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 1f4h_1_C 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 SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.136 176.117 0.032 0.000 1.063 3 I CA 0.000 61.319 61.300 0.032 0.000 1.566 3 I CB 0.000 38.010 38.000 0.017 0.000 1.214 4 T N -2.120 112.456 114.554 0.037 0.000 3.219 4 T HA 0.286 4.652 4.350 0.026 0.000 0.249 4 T C 0.683 175.406 174.700 0.037 0.000 1.099 4 T CA 0.662 62.768 62.100 0.010 0.000 0.988 4 T CB -0.390 68.482 68.868 0.007 0.000 0.999 4 T HN 0.347 nan 8.240 nan 0.000 0.550 5 D N 1.671 122.144 120.400 0.122 0.000 2.407 5 D HA 0.105 4.761 4.640 0.026 0.000 0.208 5 D C 0.993 177.472 176.300 0.298 0.000 1.083 5 D CA 0.100 54.270 54.000 0.284 0.000 0.844 5 D CB 0.536 41.543 40.800 0.344 0.000 0.967 5 D HN 0.556 nan 8.370 nan 0.000 0.506 6 S N 0.657 116.433 115.700 0.127 0.000 2.558 6 S HA 0.032 4.518 4.470 0.026 0.000 0.288 6 S C 1.693 176.352 174.600 0.099 0.000 1.318 6 S CA -0.438 57.805 58.200 0.070 0.000 1.056 6 S CB 0.862 64.075 63.200 0.022 0.000 0.853 6 S HN 0.099 nan 8.310 nan 0.000 0.505 7 L N 3.265 124.519 121.223 0.052 0.000 1.956 7 L HA -0.181 4.175 4.340 0.026 0.000 0.216 7 L C 3.115 180.022 176.870 0.062 0.000 1.073 7 L CA 2.043 56.928 54.840 0.074 0.000 0.762 7 L CB -1.490 40.556 42.059 -0.020 0.000 0.889 7 L HN 0.990 nan 8.230 nan 0.000 0.433 8 A N -0.679 122.155 122.820 0.023 0.000 1.958 8 A HA -0.218 4.118 4.320 0.026 0.000 0.221 8 A C 2.311 179.899 177.584 0.005 0.000 1.178 8 A CA 2.295 54.342 52.037 0.017 0.000 0.642 8 A CB -0.907 18.094 19.000 0.002 0.000 0.816 8 A HN 0.280 nan 8.150 nan 0.000 0.453 9 V N -1.056 118.851 119.914 -0.011 0.000 2.255 9 V HA -0.180 3.955 4.120 0.026 0.000 0.243 9 V C 2.543 178.572 176.094 -0.109 0.000 1.038 9 V CA 1.736 64.004 62.300 -0.054 0.000 1.008 9 V CB -0.554 31.234 31.823 -0.058 0.000 0.645 9 V HN 0.370 nan 8.190 nan 0.000 0.449 10 V N 0.065 119.895 119.914 -0.141 0.000 2.214 10 V HA -0.333 3.803 4.120 0.026 0.000 0.247 10 V C 2.370 178.366 176.094 -0.165 0.000 1.051 10 V CA 2.579 64.685 62.300 -0.323 0.000 1.003 10 V CB -0.619 31.040 31.823 -0.273 0.000 0.635 10 V HN 0.456 nan 8.190 nan 0.000 0.447 11 L N -0.314 120.927 121.223 0.030 0.000 2.034 11 L HA -0.366 3.989 4.340 0.026 0.000 0.217 11 L C 2.664 179.622 176.870 0.147 0.000 1.077 11 L CA 2.322 57.300 54.840 0.231 0.000 0.769 11 L CB -1.013 41.212 42.059 0.277 0.000 0.890 11 L HN 0.551 nan 8.230 nan 0.000 0.435 12 Q N 0.570 120.390 119.800 0.034 0.000 2.094 12 Q HA -0.335 4.021 4.340 0.026 0.000 0.217 12 Q C 2.154 178.098 176.000 -0.094 0.000 1.046 12 Q CA 2.295 58.082 55.803 -0.027 0.000 0.911 12 Q CB -0.516 28.189 28.738 -0.056 0.000 1.038 12 Q HN 0.184 nan 8.270 nan 0.000 0.422 13 R N 0.511 120.928 120.500 -0.137 0.000 2.170 13 R HA -0.076 4.279 4.340 0.026 0.000 0.242 13 R C 0.290 176.411 176.300 -0.299 0.000 1.145 13 R CA 1.399 57.386 56.100 -0.189 0.000 0.984 13 R CB -0.452 29.729 30.300 -0.200 0.000 0.869 13 R HN 0.585 nan 8.270 nan 0.000 0.455 14 R N 0.853 121.074 120.500 -0.464 0.000 3.209 14 R HA -0.138 4.218 4.340 0.026 0.000 0.252 14 R C -0.086 175.701 176.300 -0.855 0.000 0.958 14 R CA 0.663 56.112 56.100 -1.084 0.000 0.651 14 R CB -1.402 28.397 30.300 -0.835 0.000 1.142 14 R HN 0.355 nan 8.270 nan 0.000 0.441 15 D N -0.070 120.000 120.400 -0.550 0.000 2.264 15 D HA -0.166 4.490 4.640 0.026 0.000 0.208 15 D C 1.614 177.841 176.300 -0.122 0.000 0.966 15 D CA 1.653 55.418 54.000 -0.391 0.000 0.864 15 D CB -0.109 40.299 40.800 -0.652 0.000 0.933 15 D HN 0.737 nan 8.370 nan 0.000 0.499 16 W N 1.462 122.802 121.300 0.066 0.000 3.292 16 W HA 0.243 4.918 4.660 0.026 0.000 0.263 16 W C 0.530 177.182 176.519 0.222 0.000 1.318 16 W CA -0.319 57.190 57.345 0.274 0.000 1.663 16 W CB -0.221 29.433 29.460 0.324 0.000 1.114 16 W HN -0.206 nan 8.180 nan 0.000 0.706 17 E N 0.814 120.884 120.200 -0.216 0.000 3.105 17 E HA 0.065 4.430 4.350 0.026 0.000 0.198 17 E C -0.876 175.653 176.600 -0.119 0.000 0.976 17 E CA -0.246 56.098 56.400 -0.094 0.000 1.219 17 E CB -0.093 29.545 29.700 -0.103 0.000 1.081 17 E HN 0.036 nan 8.360 nan 0.000 0.464 18 N N 0.619 119.256 118.700 -0.106 0.000 2.478 18 N HA 0.199 4.955 4.740 0.026 0.000 0.291 18 N C -2.539 172.866 175.510 -0.174 0.000 1.090 18 N CA -1.967 50.986 53.050 -0.161 0.000 0.911 18 N CB 1.753 40.147 38.487 -0.154 0.000 1.546 18 N HN -0.242 nan 8.380 nan 0.000 0.500 19 P HA 0.209 nan 4.420 nan 0.000 0.253 19 P C 0.795 177.883 177.300 -0.355 0.000 1.260 19 P CA 0.291 63.101 63.100 -0.483 0.000 0.800 19 P CB 0.184 31.164 31.700 -1.199 0.000 1.162 20 G N -0.550 108.103 108.800 -0.244 0.000 2.838 20 G HA2 0.083 4.058 3.960 0.026 0.000 0.210 20 G HA3 0.083 4.058 3.960 0.026 0.000 0.210 20 G C 0.267 175.116 174.900 -0.086 0.000 1.153 20 G CA 0.210 45.210 45.100 -0.167 0.000 0.778 20 G HN 0.186 nan 8.290 nan 0.000 0.539 21 V N 2.075 121.963 119.914 -0.044 0.000 2.313 21 V HA 0.164 4.300 4.120 0.026 0.000 0.262 21 V C 1.400 177.591 176.094 0.162 0.000 1.011 21 V CA 0.255 62.585 62.300 0.051 0.000 0.858 21 V CB 0.417 32.255 31.823 0.026 0.000 1.104 21 V HN 0.376 nan 8.190 nan 0.000 0.456 22 T N 0.564 115.167 114.554 0.083 0.000 2.985 22 T HA 0.056 4.422 4.350 0.026 0.000 0.266 22 T C 0.570 175.309 174.700 0.065 0.000 1.076 22 T CA 1.055 63.196 62.100 0.068 0.000 1.135 22 T CB 0.222 69.091 68.868 0.001 0.000 0.890 22 T HN 0.648 nan 8.240 nan 0.000 0.480 23 Q N -0.322 119.548 119.800 0.116 0.000 2.575 23 Q HA 0.704 5.060 4.340 0.026 0.000 0.290 23 Q C -2.231 173.889 176.000 0.200 0.000 0.963 23 Q CA -1.169 54.706 55.803 0.121 0.000 0.783 23 Q CB 1.043 29.792 28.738 0.018 0.000 1.467 23 Q HN 0.087 nan 8.270 nan 0.000 0.402 24 L N 2.563 123.933 121.223 0.244 0.000 2.482 24 L HA 0.554 4.909 4.340 0.026 0.000 0.269 24 L C -0.781 176.219 176.870 0.216 0.000 0.967 24 L CA -0.139 54.859 54.840 0.262 0.000 0.851 24 L CB 1.270 43.599 42.059 0.450 0.000 1.242 24 L HN 0.870 nan 8.230 nan 0.000 0.404 25 N N 1.007 119.809 118.700 0.169 0.000 2.829 25 N HA -0.211 4.544 4.740 0.026 0.000 0.250 25 N C 0.367 176.007 175.510 0.216 0.000 1.090 25 N CA 0.744 53.893 53.050 0.165 0.000 0.781 25 N CB -0.645 37.885 38.487 0.072 0.000 1.124 25 N HN 0.675 nan 8.380 nan 0.000 0.559 26 R N 0.819 121.358 120.500 0.064 0.000 2.428 26 R HA 0.540 4.895 4.340 0.026 0.000 0.294 26 R C 0.520 176.704 176.300 -0.193 0.000 1.000 26 R CA -0.516 55.401 56.100 -0.305 0.000 0.960 26 R CB 0.710 30.753 30.300 -0.428 0.000 1.076 26 R HN 0.072 nan 8.270 nan 0.000 0.475 27 L N 2.274 123.356 121.223 -0.236 0.000 2.482 27 L HA 0.413 4.769 4.340 0.026 0.000 0.242 27 L C 0.632 177.465 176.870 -0.061 0.000 1.210 27 L CA -0.573 54.214 54.840 -0.089 0.000 0.819 27 L CB 0.277 42.316 42.059 -0.033 0.000 1.203 27 L HN 0.703 nan 8.230 nan 0.000 0.495 28 A N 0.067 122.894 122.820 0.012 0.000 2.386 28 A HA 0.585 4.921 4.320 0.026 0.000 0.248 28 A C 0.065 177.697 177.584 0.080 0.000 1.082 28 A CA -0.065 51.994 52.037 0.037 0.000 0.789 28 A CB 0.063 19.104 19.000 0.069 0.000 1.025 28 A HN 0.739 nan 8.150 nan 0.000 0.490 29 A N 1.368 124.180 122.820 -0.013 0.000 2.354 29 A HA 0.692 5.028 4.320 0.026 0.000 0.269 29 A C -0.008 177.524 177.584 -0.085 0.000 1.109 29 A CA 0.155 52.110 52.037 -0.137 0.000 0.800 29 A CB -0.115 18.799 19.000 -0.143 0.000 1.045 29 A HN 1.603 nan 8.150 nan 0.000 0.489 30 H N -0.716 118.219 119.070 -0.224 0.000 2.932 30 H HA 0.679 5.251 4.556 0.026 0.000 0.307 30 H C -3.303 171.754 175.328 -0.451 0.000 1.391 30 H CA -1.982 53.875 56.048 -0.318 0.000 1.130 30 H CB 0.283 29.767 29.762 -0.463 0.000 1.836 30 H HN 0.357 nan 8.280 nan 0.000 0.522 31 P HA 0.180 nan 4.420 nan 0.000 0.274 31 P C -2.567 174.460 177.300 -0.454 0.000 1.246 31 P CA -1.402 61.443 63.100 -0.426 0.000 0.795 31 P CB -0.337 31.084 31.700 -0.466 0.000 1.006 32 P HA 0.034 nan 4.420 nan 0.000 0.264 32 P C -0.706 176.757 177.300 0.271 0.000 1.183 32 P CA 1.068 64.159 63.100 -0.016 0.000 0.763 32 P CB 0.032 31.785 31.700 0.087 0.000 0.807 33 F N 0.722 120.802 119.950 0.217 0.000 2.579 33 F HA 0.593 5.136 4.527 0.026 0.000 0.324 33 F C 0.929 176.713 175.800 -0.026 0.000 1.058 33 F CA -0.998 57.086 58.000 0.140 0.000 0.944 33 F CB 2.315 41.362 39.000 0.078 0.000 1.245 33 F HN 0.252 nan 8.300 nan 0.000 0.477 34 A N 0.159 122.990 122.820 0.018 0.000 2.334 34 A HA 0.248 4.584 4.320 0.026 0.000 0.184 34 A C 0.575 177.922 177.584 -0.394 0.000 1.594 34 A CA 0.462 52.259 52.037 -0.400 0.000 1.162 34 A CB -0.041 18.238 19.000 -1.201 0.000 1.426 34 A HN 0.709 nan 8.150 nan 0.000 0.494 35 S N 0.162 115.732 115.700 -0.215 0.000 3.608 35 S HA -0.139 4.347 4.470 0.026 0.000 0.382 35 S C -0.211 174.344 174.600 -0.076 0.000 0.945 35 S CA 0.388 58.499 58.200 -0.148 0.000 1.256 35 S CB -1.440 61.643 63.200 -0.195 0.000 0.913 35 S HN 0.486 nan 8.310 nan 0.000 0.518 36 W N 1.974 123.256 121.300 -0.031 0.000 2.190 36 W HA 0.256 4.931 4.660 0.025 0.000 0.330 36 W C 1.212 177.716 176.519 -0.025 0.000 1.299 36 W CA -0.515 56.823 57.345 -0.012 0.000 1.215 36 W CB 0.383 29.837 29.460 -0.010 0.000 1.147 36 W HN 0.281 nan 8.180 nan 0.000 0.563 37 R N 2.301 122.938 120.500 0.228 0.000 2.694 37 R HA 0.074 4.429 4.340 0.026 0.000 0.334 37 R C -0.543 175.830 176.300 0.121 0.000 1.143 37 R CA -0.298 55.879 56.100 0.128 0.000 1.073 37 R CB -0.368 29.979 30.300 0.079 0.000 1.366 37 R HN 0.474 nan 8.270 nan 0.000 0.577 38 N N -1.696 117.096 118.700 0.153 0.000 2.554 38 N HA 0.042 4.797 4.740 0.026 0.000 0.271 38 N C -0.007 175.493 175.510 -0.017 0.000 1.081 38 N CA -0.158 52.934 53.050 0.069 0.000 0.994 38 N CB 1.374 39.902 38.487 0.067 0.000 1.641 38 N HN -0.247 nan 8.380 nan 0.000 0.511 39 S N 1.392 117.064 115.700 -0.046 0.000 2.374 39 S HA -0.153 4.333 4.470 0.026 0.000 0.227 39 S C 1.299 175.763 174.600 -0.227 0.000 1.037 39 S CA 1.172 59.305 58.200 -0.112 0.000 1.024 39 S CB -0.214 62.955 63.200 -0.051 0.000 0.861 39 S HN 0.625 nan 8.310 nan 0.000 0.456 40 E N 0.903 120.985 120.200 -0.198 0.000 2.028 40 E HA -0.114 4.251 4.350 0.026 0.000 0.191 40 E C 2.115 178.516 176.600 -0.331 0.000 0.988 40 E CA 0.866 57.109 56.400 -0.262 0.000 0.799 40 E CB -0.388 29.203 29.700 -0.181 0.000 0.755 40 E HN 0.603 nan 8.360 nan 0.000 0.447 41 E N 0.822 120.863 120.200 -0.266 0.000 2.114 41 E HA -0.223 4.142 4.350 0.026 0.000 0.199 41 E C 1.975 178.011 176.600 -0.940 0.000 1.008 41 E CA 1.289 57.511 56.400 -0.298 0.000 0.810 41 E CB -0.145 29.598 29.700 0.070 0.000 0.739 41 E HN 0.207 nan 8.360 nan 0.000 0.456 42 A N 1.036 123.033 122.820 -1.371 0.000 1.930 42 A HA -0.170 4.166 4.320 0.026 0.000 0.217 42 A C 2.070 179.077 177.584 -0.962 0.000 1.175 42 A CA 1.349 52.229 52.037 -1.928 0.000 0.627 42 A CB -0.350 17.964 19.000 -1.143 0.000 0.815 42 A HN 0.065 nan 8.150 nan 0.000 0.443 43 R N -0.249 119.868 120.500 -0.640 0.000 2.092 43 R HA -0.097 4.259 4.340 0.026 0.000 0.231 43 R C 1.536 177.602 176.300 -0.390 0.000 1.119 43 R CA 1.783 57.573 56.100 -0.517 0.000 0.970 43 R CB -0.254 29.649 30.300 -0.662 0.000 0.864 43 R HN 0.610 nan 8.270 nan 0.000 0.440 44 T N -2.263 112.081 114.554 -0.350 0.000 3.244 44 T HA 0.084 4.449 4.350 0.026 0.000 0.254 44 T C 0.136 174.771 174.700 -0.109 0.000 1.024 44 T CA 0.066 62.045 62.100 -0.201 0.000 0.920 44 T CB 0.241 69.009 68.868 -0.167 0.000 1.042 44 T HN 0.186 nan 8.240 nan 0.000 0.572 45 D N 1.174 121.491 120.400 -0.138 0.000 2.782 45 D HA -0.178 4.478 4.640 0.026 0.000 0.231 45 D C 0.616 177.040 176.300 0.206 0.000 1.163 45 D CA 0.571 54.623 54.000 0.086 0.000 0.680 45 D CB -0.787 40.088 40.800 0.124 0.000 1.062 45 D HN 0.623 nan 8.370 nan 0.000 0.425 46 R N -0.457 120.149 120.500 0.177 0.000 3.066 46 R HA 0.503 4.858 4.340 0.026 0.000 0.220 46 R C -2.125 174.463 176.300 0.480 0.000 1.122 46 R CA -0.593 55.659 56.100 0.253 0.000 1.083 46 R CB 0.136 30.532 30.300 0.159 0.000 0.947 46 R HN 0.088 nan 8.270 nan 0.000 0.495 47 P HA 0.128 nan 4.420 nan 0.000 0.309 47 P C -1.455 175.891 177.300 0.076 0.000 1.452 47 P CA -0.598 62.633 63.100 0.219 0.000 1.053 47 P CB 2.054 33.826 31.700 0.119 0.000 1.167 48 S N 2.455 117.947 115.700 -0.348 0.000 2.525 48 S HA -0.022 4.463 4.470 0.026 0.000 0.285 48 S C 1.220 175.762 174.600 -0.096 0.000 1.283 48 S CA 0.003 57.955 58.200 -0.413 0.000 1.072 48 S CB 0.015 62.797 63.200 -0.697 0.000 0.867 48 S HN 0.270 nan 8.310 nan 0.000 0.492 49 Q N 3.354 123.162 119.800 0.015 0.000 2.488 49 Q HA -0.062 4.293 4.340 0.026 0.000 0.211 49 Q C 0.909 177.009 176.000 0.167 0.000 0.967 49 Q CA 0.744 56.602 55.803 0.091 0.000 0.926 49 Q CB -0.162 28.642 28.738 0.110 0.000 0.992 49 Q HN 0.770 nan 8.270 nan 0.000 0.506 50 Q N 0.170 120.011 119.800 0.069 0.000 2.403 50 Q HA 0.123 4.479 4.340 0.026 0.000 0.203 50 Q C -0.416 175.624 176.000 0.066 0.000 0.932 50 Q CA 0.230 56.055 55.803 0.037 0.000 0.945 50 Q CB 0.453 29.119 28.738 -0.121 0.000 1.045 50 Q HN 0.052 nan 8.270 nan 0.000 0.511 51 L N 0.839 122.110 121.223 0.079 0.000 2.345 51 L HA 0.428 4.784 4.340 0.026 0.000 0.274 51 L C -1.155 175.788 176.870 0.122 0.000 0.999 51 L CA -0.391 54.493 54.840 0.074 0.000 0.849 51 L CB 1.053 43.079 42.059 -0.055 0.000 1.220 51 L HN -0.088 nan 8.230 nan 0.000 0.422 52 R N 2.316 122.926 120.500 0.185 0.000 2.589 52 R HA 0.592 4.948 4.340 0.026 0.000 0.293 52 R C -0.618 175.712 176.300 0.051 0.000 0.963 52 R CA -0.591 55.578 56.100 0.114 0.000 0.905 52 R CB 2.118 32.477 30.300 0.098 0.000 1.144 52 R HN 0.665 nan 8.270 nan 0.000 0.459 53 S N 2.490 118.205 115.700 0.026 0.000 2.565 53 S HA 0.373 4.858 4.470 0.026 0.000 0.290 53 S C 0.472 175.072 174.600 0.001 0.000 1.150 53 S CA -0.721 57.484 58.200 0.008 0.000 1.058 53 S CB 0.717 63.930 63.200 0.022 0.000 1.032 53 S HN 0.568 nan 8.310 nan 0.000 0.510 54 L N 3.237 124.461 121.223 0.003 0.000 2.965 54 L HA 0.352 4.708 4.340 0.026 0.000 0.254 54 L C -0.187 176.813 176.870 0.215 0.000 1.220 54 L CA -0.570 54.307 54.840 0.061 0.000 1.023 54 L CB -0.454 41.599 42.059 -0.011 0.000 1.355 54 L HN 0.504 nan 8.230 nan 0.000 0.545 55 N N 2.060 120.830 118.700 0.116 0.000 2.497 55 N HA 0.536 5.292 4.740 0.026 0.000 0.271 55 N C 0.491 176.100 175.510 0.165 0.000 1.142 55 N CA 0.430 53.552 53.050 0.120 0.000 0.965 55 N CB 2.067 40.572 38.487 0.029 0.000 1.077 55 N HN 0.300 nan 8.380 nan 0.000 0.462 56 G N 0.940 109.887 108.800 0.244 0.000 2.399 56 G HA2 0.045 4.020 3.960 0.026 0.000 0.256 56 G HA3 0.045 4.020 3.960 0.026 0.000 0.256 56 G C -1.684 173.425 174.900 0.347 0.000 1.236 56 G CA -0.744 44.495 45.100 0.232 0.000 0.914 56 G HN 0.420 nan 8.290 nan 0.000 0.482 57 E N -0.199 120.170 120.200 0.282 0.000 2.289 57 E HA 0.444 4.810 4.350 0.026 0.000 0.278 57 E C -1.179 175.677 176.600 0.427 0.000 1.032 57 E CA -0.103 56.484 56.400 0.313 0.000 0.854 57 E CB 1.335 31.151 29.700 0.194 0.000 1.046 57 E HN 0.349 nan 8.360 nan 0.000 0.409 58 W N 1.370 122.777 121.300 0.179 0.000 2.820 58 W HA 0.373 5.049 4.660 0.026 0.000 0.350 58 W C 0.115 176.786 176.519 0.253 0.000 1.116 58 W CA -0.777 56.707 57.345 0.232 0.000 1.146 58 W CB 1.036 30.691 29.460 0.325 0.000 1.433 58 W HN 0.219 nan 8.180 nan 0.000 0.561 59 R N 1.781 122.584 120.500 0.504 0.000 2.254 59 R HA 0.489 4.844 4.340 0.026 0.000 0.318 59 R C -1.349 175.225 176.300 0.457 0.000 1.031 59 R CA -0.686 55.649 56.100 0.392 0.000 0.905 59 R CB 1.047 31.507 30.300 0.267 0.000 1.050 59 R HN 0.300 nan 8.270 nan 0.000 0.456 60 F N 1.525 121.542 119.950 0.111 0.000 2.540 60 F HA 0.644 5.186 4.527 0.026 0.000 0.317 60 F C -1.231 174.480 175.800 -0.149 0.000 1.104 60 F CA -0.770 57.160 58.000 -0.117 0.000 0.913 60 F CB 1.948 40.765 39.000 -0.305 0.000 1.170 60 F HN 0.592 nan 8.300 nan 0.000 0.450 61 A N 4.825 126.921 122.820 -1.207 0.000 2.459 61 A HA 0.518 4.854 4.320 0.026 0.000 0.296 61 A C -2.331 174.448 177.584 -1.341 0.000 1.039 61 A CA -0.504 50.946 52.037 -0.978 0.000 0.698 61 A CB 0.486 19.276 19.000 -0.349 0.000 1.261 61 A HN 0.880 nan 8.150 nan 0.000 0.405 62 W N 2.207 122.647 121.300 -1.433 0.000 2.438 62 W HA 0.771 5.447 4.660 0.026 0.000 0.324 62 W C -1.628 173.973 176.519 -1.531 0.000 1.119 62 W CA -0.225 56.374 57.345 -1.244 0.000 1.221 62 W CB 1.198 30.160 29.460 -0.830 0.000 1.253 62 W HN 0.470 nan 8.180 nan 0.000 0.555 63 F N 5.908 125.219 119.950 -1.065 0.000 2.573 63 F HA 0.275 4.817 4.527 0.026 0.000 0.316 63 F C -1.491 173.506 175.800 -1.338 0.000 1.148 63 F CA -2.341 55.138 58.000 -0.869 0.000 0.940 63 F CB 1.647 40.303 39.000 -0.574 0.000 1.214 63 F HN 0.177 nan 8.300 nan 0.000 0.448 64 P HA 0.037 nan 4.420 nan 0.000 0.228 64 P C -0.223 176.938 177.300 -0.231 0.000 1.151 64 P CA 0.917 63.702 63.100 -0.525 0.000 0.770 64 P CB 0.427 32.101 31.700 -0.043 0.000 0.786 65 A N -1.494 121.208 122.820 -0.196 0.000 2.577 65 A HA 0.523 4.859 4.320 0.026 0.000 0.297 65 A C -2.391 175.120 177.584 -0.123 0.000 1.060 65 A CA -1.173 50.807 52.037 -0.095 0.000 0.697 65 A CB 0.598 19.598 19.000 0.001 0.000 1.281 65 A HN -0.292 nan 8.150 nan 0.000 0.402 66 P HA -0.248 nan 4.420 nan 0.000 0.215 66 P C 1.143 178.369 177.300 -0.122 0.000 1.163 66 P CA 2.134 65.129 63.100 -0.174 0.000 0.894 66 P CB -0.027 31.538 31.700 -0.225 0.000 0.791 67 E N 0.136 120.320 120.200 -0.027 0.000 2.273 67 E HA -0.166 4.199 4.350 0.026 0.000 0.198 67 E C 1.571 178.143 176.600 -0.048 0.000 1.002 67 E CA 1.477 57.877 56.400 -0.000 0.000 0.828 67 E CB -1.017 28.719 29.700 0.060 0.000 0.747 67 E HN 0.232 nan 8.360 nan 0.000 0.491 68 A N 1.479 124.258 122.820 -0.069 0.000 2.302 68 A HA 0.233 4.568 4.320 0.026 0.000 0.219 68 A C 0.795 178.239 177.584 -0.233 0.000 1.243 68 A CA -0.205 51.800 52.037 -0.053 0.000 0.856 68 A CB 0.105 19.143 19.000 0.062 0.000 0.893 68 A HN 0.054 nan 8.150 nan 0.000 0.491 69 V N 2.110 121.772 119.914 -0.419 0.000 2.567 69 V HA 0.342 4.478 4.120 0.026 0.000 0.289 69 V C -2.281 173.595 176.094 -0.364 0.000 1.049 69 V CA -1.531 60.316 62.300 -0.755 0.000 0.969 69 V CB 1.459 32.783 31.823 -0.830 0.000 0.995 69 V HN 0.347 nan 8.190 nan 0.000 0.471 70 P HA 0.420 nan 4.420 nan 0.000 0.298 70 P C 0.148 177.413 177.300 -0.059 0.000 1.314 70 P CA -0.614 62.411 63.100 -0.124 0.000 0.854 70 P CB 1.638 33.295 31.700 -0.072 0.000 1.019 71 E N 0.942 121.107 120.200 -0.059 0.000 2.273 71 E HA -0.216 4.149 4.350 0.026 0.000 0.198 71 E C 1.816 178.377 176.600 -0.065 0.000 1.002 71 E CA 1.756 58.115 56.400 -0.069 0.000 0.828 71 E CB -0.130 29.534 29.700 -0.060 0.000 0.747 71 E HN 0.516 nan 8.360 nan 0.000 0.491 72 S N -0.430 115.257 115.700 -0.022 0.000 2.368 72 S HA -0.216 4.270 4.470 0.026 0.000 0.225 72 S C 1.763 176.354 174.600 -0.015 0.000 1.030 72 S CA 1.049 59.241 58.200 -0.013 0.000 0.999 72 S CB -0.538 62.675 63.200 0.021 0.000 0.844 72 S HN 0.613 nan 8.310 nan 0.000 0.459 73 W N 2.151 123.358 121.300 -0.155 0.000 2.296 73 W HA -0.147 4.528 4.660 0.026 0.000 0.296 73 W C 1.695 178.108 176.519 -0.177 0.000 1.220 73 W CA 1.542 58.789 57.345 -0.163 0.000 1.223 73 W CB -0.722 28.589 29.460 -0.248 0.000 1.139 73 W HN 0.378 nan 8.180 nan 0.000 0.534 74 L N -0.247 120.677 121.223 -0.500 0.000 2.217 74 L HA -0.115 4.241 4.340 0.026 0.000 0.211 74 L C 2.040 178.645 176.870 -0.441 0.000 1.107 74 L CA 1.740 56.157 54.840 -0.705 0.000 0.783 74 L CB -0.519 41.186 42.059 -0.589 0.000 0.919 74 L HN -0.086 nan 8.230 nan 0.000 0.442 75 E N -1.926 118.115 120.200 -0.264 0.000 2.539 75 E HA 0.090 4.456 4.350 0.026 0.000 0.215 75 E C -0.472 176.058 176.600 -0.116 0.000 0.965 75 E CA -0.098 56.207 56.400 -0.158 0.000 1.019 75 E CB 0.901 30.543 29.700 -0.096 0.000 1.059 75 E HN 0.270 nan 8.360 nan 0.000 0.496 76 C N -0.017 119.212 119.300 -0.118 0.000 3.241 76 C HA 0.358 4.833 4.460 0.026 0.000 0.348 76 C C -0.835 174.166 174.990 0.017 0.000 1.180 76 C CA -1.087 57.904 59.018 -0.045 0.000 1.273 76 C CB 0.687 28.416 27.740 -0.017 0.000 1.620 76 C HN 0.177 nan 8.230 nan 0.000 0.510 77 D N 1.290 121.723 120.400 0.056 0.000 2.300 77 D HA 0.287 4.943 4.640 0.026 0.000 0.235 77 D C -0.357 176.034 176.300 0.151 0.000 1.338 77 D CA 0.549 54.632 54.000 0.137 0.000 0.903 77 D CB 0.441 41.311 40.800 0.117 0.000 1.180 77 D HN 0.523 nan 8.370 nan 0.000 0.485 78 L N 1.300 122.622 121.223 0.164 0.000 2.365 78 L HA 0.199 4.555 4.340 0.026 0.000 0.273 78 L C -1.387 175.536 176.870 0.088 0.000 1.000 78 L CA -1.808 53.109 54.840 0.127 0.000 0.819 78 L CB 2.157 44.302 42.059 0.142 0.000 1.284 78 L HN 0.168 nan 8.230 nan 0.000 0.418 79 P HA -0.280 nan 4.420 nan 0.000 0.208 79 P C 0.983 178.311 177.300 0.047 0.000 0.999 79 P CA 1.561 64.692 63.100 0.050 0.000 0.988 79 P CB 0.150 31.874 31.700 0.041 0.000 0.745 80 E N 0.589 120.812 120.200 0.038 0.000 2.108 80 E HA -0.115 4.251 4.350 0.026 0.000 0.203 80 E C 1.173 177.790 176.600 0.027 0.000 1.022 80 E CA 1.223 57.636 56.400 0.023 0.000 0.823 80 E CB -1.729 27.975 29.700 0.005 0.000 0.744 80 E HN 0.438 nan 8.360 nan 0.000 0.456 81 A N 1.965 124.804 122.820 0.032 0.000 2.616 81 A HA -0.063 4.273 4.320 0.026 0.000 0.242 81 A C -0.301 177.333 177.584 0.083 0.000 0.987 81 A CA 0.880 52.940 52.037 0.038 0.000 0.800 81 A CB -0.314 18.732 19.000 0.077 0.000 0.883 81 A HN 0.244 nan 8.150 nan 0.000 0.496 82 D N 0.434 120.908 120.400 0.123 0.000 2.437 82 D HA 0.575 5.230 4.640 0.026 0.000 0.259 82 D C -0.254 176.182 176.300 0.227 0.000 1.118 82 D CA -0.327 53.784 54.000 0.185 0.000 1.017 82 D CB 0.686 41.638 40.800 0.253 0.000 1.120 82 D HN 0.314 nan 8.370 nan 0.000 0.541 83 T N 0.789 115.469 114.554 0.211 0.000 3.254 83 T HA 0.321 4.686 4.350 0.026 0.000 0.385 83 T C -0.234 174.602 174.700 0.226 0.000 1.528 83 T CA -0.449 61.781 62.100 0.218 0.000 1.212 83 T CB 0.190 69.153 68.868 0.159 0.000 1.145 83 T HN 0.069 nan 8.240 nan 0.000 0.631 84 V N 2.915 123.010 119.914 0.302 0.000 3.133 84 V HA 0.398 4.534 4.120 0.026 0.000 0.305 84 V C 0.429 176.699 176.094 0.294 0.000 1.084 84 V CA -0.301 62.181 62.300 0.303 0.000 1.089 84 V CB 1.853 33.866 31.823 0.316 0.000 1.073 84 V HN 0.462 nan 8.190 nan 0.000 0.477 85 V N 4.126 124.219 119.914 0.298 0.000 2.716 85 V HA 0.613 4.749 4.120 0.026 0.000 0.304 85 V C -0.578 175.608 176.094 0.154 0.000 1.053 85 V CA -0.065 62.374 62.300 0.232 0.000 0.984 85 V CB 2.029 33.955 31.823 0.171 0.000 1.021 85 V HN 0.600 nan 8.190 nan 0.000 0.467 86 V N 7.012 126.945 119.914 0.032 0.000 2.686 86 V HA 0.493 4.628 4.120 0.026 0.000 0.306 86 V C -2.479 173.515 176.094 -0.167 0.000 1.065 86 V CA -1.426 60.745 62.300 -0.214 0.000 0.894 86 V CB 2.315 33.685 31.823 -0.756 0.000 1.004 86 V HN 0.859 nan 8.190 nan 0.000 0.424 87 P HA 0.570 nan 4.420 nan 0.000 0.277 87 P C -0.691 176.504 177.300 -0.174 0.000 1.240 87 P CA -0.078 62.870 63.100 -0.253 0.000 0.798 87 P CB 1.593 33.158 31.700 -0.224 0.000 0.979 88 S N 0.466 116.055 115.700 -0.185 0.000 2.669 88 S HA 0.385 4.871 4.470 0.026 0.000 0.266 88 S C -1.422 173.050 174.600 -0.213 0.000 1.149 88 S CA -1.055 57.033 58.200 -0.186 0.000 0.842 88 S CB 0.128 63.189 63.200 -0.231 0.000 1.160 88 S HN 0.392 nan 8.310 nan 0.000 0.487 89 N N 1.092 119.617 118.700 -0.292 0.000 2.446 89 N HA 0.422 5.177 4.740 0.026 0.000 0.265 89 N C 0.382 175.697 175.510 -0.325 0.000 0.975 89 N CA -0.842 52.009 53.050 -0.332 0.000 0.928 89 N CB 0.715 39.009 38.487 -0.321 0.000 1.160 89 N HN 0.831 nan 8.380 nan 0.000 0.495 90 W N 2.458 123.606 121.300 -0.254 0.000 2.387 90 W HA -0.120 4.556 4.660 0.026 0.000 0.272 90 W C 0.961 177.533 176.519 0.089 0.000 1.224 90 W CA 0.835 58.082 57.345 -0.162 0.000 1.210 90 W CB -0.459 28.852 29.460 -0.247 0.000 1.125 90 W HN 0.478 nan 8.180 nan 0.000 0.572 91 Q N 0.373 120.218 119.800 0.075 0.000 2.124 91 Q HA -0.161 4.195 4.340 0.026 0.000 0.202 91 Q C 2.219 178.269 176.000 0.083 0.000 0.977 91 Q CA 2.147 58.018 55.803 0.113 0.000 0.850 91 Q CB -0.644 28.037 28.738 -0.094 0.000 0.901 91 Q HN 0.242 nan 8.270 nan 0.000 0.429 92 M N -0.795 118.809 119.600 0.006 0.000 2.229 92 M HA -0.111 4.384 4.480 0.026 0.000 0.264 92 M C 1.298 177.781 176.300 0.306 0.000 1.063 92 M CA 1.621 56.962 55.300 0.069 0.000 1.114 92 M CB -0.968 31.641 32.600 0.014 0.000 1.387 92 M HN 0.386 nan 8.290 nan 0.000 0.420 93 H N -0.878 118.299 119.070 0.178 0.000 2.547 93 H HA 0.210 4.781 4.556 0.026 0.000 0.266 93 H C 1.315 176.662 175.328 0.033 0.000 0.988 93 H CA 0.163 56.325 56.048 0.189 0.000 1.147 93 H CB 0.241 30.258 29.762 0.424 0.000 1.365 93 H HN 0.603 nan 8.280 nan 0.000 0.589 94 G N 0.430 109.343 108.800 0.188 0.000 2.175 94 G HA2 -0.356 3.620 3.960 0.026 0.000 0.244 94 G HA3 -0.356 3.620 3.960 0.026 0.000 0.244 94 G C 0.456 175.291 174.900 -0.108 0.000 0.982 94 G CA 0.340 45.444 45.100 0.006 0.000 0.641 94 G HN 0.428 nan 8.290 nan 0.000 0.527 95 Y N 1.980 122.297 120.300 0.028 0.000 2.151 95 Y HA 0.137 4.702 4.550 0.026 0.000 0.284 95 Y C 1.799 177.402 175.900 -0.494 0.000 1.166 95 Y CA 1.823 59.739 58.100 -0.307 0.000 1.163 95 Y CB -0.109 38.105 38.460 -0.410 0.000 0.974 95 Y HN 0.666 nan 8.280 nan 0.000 0.511 96 D N -2.238 118.211 120.400 0.082 0.000 2.677 96 D HA 0.529 5.184 4.640 0.026 0.000 0.298 96 D C -1.051 175.362 176.300 0.189 0.000 1.250 96 D CA -0.802 53.255 54.000 0.096 0.000 0.888 96 D CB 0.821 41.792 40.800 0.285 0.000 1.397 96 D HN 0.006 nan 8.370 nan 0.000 0.461 97 A N -0.191 122.750 122.820 0.201 0.000 2.340 97 A HA 0.664 4.999 4.320 0.026 0.000 0.268 97 A C -2.368 175.300 177.584 0.141 0.000 1.100 97 A CA -1.105 51.040 52.037 0.181 0.000 0.803 97 A CB 0.043 19.187 19.000 0.239 0.000 1.043 97 A HN 0.521 nan 8.150 nan 0.000 0.488 98 P HA 0.499 nan 4.420 nan 0.000 0.292 98 P C -0.972 176.480 177.300 0.253 0.000 1.287 98 P CA -0.209 62.887 63.100 -0.006 0.000 0.800 98 P CB 0.888 32.380 31.700 -0.346 0.000 0.945 99 I N 3.669 124.449 120.570 0.350 0.000 2.385 99 I HA 0.222 4.408 4.170 0.026 0.000 0.294 99 I C -0.016 176.301 176.117 0.333 0.000 0.988 99 I CA -0.672 60.845 61.300 0.362 0.000 1.265 99 I CB 0.741 38.888 38.000 0.244 0.000 1.388 99 I HN 0.312 nan 8.210 nan 0.000 0.480 100 Y N 6.405 126.714 120.300 0.014 0.000 2.717 100 Y HA 0.492 5.057 4.550 0.026 0.000 0.329 100 Y C -0.048 175.670 175.900 -0.303 0.000 1.017 100 Y CA -0.290 57.476 58.100 -0.556 0.000 1.275 100 Y CB 0.754 38.032 38.460 -1.970 0.000 1.109 100 Y HN 0.611 nan 8.280 nan 0.000 0.511 101 T N 3.258 117.168 114.554 -1.072 0.000 2.930 101 T HA 0.321 4.686 4.350 0.026 0.000 0.290 101 T C -0.010 174.123 174.700 -0.944 0.000 1.052 101 T CA -0.493 61.099 62.100 -0.847 0.000 1.017 101 T CB 1.697 70.321 68.868 -0.408 0.000 1.137 101 T HN 0.825 nan 8.240 nan 0.000 0.511 102 N N 1.098 119.381 118.700 -0.695 0.000 2.518 102 N HA 0.135 4.891 4.740 0.026 0.000 0.230 102 N C 1.467 176.658 175.510 -0.531 0.000 1.022 102 N CA 0.242 52.958 53.050 -0.558 0.000 1.172 102 N CB 0.237 38.401 38.487 -0.538 0.000 1.498 102 N HN 0.326 nan 8.380 nan 0.000 0.602 103 V N 0.942 120.478 119.914 -0.631 0.000 2.300 103 V HA 0.006 4.141 4.120 0.026 0.000 0.233 103 V C 0.595 176.354 176.094 -0.559 0.000 1.052 103 V CA 0.894 62.736 62.300 -0.765 0.000 1.026 103 V CB -0.663 30.641 31.823 -0.866 0.000 0.661 103 V HN 0.402 nan 8.190 nan 0.000 0.470 104 T N 1.052 115.356 114.554 -0.416 0.000 2.723 104 T HA -0.098 4.268 4.350 0.026 0.000 0.260 104 T C -0.493 174.077 174.700 -0.215 0.000 1.019 104 T CA 0.674 62.623 62.100 -0.252 0.000 1.155 104 T CB -0.550 68.189 68.868 -0.215 0.000 1.024 104 T HN 0.206 nan 8.240 nan 0.000 0.491 105 Y N 5.815 126.003 120.300 -0.187 0.000 2.480 105 Y HA 0.151 4.716 4.550 0.025 0.000 0.338 105 Y C -0.768 174.987 175.900 -0.243 0.000 1.220 105 Y CA -1.970 56.007 58.100 -0.206 0.000 1.430 105 Y CB 0.170 38.500 38.460 -0.216 0.000 1.311 105 Y HN 0.505 nan 8.280 nan 0.000 0.575 106 P HA -0.154 nan 4.420 nan 0.000 0.218 106 P C 0.277 177.344 177.300 -0.388 0.000 1.148 106 P CA 1.495 64.463 63.100 -0.220 0.000 0.822 106 P CB 0.156 31.718 31.700 -0.231 0.000 0.784 107 I N -3.346 116.916 120.570 -0.514 0.000 3.062 107 I HA 0.422 4.607 4.170 0.026 0.000 0.316 107 I C -0.527 175.423 176.117 -0.279 0.000 1.041 107 I CA -1.015 59.962 61.300 -0.539 0.000 1.069 107 I CB 1.376 38.918 38.000 -0.764 0.000 1.300 107 I HN -0.343 nan 8.210 nan 0.000 0.518 108 T N 2.402 116.838 114.554 -0.197 0.000 2.851 108 T HA 0.269 4.634 4.350 0.026 0.000 0.298 108 T C 0.332 175.000 174.700 -0.053 0.000 0.977 108 T CA -0.641 61.407 62.100 -0.087 0.000 1.126 108 T CB 0.833 69.682 68.868 -0.031 0.000 0.916 108 T HN 0.445 nan 8.240 nan 0.000 0.529 109 V N 3.137 123.037 119.914 -0.023 0.000 2.242 109 V HA 0.234 4.369 4.120 0.026 0.000 0.242 109 V C 0.625 176.770 176.094 0.086 0.000 1.240 109 V CA -0.441 61.879 62.300 0.033 0.000 1.211 109 V CB -1.353 30.460 31.823 -0.016 0.000 1.338 109 V HN 0.823 nan 8.190 nan 0.000 0.499 110 N N 4.596 123.408 118.700 0.187 0.000 2.726 110 N HA 0.348 5.103 4.740 0.026 0.000 0.253 110 N C -3.117 172.385 175.510 -0.012 0.000 1.530 110 N CA -1.567 51.573 53.050 0.151 0.000 0.772 110 N CB 2.135 40.783 38.487 0.268 0.000 1.220 110 N HN 0.252 nan 8.380 nan 0.000 0.508 111 P HA 0.251 nan 4.420 nan 0.000 0.271 111 P C -2.201 174.665 177.300 -0.723 0.000 1.216 111 P CA -0.963 61.627 63.100 -0.849 0.000 0.771 111 P CB 0.613 31.666 31.700 -1.078 0.000 0.864 112 P HA 0.189 nan 4.420 nan 0.000 0.259 112 P C -0.415 176.749 177.300 -0.226 0.000 1.530 112 P CA -0.324 62.484 63.100 -0.487 0.000 1.022 112 P CB -0.096 31.441 31.700 -0.271 0.000 1.514 113 F N -0.137 119.915 119.950 0.170 0.000 2.506 113 F HA 0.192 4.735 4.527 0.027 0.000 0.351 113 F C 1.178 177.165 175.800 0.312 0.000 1.136 113 F CA -0.230 57.891 58.000 0.200 0.000 1.298 113 F CB 0.461 39.528 39.000 0.113 0.000 1.145 113 F HN -0.251 nan 8.300 nan 0.000 0.593 114 V N 2.879 123.099 119.914 0.509 0.000 2.876 114 V HA 0.390 4.525 4.120 0.026 0.000 0.312 114 V C -2.097 174.202 176.094 0.342 0.000 1.085 114 V CA -2.176 60.359 62.300 0.391 0.000 0.945 114 V CB 2.308 34.429 31.823 0.496 0.000 1.017 114 V HN 0.501 nan 8.190 nan 0.000 0.428 115 P HA 0.018 nan 4.420 nan 0.000 0.267 115 P C 0.844 178.297 177.300 0.254 0.000 1.195 115 P CA 0.436 63.657 63.100 0.201 0.000 0.773 115 P CB 0.430 32.209 31.700 0.132 0.000 0.837 116 T N -0.388 114.279 114.554 0.188 0.000 2.812 116 T HA -0.104 4.262 4.350 0.026 0.000 0.264 116 T C 0.238 175.047 174.700 0.182 0.000 1.042 116 T CA 0.895 63.103 62.100 0.180 0.000 1.140 116 T CB -0.586 68.355 68.868 0.121 0.000 0.870 116 T HN 0.386 nan 8.240 nan 0.000 0.445 117 E N 2.975 123.281 120.200 0.178 0.000 1.944 117 E HA 0.366 4.731 4.350 0.026 0.000 0.272 117 E C -0.637 176.116 176.600 0.255 0.000 1.195 117 E CA -0.149 56.358 56.400 0.178 0.000 0.926 117 E CB 0.118 29.927 29.700 0.181 0.000 1.051 117 E HN 0.434 nan 8.360 nan 0.000 0.404 118 N N 3.375 122.180 118.700 0.174 0.000 2.540 118 N HA 0.275 5.031 4.740 0.026 0.000 0.275 118 N C -2.767 172.716 175.510 -0.046 0.000 1.053 118 N CA -2.612 50.549 53.050 0.186 0.000 0.876 118 N CB 1.153 39.792 38.487 0.255 0.000 1.284 118 N HN -0.027 nan 8.380 nan 0.000 0.518 119 P HA -0.011 nan 4.420 nan 0.000 0.243 119 P C -0.701 176.445 177.300 -0.257 0.000 1.134 119 P CA 0.508 63.494 63.100 -0.191 0.000 1.109 119 P CB -0.451 31.417 31.700 0.280 0.000 1.140 120 T N 2.428 116.646 114.554 -0.559 0.000 2.832 120 T HA 0.469 4.835 4.350 0.026 0.000 0.296 120 T C 0.889 175.147 174.700 -0.737 0.000 0.968 120 T CA -0.277 61.561 62.100 -0.438 0.000 1.107 120 T CB 1.044 69.716 68.868 -0.327 0.000 0.916 120 T HN 0.280 nan 8.240 nan 0.000 0.517 121 G N 0.886 109.415 108.800 -0.453 0.000 2.478 121 G HA2 0.485 4.461 3.960 0.026 0.000 0.317 121 G HA3 0.485 4.461 3.960 0.026 0.000 0.317 121 G C -0.592 174.273 174.900 -0.058 0.000 1.259 121 G CA -0.479 44.321 45.100 -0.499 0.000 0.933 121 G HN 0.857 nan 8.290 nan 0.000 0.478 122 C N 3.050 122.076 119.300 -0.457 0.000 2.239 122 C HA 0.513 4.989 4.460 0.026 0.000 0.323 122 C C -0.460 174.579 174.990 0.081 0.000 1.205 122 C CA -0.945 57.853 59.018 -0.366 0.000 1.584 122 C CB -1.706 25.401 27.740 -1.055 0.000 2.201 122 C HN 0.621 nan 8.230 nan 0.000 0.475 123 Y N 1.825 122.443 120.300 0.530 0.000 2.403 123 Y HA 0.688 5.253 4.550 0.026 0.000 0.323 123 Y C 0.831 177.255 175.900 0.874 0.000 1.226 123 Y CA -0.271 58.287 58.100 0.763 0.000 1.235 123 Y CB 1.307 40.180 38.460 0.689 0.000 1.248 123 Y HN 0.673 nan 8.280 nan 0.000 0.489 124 S N 1.604 117.882 115.700 0.963 0.000 2.565 124 S HA 0.759 5.244 4.470 0.026 0.000 0.274 124 S C -1.805 172.848 174.600 0.088 0.000 1.144 124 S CA -0.888 57.634 58.200 0.537 0.000 0.849 124 S CB 1.562 65.068 63.200 0.511 0.000 1.103 124 S HN 0.917 nan 8.310 nan 0.000 0.455 125 L N 0.530 121.667 121.223 -0.142 0.000 2.556 125 L HA 0.792 5.147 4.340 0.026 0.000 0.257 125 L C -1.611 175.233 176.870 -0.042 0.000 0.955 125 L CA -0.271 54.357 54.840 -0.354 0.000 0.850 125 L CB 2.213 43.521 42.059 -1.251 0.000 1.398 125 L HN 0.850 nan 8.230 nan 0.000 0.412 126 T N 4.492 119.038 114.554 -0.013 0.000 2.756 126 T HA 0.684 5.049 4.350 0.026 0.000 0.290 126 T C -0.755 174.030 174.700 0.142 0.000 0.985 126 T CA -0.114 62.029 62.100 0.071 0.000 0.955 126 T CB 0.283 69.146 68.868 -0.009 0.000 0.930 126 T HN 0.482 nan 8.240 nan 0.000 0.451 127 F N 0.577 120.451 119.950 -0.128 0.000 2.664 127 F HA 0.758 5.301 4.527 0.026 0.000 0.317 127 F C -0.792 174.948 175.800 -0.100 0.000 1.108 127 F CA -1.571 56.358 58.000 -0.118 0.000 0.957 127 F CB 1.278 40.195 39.000 -0.137 0.000 1.365 127 F HN 0.216 nan 8.300 nan 0.000 0.475 128 N N -0.103 118.528 118.700 -0.115 0.000 2.466 128 N HA 0.712 5.467 4.740 0.026 0.000 0.294 128 N C -1.673 173.740 175.510 -0.162 0.000 1.129 128 N CA -0.749 52.184 53.050 -0.194 0.000 0.931 128 N CB 2.183 40.595 38.487 -0.125 0.000 1.193 128 N HN 0.546 nan 8.380 nan 0.000 0.500 129 V N 0.739 120.526 119.914 -0.212 0.000 2.567 129 V HA 0.168 4.304 4.120 0.026 0.000 0.298 129 V C -0.814 175.147 176.094 -0.223 0.000 1.047 129 V CA -0.950 61.215 62.300 -0.225 0.000 0.880 129 V CB 1.377 33.129 31.823 -0.118 0.000 1.009 129 V HN 0.850 nan 8.190 nan 0.000 0.429 130 D N 2.865 123.067 120.400 -0.330 0.000 2.382 130 D HA 0.133 4.788 4.640 0.026 0.000 0.240 130 D C 1.311 177.557 176.300 -0.089 0.000 1.146 130 D CA 0.081 53.961 54.000 -0.201 0.000 0.897 130 D CB 1.043 41.718 40.800 -0.208 0.000 1.197 130 D HN 0.698 nan 8.370 nan 0.000 0.432 131 E N 1.532 121.717 120.200 -0.025 0.000 2.068 131 E HA -0.359 4.006 4.350 0.026 0.000 0.207 131 E C 2.005 178.658 176.600 0.089 0.000 1.032 131 E CA 1.747 58.164 56.400 0.028 0.000 0.839 131 E CB -0.755 28.956 29.700 0.018 0.000 0.758 131 E HN 0.635 nan 8.360 nan 0.000 0.457 132 S N 0.728 116.489 115.700 0.102 0.000 2.413 132 S HA -0.229 4.257 4.470 0.026 0.000 0.237 132 S C 1.543 176.240 174.600 0.161 0.000 1.044 132 S CA 1.430 59.714 58.200 0.140 0.000 1.024 132 S CB -0.850 62.414 63.200 0.107 0.000 0.829 132 S HN 0.407 nan 8.310 nan 0.000 0.475 133 W N 2.292 123.460 121.300 -0.219 0.000 2.595 133 W HA 0.305 4.981 4.660 0.026 0.000 0.257 133 W C 1.986 178.554 176.519 0.081 0.000 1.267 133 W CA 0.029 57.189 57.345 -0.309 0.000 1.300 133 W CB -0.513 28.852 29.460 -0.159 0.000 1.120 133 W HN 0.411 nan 8.180 nan 0.000 0.618 134 L N -2.350 119.029 121.223 0.260 0.000 2.556 134 L HA 0.246 4.602 4.340 0.026 0.000 0.226 134 L C 1.986 178.934 176.870 0.130 0.000 1.089 134 L CA 0.201 55.152 54.840 0.186 0.000 0.864 134 L CB -0.964 41.184 42.059 0.148 0.000 1.067 134 L HN -0.191 nan 8.230 nan 0.000 0.477 135 Q N 1.429 121.298 119.800 0.114 0.000 2.079 135 Q HA -0.033 4.323 4.340 0.026 0.000 0.200 135 Q C 0.825 176.877 176.000 0.087 0.000 0.974 135 Q CA 1.395 57.248 55.803 0.082 0.000 0.840 135 Q CB 0.324 29.100 28.738 0.064 0.000 0.898 135 Q HN 0.790 nan 8.270 nan 0.000 0.430 136 E N -3.125 117.147 120.200 0.120 0.000 2.391 136 E HA 0.511 4.877 4.350 0.026 0.000 0.256 136 E C 0.147 176.852 176.600 0.176 0.000 0.975 136 E CA -0.600 55.868 56.400 0.113 0.000 0.881 136 E CB 0.322 30.069 29.700 0.079 0.000 1.728 136 E HN 0.149 nan 8.360 nan 0.000 0.446 137 G N 0.536 109.368 108.800 0.053 0.000 2.645 137 G HA2 -0.239 3.737 3.960 0.026 0.000 0.239 137 G HA3 -0.239 3.737 3.960 0.026 0.000 0.239 137 G C -0.662 174.152 174.900 -0.143 0.000 1.331 137 G CA 0.433 45.444 45.100 -0.148 0.000 0.890 137 G HN 0.910 nan 8.290 nan 0.000 0.572 138 Q N -1.338 118.245 119.800 -0.361 0.000 2.331 138 Q HA 0.710 5.065 4.340 0.026 0.000 0.272 138 Q C -1.093 174.790 176.000 -0.195 0.000 1.062 138 Q CA -0.501 55.201 55.803 -0.168 0.000 0.806 138 Q CB 2.057 30.715 28.738 -0.134 0.000 1.312 138 Q HN 0.677 nan 8.270 nan 0.000 0.431 139 T N 3.801 118.394 114.554 0.065 0.000 2.809 139 T HA 0.534 4.899 4.350 0.026 0.000 0.296 139 T C -0.725 174.081 174.700 0.177 0.000 1.015 139 T CA -0.723 61.497 62.100 0.200 0.000 0.954 139 T CB 0.525 69.648 68.868 0.426 0.000 0.950 139 T HN 0.717 nan 8.240 nan 0.000 0.450 140 R N 2.959 123.541 120.500 0.136 0.000 2.854 140 R HA 0.778 5.134 4.340 0.026 0.000 0.271 140 R C -1.291 175.078 176.300 0.116 0.000 0.996 140 R CA -1.022 55.153 56.100 0.125 0.000 0.961 140 R CB 1.560 31.912 30.300 0.086 0.000 1.182 140 R HN 0.492 nan 8.270 nan 0.000 0.479 141 I N 3.080 123.715 120.570 0.107 0.000 2.474 141 I HA 0.444 4.629 4.170 0.026 0.000 0.294 141 I C -1.011 175.099 176.117 -0.012 0.000 1.005 141 I CA -1.313 59.989 61.300 0.003 0.000 1.113 141 I CB 1.656 39.637 38.000 -0.033 0.000 1.289 141 I HN 0.641 nan 8.210 nan 0.000 0.436 142 I N 7.051 127.490 120.570 -0.219 0.000 2.533 142 I HA 0.333 4.519 4.170 0.026 0.000 0.290 142 I C -1.461 174.436 176.117 -0.367 0.000 1.056 142 I CA -0.597 60.612 61.300 -0.152 0.000 1.057 142 I CB 1.873 39.820 38.000 -0.089 0.000 1.240 142 I HN 0.289 nan 8.210 nan 0.000 0.423 143 F N 3.491 123.388 119.950 -0.090 0.000 2.496 143 F HA 0.382 4.925 4.527 0.026 0.000 0.341 143 F C 0.910 176.552 175.800 -0.264 0.000 1.134 143 F CA -1.252 56.612 58.000 -0.228 0.000 0.968 143 F CB 0.585 39.366 39.000 -0.366 0.000 1.205 143 F HN 0.375 nan 8.300 nan 0.000 0.436 144 D N 2.185 122.492 120.400 -0.155 0.000 2.312 144 D HA 0.105 4.761 4.640 0.026 0.000 0.211 144 D C 0.923 177.003 176.300 -0.366 0.000 0.964 144 D CA 0.892 54.742 54.000 -0.249 0.000 0.877 144 D CB 0.578 41.181 40.800 -0.327 0.000 0.924 144 D HN 0.716 nan 8.370 nan 0.000 0.515 145 G N 0.279 108.762 108.800 -0.530 0.000 2.029 145 G HA2 0.402 4.378 3.960 0.026 0.000 0.293 145 G HA3 0.402 4.378 3.960 0.026 0.000 0.293 145 G C -1.251 173.140 174.900 -0.848 0.000 1.362 145 G CA -0.391 44.165 45.100 -0.907 0.000 1.226 145 G HN -0.048 nan 8.290 nan 0.000 0.599 146 V N 2.482 122.177 119.914 -0.364 0.000 2.483 146 V HA 0.600 4.735 4.120 0.026 0.000 0.297 146 V C -0.775 175.319 176.094 0.001 0.000 1.027 146 V CA -1.103 61.013 62.300 -0.307 0.000 0.855 146 V CB 1.905 33.205 31.823 -0.872 0.000 0.995 146 V HN 0.677 nan 8.190 nan 0.000 0.424 147 N N 2.360 121.096 118.700 0.059 0.000 2.399 147 N HA 0.314 5.070 4.740 0.026 0.000 0.284 147 N C 0.574 176.003 175.510 -0.135 0.000 1.025 147 N CA 0.130 53.165 53.050 -0.025 0.000 0.885 147 N CB 2.421 40.811 38.487 -0.163 0.000 1.339 147 N HN 0.560 nan 8.380 nan 0.000 0.487 148 S N 2.226 117.874 115.700 -0.087 0.000 2.492 148 S HA 0.519 5.005 4.470 0.026 0.000 0.218 148 S C 0.391 175.033 174.600 0.071 0.000 1.016 148 S CA 0.588 58.789 58.200 0.003 0.000 0.916 148 S CB 0.043 63.263 63.200 0.034 0.000 0.791 148 S HN 0.762 nan 8.310 nan 0.000 0.513 149 A N 0.361 123.238 122.820 0.095 0.000 2.581 149 A HA 0.751 5.087 4.320 0.026 0.000 0.290 149 A C -1.462 176.258 177.584 0.227 0.000 1.119 149 A CA -0.884 51.205 52.037 0.088 0.000 0.670 149 A CB 0.703 19.736 19.000 0.054 0.000 1.280 149 A HN 1.128 nan 8.150 nan 0.000 0.425 150 F N -1.130 118.645 119.950 -0.292 0.000 2.688 150 F HA 0.680 5.223 4.527 0.025 0.000 0.308 150 F C -1.181 174.547 175.800 -0.119 0.000 1.117 150 F CA -0.777 57.145 58.000 -0.129 0.000 0.976 150 F CB 1.046 39.944 39.000 -0.171 0.000 1.291 150 F HN 0.648 nan 8.300 nan 0.000 0.439 151 H N 2.490 121.695 119.070 0.225 0.000 2.467 151 H HA 0.706 5.277 4.556 0.026 0.000 0.331 151 H C -1.290 174.002 175.328 -0.059 0.000 1.120 151 H CA -0.580 55.534 56.048 0.111 0.000 1.270 151 H CB 2.358 32.274 29.762 0.257 0.000 1.466 151 H HN 0.814 nan 8.280 nan 0.000 0.504 152 L N 3.234 124.208 121.223 -0.415 0.000 2.386 152 L HA 0.416 4.772 4.340 0.026 0.000 0.271 152 L C -1.710 174.727 176.870 -0.721 0.000 0.993 152 L CA -0.469 54.118 54.840 -0.423 0.000 0.819 152 L CB 1.504 43.248 42.059 -0.524 0.000 1.294 152 L HN 0.504 nan 8.230 nan 0.000 0.414 153 W N 4.892 126.134 121.300 -0.096 0.000 3.097 153 W HA 0.504 5.179 4.660 0.026 0.000 0.335 153 W C -1.337 175.155 176.519 -0.045 0.000 1.114 153 W CA -0.756 56.550 57.345 -0.064 0.000 1.231 153 W CB 1.870 31.305 29.460 -0.042 0.000 1.388 153 W HN 0.641 nan 8.180 nan 0.000 0.485 154 C N 5.576 124.986 119.300 0.184 0.000 2.441 154 C HA 0.394 4.869 4.460 0.026 0.000 0.318 154 C C 0.475 175.598 174.990 0.222 0.000 1.222 154 C CA -0.236 58.889 59.018 0.177 0.000 1.474 154 C CB 0.253 28.056 27.740 0.106 0.000 2.125 154 C HN 0.802 nan 8.230 nan 0.000 0.479 155 N N 3.381 122.172 118.700 0.152 0.000 2.710 155 N HA -0.193 4.562 4.740 0.026 0.000 0.249 155 N C 0.949 176.520 175.510 0.102 0.000 1.059 155 N CA 1.963 55.070 53.050 0.096 0.000 0.720 155 N CB -1.359 37.180 38.487 0.087 0.000 0.983 155 N HN 1.918 nan 8.380 nan 0.000 0.544 156 G N -1.216 107.636 108.800 0.086 0.000 2.162 156 G HA2 -0.371 3.605 3.960 0.026 0.000 0.260 156 G HA3 -0.371 3.605 3.960 0.026 0.000 0.260 156 G C 0.124 175.178 174.900 0.255 0.000 0.976 156 G CA 0.794 45.934 45.100 0.067 0.000 0.655 156 G HN 0.614 nan 8.290 nan 0.000 0.533 157 R N -1.597 119.131 120.500 0.380 0.000 2.711 157 R HA 0.513 4.868 4.340 0.026 0.000 0.284 157 R C -0.554 176.039 176.300 0.487 0.000 0.968 157 R CA -0.961 55.427 56.100 0.480 0.000 0.924 157 R CB 1.268 31.840 30.300 0.454 0.000 1.162 157 R HN 0.180 nan 8.270 nan 0.000 0.465 158 W N 3.187 124.585 121.300 0.164 0.000 2.356 158 W HA 0.180 4.856 4.660 0.026 0.000 0.311 158 W C 0.136 176.532 176.519 -0.205 0.000 1.328 158 W CA -0.143 56.959 57.345 -0.405 0.000 1.251 158 W CB 0.779 29.959 29.460 -0.467 0.000 1.280 158 W HN 0.384 nan 8.180 nan 0.000 0.524 159 V N 5.341 124.606 119.914 -1.082 0.000 2.581 159 V HA 0.564 4.699 4.120 0.026 0.000 0.240 159 V C 1.085 176.240 176.094 -1.566 0.000 1.054 159 V CA 0.845 62.457 62.300 -1.147 0.000 1.076 159 V CB -0.860 30.323 31.823 -1.066 0.000 0.748 159 V HN 0.790 nan 8.190 nan 0.000 0.474 160 G N -1.632 105.873 108.800 -2.159 0.000 2.342 160 G HA2 0.462 4.438 3.960 0.026 0.000 0.297 160 G HA3 0.462 4.438 3.960 0.026 0.000 0.297 160 G C -2.467 171.909 174.900 -0.872 0.000 1.313 160 G CA -0.347 43.822 45.100 -1.551 0.000 0.830 160 G HN 0.056 nan 8.290 nan 0.000 0.506 161 Y N -0.372 119.619 120.300 -0.516 0.000 2.553 161 Y HA 0.735 5.300 4.550 0.026 0.000 0.347 161 Y C -0.036 175.582 175.900 -0.471 0.000 1.019 161 Y CA -0.192 57.574 58.100 -0.557 0.000 1.032 161 Y CB 2.457 40.777 38.460 -0.233 0.000 1.284 161 Y HN 1.231 nan 8.280 nan 0.000 0.466 162 G N 4.456 112.385 108.800 -1.451 0.000 2.753 162 G HA2 0.490 4.465 3.960 0.026 0.000 0.295 162 G HA3 0.490 4.465 3.960 0.026 0.000 0.295 162 G C -2.139 172.402 174.900 -0.600 0.000 1.437 162 G CA -0.987 43.600 45.100 -0.856 0.000 1.094 162 G HN 0.605 nan 8.290 nan 0.000 0.540 163 Q N 0.921 120.536 119.800 -0.309 0.000 2.241 163 Q HA 0.626 4.981 4.340 0.026 0.000 0.262 163 Q C -0.945 175.061 176.000 0.010 0.000 1.014 163 Q CA -0.895 54.849 55.803 -0.098 0.000 0.885 163 Q CB 2.252 30.977 28.738 -0.023 0.000 1.311 163 Q HN 0.572 nan 8.270 nan 0.000 0.461 164 D N 0.100 120.535 120.400 0.058 0.000 4.531 164 D HA -0.101 4.554 4.640 0.026 0.000 0.229 164 D C -0.247 176.096 176.300 0.073 0.000 1.248 164 D CA 0.623 54.665 54.000 0.071 0.000 1.039 164 D CB -0.302 40.529 40.800 0.052 0.000 0.609 164 D HN 0.638 nan 8.370 nan 0.000 0.283 165 S N 3.588 119.343 115.700 0.091 0.000 2.414 165 S HA -0.062 4.424 4.470 0.026 0.000 0.227 165 S C 1.662 176.370 174.600 0.181 0.000 1.022 165 S CA 0.341 58.631 58.200 0.150 0.000 0.958 165 S CB 0.259 63.538 63.200 0.133 0.000 0.797 165 S HN 0.435 nan 8.310 nan 0.000 0.493 166 R N 0.882 121.452 120.500 0.116 0.000 2.276 166 R HA 0.358 4.714 4.340 0.026 0.000 0.203 166 R C 0.334 176.670 176.300 0.060 0.000 1.017 166 R CA 0.174 56.334 56.100 0.101 0.000 1.010 166 R CB -0.802 29.572 30.300 0.124 0.000 0.900 166 R HN 0.427 nan 8.270 nan 0.000 0.469 167 L N 0.222 121.458 121.223 0.021 0.000 2.327 167 L HA 0.501 4.856 4.340 0.026 0.000 0.258 167 L C -2.420 174.412 176.870 -0.064 0.000 1.024 167 L CA -2.635 52.189 54.840 -0.027 0.000 0.825 167 L CB 2.265 44.309 42.059 -0.025 0.000 1.386 167 L HN -0.246 nan 8.230 nan 0.000 0.417 168 P HA 0.130 nan 4.420 nan 0.000 0.276 168 P C -1.094 176.166 177.300 -0.067 0.000 1.235 168 P CA -0.174 62.874 63.100 -0.088 0.000 0.772 168 P CB 0.848 32.468 31.700 -0.133 0.000 0.871 169 S N 2.519 118.238 115.700 0.030 0.000 2.433 169 S HA 0.319 4.804 4.470 0.026 0.000 0.310 169 S C -0.246 174.299 174.600 -0.091 0.000 1.097 169 S CA -0.693 57.488 58.200 -0.032 0.000 1.103 169 S CB 0.815 64.239 63.200 0.373 0.000 0.992 169 S HN 0.368 nan 8.310 nan 0.000 0.469 170 E N 1.965 121.879 120.200 -0.477 0.000 2.183 170 E HA 0.573 4.939 4.350 0.026 0.000 0.271 170 E C -1.373 174.807 176.600 -0.700 0.000 0.919 170 E CA -0.500 55.697 56.400 -0.339 0.000 0.781 170 E CB 1.442 31.091 29.700 -0.085 0.000 1.140 170 E HN 0.468 nan 8.360 nan 0.000 0.402 171 F N 0.725 120.741 119.950 0.111 0.000 2.569 171 F HA 0.212 4.755 4.527 0.026 0.000 0.312 171 F C -0.171 175.645 175.800 0.028 0.000 1.109 171 F CA -1.165 56.859 58.000 0.041 0.000 0.919 171 F CB 1.670 40.674 39.000 0.006 0.000 1.211 171 F HN 0.269 nan 8.300 nan 0.000 0.446 172 D N 2.868 123.386 120.400 0.197 0.000 2.313 172 D HA 0.377 5.033 4.640 0.026 0.000 0.239 172 D C -0.021 176.374 176.300 0.158 0.000 1.142 172 D CA 0.082 54.176 54.000 0.156 0.000 0.847 172 D CB 1.130 42.015 40.800 0.142 0.000 1.082 172 D HN 0.558 nan 8.370 nan 0.000 0.480 173 L N 2.654 123.986 121.223 0.182 0.000 2.857 173 L HA 0.157 4.513 4.340 0.026 0.000 0.249 173 L C 2.053 179.165 176.870 0.403 0.000 1.172 173 L CA -0.230 54.758 54.840 0.246 0.000 0.980 173 L CB 0.214 42.376 42.059 0.172 0.000 1.299 173 L HN 0.227 nan 8.230 nan 0.000 0.535 174 S N 1.050 116.931 115.700 0.302 0.000 2.428 174 S HA -0.235 4.251 4.470 0.026 0.000 0.240 174 S C 1.843 176.585 174.600 0.236 0.000 1.036 174 S CA 1.759 60.105 58.200 0.245 0.000 1.009 174 S CB -0.028 63.271 63.200 0.165 0.000 0.803 174 S HN 0.593 nan 8.310 nan 0.000 0.486 175 A N -1.295 121.706 122.820 0.301 0.000 2.431 175 A HA 0.491 4.826 4.320 0.026 0.000 0.239 175 A C 0.975 178.469 177.584 -0.151 0.000 1.230 175 A CA -0.237 51.827 52.037 0.044 0.000 0.928 175 A CB 0.023 18.956 19.000 -0.112 0.000 1.006 175 A HN 0.443 nan 8.150 nan 0.000 0.520 176 F N -0.427 119.568 119.950 0.075 0.000 2.694 176 F HA 0.387 4.929 4.527 0.026 0.000 0.292 176 F C 0.730 176.568 175.800 0.064 0.000 1.121 176 F CA -0.318 57.724 58.000 0.070 0.000 1.352 176 F CB 0.020 39.068 39.000 0.079 0.000 1.107 176 F HN -0.022 nan 8.300 nan 0.000 0.597 177 L N 2.455 123.856 121.223 0.296 0.000 2.417 177 L HA 0.337 4.693 4.340 0.026 0.000 0.268 177 L C 0.362 177.286 176.870 0.091 0.000 1.158 177 L CA -0.246 54.701 54.840 0.178 0.000 0.819 177 L CB 0.741 42.928 42.059 0.212 0.000 1.112 177 L HN 0.130 nan 8.230 nan 0.000 0.458 178 R N 2.223 122.738 120.500 0.025 0.000 2.837 178 R HA 0.787 5.143 4.340 0.026 0.000 0.271 178 R C -1.079 175.199 176.300 -0.037 0.000 0.993 178 R CA -0.975 55.121 56.100 -0.006 0.000 0.931 178 R CB 1.545 31.832 30.300 -0.022 0.000 1.206 178 R HN 0.524 nan 8.270 nan 0.000 0.474 179 A N 1.092 123.895 122.820 -0.030 0.000 2.409 179 A HA 0.549 4.884 4.320 0.026 0.000 0.267 179 A C 1.030 178.565 177.584 -0.082 0.000 1.127 179 A CA 0.797 52.806 52.037 -0.047 0.000 0.795 179 A CB -0.304 18.682 19.000 -0.023 0.000 1.061 179 A HN 1.242 nan 8.150 nan 0.000 0.502 180 G N 1.669 110.399 108.800 -0.117 0.000 2.848 180 G HA2 -0.198 3.778 3.960 0.026 0.000 0.246 180 G HA3 -0.198 3.778 3.960 0.026 0.000 0.246 180 G C 0.162 174.935 174.900 -0.213 0.000 1.374 180 G CA 0.233 45.249 45.100 -0.139 0.000 0.982 180 G HN 1.032 nan 8.290 nan 0.000 0.563 181 E N 1.827 121.910 120.200 -0.195 0.000 2.324 181 E HA 0.439 4.804 4.350 0.026 0.000 0.271 181 E C -0.304 176.097 176.600 -0.332 0.000 1.028 181 E CA -0.206 56.043 56.400 -0.253 0.000 0.890 181 E CB 0.128 29.731 29.700 -0.162 0.000 1.004 181 E HN 0.404 nan 8.360 nan 0.000 0.431 182 N N 3.228 121.582 118.700 -0.576 0.000 2.357 182 N HA 0.373 5.129 4.740 0.026 0.000 0.284 182 N C -1.214 173.995 175.510 -0.503 0.000 1.236 182 N CA -0.676 52.004 53.050 -0.616 0.000 0.774 182 N CB 2.076 39.909 38.487 -1.091 0.000 1.534 182 N HN 0.386 nan 8.380 nan 0.000 0.478 183 R N 1.172 121.584 120.500 -0.146 0.000 2.750 183 R HA 0.614 4.969 4.340 0.026 0.000 0.281 183 R C -1.408 175.007 176.300 0.191 0.000 0.972 183 R CA -0.518 55.619 56.100 0.061 0.000 0.912 183 R CB 1.339 31.633 30.300 -0.011 0.000 1.187 183 R HN 0.478 nan 8.270 nan 0.000 0.464 184 L N 2.144 123.492 121.223 0.209 0.000 2.362 184 L HA 0.736 5.092 4.340 0.026 0.000 0.271 184 L C -0.615 176.370 176.870 0.191 0.000 1.002 184 L CA -0.919 54.048 54.840 0.212 0.000 0.818 184 L CB 2.203 44.391 42.059 0.214 0.000 1.298 184 L HN 0.705 nan 8.230 nan 0.000 0.420 185 A N 2.816 125.758 122.820 0.203 0.000 2.466 185 A HA 0.701 5.037 4.320 0.026 0.000 0.291 185 A C -0.817 177.119 177.584 0.586 0.000 1.234 185 A CA -0.462 51.662 52.037 0.144 0.000 0.752 185 A CB 0.946 19.427 19.000 -0.865 0.000 1.153 185 A HN 0.373 nan 8.150 nan 0.000 0.458 186 V N 3.125 123.544 119.914 0.842 0.000 2.407 186 V HA 0.535 4.671 4.120 0.026 0.000 0.278 186 V C 0.220 176.858 176.094 0.907 0.000 1.037 186 V CA -0.169 62.617 62.300 0.810 0.000 0.900 186 V CB 1.001 33.202 31.823 0.630 0.000 0.983 186 V HN 0.962 nan 8.190 nan 0.000 0.459 187 M N 6.433 126.522 119.600 0.816 0.000 2.016 187 M HA 0.602 5.097 4.480 0.026 0.000 0.315 187 M C -1.277 175.291 176.300 0.446 0.000 0.930 187 M CA -0.120 55.537 55.300 0.594 0.000 0.899 187 M CB 1.288 34.233 32.600 0.574 0.000 1.401 187 M HN 0.288 nan 8.290 nan 0.000 0.386 188 V N 5.001 125.171 119.914 0.426 0.000 2.530 188 V HA 0.378 4.513 4.120 0.026 0.000 0.282 188 V C -0.015 176.261 176.094 0.303 0.000 1.048 188 V CA -0.392 62.133 62.300 0.374 0.000 0.997 188 V CB 0.924 33.023 31.823 0.459 0.000 0.987 188 V HN 0.826 nan 8.190 nan 0.000 0.477 189 L N 4.838 126.161 121.223 0.168 0.000 2.307 189 L HA 0.528 4.884 4.340 0.026 0.000 0.284 189 L C 1.300 178.171 176.870 0.000 0.000 1.023 189 L CA -0.220 54.641 54.840 0.035 0.000 0.810 189 L CB 1.520 43.510 42.059 -0.115 0.000 1.231 189 L HN 0.590 nan 8.230 nan 0.000 0.423 190 R N 2.709 123.161 120.500 -0.079 0.000 2.107 190 R HA -0.044 4.311 4.340 0.026 0.000 0.223 190 R C -0.287 175.726 176.300 -0.478 0.000 1.138 190 R CA 1.212 57.053 56.100 -0.432 0.000 0.900 190 R CB -0.044 29.841 30.300 -0.691 0.000 0.814 190 R HN 0.544 nan 8.270 nan 0.000 0.437 191 W N 0.821 122.191 121.300 0.118 0.000 2.218 191 W HA 0.210 4.885 4.660 0.025 0.000 0.326 191 W C 0.440 177.072 176.519 0.190 0.000 1.276 191 W CA -0.487 56.932 57.345 0.123 0.000 1.210 191 W CB 0.689 30.222 29.460 0.121 0.000 1.143 191 W HN 0.191 nan 8.180 nan 0.000 0.563 192 S N 0.116 116.087 115.700 0.451 0.000 2.671 192 S HA 0.215 4.701 4.470 0.026 0.000 0.277 192 S C 0.297 175.166 174.600 0.447 0.000 1.165 192 S CA -0.292 58.199 58.200 0.484 0.000 0.822 192 S CB 1.090 64.525 63.200 0.390 0.000 1.150 192 S HN 0.587 nan 8.310 nan 0.000 0.479 193 D N 0.558 121.226 120.400 0.447 0.000 2.269 193 D HA 0.111 4.766 4.640 0.026 0.000 0.208 193 D C 1.725 178.338 176.300 0.522 0.000 0.963 193 D CA 1.044 55.341 54.000 0.496 0.000 0.864 193 D CB -0.702 40.281 40.800 0.304 0.000 0.936 193 D HN 0.666 nan 8.370 nan 0.000 0.505 194 G N -0.270 108.755 108.800 0.375 0.000 2.535 194 G HA2 -0.213 3.763 3.960 0.026 0.000 0.218 194 G HA3 -0.213 3.763 3.960 0.026 0.000 0.218 194 G C 1.633 176.718 174.900 0.310 0.000 1.122 194 G CA 0.600 45.888 45.100 0.313 0.000 0.769 194 G HN 0.303 nan 8.290 nan 0.000 0.549 195 S N -0.585 115.303 115.700 0.314 0.000 2.425 195 S HA 0.036 4.522 4.470 0.026 0.000 0.225 195 S C 1.832 176.577 174.600 0.242 0.000 1.024 195 S CA 0.064 58.413 58.200 0.249 0.000 0.951 195 S CB -0.256 63.098 63.200 0.257 0.000 0.796 195 S HN 0.520 nan 8.310 nan 0.000 0.498 196 Y N 1.297 121.724 120.300 0.212 0.000 2.465 196 Y HA 0.034 4.599 4.550 0.026 0.000 0.289 196 Y C 1.694 177.749 175.900 0.259 0.000 1.150 196 Y CA 0.683 58.855 58.100 0.119 0.000 1.293 196 Y CB -0.154 38.219 38.460 -0.144 0.000 0.977 196 Y HN 0.207 nan 8.280 nan 0.000 0.556 197 L N -0.282 121.158 121.223 0.361 0.000 2.592 197 L HA 0.044 4.399 4.340 0.026 0.000 0.227 197 L C 0.212 177.221 176.870 0.231 0.000 1.127 197 L CA 0.736 55.734 54.840 0.263 0.000 0.884 197 L CB 0.013 42.240 42.059 0.279 0.000 1.065 197 L HN 0.217 nan 8.230 nan 0.000 0.457 198 E N -0.330 120.018 120.200 0.247 0.000 3.646 198 E HA 0.020 4.385 4.350 0.026 0.000 0.211 198 E C -0.489 176.206 176.600 0.158 0.000 1.034 198 E CA -0.111 56.410 56.400 0.201 0.000 1.341 198 E CB 0.447 30.256 29.700 0.183 0.000 1.202 198 E HN -0.004 nan 8.360 nan 0.000 0.447 199 D N 1.348 121.793 120.400 0.075 0.000 3.038 199 D HA 0.027 4.683 4.640 0.026 0.000 0.243 199 D C -0.431 175.838 176.300 -0.051 0.000 1.245 199 D CA -0.118 53.805 54.000 -0.128 0.000 0.871 199 D CB -0.014 40.430 40.800 -0.593 0.000 1.089 199 D HN 0.054 nan 8.370 nan 0.000 0.464 200 Q N 0.539 120.404 119.800 0.108 0.000 2.332 200 Q HA 0.131 4.486 4.340 0.026 0.000 0.263 200 Q C -0.128 175.951 176.000 0.132 0.000 0.979 200 Q CA -0.137 55.804 55.803 0.229 0.000 0.885 200 Q CB 0.738 29.778 28.738 0.503 0.000 1.218 200 Q HN 0.116 nan 8.270 nan 0.000 0.405 201 D N 3.762 124.255 120.400 0.155 0.000 2.429 201 D HA 0.145 4.800 4.640 0.026 0.000 0.253 201 D C -0.592 175.811 176.300 0.172 0.000 1.294 201 D CA 0.166 54.200 54.000 0.056 0.000 1.063 201 D CB -0.356 40.481 40.800 0.062 0.000 1.096 201 D HN 0.527 nan 8.370 nan 0.000 0.516 202 M N 0.998 120.644 119.600 0.076 0.000 3.069 202 M HA 0.322 4.818 4.480 0.026 0.000 0.274 202 M C -1.521 174.844 176.300 0.109 0.000 1.146 202 M CA -1.052 54.285 55.300 0.062 0.000 0.807 202 M CB 0.767 33.294 32.600 -0.121 0.000 1.621 202 M HN -0.032 nan 8.290 nan 0.000 0.521 203 W N 2.147 123.550 121.300 0.171 0.000 2.295 203 W HA 0.293 4.968 4.660 0.026 0.000 0.335 203 W C 0.276 176.795 176.519 0.000 0.000 1.351 203 W CA 0.001 57.414 57.345 0.112 0.000 1.273 203 W CB 0.198 29.672 29.460 0.024 0.000 1.214 203 W HN 0.321 nan 8.180 nan 0.000 0.563 204 R N 4.857 125.513 120.500 0.260 0.000 2.235 204 R HA 0.353 4.708 4.340 0.026 0.000 0.338 204 R C -0.021 176.300 176.300 0.036 0.000 1.087 204 R CA -0.152 56.037 56.100 0.149 0.000 0.948 204 R CB -0.334 30.128 30.300 0.270 0.000 1.099 204 R HN 0.560 nan 8.270 nan 0.000 0.483 205 M N 0.109 119.628 119.600 -0.135 0.000 2.655 205 M HA 0.557 5.053 4.480 0.026 0.000 0.271 205 M C 0.013 176.014 176.300 -0.498 0.000 1.013 205 M CA -0.795 54.319 55.300 -0.310 0.000 0.994 205 M CB 1.765 34.168 32.600 -0.329 0.000 1.585 205 M HN 0.566 nan 8.290 nan 0.000 0.569 206 S N -1.473 113.808 115.700 -0.698 0.000 2.627 206 S HA 0.830 5.316 4.470 0.026 0.000 0.268 206 S C -0.645 173.451 174.600 -0.840 0.000 1.130 206 S CA -0.385 57.320 58.200 -0.825 0.000 0.819 206 S CB 1.250 63.888 63.200 -0.938 0.000 1.100 206 S HN 1.547 nan 8.310 nan 0.000 0.465 207 G N -0.044 108.433 108.800 -0.537 0.000 2.555 207 G HA2 0.107 4.083 3.960 0.026 0.000 0.686 207 G HA3 0.107 4.083 3.960 0.026 0.000 0.686 207 G C -0.806 173.996 174.900 -0.163 0.000 1.275 207 G CA -0.682 44.298 45.100 -0.201 0.000 0.871 207 G HN 1.315 nan 8.290 nan 0.000 0.603 208 I N 1.992 122.280 120.570 -0.470 0.000 2.755 208 I HA 0.085 4.271 4.170 0.026 0.000 0.303 208 I C 1.573 177.466 176.117 -0.373 0.000 1.168 208 I CA 0.642 61.598 61.300 -0.573 0.000 1.588 208 I CB -0.692 36.717 38.000 -0.985 0.000 1.509 208 I HN 0.519 nan 8.210 nan 0.000 0.734 209 F N 4.767 124.507 119.950 -0.350 0.000 2.749 209 F HA 0.389 4.931 4.527 0.025 0.000 0.300 209 F C 0.808 176.489 175.800 -0.200 0.000 1.103 209 F CA -0.547 57.291 58.000 -0.269 0.000 1.342 209 F CB 0.084 38.934 39.000 -0.250 0.000 1.098 209 F HN 0.136 nan 8.300 nan 0.000 0.586 210 R N 0.643 120.680 120.500 -0.772 0.000 2.930 210 R HA 0.262 4.618 4.340 0.026 0.000 0.257 210 R C -0.833 175.233 176.300 -0.390 0.000 1.107 210 R CA -1.169 54.604 56.100 -0.544 0.000 0.999 210 R CB 0.608 30.499 30.300 -0.682 0.000 1.209 210 R HN -0.028 nan 8.270 nan 0.000 0.486 211 D N 0.392 120.633 120.400 -0.265 0.000 2.341 211 D HA 0.105 4.761 4.640 0.026 0.000 0.233 211 D C -0.446 175.715 176.300 -0.232 0.000 1.270 211 D CA 0.450 54.334 54.000 -0.194 0.000 0.883 211 D CB 0.426 41.160 40.800 -0.111 0.000 1.207 211 D HN 0.005 nan 8.370 nan 0.000 0.471 212 V N 0.548 120.346 119.914 -0.194 0.000 2.638 212 V HA 0.562 4.697 4.120 0.026 0.000 0.306 212 V C -0.196 175.791 176.094 -0.178 0.000 1.052 212 V CA -0.498 61.649 62.300 -0.256 0.000 0.885 212 V CB 1.953 33.626 31.823 -0.250 0.000 0.999 212 V HN 0.550 nan 8.190 nan 0.000 0.424 213 S N 4.004 119.575 115.700 -0.215 0.000 2.651 213 S HA 0.766 5.251 4.470 0.026 0.000 0.279 213 S C -1.351 173.193 174.600 -0.094 0.000 1.148 213 S CA -0.679 57.456 58.200 -0.109 0.000 0.837 213 S CB 2.072 65.244 63.200 -0.047 0.000 1.138 213 S HN 0.536 nan 8.310 nan 0.000 0.478 214 L N 2.321 123.553 121.223 0.017 0.000 2.406 214 L HA 0.577 4.933 4.340 0.026 0.000 0.272 214 L C -1.664 175.335 176.870 0.215 0.000 0.980 214 L CA -0.693 54.223 54.840 0.126 0.000 0.831 214 L CB 1.657 43.825 42.059 0.183 0.000 1.253 214 L HN 0.506 nan 8.230 nan 0.000 0.406 215 L N 3.644 124.960 121.223 0.155 0.000 2.313 215 L HA 0.432 4.788 4.340 0.026 0.000 0.283 215 L C -0.613 176.229 176.870 -0.046 0.000 1.013 215 L CA -0.217 54.661 54.840 0.064 0.000 0.816 215 L CB 1.369 43.453 42.059 0.042 0.000 1.236 215 L HN 0.473 nan 8.230 nan 0.000 0.419 216 H N 4.112 122.939 119.070 -0.405 0.000 2.640 216 H HA 0.467 5.038 4.556 0.026 0.000 0.297 216 H C -0.891 174.175 175.328 -0.436 0.000 1.073 216 H CA -0.078 55.541 56.048 -0.715 0.000 1.305 216 H CB 0.596 29.200 29.762 -1.930 0.000 1.404 216 H HN 0.649 nan 8.280 nan 0.000 0.459 217 K N 5.757 125.680 120.400 -0.794 0.000 2.208 217 K HA 0.407 4.742 4.320 0.026 0.000 0.247 217 K C -2.594 173.663 176.600 -0.572 0.000 0.953 217 K CA -2.536 53.419 56.287 -0.554 0.000 0.837 217 K CB 1.329 33.626 32.500 -0.340 0.000 1.131 217 K HN 0.444 nan 8.250 nan 0.000 0.431 218 P HA 0.031 nan 4.420 nan 0.000 0.271 218 P C -0.048 177.143 177.300 -0.182 0.000 1.244 218 P CA -0.142 62.828 63.100 -0.217 0.000 0.793 218 P CB 0.474 32.101 31.700 -0.121 0.000 0.984 219 T N -1.907 112.581 114.554 -0.111 0.000 2.904 219 T HA -0.011 4.355 4.350 0.026 0.000 0.267 219 T C 0.605 175.260 174.700 -0.075 0.000 1.059 219 T CA 1.437 63.487 62.100 -0.083 0.000 1.137 219 T CB -0.453 68.389 68.868 -0.042 0.000 0.879 219 T HN 0.397 nan 8.240 nan 0.000 0.467 220 T N 3.533 118.048 114.554 -0.065 0.000 2.821 220 T HA 0.479 4.844 4.350 0.026 0.000 0.307 220 T C -0.310 174.346 174.700 -0.074 0.000 1.034 220 T CA -0.765 61.299 62.100 -0.060 0.000 0.953 220 T CB 0.911 69.767 68.868 -0.019 0.000 0.968 220 T HN 0.455 nan 8.240 nan 0.000 0.462 221 Q N 2.697 122.436 119.800 -0.102 0.000 2.831 221 Q HA 0.587 4.942 4.340 0.026 0.000 0.322 221 Q C -1.305 174.623 176.000 -0.121 0.000 0.923 221 Q CA -1.142 54.584 55.803 -0.127 0.000 0.767 221 Q CB 1.231 29.857 28.738 -0.187 0.000 1.469 221 Q HN 0.435 nan 8.270 nan 0.000 0.496 222 I N 2.705 123.172 120.570 -0.171 0.000 2.291 222 I HA 0.078 4.264 4.170 0.026 0.000 0.292 222 I C 0.698 176.713 176.117 -0.171 0.000 1.064 222 I CA -0.177 61.045 61.300 -0.131 0.000 1.269 222 I CB 1.299 39.199 38.000 -0.166 0.000 1.418 222 I HN 0.739 nan 8.210 nan 0.000 0.485 223 S N 3.265 118.956 115.700 -0.015 0.000 2.436 223 S HA 0.054 4.539 4.470 0.026 0.000 0.228 223 S C 0.423 175.204 174.600 0.301 0.000 1.014 223 S CA 0.209 58.458 58.200 0.082 0.000 0.950 223 S CB 0.048 63.270 63.200 0.036 0.000 0.784 223 S HN 0.714 nan 8.310 nan 0.000 0.504 224 D N -0.653 119.929 120.400 0.303 0.000 2.683 224 D HA 0.502 5.158 4.640 0.026 0.000 0.246 224 D C -1.960 174.531 176.300 0.318 0.000 1.238 224 D CA -0.764 53.444 54.000 0.348 0.000 0.759 224 D CB 1.673 42.560 40.800 0.146 0.000 1.349 224 D HN 0.185 nan 8.370 nan 0.000 0.426 225 F N -0.315 119.693 119.950 0.098 0.000 2.628 225 F HA 0.632 5.175 4.527 0.027 0.000 0.309 225 F C -1.560 174.315 175.800 0.124 0.000 1.108 225 F CA -0.686 57.309 58.000 -0.008 0.000 0.971 225 F CB 1.220 40.261 39.000 0.069 0.000 1.279 225 F HN 0.255 nan 8.300 nan 0.000 0.441 226 H N 1.926 121.015 119.070 0.031 0.000 2.622 226 H HA 0.825 5.397 4.556 0.027 0.000 0.363 226 H C -1.133 174.201 175.328 0.009 0.000 1.151 226 H CA -1.543 54.467 56.048 -0.065 0.000 1.184 226 H CB 2.678 32.407 29.762 -0.055 0.000 1.643 226 H HN 0.612 nan 8.280 nan 0.000 0.531 227 V N 0.937 120.918 119.914 0.112 0.000 2.960 227 V HA 0.864 4.999 4.120 0.026 0.000 0.315 227 V C -0.459 175.621 176.094 -0.024 0.000 1.087 227 V CA -0.688 61.638 62.300 0.044 0.000 0.982 227 V CB 1.766 33.601 31.823 0.021 0.000 1.039 227 V HN 0.993 nan 8.190 nan 0.000 0.437 228 A N 1.509 124.286 122.820 -0.072 0.000 2.582 228 A HA 0.818 5.154 4.320 0.026 0.000 0.297 228 A C -0.632 176.847 177.584 -0.175 0.000 1.059 228 A CA -0.161 51.812 52.037 -0.106 0.000 0.705 228 A CB 1.997 20.962 19.000 -0.059 0.000 1.279 228 A HN 1.147 nan 8.150 nan 0.000 0.404 229 T N -0.021 114.393 114.554 -0.233 0.000 3.031 229 T HA 0.711 5.076 4.350 0.026 0.000 0.305 229 T C -0.507 173.912 174.700 -0.467 0.000 0.985 229 T CA -0.686 61.192 62.100 -0.369 0.000 1.008 229 T CB 1.017 69.523 68.868 -0.603 0.000 1.005 229 T HN 0.763 nan 8.240 nan 0.000 0.444 230 R N 1.893 122.128 120.500 -0.442 0.000 2.532 230 R HA 0.819 5.174 4.340 0.026 0.000 0.272 230 R C -0.806 175.074 176.300 -0.699 0.000 1.032 230 R CA -0.623 55.233 56.100 -0.407 0.000 1.089 230 R CB 0.920 31.121 30.300 -0.164 0.000 1.098 230 R HN 0.572 nan 8.270 nan 0.000 0.526 231 F N -0.209 119.774 119.950 0.056 0.000 2.654 231 F HA 0.413 4.954 4.527 0.024 0.000 0.334 231 F C 0.324 176.044 175.800 -0.132 0.000 1.078 231 F CA -1.115 56.887 58.000 0.003 0.000 0.986 231 F CB 1.177 40.188 39.000 0.018 0.000 1.362 231 F HN 0.533 nan 8.300 nan 0.000 0.498 232 N N -0.044 118.683 118.700 0.046 0.000 2.471 232 N HA 0.132 4.887 4.740 0.026 0.000 0.288 232 N C 0.230 175.590 175.510 -0.251 0.000 1.220 232 N CA -0.254 52.751 53.050 -0.075 0.000 0.893 232 N CB 1.006 39.481 38.487 -0.020 0.000 1.256 232 N HN 0.770 nan 8.380 nan 0.000 0.534 233 D N 0.593 120.890 120.400 -0.172 0.000 2.558 233 D HA -0.328 4.327 4.640 0.026 0.000 0.190 233 D C 0.457 176.599 176.300 -0.264 0.000 1.047 233 D CA 2.526 56.418 54.000 -0.180 0.000 0.880 233 D CB -0.681 40.074 40.800 -0.076 0.000 0.926 233 D HN 0.776 nan 8.370 nan 0.000 0.465 234 D N -1.948 118.356 120.400 -0.161 0.000 2.398 234 D HA 0.059 4.715 4.640 0.026 0.000 0.210 234 D C 0.570 176.961 176.300 0.152 0.000 1.094 234 D CA -0.509 53.483 54.000 -0.013 0.000 0.839 234 D CB -0.783 40.057 40.800 0.065 0.000 0.963 234 D HN 0.417 nan 8.370 nan 0.000 0.506 235 F N -0.150 119.848 119.950 0.079 0.000 2.746 235 F HA -0.294 4.248 4.527 0.025 0.000 0.315 235 F C 1.508 177.373 175.800 0.108 0.000 0.666 235 F CA 0.676 58.730 58.000 0.090 0.000 1.381 235 F CB -2.385 36.556 39.000 -0.098 0.000 1.739 235 F HN 0.106 nan 8.300 nan 0.000 0.322 236 S N -0.528 115.292 115.700 0.201 0.000 2.522 236 S HA 0.100 4.585 4.470 0.026 0.000 0.227 236 S C 0.675 175.345 174.600 0.118 0.000 0.986 236 S CA 0.262 58.543 58.200 0.136 0.000 0.929 236 S CB 0.099 63.349 63.200 0.084 0.000 0.769 236 S HN 0.381 nan 8.310 nan 0.000 0.529 237 R N 0.698 121.292 120.500 0.158 0.000 2.673 237 R HA 0.834 5.190 4.340 0.026 0.000 0.281 237 R C -1.112 175.286 176.300 0.164 0.000 0.991 237 R CA -0.458 55.707 56.100 0.109 0.000 0.896 237 R CB 1.772 32.101 30.300 0.049 0.000 1.201 237 R HN 0.167 nan 8.270 nan 0.000 0.457 238 A N 1.357 124.208 122.820 0.052 0.000 2.527 238 A HA 0.778 5.113 4.320 0.026 0.000 0.293 238 A C -1.218 176.331 177.584 -0.059 0.000 1.117 238 A CA -0.742 51.269 52.037 -0.043 0.000 0.723 238 A CB 2.259 21.275 19.000 0.027 0.000 1.313 238 A HN 0.332 nan 8.150 nan 0.000 0.411 239 V N 1.178 121.028 119.914 -0.107 0.000 2.577 239 V HA 0.442 4.578 4.120 0.026 0.000 0.303 239 V C -0.777 175.279 176.094 -0.063 0.000 1.042 239 V CA -0.361 61.899 62.300 -0.066 0.000 0.872 239 V CB 1.437 33.209 31.823 -0.085 0.000 0.998 239 V HN 0.851 nan 8.190 nan 0.000 0.423 240 L N 4.259 125.479 121.223 -0.006 0.000 2.312 240 L HA 0.621 4.976 4.340 0.026 0.000 0.281 240 L C -0.066 176.776 176.870 -0.047 0.000 1.070 240 L CA 0.489 55.307 54.840 -0.037 0.000 0.805 240 L CB 1.176 43.246 42.059 0.019 0.000 1.174 240 L HN 0.790 nan 8.230 nan 0.000 0.434 241 E N 4.071 124.236 120.200 -0.059 0.000 2.244 241 E HA 0.636 5.001 4.350 0.026 0.000 0.260 241 E C -1.599 174.998 176.600 -0.005 0.000 0.884 241 E CA -0.788 55.592 56.400 -0.033 0.000 0.777 241 E CB 1.566 31.241 29.700 -0.041 0.000 1.197 241 E HN 0.774 nan 8.360 nan 0.000 0.416 242 A N 4.257 127.080 122.820 0.006 0.000 2.317 242 A HA 0.483 4.818 4.320 0.026 0.000 0.327 242 A C -0.641 176.954 177.584 0.018 0.000 1.178 242 A CA -0.559 51.501 52.037 0.038 0.000 0.817 242 A CB 1.234 20.260 19.000 0.042 0.000 1.189 242 A HN 0.666 nan 8.150 nan 0.000 0.489 243 E N 2.550 122.765 120.200 0.025 0.000 2.279 243 E HA 0.513 4.879 4.350 0.026 0.000 0.252 243 E C -1.649 174.906 176.600 -0.075 0.000 0.894 243 E CA -0.333 56.039 56.400 -0.047 0.000 0.785 243 E CB 1.387 31.042 29.700 -0.074 0.000 1.237 243 E HN 0.439 nan 8.360 nan 0.000 0.418 244 V N 4.069 123.980 119.914 -0.006 0.000 2.630 244 V HA 0.426 4.561 4.120 0.026 0.000 0.305 244 V C -0.275 175.890 176.094 0.118 0.000 1.046 244 V CA -0.638 61.702 62.300 0.067 0.000 0.934 244 V CB 1.605 33.460 31.823 0.053 0.000 1.003 244 V HN 0.700 nan 8.190 nan 0.000 0.451 245 Q N 3.472 123.343 119.800 0.117 0.000 2.379 245 Q HA 0.847 5.202 4.340 0.026 0.000 0.278 245 Q C -1.105 174.927 176.000 0.053 0.000 1.068 245 Q CA -1.033 54.825 55.803 0.092 0.000 0.816 245 Q CB 2.624 31.348 28.738 -0.024 0.000 1.387 245 Q HN 0.776 nan 8.270 nan 0.000 0.413 246 M N -0.222 119.326 119.600 -0.086 0.000 2.591 246 M HA 0.811 5.307 4.480 0.026 0.000 0.306 246 M C -1.516 174.668 176.300 -0.194 0.000 1.190 246 M CA -0.353 54.844 55.300 -0.171 0.000 0.889 246 M CB 2.357 34.721 32.600 -0.393 0.000 1.728 246 M HN 0.664 nan 8.290 nan 0.000 0.458 247 C N 1.986 121.199 119.300 -0.145 0.000 2.417 247 C HA 1.027 5.502 4.460 0.026 0.000 0.324 247 C C 0.713 175.631 174.990 -0.120 0.000 1.240 247 C CA 0.704 59.653 59.018 -0.115 0.000 1.632 247 C CB 0.497 28.192 27.740 -0.074 0.000 2.241 247 C HN 1.279 nan 8.230 nan 0.000 0.499 248 G N 3.195 111.930 108.800 -0.108 0.000 2.250 248 G HA2 0.102 4.078 3.960 0.026 0.000 0.252 248 G HA3 0.102 4.078 3.960 0.026 0.000 0.252 248 G C -1.660 173.181 174.900 -0.098 0.000 1.325 248 G CA -0.667 44.379 45.100 -0.090 0.000 1.091 248 G HN 0.721 nan 8.290 nan 0.000 0.476 249 E N -0.052 120.100 120.200 -0.080 0.000 2.179 249 E HA 0.631 4.997 4.350 0.026 0.000 0.275 249 E C -0.721 175.803 176.600 -0.126 0.000 0.945 249 E CA -0.855 55.492 56.400 -0.089 0.000 0.792 249 E CB 2.650 32.318 29.700 -0.054 0.000 1.125 249 E HN 0.424 nan 8.360 nan 0.000 0.397 250 L N 3.025 124.157 121.223 -0.152 0.000 2.278 250 L HA 0.313 4.669 4.340 0.026 0.000 0.287 250 L C -0.269 176.471 176.870 -0.216 0.000 1.072 250 L CA -0.196 54.533 54.840 -0.186 0.000 0.819 250 L CB 0.336 42.291 42.059 -0.174 0.000 1.176 250 L HN 0.388 nan 8.230 nan 0.000 0.435 251 R N 1.137 121.444 120.500 -0.322 0.000 2.502 251 R HA 0.143 4.498 4.340 0.026 0.000 0.298 251 R C 0.493 176.471 176.300 -0.537 0.000 1.018 251 R CA -0.600 55.136 56.100 -0.606 0.000 0.899 251 R CB 1.119 30.635 30.300 -1.307 0.000 1.181 251 R HN 0.681 nan 8.270 nan 0.000 0.444 252 D N 1.696 121.918 120.400 -0.297 0.000 2.407 252 D HA -0.381 4.275 4.640 0.026 0.000 0.197 252 D C 1.187 177.481 176.300 -0.009 0.000 1.024 252 D CA 1.976 55.912 54.000 -0.106 0.000 0.924 252 D CB -0.453 40.320 40.800 -0.044 0.000 0.888 252 D HN 0.706 nan 8.370 nan 0.000 0.456 253 Y N 0.097 120.429 120.300 0.054 0.000 2.561 253 Y HA 0.263 4.829 4.550 0.026 0.000 0.291 253 Y C 0.660 176.604 175.900 0.073 0.000 1.141 253 Y CA -0.765 57.369 58.100 0.057 0.000 1.303 253 Y CB -0.954 37.535 38.460 0.047 0.000 1.015 253 Y HN -0.042 nan 8.280 nan 0.000 0.547 254 L N 3.301 124.719 121.223 0.326 0.000 2.416 254 L HA 0.317 4.672 4.340 0.026 0.000 0.272 254 L C 0.294 177.249 176.870 0.142 0.000 1.161 254 L CA 0.100 55.112 54.840 0.286 0.000 0.845 254 L CB 0.484 42.736 42.059 0.320 0.000 1.119 254 L HN 0.168 nan 8.230 nan 0.000 0.464 255 R N 2.460 122.937 120.500 -0.038 0.000 2.808 255 R HA 0.754 5.109 4.340 0.026 0.000 0.272 255 R C -1.371 174.587 176.300 -0.569 0.000 0.995 255 R CA -0.882 55.071 56.100 -0.244 0.000 0.917 255 R CB 2.440 32.700 30.300 -0.067 0.000 1.217 255 R HN 0.282 nan 8.270 nan 0.000 0.471 256 V N 0.591 120.182 119.914 -0.538 0.000 2.769 256 V HA 0.534 4.670 4.120 0.026 0.000 0.312 256 V C -0.301 175.640 176.094 -0.255 0.000 1.061 256 V CA -0.570 61.438 62.300 -0.486 0.000 0.931 256 V CB 2.381 33.911 31.823 -0.488 0.000 1.010 256 V HN 0.754 nan 8.190 nan 0.000 0.433 257 T N 2.831 117.310 114.554 -0.126 0.000 2.886 257 T HA 0.661 5.026 4.350 0.026 0.000 0.292 257 T C -1.033 173.658 174.700 -0.015 0.000 1.012 257 T CA -0.383 61.729 62.100 0.021 0.000 0.982 257 T CB 1.751 70.742 68.868 0.205 0.000 1.018 257 T HN 0.395 nan 8.240 nan 0.000 0.451 258 V N 3.411 123.312 119.914 -0.021 0.000 2.482 258 V HA 0.570 4.706 4.120 0.026 0.000 0.295 258 V C -0.156 175.931 176.094 -0.012 0.000 1.026 258 V CA -0.950 61.339 62.300 -0.019 0.000 0.856 258 V CB 1.605 33.406 31.823 -0.037 0.000 1.001 258 V HN 1.029 nan 8.190 nan 0.000 0.424 259 S N 5.067 120.784 115.700 0.028 0.000 2.537 259 S HA 0.897 5.383 4.470 0.026 0.000 0.301 259 S C -0.886 173.680 174.600 -0.058 0.000 1.092 259 S CA -0.807 57.363 58.200 -0.049 0.000 1.048 259 S CB 2.433 65.649 63.200 0.026 0.000 1.053 259 S HN 0.527 nan 8.310 nan 0.000 0.501 260 L N 2.140 123.166 121.223 -0.329 0.000 2.404 260 L HA 0.692 5.048 4.340 0.026 0.000 0.272 260 L C -2.040 174.664 176.870 -0.277 0.000 0.980 260 L CA -0.237 54.536 54.840 -0.113 0.000 0.836 260 L CB 0.860 42.934 42.059 0.025 0.000 1.238 260 L HN 0.882 nan 8.230 nan 0.000 0.408 261 W N 2.828 124.224 121.300 0.158 0.000 2.706 261 W HA 0.624 5.299 4.660 0.026 0.000 0.346 261 W C -0.338 176.245 176.519 0.107 0.000 1.071 261 W CA -0.612 56.802 57.345 0.115 0.000 1.206 261 W CB 1.301 30.786 29.460 0.040 0.000 1.413 261 W HN 0.420 nan 8.180 nan 0.000 0.542 262 Q N 1.887 121.850 119.800 0.272 0.000 2.626 262 Q HA 0.467 4.823 4.340 0.026 0.000 0.239 262 Q C 0.753 176.809 176.000 0.095 0.000 1.101 262 Q CA 0.713 56.541 55.803 0.040 0.000 0.918 262 Q CB 0.092 28.787 28.738 -0.072 0.000 1.151 262 Q HN 0.772 nan 8.270 nan 0.000 0.531 263 G N 2.436 111.298 108.800 0.102 0.000 3.487 263 G HA2 -0.321 3.655 3.960 0.026 0.000 0.295 263 G HA3 -0.321 3.655 3.960 0.026 0.000 0.295 263 G C 0.562 175.507 174.900 0.076 0.000 1.454 263 G CA 0.270 45.402 45.100 0.053 0.000 1.039 263 G HN 0.506 nan 8.290 nan 0.000 0.624 264 E N 1.758 122.022 120.200 0.107 0.000 2.526 264 E HA 0.324 4.689 4.350 0.026 0.000 0.208 264 E C 0.286 177.052 176.600 0.278 0.000 0.997 264 E CA 0.658 57.127 56.400 0.115 0.000 0.961 264 E CB 0.422 30.155 29.700 0.056 0.000 1.030 264 E HN 0.437 nan 8.360 nan 0.000 0.483 265 T N 0.944 115.695 114.554 0.328 0.000 2.770 265 T HA 0.283 4.648 4.350 0.026 0.000 0.283 265 T C -0.139 174.688 174.700 0.210 0.000 0.988 265 T CA -0.460 61.792 62.100 0.254 0.000 0.957 265 T CB 1.751 70.690 68.868 0.118 0.000 0.930 265 T HN -0.098 nan 8.240 nan 0.000 0.443 266 Q N 2.895 122.638 119.800 -0.096 0.000 2.307 266 Q HA 0.238 4.594 4.340 0.026 0.000 0.259 266 Q C 0.664 176.461 176.000 -0.338 0.000 0.998 266 Q CA -0.268 55.132 55.803 -0.672 0.000 0.923 266 Q CB 0.901 29.101 28.738 -0.898 0.000 1.196 266 Q HN 0.570 nan 8.270 nan 0.000 0.416 267 V N 2.148 121.883 119.914 -0.298 0.000 2.599 267 V HA 0.206 4.341 4.120 0.026 0.000 0.245 267 V C 0.421 176.425 176.094 -0.151 0.000 1.046 267 V CA 1.131 63.357 62.300 -0.123 0.000 1.065 267 V CB 0.023 31.860 31.823 0.025 0.000 0.703 267 V HN 0.771 nan 8.190 nan 0.000 0.464 268 A N -0.788 121.894 122.820 -0.230 0.000 2.590 268 A HA 0.702 5.038 4.320 0.026 0.000 0.294 268 A C -0.743 176.705 177.584 -0.226 0.000 1.046 268 A CA 0.241 52.167 52.037 -0.184 0.000 0.684 268 A CB 1.524 20.457 19.000 -0.113 0.000 1.279 268 A HN 0.224 nan 8.150 nan 0.000 0.415 269 S N -0.064 115.538 115.700 -0.163 0.000 2.546 269 S HA 0.886 5.372 4.470 0.026 0.000 0.274 269 S C -0.440 174.113 174.600 -0.078 0.000 1.121 269 S CA 0.250 58.372 58.200 -0.131 0.000 0.887 269 S CB 1.768 64.884 63.200 -0.140 0.000 1.094 269 S HN 2.449 nan 8.310 nan 0.000 0.474 270 G N 1.730 110.497 108.800 -0.056 0.000 2.753 270 G HA2 0.607 4.583 3.960 0.026 0.000 0.297 270 G HA3 0.607 4.583 3.960 0.026 0.000 0.297 270 G C -1.350 173.529 174.900 -0.035 0.000 1.430 270 G CA -0.487 44.586 45.100 -0.045 0.000 1.040 270 G HN 0.778 nan 8.290 nan 0.000 0.530 271 T N -0.102 114.434 114.554 -0.030 0.000 2.893 271 T HA 0.894 5.260 4.350 0.026 0.000 0.293 271 T C -0.302 174.365 174.700 -0.057 0.000 1.027 271 T CA -0.079 62.008 62.100 -0.022 0.000 0.988 271 T CB 1.903 70.789 68.868 0.030 0.000 1.043 271 T HN 1.775 nan 8.240 nan 0.000 0.461 272 A N 3.275 126.027 122.820 -0.113 0.000 2.590 272 A HA 0.821 5.156 4.320 0.026 0.000 0.294 272 A C -3.170 174.276 177.584 -0.229 0.000 1.046 272 A CA -1.419 50.539 52.037 -0.133 0.000 0.684 272 A CB 1.055 19.985 19.000 -0.117 0.000 1.279 272 A HN 0.530 nan 8.150 nan 0.000 0.415 273 P HA 0.528 nan 4.420 nan 0.000 0.277 273 P C -0.311 176.857 177.300 -0.220 0.000 1.271 273 P CA -0.251 62.755 63.100 -0.156 0.000 0.795 273 P CB 0.344 32.033 31.700 -0.019 0.000 1.101 274 F N -0.497 119.433 119.950 -0.033 0.000 2.440 274 F HA 0.448 4.991 4.527 0.025 0.000 0.323 274 F C 1.498 177.290 175.800 -0.014 0.000 1.192 274 F CA 1.489 59.472 58.000 -0.028 0.000 1.252 274 F CB 0.037 39.016 39.000 -0.036 0.000 1.214 274 F HN 0.609 nan 8.300 nan 0.000 0.578 275 G N 1.114 110.077 108.800 0.273 0.000 3.448 275 G HA2 0.303 4.279 3.960 0.026 0.000 0.685 275 G HA3 0.303 4.279 3.960 0.026 0.000 0.685 275 G C -0.496 174.469 174.900 0.108 0.000 1.151 275 G CA -0.765 44.426 45.100 0.151 0.000 1.023 275 G HN 1.060 nan 8.290 nan 0.000 0.499 276 G N 0.770 109.644 108.800 0.124 0.000 2.537 276 G HA2 0.739 4.715 3.960 0.026 0.000 0.297 276 G HA3 0.739 4.715 3.960 0.026 0.000 0.297 276 G C 0.245 175.187 174.900 0.070 0.000 1.310 276 G CA -0.264 44.895 45.100 0.099 0.000 1.027 276 G HN 0.888 nan 8.290 nan 0.000 0.505 277 E N -1.033 119.201 120.200 0.058 0.000 2.428 277 E HA 0.213 4.578 4.350 0.026 0.000 0.257 277 E C -0.332 176.288 176.600 0.033 0.000 1.197 277 E CA -0.246 56.177 56.400 0.037 0.000 0.974 277 E CB 0.411 30.128 29.700 0.029 0.000 0.976 277 E HN 0.150 nan 8.360 nan 0.000 0.463 278 I N 1.948 122.527 120.570 0.014 0.000 2.379 278 I HA 0.030 4.216 4.170 0.026 0.000 0.290 278 I C 1.066 177.185 176.117 0.003 0.000 1.063 278 I CA 0.300 61.599 61.300 -0.002 0.000 1.351 278 I CB 0.297 38.292 38.000 -0.008 0.000 1.410 278 I HN 0.558 nan 8.210 nan 0.000 0.505 279 I N 2.050 122.616 120.570 -0.006 0.000 2.731 279 I HA 0.228 4.413 4.170 0.026 0.000 0.260 279 I C 0.106 176.217 176.117 -0.010 0.000 1.138 279 I CA 0.454 61.758 61.300 0.007 0.000 1.461 279 I CB 0.051 38.075 38.000 0.038 0.000 1.128 279 I HN 0.558 nan 8.210 nan 0.000 0.438 280 D N -0.255 120.125 120.400 -0.033 0.000 2.895 280 D HA 0.174 4.829 4.640 0.026 0.000 0.320 280 D C 0.378 176.658 176.300 -0.034 0.000 1.249 280 D CA -0.527 53.454 54.000 -0.031 0.000 0.997 280 D CB 0.579 41.358 40.800 -0.034 0.000 1.430 280 D HN -0.089 nan 8.370 nan 0.000 0.558 281 E N -1.057 119.126 120.200 -0.030 0.000 2.333 281 E HA -0.038 4.328 4.350 0.026 0.000 0.198 281 E C 1.418 177.997 176.600 -0.035 0.000 1.007 281 E CA 0.999 57.383 56.400 -0.027 0.000 0.845 281 E CB -0.062 29.626 29.700 -0.020 0.000 0.766 281 E HN 0.285 nan 8.360 nan 0.000 0.507 282 R N -0.557 119.912 120.500 -0.051 0.000 2.308 282 R HA 0.355 4.710 4.340 0.026 0.000 0.202 282 R C 0.949 177.202 176.300 -0.078 0.000 0.898 282 R CA 0.622 56.684 56.100 -0.063 0.000 1.046 282 R CB 0.848 31.103 30.300 -0.075 0.000 1.026 282 R HN 0.156 nan 8.270 nan 0.000 0.512 283 G N 0.067 108.819 108.800 -0.080 0.000 2.384 283 G HA2 -0.081 3.895 3.960 0.026 0.000 0.200 283 G HA3 -0.081 3.895 3.960 0.026 0.000 0.200 283 G C -0.290 174.542 174.900 -0.114 0.000 1.205 283 G CA -0.651 44.403 45.100 -0.078 0.000 1.116 283 G HN 0.414 nan 8.290 nan 0.000 0.547 284 G N -1.787 106.950 108.800 -0.106 0.000 3.119 284 G HA2 0.645 4.621 3.960 0.026 0.000 0.206 284 G HA3 0.645 4.621 3.960 0.026 0.000 0.206 284 G C -1.417 173.365 174.900 -0.197 0.000 1.313 284 G CA -0.749 44.284 45.100 -0.111 0.000 1.010 284 G HN 0.753 nan 8.290 nan 0.000 0.578 285 Y N 0.413 120.721 120.300 0.014 0.000 2.353 285 Y HA 0.476 5.041 4.550 0.025 0.000 0.340 285 Y C 1.239 177.153 175.900 0.023 0.000 0.972 285 Y CA -0.189 57.919 58.100 0.014 0.000 1.157 285 Y CB 2.097 40.569 38.460 0.019 0.000 1.157 285 Y HN 0.509 nan 8.280 nan 0.000 0.495 286 A N 1.559 124.454 122.820 0.125 0.000 2.016 286 A HA -0.107 4.228 4.320 0.026 0.000 0.217 286 A C 1.264 178.881 177.584 0.055 0.000 1.162 286 A CA 1.187 53.271 52.037 0.079 0.000 0.662 286 A CB -0.230 18.780 19.000 0.017 0.000 0.812 286 A HN 0.804 nan 8.150 nan 0.000 0.450 287 D N -0.534 119.867 120.400 0.001 0.000 2.434 287 D HA 0.161 4.816 4.640 0.026 0.000 0.232 287 D C 0.419 176.678 176.300 -0.068 0.000 1.166 287 D CA 0.042 53.915 54.000 -0.211 0.000 0.830 287 D CB -0.138 40.565 40.800 -0.161 0.000 0.960 287 D HN 0.334 nan 8.370 nan 0.000 0.497 288 R N -0.825 119.804 120.500 0.216 0.000 2.808 288 R HA 0.735 5.090 4.340 0.026 0.000 0.272 288 R C -1.745 174.753 176.300 0.331 0.000 0.995 288 R CA -1.111 55.152 56.100 0.271 0.000 0.917 288 R CB 3.131 33.488 30.300 0.096 0.000 1.217 288 R HN -0.006 nan 8.270 nan 0.000 0.471 289 V N 0.737 120.761 119.914 0.183 0.000 3.023 289 V HA 0.448 4.584 4.120 0.026 0.000 0.294 289 V C -1.591 174.488 176.094 -0.026 0.000 1.324 289 V CA -0.295 62.019 62.300 0.024 0.000 0.979 289 V CB 2.698 34.401 31.823 -0.200 0.000 1.093 289 V HN 0.810 nan 8.190 nan 0.000 0.434 290 T N 7.354 121.891 114.554 -0.029 0.000 2.779 290 T HA 0.672 5.038 4.350 0.026 0.000 0.280 290 T C -0.448 174.227 174.700 -0.043 0.000 0.987 290 T CA -0.293 61.790 62.100 -0.029 0.000 0.966 290 T CB 1.027 69.889 68.868 -0.010 0.000 0.933 290 T HN 0.829 nan 8.240 nan 0.000 0.442 291 L N 1.311 122.508 121.223 -0.043 0.000 2.344 291 L HA 0.810 5.165 4.340 0.026 0.000 0.272 291 L C -0.002 176.848 176.870 -0.033 0.000 1.035 291 L CA -0.939 53.873 54.840 -0.046 0.000 0.807 291 L CB 0.960 42.981 42.059 -0.063 0.000 1.237 291 L HN 0.387 nan 8.230 nan 0.000 0.442 292 R N 2.868 123.348 120.500 -0.035 0.000 2.467 292 R HA 0.619 4.975 4.340 0.026 0.000 0.299 292 R C -1.547 174.733 176.300 -0.034 0.000 1.120 292 R CA -0.458 55.623 56.100 -0.032 0.000 0.940 292 R CB 1.343 31.624 30.300 -0.031 0.000 1.161 292 R HN 0.645 nan 8.270 nan 0.000 0.506 293 L N 2.405 123.609 121.223 -0.031 0.000 2.307 293 L HA 0.487 4.842 4.340 0.026 0.000 0.284 293 L C -0.189 176.663 176.870 -0.030 0.000 1.023 293 L CA -1.088 53.732 54.840 -0.033 0.000 0.810 293 L CB 1.625 43.665 42.059 -0.031 0.000 1.231 293 L HN 0.377 nan 8.230 nan 0.000 0.423 294 N N 1.299 119.975 118.700 -0.039 0.000 2.479 294 N HA 0.481 5.237 4.740 0.026 0.000 0.285 294 N C -1.002 174.472 175.510 -0.059 0.000 1.075 294 N CA -0.251 52.774 53.050 -0.042 0.000 0.967 294 N CB 1.965 40.428 38.487 -0.039 0.000 1.137 294 N HN 0.249 nan 8.380 nan 0.000 0.472 295 V N 1.802 121.668 119.914 -0.080 0.000 2.487 295 V HA 0.270 4.406 4.120 0.026 0.000 0.298 295 V C -0.157 175.865 176.094 -0.120 0.000 1.028 295 V CA -0.768 61.447 62.300 -0.143 0.000 0.860 295 V CB 1.662 33.303 31.823 -0.303 0.000 0.991 295 V HN 0.589 nan 8.190 nan 0.000 0.427 296 E N 3.898 124.045 120.200 -0.087 0.000 2.227 296 E HA 0.258 4.623 4.350 0.026 0.000 0.282 296 E C -0.090 176.484 176.600 -0.045 0.000 1.015 296 E CA -0.262 56.109 56.400 -0.048 0.000 0.823 296 E CB 0.716 30.400 29.700 -0.027 0.000 1.081 296 E HN 0.670 nan 8.360 nan 0.000 0.396 297 N N 2.569 121.262 118.700 -0.010 0.000 2.688 297 N HA -0.127 4.628 4.740 0.026 0.000 0.258 297 N C -2.404 173.097 175.510 -0.015 0.000 1.016 297 N CA 0.241 53.298 53.050 0.012 0.000 0.747 297 N CB -0.999 37.500 38.487 0.019 0.000 0.895 297 N HN 0.333 nan 8.380 nan 0.000 0.543 298 P HA 0.020 nan 4.420 nan 0.000 0.267 298 P C 0.160 177.458 177.300 -0.003 0.000 1.200 298 P CA 0.421 63.395 63.100 -0.209 0.000 0.772 298 P CB 0.731 32.154 31.700 -0.462 0.000 0.855 299 K N 2.562 123.048 120.400 0.143 0.000 2.284 299 K HA 0.277 4.612 4.320 0.026 0.000 0.287 299 K C -0.002 176.748 176.600 0.250 0.000 1.081 299 K CA -0.414 55.980 56.287 0.179 0.000 0.910 299 K CB 0.147 32.769 32.500 0.204 0.000 1.088 299 K HN 0.460 nan 8.250 nan 0.000 0.478 300 L N 3.087 124.377 121.223 0.111 0.000 2.371 300 L HA 0.249 4.604 4.340 0.026 0.000 0.272 300 L C 0.203 177.143 176.870 0.116 0.000 1.124 300 L CA -0.827 54.080 54.840 0.112 0.000 0.816 300 L CB 0.373 42.323 42.059 -0.182 0.000 1.129 300 L HN 0.560 nan 8.230 nan 0.000 0.448 301 W N 3.514 124.841 121.300 0.044 0.000 2.251 301 W HA 0.416 5.090 4.660 0.025 0.000 0.329 301 W C 0.249 176.704 176.519 -0.106 0.000 1.234 301 W CA 0.358 57.711 57.345 0.013 0.000 1.228 301 W CB 1.130 30.640 29.460 0.084 0.000 1.135 301 W HN 0.631 nan 8.180 nan 0.000 0.576 302 S N 2.820 118.026 115.700 -0.824 0.000 2.587 302 S HA 0.584 5.070 4.470 0.026 0.000 0.269 302 S C 0.052 173.938 174.600 -1.189 0.000 1.154 302 S CA -0.374 57.413 58.200 -0.689 0.000 0.824 302 S CB 1.009 63.933 63.200 -0.460 0.000 1.118 302 S HN 1.070 nan 8.310 nan 0.000 0.462 303 A N 0.673 123.010 122.820 -0.804 0.000 2.070 303 A HA 0.042 4.377 4.320 0.026 0.000 0.220 303 A C 1.739 178.947 177.584 -0.626 0.000 1.159 303 A CA 1.597 53.002 52.037 -1.053 0.000 0.656 303 A CB -0.936 17.121 19.000 -1.571 0.000 0.800 303 A HN 0.879 nan 8.150 nan 0.000 0.453 304 E N -1.056 118.927 120.200 -0.362 0.000 2.028 304 E HA 0.049 4.414 4.350 0.026 0.000 0.190 304 E C -0.426 176.021 176.600 -0.256 0.000 0.984 304 E CA 0.674 56.940 56.400 -0.222 0.000 0.800 304 E CB 0.035 29.741 29.700 0.009 0.000 0.758 304 E HN 0.557 nan 8.360 nan 0.000 0.448 305 I N 1.276 121.666 120.570 -0.300 0.000 2.468 305 I HA 0.146 4.331 4.170 0.026 0.000 0.284 305 I C -2.468 173.390 176.117 -0.431 0.000 1.038 305 I CA -2.062 59.081 61.300 -0.262 0.000 1.083 305 I CB 2.522 40.424 38.000 -0.163 0.000 1.223 305 I HN -0.178 nan 8.210 nan 0.000 0.443 306 P HA 0.133 nan 4.420 nan 0.000 0.214 306 P C -0.731 176.564 177.300 -0.008 0.000 1.807 306 P CA -0.450 62.318 63.100 -0.554 0.000 0.921 306 P CB -0.341 31.209 31.700 -0.250 0.000 1.835 307 N N 1.504 120.221 118.700 0.028 0.000 2.294 307 N HA -0.002 4.753 4.740 0.026 0.000 0.263 307 N C -0.024 175.737 175.510 0.417 0.000 1.281 307 N CA 0.884 54.040 53.050 0.177 0.000 0.846 307 N CB 0.452 39.058 38.487 0.197 0.000 1.061 307 N HN 0.303 nan 8.380 nan 0.000 0.478 308 L N 2.648 124.018 121.223 0.245 0.000 2.422 308 L HA 0.418 4.773 4.340 0.026 0.000 0.264 308 L C -1.018 175.909 176.870 0.095 0.000 0.984 308 L CA -0.826 54.203 54.840 0.315 0.000 0.819 308 L CB 1.395 43.600 42.059 0.243 0.000 1.330 308 L HN 0.382 nan 8.230 nan 0.000 0.410 309 Y N 0.878 121.325 120.300 0.245 0.000 2.587 309 Y HA 0.615 5.181 4.550 0.026 0.000 0.337 309 Y C -0.013 176.011 175.900 0.207 0.000 1.065 309 Y CA -0.837 57.407 58.100 0.240 0.000 1.126 309 Y CB 1.790 40.439 38.460 0.314 0.000 1.279 309 Y HN 0.435 nan 8.280 nan 0.000 0.489 310 R N 1.184 121.905 120.500 0.369 0.000 2.514 310 R HA 0.864 5.219 4.340 0.026 0.000 0.301 310 R C -1.585 174.924 176.300 0.348 0.000 0.962 310 R CA -0.613 55.654 56.100 0.277 0.000 0.882 310 R CB 1.084 31.471 30.300 0.145 0.000 1.143 310 R HN 0.797 nan 8.270 nan 0.000 0.452 311 A N 3.852 126.820 122.820 0.246 0.000 2.331 311 A HA 0.586 4.922 4.320 0.026 0.000 0.320 311 A C -1.171 176.488 177.584 0.126 0.000 1.138 311 A CA -0.699 51.467 52.037 0.215 0.000 0.790 311 A CB 1.613 20.713 19.000 0.167 0.000 1.206 311 A HN 0.476 nan 8.150 nan 0.000 0.470 312 V N 2.750 122.750 119.914 0.144 0.000 2.417 312 V HA 0.462 4.598 4.120 0.026 0.000 0.291 312 V C -0.386 175.697 176.094 -0.019 0.000 1.024 312 V CA -0.575 61.752 62.300 0.045 0.000 0.861 312 V CB 1.482 33.369 31.823 0.107 0.000 0.985 312 V HN 0.602 nan 8.190 nan 0.000 0.436 313 V N 4.458 124.293 119.914 -0.132 0.000 2.313 313 V HA 0.429 4.565 4.120 0.026 0.000 0.278 313 V C -0.091 175.935 176.094 -0.113 0.000 1.017 313 V CA -0.522 61.675 62.300 -0.173 0.000 0.823 313 V CB 1.271 32.855 31.823 -0.399 0.000 1.010 313 V HN 0.942 nan 8.190 nan 0.000 0.443 314 E N 3.403 123.577 120.200 -0.043 0.000 2.204 314 E HA 0.626 4.991 4.350 0.026 0.000 0.276 314 E C -0.961 175.590 176.600 -0.082 0.000 0.974 314 E CA -0.729 55.679 56.400 0.014 0.000 0.815 314 E CB 2.389 32.206 29.700 0.196 0.000 1.119 314 E HN 0.520 nan 8.360 nan 0.000 0.393 315 L N 4.929 126.116 121.223 -0.061 0.000 2.345 315 L HA 0.358 4.714 4.340 0.026 0.000 0.274 315 L C -1.215 175.636 176.870 -0.031 0.000 0.999 315 L CA -0.099 54.673 54.840 -0.114 0.000 0.849 315 L CB 0.340 42.382 42.059 -0.029 0.000 1.220 315 L HN 0.624 nan 8.230 nan 0.000 0.422 316 H N 0.894 119.987 119.070 0.039 0.000 2.949 316 H HA 0.620 5.191 4.556 0.026 0.000 0.356 316 H C -0.803 174.563 175.328 0.063 0.000 1.212 316 H CA -0.462 55.607 56.048 0.034 0.000 1.136 316 H CB 1.308 31.077 29.762 0.011 0.000 1.869 316 H HN 0.499 nan 8.280 nan 0.000 0.556 317 T N -2.331 112.368 114.554 0.243 0.000 2.816 317 T HA 0.398 4.764 4.350 0.026 0.000 0.282 317 T C 1.456 176.311 174.700 0.258 0.000 0.993 317 T CA -0.099 62.111 62.100 0.183 0.000 0.994 317 T CB 1.009 69.852 68.868 -0.042 0.000 1.025 317 T HN 0.760 nan 8.240 nan 0.000 0.529 318 A N 0.564 123.506 122.820 0.202 0.000 2.121 318 A HA 0.018 4.354 4.320 0.026 0.000 0.218 318 A C 1.710 179.333 177.584 0.064 0.000 1.154 318 A CA 1.523 53.660 52.037 0.167 0.000 0.679 318 A CB -1.244 17.840 19.000 0.140 0.000 0.795 318 A HN 1.032 nan 8.150 nan 0.000 0.458 319 D N -2.879 117.535 120.400 0.023 0.000 2.352 319 D HA 0.302 4.958 4.640 0.026 0.000 0.232 319 D C 1.118 177.392 176.300 -0.043 0.000 1.055 319 D CA 0.963 54.952 54.000 -0.019 0.000 0.891 319 D CB -0.161 40.615 40.800 -0.041 0.000 0.897 319 D HN 0.539 nan 8.370 nan 0.000 0.529 320 G N -0.750 108.009 108.800 -0.069 0.000 2.213 320 G HA2 -0.265 3.710 3.960 0.026 0.000 0.236 320 G HA3 -0.265 3.710 3.960 0.026 0.000 0.236 320 G C 0.426 175.272 174.900 -0.090 0.000 0.991 320 G CA 0.122 45.141 45.100 -0.136 0.000 0.629 320 G HN 0.409 nan 8.290 nan 0.000 0.517 321 T N 2.774 117.311 114.554 -0.028 0.000 2.769 321 T HA 0.456 4.822 4.350 0.026 0.000 0.293 321 T C 0.565 175.302 174.700 0.063 0.000 0.931 321 T CA -0.135 61.966 62.100 0.002 0.000 1.139 321 T CB 1.443 70.305 68.868 -0.010 0.000 0.881 321 T HN 0.323 nan 8.240 nan 0.000 0.532 322 L N 5.336 126.593 121.223 0.056 0.000 2.360 322 L HA 0.268 4.623 4.340 0.026 0.000 0.276 322 L C 1.046 177.959 176.870 0.071 0.000 1.121 322 L CA -0.032 54.866 54.840 0.095 0.000 0.845 322 L CB 0.440 42.537 42.059 0.065 0.000 1.143 322 L HN 0.767 nan 8.230 nan 0.000 0.452 323 I N 2.799 123.415 120.570 0.077 0.000 2.494 323 I HA 0.032 4.218 4.170 0.026 0.000 0.250 323 I C 0.692 176.820 176.117 0.019 0.000 1.112 323 I CA 0.552 61.877 61.300 0.041 0.000 1.438 323 I CB 0.372 38.397 38.000 0.041 0.000 1.111 323 I HN 0.688 nan 8.210 nan 0.000 0.431 324 E N 0.449 120.662 120.200 0.021 0.000 2.392 324 E HA 0.581 4.947 4.350 0.026 0.000 0.281 324 E C -2.006 174.604 176.600 0.017 0.000 1.088 324 E CA -0.760 55.644 56.400 0.007 0.000 0.850 324 E CB 1.830 31.497 29.700 -0.054 0.000 1.267 324 E HN -0.007 nan 8.360 nan 0.000 0.438 325 A N 2.196 125.050 122.820 0.056 0.000 2.486 325 A HA 0.696 5.032 4.320 0.026 0.000 0.300 325 A C -1.200 176.480 177.584 0.159 0.000 1.048 325 A CA -0.713 51.358 52.037 0.056 0.000 0.696 325 A CB 1.846 20.872 19.000 0.042 0.000 1.278 325 A HN 0.516 nan 8.150 nan 0.000 0.405 326 E N -0.139 120.076 120.200 0.025 0.000 2.359 326 E HA 0.831 5.197 4.350 0.026 0.000 0.266 326 E C -0.482 176.090 176.600 -0.046 0.000 0.920 326 E CA -0.639 55.822 56.400 0.101 0.000 0.788 326 E CB 2.496 32.131 29.700 -0.107 0.000 1.279 326 E HN 1.198 nan 8.360 nan 0.000 0.438 327 A N 0.020 122.933 122.820 0.155 0.000 2.599 327 A HA 0.760 5.096 4.320 0.026 0.000 0.290 327 A C -1.129 176.663 177.584 0.348 0.000 1.101 327 A CA -0.440 51.650 52.037 0.089 0.000 0.674 327 A CB 0.975 19.934 19.000 -0.067 0.000 1.277 327 A HN 0.877 nan 8.150 nan 0.000 0.419 328 C N -0.623 118.847 119.300 0.283 0.000 3.311 328 C HA 0.810 5.286 4.460 0.026 0.000 0.325 328 C C -1.478 173.626 174.990 0.189 0.000 1.352 328 C CA -0.923 58.265 59.018 0.282 0.000 1.308 328 C CB 1.165 29.119 27.740 0.356 0.000 1.619 328 C HN 0.811 nan 8.230 nan 0.000 0.469 329 D N 1.146 121.636 120.400 0.151 0.000 2.255 329 D HA 0.548 5.203 4.640 0.026 0.000 0.249 329 D C -0.330 176.038 176.300 0.113 0.000 1.078 329 D CA 0.152 54.239 54.000 0.145 0.000 0.896 329 D CB 2.000 42.884 40.800 0.141 0.000 1.194 329 D HN 0.536 nan 8.370 nan 0.000 0.429 330 V N 0.871 120.884 119.914 0.166 0.000 2.581 330 V HA 0.709 4.845 4.120 0.026 0.000 0.303 330 V C 0.586 176.776 176.094 0.159 0.000 1.041 330 V CA -0.740 61.617 62.300 0.094 0.000 0.907 330 V CB 2.051 33.929 31.823 0.092 0.000 0.994 330 V HN 0.640 nan 8.190 nan 0.000 0.442 331 G N 2.644 111.418 108.800 -0.044 0.000 2.626 331 G HA2 0.623 4.598 3.960 0.026 0.000 0.304 331 G HA3 0.623 4.598 3.960 0.026 0.000 0.304 331 G C -1.238 173.666 174.900 0.007 0.000 1.385 331 G CA -0.390 44.738 45.100 0.046 0.000 0.957 331 G HN 0.395 nan 8.290 nan 0.000 0.504 332 F N 2.451 122.566 119.950 0.275 0.000 2.404 332 F HA 0.531 5.074 4.527 0.026 0.000 0.359 332 F C 0.997 176.987 175.800 0.316 0.000 1.134 332 F CA -0.279 57.923 58.000 0.337 0.000 1.160 332 F CB 0.921 40.129 39.000 0.346 0.000 1.186 332 F HN 0.507 nan 8.300 nan 0.000 0.526 333 R N 1.115 121.845 120.500 0.383 0.000 2.663 333 R HA 0.552 4.907 4.340 0.026 0.000 0.267 333 R C -1.626 174.842 176.300 0.280 0.000 1.038 333 R CA -1.100 55.102 56.100 0.171 0.000 0.886 333 R CB 1.712 32.113 30.300 0.168 0.000 1.249 333 R HN 0.408 nan 8.270 nan 0.000 0.463 334 E N 1.539 121.813 120.200 0.123 0.000 2.210 334 E HA 0.467 4.833 4.350 0.026 0.000 0.266 334 E C -1.293 175.376 176.600 0.116 0.000 0.883 334 E CA -1.019 55.519 56.400 0.229 0.000 0.761 334 E CB 2.234 32.174 29.700 0.399 0.000 1.156 334 E HN 0.421 nan 8.360 nan 0.000 0.412 335 V N 4.936 124.911 119.914 0.102 0.000 2.409 335 V HA 0.600 4.736 4.120 0.026 0.000 0.291 335 V C -0.311 175.820 176.094 0.062 0.000 1.020 335 V CA -0.665 61.666 62.300 0.052 0.000 0.848 335 V CB 1.375 33.205 31.823 0.011 0.000 0.990 335 V HN 0.675 nan 8.190 nan 0.000 0.430 336 R N 4.097 124.631 120.500 0.057 0.000 2.680 336 R HA 0.639 4.994 4.340 0.026 0.000 0.269 336 R C -1.518 174.807 176.300 0.041 0.000 1.026 336 R CA -0.847 55.287 56.100 0.056 0.000 0.889 336 R CB 2.510 32.854 30.300 0.074 0.000 1.241 336 R HN 0.558 nan 8.270 nan 0.000 0.463 337 I N 2.122 122.716 120.570 0.039 0.000 2.307 337 I HA 0.241 4.426 4.170 0.026 0.000 0.289 337 I C -0.258 175.880 176.117 0.035 0.000 1.021 337 I CA -0.213 61.107 61.300 0.033 0.000 1.224 337 I CB 1.182 39.202 38.000 0.034 0.000 1.376 337 I HN 0.657 nan 8.210 nan 0.000 0.470 338 E N 6.241 126.460 120.200 0.032 0.000 2.292 338 E HA 0.301 4.666 4.350 0.026 0.000 0.272 338 E C -0.035 176.579 176.600 0.024 0.000 0.881 338 E CA -0.704 55.715 56.400 0.031 0.000 0.754 338 E CB 1.347 31.069 29.700 0.037 0.000 1.201 338 E HN 0.461 nan 8.360 nan 0.000 0.425 339 N N 2.572 121.285 118.700 0.021 0.000 2.708 339 N HA -0.232 4.524 4.740 0.026 0.000 0.249 339 N C 0.674 176.192 175.510 0.013 0.000 1.097 339 N CA 2.225 55.285 53.050 0.016 0.000 0.710 339 N CB -1.219 37.276 38.487 0.014 0.000 1.032 339 N HN 1.232 nan 8.380 nan 0.000 0.551 340 G N -2.525 106.284 108.800 0.014 0.000 2.176 340 G HA2 -0.280 3.695 3.960 0.026 0.000 0.253 340 G HA3 -0.280 3.695 3.960 0.026 0.000 0.253 340 G C -0.076 174.825 174.900 0.003 0.000 0.979 340 G CA 0.510 45.617 45.100 0.010 0.000 0.641 340 G HN 0.472 nan 8.290 nan 0.000 0.530 341 L N -0.153 121.072 121.223 0.003 0.000 2.333 341 L HA 0.761 5.116 4.340 0.026 0.000 0.269 341 L C 0.159 177.027 176.870 -0.003 0.000 1.010 341 L CA -1.433 53.404 54.840 -0.006 0.000 0.818 341 L CB 1.696 43.752 42.059 -0.005 0.000 1.306 341 L HN 0.050 nan 8.230 nan 0.000 0.430 342 L N 3.291 124.503 121.223 -0.018 0.000 2.331 342 L HA 0.483 4.839 4.340 0.026 0.000 0.278 342 L C -0.711 176.151 176.870 -0.013 0.000 1.106 342 L CA 0.351 55.180 54.840 -0.018 0.000 0.824 342 L CB 0.437 42.473 42.059 -0.040 0.000 1.142 342 L HN 0.345 nan 8.230 nan 0.000 0.443 343 L N 5.641 126.868 121.223 0.007 0.000 2.388 343 L HA 0.577 4.933 4.340 0.026 0.000 0.264 343 L C -1.184 175.708 176.870 0.036 0.000 0.998 343 L CA -0.940 53.917 54.840 0.029 0.000 0.817 343 L CB 2.093 44.191 42.059 0.066 0.000 1.338 343 L HN 0.443 nan 8.230 nan 0.000 0.414 344 L N 2.928 124.190 121.223 0.066 0.000 2.381 344 L HA 0.529 4.884 4.340 0.026 0.000 0.274 344 L C -0.167 176.776 176.870 0.121 0.000 0.988 344 L CA 0.073 54.956 54.840 0.071 0.000 0.824 344 L CB 1.333 43.436 42.059 0.074 0.000 1.263 344 L HN 0.585 nan 8.230 nan 0.000 0.410 345 N N 4.079 122.739 118.700 -0.067 0.000 2.708 345 N HA -0.227 4.529 4.740 0.026 0.000 0.251 345 N C 1.018 176.491 175.510 -0.061 0.000 1.017 345 N CA 1.317 54.133 53.050 -0.390 0.000 0.742 345 N CB -1.249 36.786 38.487 -0.753 0.000 0.943 345 N HN 1.178 nan 8.380 nan 0.000 0.539 346 G N -1.703 107.217 108.800 0.201 0.000 2.175 346 G HA2 -0.372 3.604 3.960 0.026 0.000 0.265 346 G HA3 -0.372 3.604 3.960 0.026 0.000 0.265 346 G C 0.041 175.026 174.900 0.142 0.000 0.979 346 G CA 1.065 46.312 45.100 0.244 0.000 0.663 346 G HN 0.510 nan 8.290 nan 0.000 0.533 347 K N 0.479 120.944 120.400 0.109 0.000 2.259 347 K HA 0.534 4.869 4.320 0.026 0.000 0.249 347 K C -2.853 173.740 176.600 -0.011 0.000 0.942 347 K CA -1.894 54.391 56.287 -0.003 0.000 0.816 347 K CB 3.002 35.395 32.500 -0.179 0.000 1.155 347 K HN 0.022 nan 8.250 nan 0.000 0.428 348 P HA 0.338 nan 4.420 nan 0.000 0.294 348 P C -0.348 176.913 177.300 -0.064 0.000 1.294 348 P CA -0.577 62.500 63.100 -0.039 0.000 0.827 348 P CB 0.810 32.489 31.700 -0.036 0.000 0.992 349 L N 2.530 123.716 121.223 -0.062 0.000 2.475 349 L HA 0.373 4.729 4.340 0.026 0.000 0.253 349 L C 0.345 177.174 176.870 -0.068 0.000 1.198 349 L CA -0.530 54.273 54.840 -0.062 0.000 0.814 349 L CB 0.122 42.119 42.059 -0.105 0.000 1.134 349 L HN 0.227 nan 8.230 nan 0.000 0.478 350 L N 2.586 123.788 121.223 -0.035 0.000 2.518 350 L HA 0.418 4.774 4.340 0.026 0.000 0.262 350 L C -0.668 176.204 176.870 0.003 0.000 0.982 350 L CA -0.376 54.432 54.840 -0.052 0.000 0.873 350 L CB 1.045 43.109 42.059 0.009 0.000 1.198 350 L HN 0.213 nan 8.230 nan 0.000 0.427 351 I N 4.338 124.849 120.570 -0.097 0.000 2.452 351 I HA 0.244 4.430 4.170 0.026 0.000 0.287 351 I C 0.590 176.685 176.117 -0.037 0.000 1.079 351 I CA 0.084 61.331 61.300 -0.089 0.000 1.387 351 I CB 0.534 38.365 38.000 -0.282 0.000 1.404 351 I HN 0.487 nan 8.210 nan 0.000 0.522 352 R N 4.838 125.381 120.500 0.072 0.000 2.396 352 R HA 0.604 4.959 4.340 0.026 0.000 0.292 352 R C 0.268 176.696 176.300 0.212 0.000 1.240 352 R CA -0.358 55.835 56.100 0.154 0.000 1.270 352 R CB 1.211 31.438 30.300 -0.120 0.000 1.108 352 R HN 0.807 nan 8.270 nan 0.000 0.573 353 G N 0.245 109.102 108.800 0.095 0.000 2.630 353 G HA2 0.641 4.617 3.960 0.026 0.000 0.296 353 G HA3 0.641 4.617 3.960 0.026 0.000 0.296 353 G C -1.489 173.540 174.900 0.215 0.000 1.285 353 G CA -0.602 44.481 45.100 -0.028 0.000 0.958 353 G HN 0.225 nan 8.290 nan 0.000 0.479 354 V N -0.137 119.914 119.914 0.228 0.000 3.007 354 V HA 0.564 4.699 4.120 0.026 0.000 0.311 354 V C -1.195 175.000 176.094 0.167 0.000 1.120 354 V CA -1.268 61.090 62.300 0.096 0.000 0.980 354 V CB 2.340 33.873 31.823 -0.483 0.000 1.033 354 V HN 0.695 nan 8.190 nan 0.000 0.429 355 N N 4.184 122.877 118.700 -0.012 0.000 2.434 355 N HA 0.419 5.175 4.740 0.026 0.000 0.272 355 N C -0.822 174.456 175.510 -0.387 0.000 1.040 355 N CA -0.223 52.680 53.050 -0.244 0.000 0.956 355 N CB 1.345 39.606 38.487 -0.376 0.000 1.108 355 N HN 0.634 nan 8.380 nan 0.000 0.481 356 R N 2.706 122.975 120.500 -0.386 0.000 2.500 356 R HA 0.231 4.586 4.340 0.026 0.000 0.299 356 R C -1.134 174.937 176.300 -0.381 0.000 1.038 356 R CA -0.507 55.398 56.100 -0.325 0.000 0.903 356 R CB 0.591 30.696 30.300 -0.324 0.000 1.177 356 R HN 0.621 nan 8.270 nan 0.000 0.455 357 H N 1.425 120.344 119.070 -0.252 0.000 2.508 357 H HA 0.145 4.717 4.556 0.027 0.000 0.358 357 H C -0.374 174.939 175.328 -0.024 0.000 1.212 357 H CA 0.026 55.993 56.048 -0.134 0.000 1.356 357 H CB 1.275 31.027 29.762 -0.017 0.000 1.525 357 H HN 0.460 nan 8.280 nan 0.000 0.578 358 E N 1.632 122.030 120.200 0.330 0.000 2.052 358 E HA 0.126 4.491 4.350 0.026 0.000 0.283 358 E C -1.055 175.713 176.600 0.280 0.000 1.071 358 E CA -0.010 56.518 56.400 0.213 0.000 0.851 358 E CB 0.350 30.175 29.700 0.207 0.000 1.066 358 E HN 0.420 nan 8.360 nan 0.000 0.396 359 H N 1.811 120.951 119.070 0.115 0.000 3.026 359 H HA 0.229 4.801 4.556 0.026 0.000 0.352 359 H C -1.750 173.628 175.328 0.084 0.000 1.090 359 H CA -0.655 55.453 56.048 0.100 0.000 1.268 359 H CB 0.931 30.741 29.762 0.079 0.000 1.816 359 H HN 0.426 nan 8.280 nan 0.000 0.518 360 H N 6.081 124.813 119.070 -0.563 0.000 2.547 360 H HA 0.210 4.782 4.556 0.026 0.000 0.342 360 H C -2.181 172.744 175.328 -0.672 0.000 1.048 360 H CA -2.384 53.393 56.048 -0.452 0.000 1.204 360 H CB 2.588 32.268 29.762 -0.137 0.000 1.493 360 H HN 0.567 nan 8.280 nan 0.000 0.511 361 P HA -0.062 nan 4.420 nan 0.000 0.221 361 P C 1.251 178.440 177.300 -0.185 0.000 1.150 361 P CA 0.737 63.636 63.100 -0.335 0.000 0.800 361 P CB 0.875 32.420 31.700 -0.258 0.000 0.787 362 L N -1.875 119.367 121.223 0.032 0.000 2.349 362 L HA 0.108 4.463 4.340 0.026 0.000 0.200 362 L C 2.334 179.106 176.870 -0.163 0.000 1.064 362 L CA 0.749 55.519 54.840 -0.117 0.000 0.821 362 L CB -0.651 41.252 42.059 -0.261 0.000 1.027 362 L HN -0.030 nan 8.230 nan 0.000 0.476 363 H N -0.566 118.509 119.070 0.009 0.000 2.539 363 H HA 0.199 4.770 4.556 0.026 0.000 0.267 363 H C 1.359 176.621 175.328 -0.109 0.000 0.982 363 H CA 0.165 56.130 56.048 -0.140 0.000 1.146 363 H CB 0.320 29.853 29.762 -0.381 0.000 1.382 363 H HN 0.422 nan 8.280 nan 0.000 0.577 364 G N 1.357 110.137 108.800 -0.034 0.000 2.514 364 G HA2 -0.372 3.604 3.960 0.026 0.000 0.265 364 G HA3 -0.372 3.604 3.960 0.026 0.000 0.265 364 G C 0.264 175.144 174.900 -0.032 0.000 1.150 364 G CA 0.122 45.157 45.100 -0.109 0.000 0.959 364 G HN 0.454 nan 8.290 nan 0.000 0.556 365 Q N 0.133 119.911 119.800 -0.038 0.000 2.242 365 Q HA 0.485 4.840 4.340 0.026 0.000 0.246 365 Q C 0.016 176.092 176.000 0.127 0.000 0.883 365 Q CA -0.128 55.684 55.803 0.016 0.000 0.984 365 Q CB 0.944 29.609 28.738 -0.121 0.000 1.096 365 Q HN 0.433 nan 8.270 nan 0.000 0.452 366 V N 1.587 121.562 119.914 0.102 0.000 2.364 366 V HA 0.238 4.374 4.120 0.026 0.000 0.272 366 V C 0.052 176.200 176.094 0.090 0.000 1.036 366 V CA -0.501 61.862 62.300 0.104 0.000 0.880 366 V CB 0.762 32.578 31.823 -0.012 0.000 0.991 366 V HN 0.400 nan 8.190 nan 0.000 0.460 367 M N 5.521 125.205 119.600 0.141 0.000 2.249 367 M HA 0.407 4.902 4.480 0.026 0.000 0.351 367 M C -0.086 176.217 176.300 0.006 0.000 1.180 367 M CA -0.475 54.882 55.300 0.094 0.000 1.127 367 M CB 1.072 33.732 32.600 0.100 0.000 1.546 367 M HN 0.863 nan 8.290 nan 0.000 0.461 368 D N 0.981 121.368 120.400 -0.022 0.000 2.527 368 D HA 0.194 4.849 4.640 0.026 0.000 0.233 368 D C 0.180 176.461 176.300 -0.032 0.000 1.063 368 D CA -0.429 53.542 54.000 -0.047 0.000 0.880 368 D CB 1.706 42.489 40.800 -0.027 0.000 1.457 368 D HN 0.736 nan 8.370 nan 0.000 0.475 369 E N 0.577 120.755 120.200 -0.037 0.000 2.070 369 E HA -0.299 4.067 4.350 0.026 0.000 0.197 369 E C 1.417 178.048 176.600 0.052 0.000 1.004 369 E CA 1.681 58.083 56.400 0.004 0.000 0.805 369 E CB 0.179 29.894 29.700 0.024 0.000 0.744 369 E HN 0.394 nan 8.360 nan 0.000 0.451 370 Q N 0.179 120.016 119.800 0.063 0.000 1.956 370 Q HA -0.187 4.169 4.340 0.026 0.000 0.208 370 Q C 2.430 178.489 176.000 0.099 0.000 0.998 370 Q CA 2.128 57.980 55.803 0.081 0.000 0.855 370 Q CB -1.282 27.507 28.738 0.084 0.000 0.928 370 Q HN 0.332 nan 8.270 nan 0.000 0.418 371 T N 2.202 116.832 114.554 0.127 0.000 2.653 371 T HA -0.252 4.114 4.350 0.026 0.000 0.267 371 T C 2.026 176.818 174.700 0.153 0.000 1.037 371 T CA 2.380 64.575 62.100 0.158 0.000 1.159 371 T CB -0.337 68.665 68.868 0.224 0.000 0.859 371 T HN 0.278 nan 8.240 nan 0.000 0.449 372 M N 0.246 119.938 119.600 0.154 0.000 2.065 372 M HA -0.101 4.394 4.480 0.026 0.000 0.259 372 M C 2.485 178.870 176.300 0.143 0.000 1.069 372 M CA 1.468 56.913 55.300 0.243 0.000 1.110 372 M CB -0.862 31.952 32.600 0.356 0.000 1.328 372 M HN 0.078 nan 8.290 nan 0.000 0.405 373 V N 0.344 120.287 119.914 0.048 0.000 2.380 373 V HA -0.305 3.830 4.120 0.026 0.000 0.251 373 V C 2.423 178.481 176.094 -0.059 0.000 1.063 373 V CA 1.927 64.181 62.300 -0.077 0.000 1.055 373 V CB -0.925 30.885 31.823 -0.022 0.000 0.657 373 V HN 0.539 nan 8.190 nan 0.000 0.455 374 Q N -0.331 119.495 119.800 0.043 0.000 1.993 374 Q HA -0.256 4.100 4.340 0.026 0.000 0.202 374 Q C 2.159 178.229 176.000 0.117 0.000 0.984 374 Q CA 2.178 58.029 55.803 0.081 0.000 0.837 374 Q CB -0.197 28.610 28.738 0.114 0.000 0.902 374 Q HN 0.628 nan 8.270 nan 0.000 0.423 375 D N 0.464 120.970 120.400 0.177 0.000 2.160 375 D HA -0.228 4.427 4.640 0.026 0.000 0.189 375 D C 1.909 178.179 176.300 -0.050 0.000 1.003 375 D CA 1.360 55.473 54.000 0.189 0.000 0.846 375 D CB -0.518 40.394 40.800 0.187 0.000 0.949 375 D HN 0.274 nan 8.370 nan 0.000 0.446 376 I N 0.493 120.999 120.570 -0.106 0.000 2.064 376 I HA -0.355 3.831 4.170 0.026 0.000 0.234 376 I C 2.514 178.496 176.117 -0.226 0.000 1.019 376 I CA 1.267 62.397 61.300 -0.283 0.000 1.301 376 I CB -0.410 37.296 38.000 -0.489 0.000 1.017 376 I HN 0.014 nan 8.210 nan 0.000 0.392 377 L N -0.160 120.946 121.223 -0.196 0.000 2.021 377 L HA -0.290 4.065 4.340 0.026 0.000 0.215 377 L C 2.538 179.461 176.870 0.089 0.000 1.074 377 L CA 1.491 56.318 54.840 -0.022 0.000 0.760 377 L CB -0.931 41.137 42.059 0.015 0.000 0.889 377 L HN 0.313 nan 8.230 nan 0.000 0.433 378 L N -0.743 120.559 121.223 0.132 0.000 2.043 378 L HA -0.276 4.079 4.340 0.026 0.000 0.212 378 L C 2.731 179.791 176.870 0.316 0.000 1.075 378 L CA 1.764 56.776 54.840 0.286 0.000 0.752 378 L CB -0.237 42.110 42.059 0.481 0.000 0.891 378 L HN 0.383 nan 8.230 nan 0.000 0.432 379 M N -1.358 118.271 119.600 0.048 0.000 2.156 379 M HA -0.186 4.310 4.480 0.026 0.000 0.264 379 M C 2.104 178.479 176.300 0.124 0.000 1.067 379 M CA 1.465 56.728 55.300 -0.062 0.000 1.131 379 M CB -0.433 31.833 32.600 -0.555 0.000 1.368 379 M HN 0.035 nan 8.290 nan 0.000 0.416 380 K N 0.574 120.965 120.400 -0.016 0.000 2.283 380 K HA -0.123 4.213 4.320 0.026 0.000 0.202 380 K C 1.834 178.436 176.600 0.004 0.000 1.048 380 K CA 1.130 57.321 56.287 -0.159 0.000 0.948 380 K CB -0.059 32.195 32.500 -0.410 0.000 0.742 380 K HN 0.514 nan 8.250 nan 0.000 0.458 381 Q N -0.173 119.768 119.800 0.234 0.000 2.389 381 Q HA 0.040 4.395 4.340 0.026 0.000 0.204 381 Q C 0.876 177.154 176.000 0.463 0.000 0.944 381 Q CA 0.446 56.481 55.803 0.387 0.000 0.908 381 Q CB 0.366 29.270 28.738 0.276 0.000 1.002 381 Q HN 0.220 nan 8.270 nan 0.000 0.493 382 N N 0.827 119.735 118.700 0.347 0.000 2.251 382 N HA 0.045 4.801 4.740 0.026 0.000 0.217 382 N C -0.626 174.900 175.510 0.027 0.000 1.124 382 N CA 0.116 53.332 53.050 0.278 0.000 0.843 382 N CB 0.705 39.415 38.487 0.371 0.000 1.024 382 N HN 0.149 nan 8.380 nan 0.000 0.501 383 N N 0.027 118.766 118.700 0.065 0.000 2.818 383 N HA -0.173 4.583 4.740 0.026 0.000 0.250 383 N C -0.952 174.353 175.510 -0.342 0.000 1.108 383 N CA 0.659 53.639 53.050 -0.116 0.000 0.745 383 N CB -1.883 36.397 38.487 -0.346 0.000 1.104 383 N HN 0.243 nan 8.380 nan 0.000 0.557 384 F N 1.028 120.956 119.950 -0.035 0.000 2.399 384 F HA 0.344 4.886 4.527 0.025 0.000 0.334 384 F C 1.740 177.505 175.800 -0.057 0.000 1.097 384 F CA -0.645 57.320 58.000 -0.058 0.000 1.076 384 F CB 0.978 39.922 39.000 -0.094 0.000 1.162 384 F HN 0.021 nan 8.300 nan 0.000 0.495 385 N N 0.810 119.604 118.700 0.156 0.000 2.166 385 N HA 0.403 5.159 4.740 0.026 0.000 0.213 385 N C -0.638 174.876 175.510 0.006 0.000 1.222 385 N CA 0.012 53.072 53.050 0.017 0.000 0.900 385 N CB 0.752 39.284 38.487 0.074 0.000 1.055 385 N HN 0.441 nan 8.380 nan 0.000 0.515 386 A N -0.431 122.474 122.820 0.142 0.000 2.594 386 A HA 0.781 5.116 4.320 0.026 0.000 0.291 386 A C -1.713 176.030 177.584 0.266 0.000 1.105 386 A CA -0.749 51.422 52.037 0.223 0.000 0.694 386 A CB 1.844 21.057 19.000 0.355 0.000 1.291 386 A HN 0.114 nan 8.150 nan 0.000 0.410 387 V N 0.886 121.014 119.914 0.357 0.000 2.760 387 V HA 0.770 4.905 4.120 0.026 0.000 0.309 387 V C -0.612 175.618 176.094 0.226 0.000 1.077 387 V CA -0.712 61.758 62.300 0.284 0.000 0.910 387 V CB 1.818 33.726 31.823 0.142 0.000 1.008 387 V HN 1.080 nan 8.190 nan 0.000 0.424 388 R N 5.142 125.608 120.500 -0.057 0.000 2.387 388 R HA 0.435 4.790 4.340 0.026 0.000 0.314 388 R C -0.675 175.469 176.300 -0.260 0.000 0.958 388 R CA -0.510 55.371 56.100 -0.365 0.000 0.846 388 R CB 1.163 30.921 30.300 -0.903 0.000 1.147 388 R HN 0.789 nan 8.270 nan 0.000 0.447 389 C N 4.430 123.622 119.300 -0.180 0.000 3.461 389 C HA 0.070 4.546 4.460 0.026 0.000 0.525 389 C C 0.570 175.296 174.990 -0.440 0.000 1.028 389 C CA -0.267 58.598 59.018 -0.256 0.000 1.068 389 C CB -2.290 25.408 27.740 -0.070 0.000 1.402 389 C HN 0.675 nan 8.230 nan 0.000 0.612 390 S N 1.106 116.416 115.700 -0.649 0.000 2.488 390 S HA 0.182 4.668 4.470 0.026 0.000 0.278 390 S C 0.049 173.725 174.600 -1.540 0.000 1.259 390 S CA -0.004 57.565 58.200 -1.051 0.000 1.061 390 S CB 0.365 62.827 63.200 -1.231 0.000 0.910 390 S HN 0.709 nan 8.310 nan 0.000 0.491 391 H N 3.108 121.483 119.070 -1.158 0.000 2.591 391 H HA 0.312 4.883 4.556 0.026 0.000 0.241 391 H C -1.002 174.197 175.328 -0.215 0.000 1.292 391 H CA -0.316 55.486 56.048 -0.410 0.000 1.022 391 H CB -0.196 29.540 29.762 -0.043 0.000 1.875 391 H HN 0.877 nan 8.280 nan 0.000 0.570 392 Y N -3.161 117.217 120.300 0.129 0.000 2.779 392 Y HA 0.512 5.078 4.550 0.026 0.000 0.340 392 Y C -3.345 172.640 175.900 0.142 0.000 1.252 392 Y CA -3.459 54.730 58.100 0.148 0.000 1.072 392 Y CB -0.034 38.519 38.460 0.154 0.000 1.343 392 Y HN -0.202 nan 8.280 nan 0.000 0.450 393 P HA 0.229 nan 4.420 nan 0.000 0.276 393 P C -0.655 176.914 177.300 0.449 0.000 1.230 393 P CA 0.058 63.394 63.100 0.395 0.000 0.776 393 P CB 0.630 32.493 31.700 0.272 0.000 0.888 394 N N 0.780 119.746 118.700 0.443 0.000 2.408 394 N HA 0.047 4.803 4.740 0.026 0.000 0.260 394 N C 0.238 175.972 175.510 0.373 0.000 1.242 394 N CA -0.510 52.720 53.050 0.301 0.000 0.959 394 N CB 0.309 38.728 38.487 -0.114 0.000 1.201 394 N HN 0.582 nan 8.380 nan 0.000 0.511 395 H N 2.059 121.235 119.070 0.177 0.000 3.157 395 H HA -0.013 4.559 4.556 0.026 0.000 0.299 395 H C -1.595 173.923 175.328 0.317 0.000 0.961 395 H CA -0.944 55.210 56.048 0.176 0.000 1.428 395 H CB 0.816 30.649 29.762 0.118 0.000 1.459 395 H HN 0.439 nan 8.280 nan 0.000 0.566 396 P HA -0.309 nan 4.420 nan 0.000 0.224 396 P C 1.901 179.576 177.300 0.626 0.000 1.153 396 P CA 1.181 64.543 63.100 0.436 0.000 0.947 396 P CB 0.137 31.943 31.700 0.176 0.000 0.790 397 L N -1.087 120.541 121.223 0.675 0.000 2.013 397 L HA -0.166 4.190 4.340 0.026 0.000 0.212 397 L C 2.429 179.486 176.870 0.312 0.000 1.073 397 L CA 1.789 56.869 54.840 0.400 0.000 0.753 397 L CB -1.631 40.556 42.059 0.213 0.000 0.890 397 L HN 0.136 nan 8.230 nan 0.000 0.432 398 W N -0.482 120.857 121.300 0.064 0.000 2.235 398 W HA -0.453 4.221 4.660 0.025 0.000 0.330 398 W C 2.282 178.637 176.519 -0.274 0.000 1.329 398 W CA 2.469 59.708 57.345 -0.176 0.000 1.337 398 W CB -0.604 28.628 29.460 -0.380 0.000 1.115 398 W HN 0.315 nan 8.180 nan 0.000 0.491 399 Y N 0.568 120.819 120.300 -0.083 0.000 2.145 399 Y HA -0.247 4.318 4.550 0.025 0.000 0.286 399 Y C 2.873 178.492 175.900 -0.468 0.000 1.145 399 Y CA 2.304 60.102 58.100 -0.503 0.000 1.148 399 Y CB -1.447 36.395 38.460 -1.030 0.000 0.981 399 Y HN -0.178 nan 8.280 nan 0.000 0.507 400 T N 1.302 115.832 114.554 -0.041 0.000 2.597 400 T HA -0.257 4.108 4.350 0.026 0.000 0.267 400 T C 2.048 176.772 174.700 0.041 0.000 1.053 400 T CA 2.032 64.207 62.100 0.125 0.000 1.165 400 T CB -0.877 68.119 68.868 0.213 0.000 0.863 400 T HN 0.224 nan 8.240 nan 0.000 0.427 401 L N 0.530 121.749 121.223 -0.006 0.000 1.978 401 L HA -0.233 4.123 4.340 0.026 0.000 0.218 401 L C 3.058 179.898 176.870 -0.050 0.000 1.075 401 L CA 1.502 56.347 54.840 0.008 0.000 0.767 401 L CB -1.305 40.723 42.059 -0.052 0.000 0.890 401 L HN 0.407 nan 8.230 nan 0.000 0.434 402 C N 0.045 119.146 119.300 -0.332 0.000 2.391 402 C HA -0.223 4.253 4.460 0.026 0.000 0.276 402 C C 2.494 177.552 174.990 0.112 0.000 1.217 402 C CA 0.983 59.862 59.018 -0.231 0.000 1.766 402 C CB -1.029 26.473 27.740 -0.398 0.000 2.046 402 C HN 0.580 nan 8.230 nan 0.000 0.475 403 D N 0.064 120.522 120.400 0.096 0.000 2.123 403 D HA -0.111 4.544 4.640 0.026 0.000 0.196 403 D C 2.407 178.949 176.300 0.403 0.000 0.992 403 D CA 1.210 55.344 54.000 0.223 0.000 0.833 403 D CB -0.406 40.462 40.800 0.114 0.000 0.954 403 D HN 0.594 nan 8.370 nan 0.000 0.455 404 R N -0.750 119.864 120.500 0.190 0.000 2.080 404 R HA -0.014 4.341 4.340 0.026 0.000 0.222 404 R C 2.251 178.517 176.300 -0.057 0.000 1.107 404 R CA 0.599 56.741 56.100 0.069 0.000 0.980 404 R CB -0.408 29.857 30.300 -0.058 0.000 0.879 404 R HN 0.307 nan 8.270 nan 0.000 0.439 405 Y N 0.364 120.676 120.300 0.019 0.000 2.420 405 Y HA 0.138 4.703 4.550 0.025 0.000 0.292 405 Y C 1.025 176.841 175.900 -0.139 0.000 1.119 405 Y CA 0.929 59.006 58.100 -0.039 0.000 1.229 405 Y CB 0.497 38.907 38.460 -0.084 0.000 1.026 405 Y HN 0.314 nan 8.280 nan 0.000 0.554 406 G N 0.950 109.767 108.800 0.027 0.000 2.780 406 G HA2 -0.099 3.876 3.960 0.026 0.000 0.364 406 G HA3 -0.099 3.876 3.960 0.026 0.000 0.364 406 G C -1.260 173.470 174.900 -0.283 0.000 1.045 406 G CA -0.610 44.362 45.100 -0.213 0.000 1.202 406 G HN 0.162 nan 8.290 nan 0.000 0.534 407 L N 0.950 122.104 121.223 -0.115 0.000 2.472 407 L HA 0.503 4.859 4.340 0.026 0.000 0.260 407 L C -0.064 176.846 176.870 0.067 0.000 0.963 407 L CA -1.263 53.459 54.840 -0.196 0.000 0.829 407 L CB 1.967 43.924 42.059 -0.170 0.000 1.348 407 L HN 0.440 nan 8.230 nan 0.000 0.408 408 Y N 1.764 122.180 120.300 0.193 0.000 2.402 408 Y HA 0.389 4.956 4.550 0.029 0.000 0.333 408 Y C 0.149 176.151 175.900 0.169 0.000 1.076 408 Y CA -0.838 57.401 58.100 0.233 0.000 1.299 408 Y CB 1.339 39.915 38.460 0.194 0.000 1.197 408 Y HN 0.179 nan 8.280 nan 0.000 0.517 409 V N 4.765 124.836 119.914 0.261 0.000 2.555 409 V HA 0.265 4.401 4.120 0.026 0.000 0.302 409 V C -0.477 175.680 176.094 0.104 0.000 1.038 409 V CA -0.977 61.425 62.300 0.170 0.000 0.887 409 V CB 1.957 33.853 31.823 0.121 0.000 0.991 409 V HN 0.451 nan 8.190 nan 0.000 0.434 410 V N 3.609 123.563 119.914 0.067 0.000 2.320 410 V HA 0.265 4.400 4.120 0.026 0.000 0.265 410 V C -0.015 176.103 176.094 0.040 0.000 1.048 410 V CA -0.449 61.844 62.300 -0.013 0.000 0.865 410 V CB 1.132 32.881 31.823 -0.124 0.000 1.043 410 V HN 0.846 nan 8.190 nan 0.000 0.474 411 D N 4.171 124.617 120.400 0.078 0.000 2.389 411 D HA 0.249 4.905 4.640 0.026 0.000 0.247 411 D C -0.083 176.379 176.300 0.270 0.000 1.128 411 D CA 0.288 54.435 54.000 0.244 0.000 0.884 411 D CB 1.010 41.980 40.800 0.284 0.000 1.194 411 D HN 0.697 nan 8.370 nan 0.000 0.441 412 E N 1.363 121.700 120.200 0.230 0.000 2.292 412 E HA 0.587 4.953 4.350 0.026 0.000 0.272 412 E C -1.251 175.477 176.600 0.212 0.000 0.881 412 E CA -1.050 55.472 56.400 0.203 0.000 0.754 412 E CB 1.466 31.239 29.700 0.122 0.000 1.201 412 E HN 0.452 nan 8.360 nan 0.000 0.425 413 A N 3.401 126.343 122.820 0.203 0.000 2.445 413 A HA 0.110 4.445 4.320 0.026 0.000 0.242 413 A C 0.328 178.036 177.584 0.207 0.000 1.075 413 A CA -0.279 51.866 52.037 0.181 0.000 0.777 413 A CB 0.223 19.297 19.000 0.123 0.000 1.013 413 A HN 0.642 nan 8.150 nan 0.000 0.493 414 N N 1.269 120.099 118.700 0.216 0.000 3.103 414 N HA 0.211 4.967 4.740 0.026 0.000 0.305 414 N C -1.030 174.603 175.510 0.205 0.000 1.232 414 N CA 0.267 53.474 53.050 0.261 0.000 1.190 414 N CB -0.841 37.792 38.487 0.243 0.000 1.461 414 N HN 0.485 nan 8.380 nan 0.000 0.538 415 I N 0.918 121.601 120.570 0.190 0.000 2.503 415 I HA 0.269 4.454 4.170 0.026 0.000 0.282 415 I C -0.545 175.658 176.117 0.144 0.000 1.059 415 I CA -0.505 60.888 61.300 0.155 0.000 1.081 415 I CB 1.598 39.669 38.000 0.119 0.000 1.210 415 I HN 0.179 nan 8.210 nan 0.000 0.450 416 E N 4.234 124.516 120.200 0.138 0.000 2.313 416 E HA 0.272 4.638 4.350 0.026 0.000 0.280 416 E C -0.596 176.057 176.600 0.088 0.000 0.898 416 E CA -0.275 56.179 56.400 0.091 0.000 0.803 416 E CB 1.821 31.549 29.700 0.047 0.000 1.286 416 E HN 0.600 nan 8.360 nan 0.000 0.401 417 T N 0.648 115.247 114.554 0.075 0.000 3.355 417 T HA 0.147 4.513 4.350 0.026 0.000 0.276 417 T C 0.949 175.682 174.700 0.055 0.000 1.003 417 T CA -0.289 61.883 62.100 0.119 0.000 0.943 417 T CB -0.269 68.664 68.868 0.108 0.000 1.158 417 T HN 0.651 nan 8.240 nan 0.000 0.513 418 H N 1.138 120.103 119.070 -0.174 0.000 2.362 418 H HA -0.124 4.448 4.556 0.027 0.000 0.294 418 H C 2.297 177.497 175.328 -0.214 0.000 1.113 418 H CA 1.525 57.447 56.048 -0.211 0.000 1.253 418 H CB -0.274 29.325 29.762 -0.272 0.000 1.363 418 H HN 0.593 nan 8.280 nan 0.000 0.494 419 G N 0.340 109.016 108.800 -0.206 0.000 2.625 419 G HA2 -0.092 3.883 3.960 0.026 0.000 0.214 419 G HA3 -0.092 3.883 3.960 0.026 0.000 0.214 419 G C 0.546 175.600 174.900 0.256 0.000 1.132 419 G CA 0.051 45.094 45.100 -0.095 0.000 0.782 419 G HN 0.201 nan 8.290 nan 0.000 0.538 420 M N 0.515 120.263 119.600 0.247 0.000 2.241 420 M HA 0.297 4.793 4.480 0.026 0.000 0.335 420 M C -0.569 175.756 176.300 0.043 0.000 1.122 420 M CA -0.084 55.295 55.300 0.132 0.000 1.164 420 M CB 1.552 34.186 32.600 0.057 0.000 1.459 420 M HN -0.215 nan 8.290 nan 0.000 0.461 421 V N 3.796 123.714 119.914 0.007 0.000 2.349 421 V HA 0.347 4.482 4.120 0.026 0.000 0.284 421 V C -2.003 174.074 176.094 -0.029 0.000 1.014 421 V CA -1.288 61.004 62.300 -0.015 0.000 0.826 421 V CB 1.317 33.129 31.823 -0.018 0.000 1.009 421 V HN 0.710 nan 8.190 nan 0.000 0.431 422 P HA 0.313 nan 4.420 nan 0.000 0.289 422 P C 1.100 178.389 177.300 -0.017 0.000 1.299 422 P CA -0.666 62.420 63.100 -0.023 0.000 0.766 422 P CB 1.021 32.708 31.700 -0.022 0.000 1.226 423 M N -0.309 119.285 119.600 -0.011 0.000 2.267 423 M HA -0.202 4.294 4.480 0.026 0.000 0.263 423 M C 1.925 178.228 176.300 0.006 0.000 1.063 423 M CA 1.712 57.012 55.300 0.001 0.000 1.090 423 M CB -0.573 32.014 32.600 -0.022 0.000 1.392 423 M HN 0.357 nan 8.290 nan 0.000 0.422 424 N N -0.084 118.616 118.700 -0.001 0.000 2.036 424 N HA -0.283 4.472 4.740 0.026 0.000 0.195 424 N C 1.587 177.057 175.510 -0.066 0.000 1.037 424 N CA 1.695 54.738 53.050 -0.011 0.000 0.855 424 N CB -0.047 38.425 38.487 -0.025 0.000 1.033 424 N HN 0.240 nan 8.380 nan 0.000 0.423 425 R N 0.463 120.913 120.500 -0.083 0.000 2.346 425 R HA -0.252 4.103 4.340 0.026 0.000 0.244 425 R C 2.090 178.260 176.300 -0.217 0.000 1.074 425 R CA 2.050 58.072 56.100 -0.131 0.000 0.910 425 R CB -0.603 29.618 30.300 -0.133 0.000 0.970 425 R HN 0.300 nan 8.270 nan 0.000 0.432 426 L N -1.564 119.472 121.223 -0.312 0.000 2.102 426 L HA -0.057 4.298 4.340 0.026 0.000 0.202 426 L C 2.568 179.236 176.870 -0.336 0.000 1.076 426 L CA 1.726 56.231 54.840 -0.559 0.000 0.761 426 L CB -0.797 40.789 42.059 -0.788 0.000 0.921 426 L HN 0.538 nan 8.230 nan 0.000 0.444 427 T N -3.647 110.769 114.554 -0.229 0.000 3.098 427 T HA -0.179 4.186 4.350 0.026 0.000 0.266 427 T C 1.212 175.815 174.700 -0.161 0.000 1.145 427 T CA 1.312 63.281 62.100 -0.219 0.000 1.092 427 T CB -0.220 68.501 68.868 -0.244 0.000 0.908 427 T HN 0.110 nan 8.240 nan 0.000 0.526 428 D N 0.884 121.216 120.400 -0.113 0.000 2.349 428 D HA 0.112 4.768 4.640 0.026 0.000 0.214 428 D C -0.152 176.123 176.300 -0.043 0.000 1.063 428 D CA -0.122 53.828 54.000 -0.082 0.000 0.847 428 D CB -0.016 40.739 40.800 -0.075 0.000 0.933 428 D HN 0.425 nan 8.370 nan 0.000 0.513 429 D N -0.119 120.273 120.400 -0.013 0.000 2.329 429 D HA 0.132 4.788 4.640 0.026 0.000 0.232 429 D C -1.721 174.661 176.300 0.137 0.000 1.088 429 D CA -2.295 51.748 54.000 0.072 0.000 0.835 429 D CB 1.964 42.836 40.800 0.119 0.000 1.078 429 D HN -0.095 nan 8.370 nan 0.000 0.495 430 P HA -0.197 nan 4.420 nan 0.000 0.218 430 P C 0.915 178.226 177.300 0.019 0.000 1.147 430 P CA 1.062 64.180 63.100 0.029 0.000 0.827 430 P CB 0.118 31.820 31.700 0.004 0.000 0.778 431 R N -2.160 118.371 120.500 0.051 0.000 2.280 431 R HA -0.059 4.297 4.340 0.026 0.000 0.207 431 R C 1.386 177.437 176.300 -0.415 0.000 1.043 431 R CA 0.994 57.020 56.100 -0.123 0.000 1.006 431 R CB -0.546 29.677 30.300 -0.128 0.000 0.885 431 R HN 0.377 nan 8.270 nan 0.000 0.467 432 W N -0.426 120.819 121.300 -0.092 0.000 3.058 432 W HA 0.159 4.833 4.660 0.025 0.000 0.306 432 W C 1.538 177.998 176.519 -0.097 0.000 1.188 432 W CA -0.716 56.575 57.345 -0.091 0.000 1.651 432 W CB -0.252 29.153 29.460 -0.093 0.000 1.051 432 W HN -0.075 nan 8.180 nan 0.000 0.592 433 L N 2.539 123.800 121.223 0.065 0.000 1.991 433 L HA -0.202 4.153 4.340 0.026 0.000 0.221 433 L C -0.488 176.349 176.870 -0.056 0.000 1.079 433 L CA 2.595 57.428 54.840 -0.012 0.000 0.778 433 L CB -1.877 40.160 42.059 -0.037 0.000 0.893 433 L HN -0.189 nan 8.230 nan 0.000 0.437 434 P HA -0.171 nan 4.420 nan 0.000 0.214 434 P C 1.618 178.861 177.300 -0.096 0.000 1.163 434 P CA 2.310 65.343 63.100 -0.111 0.000 0.883 434 P CB -0.329 31.296 31.700 -0.126 0.000 0.788 435 A N -0.222 122.545 122.820 -0.088 0.000 1.903 435 A HA -0.266 4.069 4.320 0.026 0.000 0.219 435 A C 2.271 179.862 177.584 0.011 0.000 1.191 435 A CA 2.803 54.825 52.037 -0.026 0.000 0.638 435 A CB -1.643 17.393 19.000 0.059 0.000 0.823 435 A HN 0.123 nan 8.150 nan 0.000 0.451 436 M N -0.584 119.036 119.600 0.033 0.000 2.086 436 M HA -0.142 4.354 4.480 0.026 0.000 0.261 436 M C 2.544 178.796 176.300 -0.080 0.000 1.067 436 M CA 1.761 57.062 55.300 0.001 0.000 1.116 436 M CB -0.799 31.788 32.600 -0.021 0.000 1.348 436 M HN 0.613 nan 8.290 nan 0.000 0.407 437 S N 0.910 116.533 115.700 -0.127 0.000 2.378 437 S HA -0.236 4.249 4.470 0.026 0.000 0.229 437 S C 1.756 176.198 174.600 -0.265 0.000 1.052 437 S CA 1.951 60.012 58.200 -0.233 0.000 1.084 437 S CB -0.419 62.645 63.200 -0.226 0.000 0.950 437 S HN 0.509 nan 8.310 nan 0.000 0.440 438 E N 0.306 120.396 120.200 -0.182 0.000 2.153 438 E HA -0.116 4.250 4.350 0.026 0.000 0.194 438 E C 2.431 178.954 176.600 -0.128 0.000 0.988 438 E CA 0.878 57.180 56.400 -0.162 0.000 0.811 438 E CB -0.181 29.459 29.700 -0.101 0.000 0.746 438 E HN 0.583 nan 8.360 nan 0.000 0.466 439 R N 0.109 120.560 120.500 -0.082 0.000 2.148 439 R HA -0.041 4.315 4.340 0.026 0.000 0.223 439 R C 2.250 178.522 176.300 -0.047 0.000 1.088 439 R CA 0.535 56.617 56.100 -0.030 0.000 0.985 439 R CB 0.180 30.497 30.300 0.027 0.000 0.880 439 R HN -0.004 nan 8.270 nan 0.000 0.451 440 V N -0.080 119.768 119.914 -0.111 0.000 2.492 440 V HA -0.160 3.976 4.120 0.026 0.000 0.241 440 V C 2.499 178.469 176.094 -0.207 0.000 1.041 440 V CA 1.915 64.142 62.300 -0.121 0.000 1.057 440 V CB -0.047 31.699 31.823 -0.127 0.000 0.711 440 V HN 0.501 nan 8.190 nan 0.000 0.468 441 T N 0.348 114.679 114.554 -0.372 0.000 2.635 441 T HA -0.304 4.061 4.350 0.026 0.000 0.267 441 T C 1.922 176.501 174.700 -0.202 0.000 1.040 441 T CA 1.871 63.689 62.100 -0.469 0.000 1.156 441 T CB -0.482 67.911 68.868 -0.792 0.000 0.863 441 T HN 0.477 nan 8.240 nan 0.000 0.430 442 R N 0.338 120.737 120.500 -0.167 0.000 2.148 442 R HA 0.197 4.552 4.340 0.026 0.000 0.227 442 R C 2.693 178.927 176.300 -0.109 0.000 1.103 442 R CA 1.338 57.363 56.100 -0.125 0.000 0.983 442 R CB -0.536 29.694 30.300 -0.117 0.000 0.874 442 R HN 0.493 nan 8.270 nan 0.000 0.451 443 M N 0.862 120.408 119.600 -0.090 0.000 2.067 443 M HA -0.174 4.321 4.480 0.026 0.000 0.260 443 M C 1.950 178.197 176.300 -0.088 0.000 1.069 443 M CA 1.732 57.006 55.300 -0.043 0.000 1.117 443 M CB 0.007 32.616 32.600 0.015 0.000 1.334 443 M HN -0.014 nan 8.290 nan 0.000 0.407 444 V N 0.919 120.680 119.914 -0.255 0.000 2.255 444 V HA -0.339 3.796 4.120 0.026 0.000 0.247 444 V C 2.321 178.314 176.094 -0.169 0.000 1.051 444 V CA 2.275 64.314 62.300 -0.435 0.000 1.018 444 V CB -1.146 30.349 31.823 -0.546 0.000 0.641 444 V HN 0.592 nan 8.190 nan 0.000 0.445 445 Q N -0.591 119.139 119.800 -0.117 0.000 2.133 445 Q HA -0.302 4.054 4.340 0.026 0.000 0.208 445 Q C 2.510 178.422 176.000 -0.146 0.000 0.991 445 Q CA 2.299 58.042 55.803 -0.098 0.000 0.867 445 Q CB -0.269 28.429 28.738 -0.068 0.000 0.911 445 Q HN 0.601 nan 8.270 nan 0.000 0.417 446 R N 0.108 120.512 120.500 -0.161 0.000 2.127 446 R HA -0.081 4.274 4.340 0.026 0.000 0.217 446 R C 0.340 176.542 176.300 -0.163 0.000 1.074 446 R CA 1.362 57.335 56.100 -0.211 0.000 0.991 446 R CB 0.440 30.610 30.300 -0.216 0.000 0.895 446 R HN 0.151 nan 8.270 nan 0.000 0.450 447 D N 0.302 120.672 120.400 -0.050 0.000 2.431 447 D HA 0.012 4.668 4.640 0.026 0.000 0.213 447 D C 1.213 177.593 176.300 0.132 0.000 1.130 447 D CA 0.007 54.020 54.000 0.022 0.000 0.834 447 D CB 0.380 41.157 40.800 -0.038 0.000 0.985 447 D HN 0.359 nan 8.370 nan 0.000 0.504 448 R N 1.025 121.595 120.500 0.116 0.000 2.211 448 R HA -0.040 4.315 4.340 0.026 0.000 0.240 448 R C 0.772 177.044 176.300 -0.046 0.000 1.144 448 R CA 1.128 57.297 56.100 0.114 0.000 0.992 448 R CB -0.512 29.774 30.300 -0.022 0.000 0.869 448 R HN -0.019 nan 8.270 nan 0.000 0.462 449 N N 0.373 118.967 118.700 -0.176 0.000 2.251 449 N HA 0.002 4.758 4.740 0.026 0.000 0.217 449 N C -0.646 174.692 175.510 -0.287 0.000 1.124 449 N CA -0.022 52.891 53.050 -0.229 0.000 0.843 449 N CB 0.279 38.612 38.487 -0.256 0.000 1.024 449 N HN 0.257 nan 8.380 nan 0.000 0.501 450 H N 1.731 120.722 119.070 -0.132 0.000 2.705 450 H HA 0.163 4.734 4.556 0.025 0.000 0.291 450 H C -1.233 173.928 175.328 -0.277 0.000 1.085 450 H CA -1.676 54.277 56.048 -0.157 0.000 1.357 450 H CB 1.707 31.414 29.762 -0.092 0.000 1.419 450 H HN 0.002 nan 8.280 nan 0.000 0.462 451 P HA -0.199 nan 4.420 nan 0.000 0.217 451 P C 1.456 178.274 177.300 -0.805 0.000 1.148 451 P CA 1.428 64.154 63.100 -0.623 0.000 0.834 451 P CB 0.243 31.354 31.700 -0.982 0.000 0.783 452 S N -1.363 113.942 115.700 -0.658 0.000 2.423 452 S HA -0.037 4.449 4.470 0.026 0.000 0.231 452 S C 1.035 175.601 174.600 -0.057 0.000 1.014 452 S CA 0.323 58.327 58.200 -0.327 0.000 0.965 452 S CB -1.383 61.773 63.200 -0.073 0.000 0.785 452 S HN -0.052 nan 8.310 nan 0.000 0.495 453 V N 3.710 123.562 119.914 -0.104 0.000 2.439 453 V HA 0.252 4.387 4.120 0.026 0.000 0.271 453 V C 1.121 177.075 176.094 -0.233 0.000 1.040 453 V CA -0.075 62.132 62.300 -0.155 0.000 1.002 453 V CB 0.481 32.123 31.823 -0.301 0.000 1.000 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.450 122.923 120.570 -0.162 0.000 4.187 454 I HA 0.506 4.692 4.170 0.026 0.000 0.326 454 I C 0.376 176.361 176.117 -0.220 0.000 1.302 454 I CA 0.499 61.705 61.300 -0.156 0.000 1.196 454 I CB 0.519 38.493 38.000 -0.043 0.000 1.095 454 I HN 0.335 nan 8.210 nan 0.000 0.411 455 I N -0.024 120.386 120.570 -0.267 0.000 2.769 455 I HA 0.389 4.575 4.170 0.026 0.000 0.298 455 I C -1.613 174.344 176.117 -0.267 0.000 1.128 455 I CA -0.420 60.757 61.300 -0.204 0.000 1.031 455 I CB 2.287 40.266 38.000 -0.034 0.000 1.235 455 I HN -0.006 nan 8.210 nan 0.000 0.423 456 W N 3.626 124.962 121.300 0.061 0.000 2.520 456 W HA 0.649 5.322 4.660 0.022 0.000 0.323 456 W C 0.247 176.820 176.519 0.090 0.000 1.062 456 W CA -0.667 56.721 57.345 0.071 0.000 1.215 456 W CB 1.745 31.241 29.460 0.060 0.000 1.340 456 W HN 0.281 nan 8.180 nan 0.000 0.516 457 S N 2.956 118.871 115.700 0.358 0.000 2.501 457 S HA 0.447 4.933 4.470 0.026 0.000 0.301 457 S C 0.267 175.022 174.600 0.258 0.000 1.096 457 S CA -0.683 57.675 58.200 0.264 0.000 1.063 457 S CB 0.910 64.219 63.200 0.183 0.000 1.042 457 S HN 0.619 nan 8.310 nan 0.000 0.494 458 L N 3.714 125.075 121.223 0.230 0.000 2.591 458 L HA 0.359 4.715 4.340 0.026 0.000 0.228 458 L C 1.305 178.217 176.870 0.069 0.000 1.133 458 L CA 0.507 55.407 54.840 0.100 0.000 0.880 458 L CB -0.776 41.228 42.059 -0.091 0.000 1.033 458 L HN 1.015 nan 8.230 nan 0.000 0.450 459 G N 0.256 109.167 108.800 0.186 0.000 2.293 459 G HA2 -0.132 3.844 3.960 0.026 0.000 0.282 459 G HA3 -0.132 3.844 3.960 0.026 0.000 0.282 459 G C -1.649 173.403 174.900 0.253 0.000 1.299 459 G CA -0.517 44.700 45.100 0.195 0.000 1.018 459 G HN 0.184 nan 8.290 nan 0.000 0.478 460 N N 0.413 119.200 118.700 0.145 0.000 2.331 460 N HA 0.457 5.212 4.740 0.026 0.000 0.280 460 N C 0.156 175.617 175.510 -0.081 0.000 1.155 460 N CA 0.338 53.352 53.050 -0.059 0.000 0.822 460 N CB 1.439 39.604 38.487 -0.537 0.000 1.619 460 N HN 1.328 nan 8.380 nan 0.000 0.476 461 E N 0.859 120.935 120.200 -0.206 0.000 1.867 461 E HA -0.239 4.127 4.350 0.026 0.000 0.164 461 E C -1.172 175.328 176.600 -0.167 0.000 1.355 461 E CA 0.941 57.150 56.400 -0.317 0.000 0.575 461 E CB -1.854 27.457 29.700 -0.648 0.000 1.037 461 E HN 0.407 nan 8.360 nan 0.000 0.286 462 S N 0.700 116.442 115.700 0.071 0.000 2.902 462 S HA 0.461 4.947 4.470 0.026 0.000 0.250 462 S C 0.812 175.567 174.600 0.258 0.000 1.046 462 S CA -0.110 58.189 58.200 0.164 0.000 1.069 462 S CB 1.240 64.589 63.200 0.248 0.000 0.967 462 S HN 1.024 nan 8.310 nan 0.000 0.530 463 G N 2.153 111.037 108.800 0.141 0.000 2.582 463 G HA2 -0.279 3.696 3.960 0.026 0.000 0.288 463 G HA3 -0.279 3.696 3.960 0.026 0.000 0.288 463 G C -0.371 174.743 174.900 0.357 0.000 1.247 463 G CA 0.292 45.483 45.100 0.152 0.000 0.972 463 G HN 0.710 nan 8.290 nan 0.000 0.557 464 H N 0.285 119.489 119.070 0.222 0.000 3.108 464 H HA 0.553 5.125 4.556 0.026 0.000 0.329 464 H C 0.112 175.621 175.328 0.301 0.000 0.978 464 H CA -0.063 56.164 56.048 0.299 0.000 1.413 464 H CB 0.689 30.544 29.762 0.155 0.000 1.670 464 H HN 1.173 nan 8.280 nan 0.000 0.512 465 G N 1.436 110.404 108.800 0.280 0.000 2.658 465 G HA2 0.466 4.441 3.960 0.026 0.000 0.292 465 G HA3 0.466 4.441 3.960 0.026 0.000 0.292 465 G C 0.634 175.484 174.900 -0.083 0.000 1.320 465 G CA -0.197 44.831 45.100 -0.119 0.000 0.933 465 G HN 0.666 nan 8.290 nan 0.000 0.476 466 A N 0.610 123.365 122.820 -0.108 0.000 1.958 466 A HA -0.188 4.148 4.320 0.026 0.000 0.221 466 A C 2.201 179.784 177.584 -0.002 0.000 1.178 466 A CA 2.371 54.394 52.037 -0.025 0.000 0.642 466 A CB -0.612 18.375 19.000 -0.022 0.000 0.816 466 A HN 0.590 nan 8.150 nan 0.000 0.453 467 N N -0.299 118.354 118.700 -0.078 0.000 2.137 467 N HA -0.181 4.574 4.740 0.026 0.000 0.190 467 N C 1.373 176.823 175.510 -0.099 0.000 1.017 467 N CA 1.935 54.916 53.050 -0.116 0.000 0.859 467 N CB -0.798 37.594 38.487 -0.157 0.000 1.002 467 N HN 0.818 nan 8.380 nan 0.000 0.428 468 H N 0.288 119.364 119.070 0.010 0.000 2.357 468 H HA -0.018 4.553 4.556 0.025 0.000 0.301 468 H C 1.223 176.610 175.328 0.099 0.000 1.082 468 H CA 1.274 57.322 56.048 -0.000 0.000 1.342 468 H CB 0.067 29.826 29.762 -0.005 0.000 1.389 468 H HN 0.189 nan 8.280 nan 0.000 0.511 469 D N 0.381 120.946 120.400 0.275 0.000 2.182 469 D HA -0.134 4.522 4.640 0.026 0.000 0.201 469 D C 2.193 178.641 176.300 0.247 0.000 0.986 469 D CA 1.154 55.295 54.000 0.235 0.000 0.847 469 D CB -0.268 40.653 40.800 0.202 0.000 0.942 469 D HN 0.462 nan 8.370 nan 0.000 0.467 470 A N 0.537 123.460 122.820 0.173 0.000 1.897 470 A HA -0.041 4.294 4.320 0.026 0.000 0.215 470 A C 2.378 180.074 177.584 0.186 0.000 1.181 470 A CA 0.592 52.719 52.037 0.150 0.000 0.620 470 A CB -0.654 18.392 19.000 0.076 0.000 0.821 470 A HN 0.167 nan 8.150 nan 0.000 0.443 471 L N -1.867 119.449 121.223 0.154 0.000 2.093 471 L HA -0.172 4.183 4.340 0.026 0.000 0.208 471 L C 2.544 179.565 176.870 0.250 0.000 1.085 471 L CA 1.667 56.600 54.840 0.154 0.000 0.755 471 L CB -0.711 41.373 42.059 0.042 0.000 0.904 471 L HN 0.607 nan 8.230 nan 0.000 0.435 472 Y N 0.572 120.950 120.300 0.132 0.000 2.089 472 Y HA -0.266 4.295 4.550 0.018 0.000 0.282 472 Y C 2.916 178.888 175.900 0.120 0.000 1.139 472 Y CA 1.460 59.634 58.100 0.123 0.000 1.123 472 Y CB -0.162 38.367 38.460 0.115 0.000 0.980 472 Y HN -0.084 nan 8.280 nan 0.000 0.493 473 R N -0.070 120.554 120.500 0.206 0.000 2.113 473 R HA -0.273 4.083 4.340 0.026 0.000 0.244 473 R C 2.096 178.412 176.300 0.027 0.000 1.142 473 R CA 2.116 58.263 56.100 0.078 0.000 0.953 473 R CB -1.666 28.735 30.300 0.169 0.000 0.860 473 R HN 0.665 nan 8.270 nan 0.000 0.438 474 W N 1.292 122.556 121.300 -0.060 0.000 2.317 474 W HA -0.199 4.477 4.660 0.026 0.000 0.318 474 W C 2.066 178.490 176.519 -0.157 0.000 1.227 474 W CA 1.855 59.145 57.345 -0.093 0.000 1.269 474 W CB -0.534 28.876 29.460 -0.083 0.000 1.155 474 W HN 0.028 nan 8.180 nan 0.000 0.484 475 I N 0.830 121.388 120.570 -0.020 0.000 2.099 475 I HA -0.410 3.776 4.170 0.026 0.000 0.239 475 I C 2.456 178.337 176.117 -0.393 0.000 1.066 475 I CA 1.798 62.932 61.300 -0.277 0.000 1.324 475 I CB -0.893 37.002 38.000 -0.175 0.000 1.037 475 I HN -0.046 nan 8.210 nan 0.000 0.401 476 K N 0.537 120.729 120.400 -0.346 0.000 2.152 476 K HA -0.132 4.203 4.320 0.026 0.000 0.206 476 K C 2.229 178.670 176.600 -0.266 0.000 1.048 476 K CA 1.346 57.456 56.287 -0.294 0.000 0.933 476 K CB -0.481 31.816 32.500 -0.338 0.000 0.721 476 K HN 0.255 nan 8.250 nan 0.000 0.447 477 S N 0.805 116.311 115.700 -0.323 0.000 2.357 477 S HA -0.060 4.425 4.470 0.026 0.000 0.221 477 S C 2.196 176.557 174.600 -0.399 0.000 1.031 477 S CA 0.760 58.775 58.200 -0.309 0.000 0.982 477 S CB -0.097 62.908 63.200 -0.325 0.000 0.853 477 S HN 0.033 nan 8.310 nan 0.000 0.458 478 V N 1.171 120.688 119.914 -0.661 0.000 2.307 478 V HA -0.057 4.079 4.120 0.026 0.000 0.245 478 V C 0.557 176.392 176.094 -0.432 0.000 1.045 478 V CA 1.383 63.269 62.300 -0.690 0.000 1.024 478 V CB -0.156 30.917 31.823 -1.251 0.000 0.651 478 V HN 0.369 nan 8.190 nan 0.000 0.449 479 D N -1.196 118.980 120.400 -0.373 0.000 2.462 479 D HA 0.303 4.959 4.640 0.026 0.000 0.245 479 D C -2.348 173.902 176.300 -0.084 0.000 1.122 479 D CA -2.069 51.826 54.000 -0.176 0.000 0.864 479 D CB 2.064 42.827 40.800 -0.062 0.000 1.098 479 D HN 0.118 nan 8.370 nan 0.000 0.541 480 P HA 0.077 nan 4.420 nan 0.000 0.267 480 P C 0.946 178.251 177.300 0.009 0.000 1.289 480 P CA 0.150 63.228 63.100 -0.037 0.000 0.866 480 P CB 0.333 32.005 31.700 -0.047 0.000 1.309 481 S N -0.703 115.014 115.700 0.028 0.000 2.522 481 S HA 0.099 4.585 4.470 0.026 0.000 0.227 481 S C 0.791 175.412 174.600 0.035 0.000 0.986 481 S CA -0.008 58.213 58.200 0.035 0.000 0.929 481 S CB -0.333 62.880 63.200 0.021 0.000 0.769 481 S HN 0.022 nan 8.310 nan 0.000 0.529 482 R N 0.760 121.295 120.500 0.059 0.000 2.584 482 R HA 0.546 4.901 4.340 0.026 0.000 0.276 482 R C -3.259 173.098 176.300 0.096 0.000 1.046 482 R CA -1.883 54.231 56.100 0.023 0.000 0.906 482 R CB 1.861 32.100 30.300 -0.101 0.000 1.215 482 R HN 0.155 nan 8.270 nan 0.000 0.449 483 P HA 0.288 nan 4.420 nan 0.000 0.278 483 P C -0.883 176.516 177.300 0.165 0.000 1.266 483 P CA -0.614 62.545 63.100 0.098 0.000 0.807 483 P CB 0.862 32.605 31.700 0.070 0.000 1.094 484 V N 1.285 121.318 119.914 0.198 0.000 2.628 484 V HA 0.453 4.589 4.120 0.026 0.000 0.306 484 V C -0.012 176.243 176.094 0.268 0.000 1.045 484 V CA -0.380 62.085 62.300 0.275 0.000 0.905 484 V CB 1.399 33.383 31.823 0.267 0.000 0.997 484 V HN 0.619 nan 8.190 nan 0.000 0.436 485 Q N 3.561 123.507 119.800 0.243 0.000 2.397 485 Q HA 0.777 5.133 4.340 0.026 0.000 0.275 485 Q C -1.925 174.220 176.000 0.242 0.000 1.090 485 Q CA -0.927 54.987 55.803 0.185 0.000 0.809 485 Q CB 2.954 31.746 28.738 0.089 0.000 1.362 485 Q HN 0.623 nan 8.270 nan 0.000 0.431 486 Y N 0.482 120.781 120.300 -0.001 0.000 2.436 486 Y HA 0.187 4.751 4.550 0.023 0.000 0.327 486 Y C -0.482 175.344 175.900 -0.123 0.000 1.138 486 Y CA -0.905 57.153 58.100 -0.070 0.000 1.042 486 Y CB 2.274 40.664 38.460 -0.116 0.000 1.302 486 Y HN 0.964 nan 8.280 nan 0.000 0.439 487 E N 3.174 122.890 120.200 -0.806 0.000 2.364 487 E HA 0.155 4.520 4.350 0.026 0.000 0.196 487 E C 0.610 176.697 176.600 -0.855 0.000 0.990 487 E CA 0.548 56.556 56.400 -0.652 0.000 0.886 487 E CB 0.320 29.774 29.700 -0.410 0.000 0.866 487 E HN 0.902 nan 8.360 nan 0.000 0.493 488 G N 0.452 108.225 108.800 -1.712 0.000 2.349 488 G HA2 0.126 4.102 3.960 0.026 0.000 0.232 488 G HA3 0.126 4.102 3.960 0.026 0.000 0.232 488 G C 0.818 175.511 174.900 -0.345 0.000 1.240 488 G CA 0.371 44.924 45.100 -0.911 0.000 0.870 488 G HN 0.364 nan 8.290 nan 0.000 0.528 489 G N 0.072 108.805 108.800 -0.112 0.000 2.305 489 G HA2 0.219 4.195 3.960 0.026 0.000 0.287 489 G HA3 0.219 4.195 3.960 0.026 0.000 0.287 489 G C 1.236 176.145 174.900 0.016 0.000 1.036 489 G CA 1.155 46.271 45.100 0.027 0.000 0.887 489 G HN 2.529 nan 8.290 nan 0.000 0.505 490 G N -1.963 106.827 108.800 -0.016 0.000 2.901 490 G HA2 0.441 4.416 3.960 0.026 0.000 0.194 490 G HA3 0.441 4.416 3.960 0.026 0.000 0.194 490 G C 0.962 175.947 174.900 0.141 0.000 1.020 490 G CA 1.454 46.601 45.100 0.077 0.000 0.787 490 G HN 2.321 nan 8.290 nan 0.000 0.477 491 A N 0.004 122.796 122.820 -0.045 0.000 3.384 491 A HA -0.074 4.262 4.320 0.026 0.000 0.260 491 A C 1.100 178.595 177.584 -0.149 0.000 1.168 491 A CA 2.544 54.493 52.037 -0.145 0.000 1.253 491 A CB -1.902 16.993 19.000 -0.174 0.000 1.122 491 A HN 2.031 nan 8.150 nan 0.000 0.934 492 D N -0.839 119.543 120.400 -0.030 0.000 2.562 492 D HA 0.253 4.908 4.640 0.026 0.000 0.246 492 D C 0.648 176.922 176.300 -0.044 0.000 1.347 492 D CA 1.094 55.086 54.000 -0.013 0.000 0.800 492 D CB -1.272 39.631 40.800 0.172 0.000 1.111 492 D HN 0.908 nan 8.370 nan 0.000 0.508 493 T N -1.457 113.012 114.554 -0.141 0.000 2.560 493 T HA 0.016 4.381 4.350 0.026 0.000 0.354 493 T C 1.473 176.041 174.700 -0.221 0.000 1.051 493 T CA 0.903 62.858 62.100 -0.242 0.000 1.032 493 T CB 0.080 68.559 68.868 -0.649 0.000 1.057 493 T HN 0.139 nan 8.240 nan 0.000 0.529 494 T N -2.733 111.679 114.554 -0.236 0.000 3.194 494 T HA 0.432 4.797 4.350 0.026 0.000 0.251 494 T C 1.359 175.750 174.700 -0.516 0.000 1.132 494 T CA 0.013 61.975 62.100 -0.231 0.000 1.028 494 T CB -0.292 68.519 68.868 -0.094 0.000 0.976 494 T HN 0.840 nan 8.240 nan 0.000 0.535 495 A N 0.456 122.953 122.820 -0.540 0.000 2.470 495 A HA 0.503 4.838 4.320 0.026 0.000 0.251 495 A C 0.872 178.191 177.584 -0.441 0.000 1.245 495 A CA -0.279 51.323 52.037 -0.725 0.000 0.932 495 A CB 0.351 19.226 19.000 -0.208 0.000 1.037 495 A HN 0.416 nan 8.150 nan 0.000 0.522 496 T N -1.456 112.922 114.554 -0.293 0.000 2.893 496 T HA 0.429 4.795 4.350 0.026 0.000 0.291 496 T C -0.392 174.321 174.700 0.022 0.000 1.028 496 T CA -0.388 61.692 62.100 -0.034 0.000 0.995 496 T CB 1.375 70.212 68.868 -0.053 0.000 1.051 496 T HN 0.050 nan 8.240 nan 0.000 0.470 497 D N 2.450 122.938 120.400 0.147 0.000 2.327 497 D HA 0.316 4.971 4.640 0.026 0.000 0.205 497 D C 0.235 176.567 176.300 0.053 0.000 0.989 497 D CA 0.621 54.705 54.000 0.140 0.000 0.873 497 D CB 0.411 41.317 40.800 0.176 0.000 0.955 497 D HN 0.497 nan 8.370 nan 0.000 0.515 498 I N 0.663 121.243 120.570 0.017 0.000 2.646 498 I HA 0.263 4.448 4.170 0.026 0.000 0.299 498 I C -0.276 175.778 176.117 -0.105 0.000 1.036 498 I CA -0.848 60.429 61.300 -0.038 0.000 1.074 498 I CB 2.957 40.943 38.000 -0.025 0.000 1.258 498 I HN -0.324 nan 8.210 nan 0.000 0.430 499 I N 5.415 125.878 120.570 -0.177 0.000 2.363 499 I HA 0.121 4.307 4.170 0.026 0.000 0.292 499 I C -0.123 175.789 176.117 -0.341 0.000 1.075 499 I CA -0.139 60.963 61.300 -0.329 0.000 1.333 499 I CB 0.135 37.846 38.000 -0.480 0.000 1.415 499 I HN 0.634 nan 8.210 nan 0.000 0.502 500 C N 5.581 124.699 119.300 -0.303 0.000 3.273 500 C HA 0.512 4.988 4.460 0.026 0.000 0.227 500 C C -2.201 172.654 174.990 -0.224 0.000 1.409 500 C CA -2.238 56.649 59.018 -0.218 0.000 1.516 500 C CB -0.755 26.912 27.740 -0.122 0.000 1.853 500 C HN 0.397 nan 8.230 nan 0.000 0.472 501 P HA 0.436 nan 4.420 nan 0.000 0.277 501 P C -0.537 176.717 177.300 -0.078 0.000 1.271 501 P CA -0.082 62.920 63.100 -0.162 0.000 0.795 501 P CB 0.839 32.460 31.700 -0.132 0.000 1.101 502 M N -0.121 119.457 119.600 -0.036 0.000 2.253 502 M HA 0.481 4.976 4.480 0.026 0.000 0.314 502 M C -0.937 175.365 176.300 0.004 0.000 1.019 502 M CA -0.622 54.576 55.300 -0.170 0.000 0.932 502 M CB 1.574 34.028 32.600 -0.244 0.000 1.606 502 M HN 0.397 nan 8.290 nan 0.000 0.430 503 Y N -0.476 119.968 120.300 0.239 0.000 4.879 503 Y HA -0.170 4.396 4.550 0.027 0.000 0.247 503 Y C 0.176 176.226 175.900 0.250 0.000 0.985 503 Y CA 0.208 58.442 58.100 0.223 0.000 2.000 503 Y CB -2.476 36.052 38.460 0.114 0.000 1.519 503 Y HN 1.001 nan 8.280 nan 0.000 0.613 504 A N 1.157 124.195 122.820 0.363 0.000 2.388 504 A HA 0.695 5.031 4.320 0.026 0.000 0.257 504 A C 0.674 178.465 177.584 0.344 0.000 1.095 504 A CA -0.450 51.796 52.037 0.348 0.000 0.791 504 A CB 0.434 19.693 19.000 0.432 0.000 1.029 504 A HN 0.391 nan 8.150 nan 0.000 0.489 505 R N 1.026 121.655 120.500 0.216 0.000 2.541 505 R HA 0.410 4.765 4.340 0.026 0.000 0.263 505 R C 1.187 177.448 176.300 -0.064 0.000 1.112 505 R CA -0.533 55.620 56.100 0.088 0.000 1.170 505 R CB 0.479 30.802 30.300 0.038 0.000 1.167 505 R HN 0.442 nan 8.270 nan 0.000 0.582 506 V N 0.398 120.125 119.914 -0.311 0.000 2.323 506 V HA -0.177 3.959 4.120 0.026 0.000 0.244 506 V C 0.876 176.856 176.094 -0.190 0.000 1.041 506 V CA 1.927 64.013 62.300 -0.357 0.000 1.025 506 V CB -0.271 31.221 31.823 -0.552 0.000 0.656 506 V HN 0.709 nan 8.190 nan 0.000 0.451 507 D N -0.926 119.390 120.400 -0.141 0.000 2.514 507 D HA 0.082 4.738 4.640 0.026 0.000 0.249 507 D C 0.687 176.966 176.300 -0.035 0.000 1.036 507 D CA 0.163 54.113 54.000 -0.083 0.000 0.911 507 D CB 0.438 41.191 40.800 -0.080 0.000 1.145 507 D HN 0.603 nan 8.370 nan 0.000 0.495 508 E N 1.698 121.884 120.200 -0.023 0.000 2.266 508 E HA 0.315 4.680 4.350 0.026 0.000 0.277 508 E C -0.715 175.890 176.600 0.008 0.000 1.018 508 E CA -0.619 55.777 56.400 -0.006 0.000 0.840 508 E CB 1.296 30.992 29.700 -0.008 0.000 1.082 508 E HN -0.175 nan 8.360 nan 0.000 0.395 509 D N 2.212 122.616 120.400 0.007 0.000 2.210 509 D HA 0.122 4.777 4.640 0.026 0.000 0.249 509 D C -0.583 175.623 176.300 -0.156 0.000 1.062 509 D CA -0.221 53.776 54.000 -0.004 0.000 0.891 509 D CB 1.252 42.128 40.800 0.126 0.000 1.186 509 D HN 0.358 nan 8.370 nan 0.000 0.432 510 Q N 1.943 121.545 119.800 -0.332 0.000 2.401 510 Q HA 0.298 4.653 4.340 0.026 0.000 0.260 510 Q C -2.209 173.136 176.000 -1.091 0.000 1.034 510 Q CA -1.610 53.820 55.803 -0.622 0.000 0.737 510 Q CB 2.618 31.108 28.738 -0.414 0.000 1.227 510 Q HN 0.119 nan 8.270 nan 0.000 0.488 511 P HA 0.105 nan 4.420 nan 0.000 0.211 511 P C -0.722 176.146 177.300 -0.721 0.000 1.856 511 P CA -0.297 62.316 63.100 -0.812 0.000 0.962 511 P CB -0.358 31.116 31.700 -0.376 0.000 1.785 512 F N 0.850 120.662 119.950 -0.230 0.000 2.586 512 F HA 0.176 4.718 4.527 0.025 0.000 0.335 512 F C -1.412 174.298 175.800 -0.150 0.000 1.210 512 F CA -2.018 55.889 58.000 -0.155 0.000 1.359 512 F CB -1.038 37.886 39.000 -0.127 0.000 1.142 512 F HN -0.011 nan 8.300 nan 0.000 0.606 513 P HA 0.285 nan 4.420 nan 0.000 0.285 513 P C 0.103 177.429 177.300 0.044 0.000 1.259 513 P CA 1.003 64.129 63.100 0.042 0.000 0.794 513 P CB 1.534 33.258 31.700 0.039 0.000 0.940 514 A N 3.119 125.951 122.820 0.019 0.000 1.693 514 A HA -0.238 4.097 4.320 0.026 0.000 0.227 514 A C 0.638 178.233 177.584 0.019 0.000 0.457 514 A CA 1.933 53.984 52.037 0.024 0.000 1.106 514 A CB -2.659 16.357 19.000 0.026 0.000 1.453 514 A HN 0.636 nan 8.150 nan 0.000 0.714 515 V N -2.485 117.446 119.914 0.028 0.000 2.313 515 V HA 0.651 4.786 4.120 0.026 0.000 0.262 515 V C -2.643 173.471 176.094 0.034 0.000 1.011 515 V CA -1.537 60.778 62.300 0.025 0.000 0.858 515 V CB 0.837 32.682 31.823 0.037 0.000 1.104 515 V HN 0.459 nan 8.190 nan 0.000 0.456 516 P HA 0.391 nan 4.420 nan 0.000 0.274 516 P C -0.781 176.046 177.300 -0.787 0.000 1.231 516 P CA -0.180 62.523 63.100 -0.661 0.000 0.790 516 P CB 0.788 31.687 31.700 -1.335 0.000 0.951 517 K N 1.350 121.274 120.400 -0.792 0.000 2.530 517 K HA 0.372 4.707 4.320 0.026 0.000 0.230 517 K C -0.821 175.399 176.600 -0.635 0.000 1.002 517 K CA -0.665 55.294 56.287 -0.548 0.000 1.014 517 K CB 0.124 32.702 32.500 0.130 0.000 1.286 517 K HN 0.314 nan 8.250 nan 0.000 0.480 518 W N 1.536 122.479 121.300 -0.595 0.000 2.034 518 W HA 0.061 4.736 4.660 0.025 0.000 0.357 518 W C 1.120 177.604 176.519 -0.058 0.000 1.326 518 W CA -0.689 56.412 57.345 -0.407 0.000 1.318 518 W CB 0.387 29.460 29.460 -0.645 0.000 1.193 518 W HN 0.507 nan 8.180 nan 0.000 0.620 519 S N 2.094 117.959 115.700 0.275 0.000 2.549 519 S HA -0.003 4.482 4.470 0.026 0.000 0.286 519 S C 1.199 175.957 174.600 0.263 0.000 1.314 519 S CA -0.346 57.961 58.200 0.177 0.000 1.062 519 S CB 0.129 63.370 63.200 0.069 0.000 0.865 519 S HN 0.479 nan 8.310 nan 0.000 0.498 520 I N 3.523 124.214 120.570 0.201 0.000 2.118 520 I HA -0.259 3.926 4.170 0.026 0.000 0.241 520 I C 2.343 178.520 176.117 0.100 0.000 1.070 520 I CA 1.816 63.237 61.300 0.203 0.000 1.327 520 I CB -0.906 37.145 38.000 0.086 0.000 1.034 520 I HN 0.774 nan 8.210 nan 0.000 0.405 521 K N 2.530 122.871 120.400 -0.098 0.000 2.097 521 K HA -0.223 4.113 4.320 0.026 0.000 0.206 521 K C 2.156 178.755 176.600 -0.002 0.000 1.049 521 K CA 2.058 58.216 56.287 -0.215 0.000 0.933 521 K CB -0.526 31.609 32.500 -0.608 0.000 0.717 521 K HN 0.567 nan 8.250 nan 0.000 0.442 522 K N 0.158 120.577 120.400 0.030 0.000 2.243 522 K HA -0.123 4.212 4.320 0.026 0.000 0.201 522 K C 1.883 178.504 176.600 0.035 0.000 1.051 522 K CA 0.252 56.540 56.287 0.001 0.000 0.970 522 K CB -0.184 32.264 32.500 -0.085 0.000 0.755 522 K HN 0.252 nan 8.250 nan 0.000 0.465 523 W N 2.389 123.685 121.300 -0.006 0.000 2.317 523 W HA -0.226 4.446 4.660 0.019 0.000 0.318 523 W C 1.664 178.172 176.519 -0.018 0.000 1.227 523 W CA 1.356 58.720 57.345 0.031 0.000 1.269 523 W CB -0.706 28.855 29.460 0.168 0.000 1.155 523 W HN 0.086 nan 8.180 nan 0.000 0.484 524 L N 0.870 122.284 121.223 0.320 0.000 2.081 524 L HA -0.265 4.090 4.340 0.026 0.000 0.212 524 L C 2.370 179.313 176.870 0.122 0.000 1.080 524 L CA 2.066 57.016 54.840 0.183 0.000 0.754 524 L CB -1.113 41.035 42.059 0.149 0.000 0.893 524 L HN 0.009 nan 8.230 nan 0.000 0.433 525 S N -1.258 114.491 115.700 0.082 0.000 2.605 525 S HA 0.125 4.610 4.470 0.026 0.000 0.217 525 S C 0.558 175.147 174.600 -0.017 0.000 0.958 525 S CA -0.513 57.706 58.200 0.032 0.000 0.919 525 S CB -0.305 62.911 63.200 0.027 0.000 0.780 525 S HN 0.028 nan 8.310 nan 0.000 0.507 526 L N 3.133 124.341 121.223 -0.026 0.000 2.506 526 L HA 0.310 4.666 4.340 0.026 0.000 0.281 526 L C -2.281 174.569 176.870 -0.032 0.000 1.228 526 L CA -1.547 53.239 54.840 -0.088 0.000 0.850 526 L CB -0.420 41.580 42.059 -0.099 0.000 1.110 526 L HN 0.090 nan 8.230 nan 0.000 0.496 527 P HA 0.276 nan 4.420 nan 0.000 0.271 527 P C 0.631 177.931 177.300 0.001 0.000 1.220 527 P CA 0.626 63.711 63.100 -0.024 0.000 0.768 527 P CB 0.939 32.618 31.700 -0.035 0.000 0.848 528 G N 1.978 110.785 108.800 0.011 0.000 2.420 528 G HA2 -0.234 3.742 3.960 0.026 0.000 0.221 528 G HA3 -0.234 3.742 3.960 0.026 0.000 0.221 528 G C 0.321 175.242 174.900 0.035 0.000 1.117 528 G CA -0.229 44.885 45.100 0.023 0.000 0.657 528 G HN 0.591 nan 8.290 nan 0.000 0.512 529 E N 1.752 121.981 120.200 0.049 0.000 2.465 529 E HA 0.466 4.832 4.350 0.026 0.000 0.260 529 E C 1.477 178.106 176.600 0.049 0.000 0.980 529 E CA 1.133 57.573 56.400 0.068 0.000 0.927 529 E CB 0.805 30.572 29.700 0.113 0.000 0.934 529 E HN 0.790 nan 8.360 nan 0.000 0.459 530 T N 0.412 114.990 114.554 0.041 0.000 3.073 530 T HA 0.261 4.626 4.350 0.026 0.000 0.264 530 T C 0.665 175.376 174.700 0.020 0.000 0.893 530 T CA -0.463 61.654 62.100 0.029 0.000 0.863 530 T CB 0.098 68.981 68.868 0.026 0.000 1.247 530 T HN 0.229 nan 8.240 nan 0.000 0.546 531 R N 3.001 123.509 120.500 0.012 0.000 2.679 531 R HA 0.368 4.723 4.340 0.026 0.000 0.268 531 R C -2.439 173.847 176.300 -0.024 0.000 1.044 531 R CA -1.414 54.683 56.100 -0.006 0.000 1.105 531 R CB 0.151 30.438 30.300 -0.021 0.000 0.989 531 R HN 0.281 nan 8.270 nan 0.000 0.447 532 P HA 0.021 nan 4.420 nan 0.000 0.272 532 P C -1.251 175.995 177.300 -0.091 0.000 1.230 532 P CA -0.195 62.877 63.100 -0.047 0.000 0.788 532 P CB 0.550 32.223 31.700 -0.045 0.000 0.949 533 L N 1.825 122.981 121.223 -0.112 0.000 2.376 533 L HA 0.635 4.991 4.340 0.026 0.000 0.275 533 L C -1.166 175.592 176.870 -0.186 0.000 0.987 533 L CA -0.359 54.377 54.840 -0.172 0.000 0.828 533 L CB 0.944 42.855 42.059 -0.247 0.000 1.249 533 L HN 0.196 nan 8.230 nan 0.000 0.409 534 I N 5.103 125.564 120.570 -0.181 0.000 2.466 534 I HA 0.358 4.544 4.170 0.026 0.000 0.289 534 I C -0.786 175.259 176.117 -0.119 0.000 1.026 534 I CA -0.760 60.428 61.300 -0.186 0.000 1.078 534 I CB 1.966 39.911 38.000 -0.092 0.000 1.249 534 I HN 0.553 nan 8.210 nan 0.000 0.429 535 L N 5.608 126.743 121.223 -0.148 0.000 2.369 535 L HA 0.123 4.479 4.340 0.026 0.000 0.279 535 L C 1.511 178.488 176.870 0.179 0.000 1.108 535 L CA -0.446 54.376 54.840 -0.029 0.000 0.852 535 L CB 0.813 42.846 42.059 -0.044 0.000 1.169 535 L HN 0.890 nan 8.230 nan 0.000 0.452 536 C N 0.706 120.075 119.300 0.115 0.000 2.410 536 C HA -0.049 4.427 4.460 0.026 0.000 0.281 536 C C 0.570 175.707 174.990 0.244 0.000 1.318 536 C CA 0.203 59.310 59.018 0.149 0.000 1.776 536 C CB -1.474 26.266 27.740 0.001 0.000 1.942 536 C HN 0.879 nan 8.230 nan 0.000 0.508 537 E N -0.649 119.631 120.200 0.132 0.000 2.388 537 E HA 0.572 4.937 4.350 0.026 0.000 0.289 537 E C -1.146 175.356 176.600 -0.164 0.000 0.944 537 E CA -0.601 55.862 56.400 0.105 0.000 0.792 537 E CB 0.713 30.459 29.700 0.077 0.000 1.239 537 E HN 0.722 nan 8.360 nan 0.000 0.412 538 Y N -0.603 119.626 120.300 -0.119 0.000 2.715 538 Y HA 0.737 5.304 4.550 0.028 0.000 0.331 538 Y C -0.258 175.748 175.900 0.178 0.000 1.197 538 Y CA -1.044 56.991 58.100 -0.108 0.000 1.079 538 Y CB 0.885 39.169 38.460 -0.294 0.000 1.298 538 Y HN 0.782 nan 8.280 nan 0.000 0.477 539 A N 1.875 124.714 122.820 0.031 0.000 1.999 539 A HA -0.297 4.038 4.320 0.026 0.000 0.261 539 A C -0.141 177.587 177.584 0.240 0.000 1.316 539 A CA 1.254 53.348 52.037 0.095 0.000 0.752 539 A CB -2.387 16.593 19.000 -0.033 0.000 1.166 539 A HN 1.009 nan 8.150 nan 0.000 0.311 540 H N 1.094 120.344 119.070 0.300 0.000 3.226 540 H HA 0.240 4.811 4.556 0.026 0.000 0.260 540 H C 1.040 176.458 175.328 0.150 0.000 0.967 540 H CA 0.592 56.832 56.048 0.321 0.000 1.435 540 H CB 0.374 30.169 29.762 0.057 0.000 1.533 540 H HN 0.765 nan 8.280 nan 0.000 0.525 541 A N 7.339 130.080 122.820 -0.131 0.000 3.105 541 A HA 0.078 4.414 4.320 0.026 0.000 0.272 541 A C 0.814 178.222 177.584 -0.294 0.000 1.466 541 A CA -0.503 51.412 52.037 -0.204 0.000 1.101 541 A CB -0.599 18.291 19.000 -0.184 0.000 1.065 541 A HN 0.805 nan 8.150 nan 0.000 0.643 542 M N 1.486 120.819 119.600 -0.445 0.000 2.156 542 M HA 0.457 4.952 4.480 0.026 0.000 0.345 542 M C 0.778 176.901 176.300 -0.294 0.000 1.398 542 M CA 1.279 56.371 55.300 -0.347 0.000 1.148 542 M CB -0.399 32.008 32.600 -0.322 0.000 1.663 542 M HN 0.893 nan 8.290 nan 0.000 0.464 543 G N 4.921 113.545 108.800 -0.292 0.000 2.536 543 G HA2 -0.349 3.627 3.960 0.026 0.000 0.280 543 G HA3 -0.349 3.627 3.960 0.026 0.000 0.280 543 G C -0.258 174.181 174.900 -0.768 0.000 1.152 543 G CA 0.295 45.090 45.100 -0.509 0.000 0.970 543 G HN 0.862 nan 8.290 nan 0.000 0.549 544 N N 1.520 119.666 118.700 -0.925 0.000 2.602 544 N HA 0.610 5.366 4.740 0.026 0.000 0.238 544 N C -0.041 175.212 175.510 -0.428 0.000 1.084 544 N CA 0.826 53.403 53.050 -0.789 0.000 0.952 544 N CB 0.713 38.718 38.487 -0.802 0.000 1.244 544 N HN 0.625 nan 8.380 nan 0.000 0.512 545 S N 1.495 117.018 115.700 -0.295 0.000 3.255 545 S HA 0.577 5.063 4.470 0.026 0.000 0.305 545 S C -0.180 174.344 174.600 -0.127 0.000 1.067 545 S CA -0.393 57.696 58.200 -0.185 0.000 0.966 545 S CB 0.349 63.465 63.200 -0.140 0.000 1.366 545 S HN 0.398 nan 8.310 nan 0.000 0.717 546 L N 0.099 121.286 121.223 -0.060 0.000 4.639 546 L HA -0.076 4.280 4.340 0.026 0.000 0.402 546 L C 0.456 177.378 176.870 0.087 0.000 1.069 546 L CA 0.868 55.702 54.840 -0.009 0.000 1.105 546 L CB -1.898 40.067 42.059 -0.157 0.000 2.122 546 L HN 0.666 nan 8.230 nan 0.000 0.662 547 G N -1.176 107.649 108.800 0.042 0.000 2.442 547 G HA2 0.504 4.479 3.960 0.026 0.000 0.249 547 G HA3 0.504 4.479 3.960 0.026 0.000 0.249 547 G C 1.221 176.206 174.900 0.141 0.000 1.263 547 G CA 0.140 45.255 45.100 0.025 0.000 0.846 547 G HN 1.330 nan 8.290 nan 0.000 0.555 548 G N 1.428 110.308 108.800 0.134 0.000 2.195 548 G HA2 -0.328 3.647 3.960 0.026 0.000 0.246 548 G HA3 -0.328 3.647 3.960 0.026 0.000 0.246 548 G C 1.177 176.261 174.900 0.308 0.000 0.984 548 G CA 0.837 46.062 45.100 0.209 0.000 0.633 548 G HN 0.868 nan 8.290 nan 0.000 0.525 549 F N 2.067 122.154 119.950 0.229 0.000 2.082 549 F HA -0.141 4.402 4.527 0.027 0.000 0.298 549 F C 2.792 178.836 175.800 0.406 0.000 1.091 549 F CA 3.212 61.414 58.000 0.337 0.000 1.230 549 F CB -0.641 38.491 39.000 0.221 0.000 0.983 549 F HN 0.464 nan 8.300 nan 0.000 0.485 550 A N -0.330 122.629 122.820 0.231 0.000 1.908 550 A HA -0.239 4.097 4.320 0.026 0.000 0.218 550 A C 2.316 179.911 177.584 0.019 0.000 1.181 550 A CA 1.843 53.960 52.037 0.133 0.000 0.627 550 A CB -0.759 18.325 19.000 0.140 0.000 0.818 550 A HN 0.431 nan 8.150 nan 0.000 0.445 551 K N -1.433 118.960 120.400 -0.011 0.000 2.059 551 K HA -0.235 4.100 4.320 0.026 0.000 0.212 551 K C 1.869 178.239 176.600 -0.384 0.000 1.050 551 K CA 2.220 58.417 56.287 -0.149 0.000 0.927 551 K CB -0.454 31.959 32.500 -0.144 0.000 0.714 551 K HN 0.680 nan 8.250 nan 0.000 0.447 552 Y N -0.775 119.227 120.300 -0.497 0.000 2.128 552 Y HA -0.264 4.301 4.550 0.025 0.000 0.284 552 Y C 2.184 177.083 175.900 -1.669 0.000 1.154 552 Y CA 1.411 58.822 58.100 -1.148 0.000 1.149 552 Y CB -0.365 37.419 38.460 -1.127 0.000 0.976 552 Y HN 0.209 nan 8.280 nan 0.000 0.505 553 W N 0.425 121.338 121.300 -0.646 0.000 2.421 553 W HA -0.179 4.499 4.660 0.028 0.000 0.270 553 W C 2.453 178.841 176.519 -0.219 0.000 1.233 553 W CA 1.669 58.785 57.345 -0.382 0.000 1.226 553 W CB -0.393 28.916 29.460 -0.250 0.000 1.121 553 W HN 0.248 nan 8.180 nan 0.000 0.579 554 Q N -0.472 119.239 119.800 -0.148 0.000 2.402 554 Q HA 0.121 4.477 4.340 0.026 0.000 0.206 554 Q C 1.973 177.939 176.000 -0.057 0.000 0.919 554 Q CA 1.037 56.813 55.803 -0.045 0.000 0.923 554 Q CB -0.178 28.551 28.738 -0.015 0.000 1.048 554 Q HN 0.107 nan 8.270 nan 0.000 0.515 555 A N 1.011 123.693 122.820 -0.230 0.000 1.855 555 A HA 0.021 4.357 4.320 0.026 0.000 0.213 555 A C 1.803 179.390 177.584 0.006 0.000 1.195 555 A CA 0.739 52.665 52.037 -0.184 0.000 0.610 555 A CB -1.049 17.689 19.000 -0.437 0.000 0.837 555 A HN 0.489 nan 8.150 nan 0.000 0.444 556 F N 0.031 119.826 119.950 -0.258 0.000 2.115 556 F HA -0.291 4.252 4.527 0.026 0.000 0.300 556 F C 2.789 178.517 175.800 -0.120 0.000 1.092 556 F CA 1.355 59.168 58.000 -0.312 0.000 1.245 556 F CB -0.181 38.393 39.000 -0.710 0.000 0.995 556 F HN 0.179 nan 8.300 nan 0.000 0.481 557 R N -0.134 120.455 120.500 0.147 0.000 2.093 557 R HA -0.142 4.214 4.340 0.026 0.000 0.224 557 R C 2.113 178.473 176.300 0.101 0.000 1.101 557 R CA 1.030 57.203 56.100 0.121 0.000 0.979 557 R CB -0.448 29.921 30.300 0.115 0.000 0.877 557 R HN 0.374 nan 8.270 nan 0.000 0.441 558 Q N -0.183 119.705 119.800 0.146 0.000 2.311 558 Q HA -0.052 4.303 4.340 0.026 0.000 0.203 558 Q C -0.527 175.491 176.000 0.030 0.000 0.954 558 Q CA 0.834 56.703 55.803 0.111 0.000 0.885 558 Q CB 0.445 29.294 28.738 0.184 0.000 0.963 558 Q HN 0.201 nan 8.270 nan 0.000 0.471 559 Y N -0.087 120.207 120.300 -0.011 0.000 2.356 559 Y HA 0.275 4.839 4.550 0.023 0.000 0.334 559 Y C -1.782 174.105 175.900 -0.022 0.000 0.958 559 Y CA -2.798 55.294 58.100 -0.012 0.000 1.196 559 Y CB 1.501 39.958 38.460 -0.005 0.000 1.137 559 Y HN 0.079 nan 8.280 nan 0.000 0.485 560 P HA -0.215 nan 4.420 nan 0.000 0.216 560 P C 1.190 178.501 177.300 0.018 0.000 1.157 560 P CA 1.918 65.025 63.100 0.012 0.000 0.880 560 P CB 0.317 32.007 31.700 -0.017 0.000 0.791 561 R N -1.140 119.390 120.500 0.050 0.000 2.316 561 R HA 0.056 4.411 4.340 0.026 0.000 0.202 561 R C 0.427 176.731 176.300 0.007 0.000 1.029 561 R CA 0.381 56.500 56.100 0.031 0.000 1.018 561 R CB -0.519 29.808 30.300 0.046 0.000 0.888 561 R HN 0.292 nan 8.270 nan 0.000 0.471 562 L N 1.697 122.941 121.223 0.035 0.000 2.314 562 L HA 0.201 4.557 4.340 0.026 0.000 0.275 562 L C 0.482 177.245 176.870 -0.179 0.000 1.068 562 L CA -0.063 54.755 54.840 -0.037 0.000 0.894 562 L CB 1.297 43.406 42.059 0.085 0.000 1.275 562 L HN -0.074 nan 8.230 nan 0.000 0.432 563 Q N 2.387 122.021 119.800 -0.277 0.000 2.217 563 Q HA 0.329 4.685 4.340 0.026 0.000 0.226 563 Q C 0.934 176.593 176.000 -0.569 0.000 0.875 563 Q CA 0.129 55.738 55.803 -0.325 0.000 0.974 563 Q CB 0.764 29.388 28.738 -0.189 0.000 1.079 563 Q HN 0.899 nan 8.270 nan 0.000 0.463 564 G N -0.736 107.371 108.800 -1.154 0.000 2.482 564 G HA2 0.076 4.051 3.960 0.026 0.000 0.214 564 G HA3 0.076 4.051 3.960 0.026 0.000 0.214 564 G C -0.173 173.918 174.900 -1.349 0.000 1.271 564 G CA -0.789 43.251 45.100 -1.768 0.000 0.944 564 G HN 0.617 nan 8.290 nan 0.000 0.568 565 G N -2.422 105.825 108.800 -0.921 0.000 2.340 565 G HA2 0.647 4.622 3.960 0.026 0.000 0.299 565 G HA3 0.647 4.622 3.960 0.026 0.000 0.299 565 G C -1.878 172.853 174.900 -0.282 0.000 1.291 565 G CA -0.263 44.540 45.100 -0.495 0.000 0.841 565 G HN 1.144 nan 8.290 nan 0.000 0.500 566 F N 0.768 120.954 119.950 0.393 0.000 2.427 566 F HA 0.520 5.062 4.527 0.024 0.000 0.348 566 F C 0.690 176.731 175.800 0.401 0.000 1.125 566 F CA -0.701 57.530 58.000 0.384 0.000 0.989 566 F CB 2.181 41.305 39.000 0.207 0.000 1.165 566 F HN 0.268 nan 8.300 nan 0.000 0.442 567 V N 2.829 122.978 119.914 0.393 0.000 2.811 567 V HA -0.070 4.065 4.120 0.026 0.000 0.302 567 V C -0.250 175.954 176.094 0.183 0.000 1.063 567 V CA -0.615 61.748 62.300 0.106 0.000 1.088 567 V CB 0.853 32.731 31.823 0.092 0.000 0.982 567 V HN 0.768 nan 8.190 nan 0.000 0.485 568 W N 6.211 127.582 121.300 0.119 0.000 2.278 568 W HA 0.445 5.119 4.660 0.025 0.000 0.317 568 W C -0.822 175.766 176.519 0.114 0.000 1.030 568 W CA -0.490 56.989 57.345 0.223 0.000 1.334 568 W CB 1.349 31.125 29.460 0.528 0.000 1.215 568 W HN 0.967 nan 8.180 nan 0.000 0.405 569 D N 2.745 122.823 120.400 -0.538 0.000 2.958 569 D HA 0.114 4.770 4.640 0.026 0.000 0.306 569 D C 0.729 176.805 176.300 -0.373 0.000 1.226 569 D CA -0.497 53.033 54.000 -0.784 0.000 1.032 569 D CB 0.156 39.951 40.800 -1.675 0.000 1.400 569 D HN 0.404 nan 8.370 nan 0.000 0.587 570 W N 0.419 121.401 121.300 -0.530 0.000 2.418 570 W HA 0.145 4.821 4.660 0.026 0.000 0.319 570 W C -0.325 175.986 176.519 -0.345 0.000 1.183 570 W CA 0.904 58.006 57.345 -0.404 0.000 1.327 570 W CB 0.247 29.496 29.460 -0.352 0.000 1.163 570 W HN 0.109 nan 8.180 nan 0.000 0.479 571 V N 1.950 121.658 119.914 -0.344 0.000 2.680 571 V HA 0.175 4.310 4.120 0.026 0.000 0.309 571 V C -0.809 175.134 176.094 -0.252 0.000 1.052 571 V CA -0.996 61.062 62.300 -0.402 0.000 0.908 571 V CB 1.424 33.146 31.823 -0.167 0.000 1.001 571 V HN -0.129 nan 8.190 nan 0.000 0.431 572 D N 2.405 122.665 120.400 -0.233 0.000 2.487 572 D HA 0.053 4.708 4.640 0.026 0.000 0.243 572 D C 0.612 176.841 176.300 -0.118 0.000 1.154 572 D CA 0.600 54.531 54.000 -0.116 0.000 0.876 572 D CB 0.843 41.661 40.800 0.029 0.000 1.161 572 D HN 0.581 nan 8.370 nan 0.000 0.478 573 Q N 1.066 120.708 119.800 -0.263 0.000 2.292 573 Q HA 0.054 4.409 4.340 0.026 0.000 0.247 573 Q C -0.001 175.969 176.000 -0.050 0.000 0.911 573 Q CA -0.231 55.198 55.803 -0.623 0.000 0.948 573 Q CB 0.044 28.476 28.738 -0.510 0.000 1.093 573 Q HN 0.430 nan 8.270 nan 0.000 0.428 574 S N -0.161 115.640 115.700 0.168 0.000 2.610 574 S HA 0.644 5.130 4.470 0.026 0.000 0.273 574 S C -0.247 174.542 174.600 0.316 0.000 1.274 574 S CA -0.780 57.613 58.200 0.322 0.000 1.023 574 S CB 1.025 64.370 63.200 0.242 0.000 0.962 574 S HN 0.224 nan 8.310 nan 0.000 0.523 575 L N 0.035 121.330 121.223 0.120 0.000 2.359 575 L HA 0.643 4.999 4.340 0.026 0.000 0.256 575 L C -0.636 176.109 176.870 -0.208 0.000 1.026 575 L CA -1.193 53.595 54.840 -0.086 0.000 0.828 575 L CB 0.887 42.789 42.059 -0.262 0.000 1.406 575 L HN 0.639 nan 8.230 nan 0.000 0.413 576 I N 0.843 121.224 120.570 -0.315 0.000 2.441 576 I HA 0.363 4.549 4.170 0.026 0.000 0.287 576 I C 0.042 175.748 176.117 -0.686 0.000 1.049 576 I CA -0.215 60.746 61.300 -0.564 0.000 1.381 576 I CB 0.599 38.230 38.000 -0.615 0.000 1.409 576 I HN 0.529 nan 8.210 nan 0.000 0.523 577 K N 5.291 125.026 120.400 -1.108 0.000 2.259 577 K HA 0.545 4.880 4.320 0.026 0.000 0.249 577 K C -1.534 174.521 176.600 -0.907 0.000 0.942 577 K CA -0.830 54.846 56.287 -1.017 0.000 0.816 577 K CB 2.268 33.931 32.500 -1.394 0.000 1.155 577 K HN 0.343 nan 8.250 nan 0.000 0.428 578 Y N 1.163 121.420 120.300 -0.072 0.000 2.377 578 Y HA 0.091 4.656 4.550 0.026 0.000 0.339 578 Y C 0.660 176.723 175.900 0.271 0.000 1.011 578 Y CA -0.876 57.289 58.100 0.108 0.000 1.093 578 Y CB 1.180 39.658 38.460 0.031 0.000 1.201 578 Y HN 0.671 nan 8.280 nan 0.000 0.455 579 D N 1.515 122.186 120.400 0.452 0.000 2.433 579 D HA -0.028 4.627 4.640 0.026 0.000 0.255 579 D C 1.079 177.462 176.300 0.139 0.000 1.226 579 D CA -0.256 53.887 54.000 0.238 0.000 1.015 579 D CB 0.628 41.506 40.800 0.131 0.000 1.091 579 D HN 0.819 nan 8.370 nan 0.000 0.527 580 E N 0.077 120.313 120.200 0.061 0.000 2.097 580 E HA -0.274 4.092 4.350 0.026 0.000 0.196 580 E C 0.901 177.521 176.600 0.032 0.000 1.000 580 E CA 1.469 57.886 56.400 0.029 0.000 0.804 580 E CB -0.379 29.319 29.700 -0.004 0.000 0.740 580 E HN 0.606 nan 8.360 nan 0.000 0.454 581 N N -0.259 118.467 118.700 0.044 0.000 2.322 581 N HA 0.060 4.815 4.740 0.026 0.000 0.194 581 N C 0.836 176.375 175.510 0.049 0.000 1.126 581 N CA 0.521 53.593 53.050 0.037 0.000 0.845 581 N CB 0.914 39.418 38.487 0.028 0.000 0.976 581 N HN 0.334 nan 8.380 nan 0.000 0.475 582 G N 1.049 109.896 108.800 0.078 0.000 2.160 582 G HA2 -0.237 3.739 3.960 0.026 0.000 0.244 582 G HA3 -0.237 3.739 3.960 0.026 0.000 0.244 582 G C -0.470 174.519 174.900 0.148 0.000 1.022 582 G CA -0.371 44.773 45.100 0.073 0.000 0.741 582 G HN 0.409 nan 8.290 nan 0.000 0.508 583 N N 0.864 119.696 118.700 0.220 0.000 2.492 583 N HA 0.569 5.325 4.740 0.026 0.000 0.289 583 N C -2.632 173.115 175.510 0.395 0.000 1.133 583 N CA -1.280 51.929 53.050 0.264 0.000 0.961 583 N CB 1.844 40.437 38.487 0.178 0.000 1.186 583 N HN 0.129 nan 8.380 nan 0.000 0.493 584 P HA 0.367 nan 4.420 nan 0.000 0.282 584 P C -0.670 176.660 177.300 0.049 0.000 1.259 584 P CA -0.393 62.702 63.100 -0.008 0.000 0.826 584 P CB 0.766 32.384 31.700 -0.138 0.000 1.064 585 W N -1.035 120.069 121.300 -0.327 0.000 3.213 585 W HA 0.435 5.110 4.660 0.026 0.000 0.318 585 W C -1.651 174.645 176.519 -0.371 0.000 1.248 585 W CA -0.955 56.146 57.345 -0.406 0.000 1.187 585 W CB 0.238 29.222 29.460 -0.793 0.000 1.403 585 W HN 0.095 nan 8.180 nan 0.000 0.556 586 S N 1.678 117.187 115.700 -0.318 0.000 2.474 586 S HA 0.610 5.096 4.470 0.026 0.000 0.276 586 S C 0.234 174.688 174.600 -0.244 0.000 1.227 586 S CA -0.123 57.917 58.200 -0.267 0.000 1.050 586 S CB 0.695 63.895 63.200 0.000 0.000 0.939 586 S HN 0.619 nan 8.310 nan 0.000 0.490 587 A N 3.064 125.658 122.820 -0.378 0.000 2.299 587 A HA 0.922 5.257 4.320 0.026 0.000 0.332 587 A C -0.709 177.083 177.584 0.346 0.000 1.131 587 A CA -0.602 51.329 52.037 -0.177 0.000 0.844 587 A CB 0.679 19.387 19.000 -0.487 0.000 1.251 587 A HN 0.884 nan 8.150 nan 0.000 0.486 588 Y N -1.378 119.265 120.300 0.572 0.000 3.141 588 Y HA 0.728 5.294 4.550 0.026 0.000 0.290 588 Y C 0.521 176.854 175.900 0.723 0.000 1.817 588 Y CA -1.273 57.206 58.100 0.632 0.000 1.067 588 Y CB -0.087 38.512 38.460 0.232 0.000 1.645 588 Y HN 1.014 nan 8.280 nan 0.000 0.470 589 G N 0.043 109.311 108.800 0.780 0.000 2.321 589 G HA2 0.373 4.348 3.960 0.026 0.000 0.237 589 G HA3 0.373 4.348 3.960 0.026 0.000 0.237 589 G C 1.075 176.357 174.900 0.638 0.000 1.282 589 G CA 0.465 45.908 45.100 0.571 0.000 0.886 589 G HN 2.025 nan 8.290 nan 0.000 0.528 590 G N 2.069 111.183 108.800 0.523 0.000 2.238 590 G HA2 -0.328 3.648 3.960 0.026 0.000 0.270 590 G HA3 -0.328 3.648 3.960 0.026 0.000 0.270 590 G C 0.923 176.085 174.900 0.437 0.000 0.977 590 G CA 0.896 46.247 45.100 0.418 0.000 0.639 590 G HN 0.700 nan 8.290 nan 0.000 0.544 591 D N -0.532 120.199 120.400 0.551 0.000 2.392 591 D HA 0.167 4.822 4.640 0.026 0.000 0.228 591 D C 0.931 177.341 176.300 0.183 0.000 1.003 591 D CA 0.579 54.785 54.000 0.343 0.000 0.917 591 D CB -0.211 40.736 40.800 0.246 0.000 0.890 591 D HN 0.455 nan 8.370 nan 0.000 0.532 592 F N -1.488 118.611 119.950 0.249 0.000 2.810 592 F HA 0.336 4.878 4.527 0.026 0.000 0.353 592 F C 1.647 177.547 175.800 0.167 0.000 1.227 592 F CA -0.513 57.591 58.000 0.174 0.000 1.210 592 F CB 0.613 39.691 39.000 0.131 0.000 1.039 592 F HN -0.086 nan 8.300 nan 0.000 0.509 593 G N 0.505 109.487 108.800 0.303 0.000 2.189 593 G HA2 -0.312 3.663 3.960 0.026 0.000 0.267 593 G HA3 -0.312 3.663 3.960 0.026 0.000 0.267 593 G C 0.085 175.134 174.900 0.247 0.000 0.975 593 G CA 0.309 45.545 45.100 0.226 0.000 0.644 593 G HN 0.523 nan 8.290 nan 0.000 0.537 594 D N 0.630 121.230 120.400 0.333 0.000 2.451 594 D HA 0.321 4.977 4.640 0.026 0.000 0.254 594 D C -0.226 176.211 176.300 0.228 0.000 1.204 594 D CA 0.876 55.062 54.000 0.310 0.000 0.896 594 D CB 0.966 42.014 40.800 0.413 0.000 1.136 594 D HN 0.061 nan 8.370 nan 0.000 0.499 595 T N 2.917 117.571 114.554 0.168 0.000 2.881 595 T HA 0.454 4.819 4.350 0.026 0.000 0.290 595 T C -2.225 172.514 174.700 0.065 0.000 1.000 595 T CA -1.069 61.095 62.100 0.106 0.000 0.978 595 T CB 1.796 70.721 68.868 0.095 0.000 0.997 595 T HN 0.401 nan 8.240 nan 0.000 0.443 596 P HA 0.479 nan 4.420 nan 0.000 0.289 596 P C -1.091 176.207 177.300 -0.004 0.000 1.299 596 P CA -0.624 62.477 63.100 0.002 0.000 0.766 596 P CB 0.632 32.303 31.700 -0.048 0.000 1.226 597 N N -1.744 116.951 118.700 -0.008 0.000 2.591 597 N HA 0.123 4.878 4.740 0.026 0.000 0.263 597 N C -1.169 174.326 175.510 -0.025 0.000 1.308 597 N CA -0.493 52.549 53.050 -0.014 0.000 0.837 597 N CB 1.385 39.958 38.487 0.144 0.000 1.548 597 N HN 0.189 nan 8.380 nan 0.000 0.493 598 D N 0.032 120.411 120.400 -0.035 0.000 2.462 598 D HA 0.089 4.745 4.640 0.026 0.000 0.221 598 D C 0.911 177.405 176.300 0.324 0.000 1.173 598 D CA -0.084 53.959 54.000 0.072 0.000 0.831 598 D CB 0.978 41.672 40.800 -0.177 0.000 1.001 598 D HN 0.715 nan 8.370 nan 0.000 0.499 599 R N 0.447 121.105 120.500 0.263 0.000 3.869 599 R HA -0.377 3.979 4.340 0.026 0.000 0.424 599 R C 0.760 176.807 176.300 -0.423 0.000 0.241 599 R CA 1.600 57.739 56.100 0.066 0.000 1.351 599 R CB -1.537 28.757 30.300 -0.009 0.000 0.979 599 R HN 0.016 nan 8.270 nan 0.000 0.572 600 Q N 0.839 120.134 119.800 -0.842 0.000 2.435 600 Q HA 0.224 4.579 4.340 0.026 0.000 0.207 600 Q C 1.747 177.405 176.000 -0.569 0.000 0.956 600 Q CA 1.565 56.784 55.803 -0.972 0.000 0.917 600 Q CB -0.212 27.925 28.738 -1.002 0.000 0.997 600 Q HN 0.487 nan 8.270 nan 0.000 0.497 601 F N 0.762 120.545 119.950 -0.278 0.000 2.549 601 F HA -0.195 4.348 4.527 0.026 0.000 0.295 601 F C 1.337 177.060 175.800 -0.128 0.000 1.124 601 F CA 0.688 58.627 58.000 -0.102 0.000 1.482 601 F CB -0.164 38.840 39.000 0.007 0.000 1.108 601 F HN 0.348 nan 8.300 nan 0.000 0.602 602 C N -1.057 118.017 119.300 -0.376 0.000 2.688 602 C HA 0.415 4.890 4.460 0.026 0.000 0.297 602 C C 0.572 175.394 174.990 -0.280 0.000 1.308 602 C CA -0.640 58.032 59.018 -0.576 0.000 1.726 602 C CB -1.453 25.253 27.740 -1.723 0.000 1.982 602 C HN 0.199 nan 8.230 nan 0.000 0.604 603 M N 3.024 122.520 119.600 -0.174 0.000 2.066 603 M HA 0.323 4.819 4.480 0.026 0.000 0.264 603 M C -0.582 175.656 176.300 -0.103 0.000 0.886 603 M CA 0.286 55.513 55.300 -0.121 0.000 0.810 603 M CB 0.365 32.892 32.600 -0.122 0.000 1.451 603 M HN 0.379 nan 8.290 nan 0.000 0.373 604 N N 0.505 119.163 118.700 -0.069 0.000 2.184 604 N HA 0.129 4.884 4.740 0.026 0.000 0.234 604 N C 0.557 175.931 175.510 -0.227 0.000 1.282 604 N CA -0.124 52.846 53.050 -0.133 0.000 0.877 604 N CB 1.204 39.738 38.487 0.079 0.000 1.184 604 N HN 0.586 nan 8.380 nan 0.000 0.510 605 G N 0.624 109.240 108.800 -0.307 0.000 2.667 605 G HA2 0.361 4.336 3.960 0.026 0.000 0.250 605 G HA3 0.361 4.336 3.960 0.026 0.000 0.250 605 G C 0.831 175.275 174.900 -0.760 0.000 1.212 605 G CA -0.400 44.397 45.100 -0.505 0.000 0.874 605 G HN 0.112 nan 8.290 nan 0.000 0.561 606 L N -0.321 120.428 121.223 -0.789 0.000 2.477 606 L HA 0.206 4.561 4.340 0.026 0.000 0.220 606 L C 0.732 176.998 176.870 -1.006 0.000 1.106 606 L CA 0.140 54.533 54.840 -0.746 0.000 0.851 606 L CB 0.134 41.932 42.059 -0.436 0.000 0.994 606 L HN 0.407 nan 8.230 nan 0.000 0.462 607 V N -4.565 114.638 119.914 -1.185 0.000 2.962 607 V HA 0.494 4.629 4.120 0.026 0.000 0.313 607 V C -0.366 175.266 176.094 -0.769 0.000 1.099 607 V CA -1.196 60.547 62.300 -0.929 0.000 0.971 607 V CB 1.638 32.965 31.823 -0.825 0.000 1.028 607 V HN -0.105 nan 8.190 nan 0.000 0.430 608 F N 1.987 121.794 119.950 -0.239 0.000 2.444 608 F HA 0.545 5.088 4.527 0.026 0.000 0.331 608 F C 1.967 177.684 175.800 -0.139 0.000 1.167 608 F CA 0.473 58.442 58.000 -0.051 0.000 1.262 608 F CB 1.048 40.065 39.000 0.028 0.000 1.196 608 F HN 0.809 nan 8.300 nan 0.000 0.583 609 A N 0.955 123.868 122.820 0.155 0.000 2.042 609 A HA -0.244 4.091 4.320 0.026 0.000 0.222 609 A C 1.600 179.148 177.584 -0.060 0.000 1.167 609 A CA 2.004 54.065 52.037 0.041 0.000 0.649 609 A CB -0.894 18.155 19.000 0.081 0.000 0.809 609 A HN 0.797 nan 8.150 nan 0.000 0.457 610 D N -2.929 117.463 120.400 -0.015 0.000 2.328 610 D HA 0.160 4.815 4.640 0.026 0.000 0.221 610 D C 0.522 176.808 176.300 -0.023 0.000 1.072 610 D CA 0.038 54.002 54.000 -0.058 0.000 0.850 610 D CB -0.088 40.677 40.800 -0.059 0.000 0.922 610 D HN 0.192 nan 8.370 nan 0.000 0.516 611 R N -0.584 119.905 120.500 -0.018 0.000 3.936 611 R HA -0.122 4.233 4.340 0.026 0.000 0.366 611 R C -0.264 176.046 176.300 0.016 0.000 1.158 611 R CA 1.037 57.113 56.100 -0.039 0.000 0.969 611 R CB -3.285 27.019 30.300 0.007 0.000 1.504 611 R HN 0.515 nan 8.270 nan 0.000 0.538 612 T N -1.382 113.240 114.554 0.112 0.000 2.889 612 T HA 0.651 5.016 4.350 0.026 0.000 0.291 612 T C -2.214 172.656 174.700 0.284 0.000 0.995 612 T CA -1.896 60.303 62.100 0.164 0.000 1.092 612 T CB 1.984 70.915 68.868 0.106 0.000 0.954 612 T HN -0.132 nan 8.240 nan 0.000 0.506 613 P HA 0.207 nan 4.420 nan 0.000 0.274 613 P C -0.224 177.139 177.300 0.104 0.000 1.231 613 P CA -0.372 62.747 63.100 0.031 0.000 0.790 613 P CB 0.409 32.125 31.700 0.026 0.000 0.951 614 H N 2.078 120.972 119.070 -0.294 0.000 2.509 614 H HA 0.158 4.730 4.556 0.026 0.000 0.359 614 H C -1.241 173.998 175.328 -0.149 0.000 1.253 614 H CA -1.962 53.894 56.048 -0.319 0.000 1.373 614 H CB 0.589 30.119 29.762 -0.387 0.000 1.555 614 H HN 0.313 nan 8.280 nan 0.000 0.586 615 P HA -0.100 nan 4.420 nan 0.000 0.219 615 P C 1.239 178.539 177.300 0.000 0.000 1.150 615 P CA 1.248 64.345 63.100 -0.005 0.000 0.814 615 P CB -0.047 31.643 31.700 -0.017 0.000 0.787 616 A N 0.379 123.197 122.820 -0.003 0.000 1.958 616 A HA -0.229 4.107 4.320 0.026 0.000 0.221 616 A C 2.111 179.640 177.584 -0.091 0.000 1.178 616 A CA 1.751 53.748 52.037 -0.068 0.000 0.642 616 A CB -1.764 17.174 19.000 -0.102 0.000 0.816 616 A HN 0.182 nan 8.150 nan 0.000 0.453 617 L N -0.444 120.746 121.223 -0.055 0.000 2.129 617 L HA -0.156 4.200 4.340 0.026 0.000 0.212 617 L C 2.360 179.254 176.870 0.040 0.000 1.087 617 L CA 2.725 57.562 54.840 -0.006 0.000 0.757 617 L CB -1.092 40.969 42.059 0.002 0.000 0.896 617 L HN 0.370 nan 8.230 nan 0.000 0.434 618 T N -1.207 113.376 114.554 0.050 0.000 2.812 618 T HA -0.141 4.224 4.350 0.026 0.000 0.264 618 T C 1.676 176.453 174.700 0.129 0.000 1.042 618 T CA 1.209 63.388 62.100 0.131 0.000 1.140 618 T CB 0.046 68.987 68.868 0.121 0.000 0.870 618 T HN 0.414 nan 8.240 nan 0.000 0.445 619 E N 1.433 121.663 120.200 0.049 0.000 2.049 619 E HA -0.116 4.250 4.350 0.026 0.000 0.198 619 E C 2.185 178.779 176.600 -0.010 0.000 1.007 619 E CA 1.522 57.953 56.400 0.053 0.000 0.809 619 E CB -0.530 29.183 29.700 0.022 0.000 0.749 619 E HN 0.411 nan 8.360 nan 0.000 0.450 620 A N 1.142 123.835 122.820 -0.212 0.000 1.863 620 A HA -0.395 3.940 4.320 0.026 0.000 0.218 620 A C 2.176 179.612 177.584 -0.247 0.000 1.233 620 A CA 2.879 54.748 52.037 -0.281 0.000 0.655 620 A CB -1.114 17.745 19.000 -0.235 0.000 0.839 620 A HN 0.362 nan 8.150 nan 0.000 0.454 621 K N -1.214 119.094 120.400 -0.154 0.000 2.097 621 K HA -0.319 4.017 4.320 0.026 0.000 0.214 621 K C 2.094 178.552 176.600 -0.237 0.000 1.052 621 K CA 2.454 58.669 56.287 -0.121 0.000 0.932 621 K CB -0.513 32.067 32.500 0.132 0.000 0.716 621 K HN 0.804 nan 8.250 nan 0.000 0.455 622 H N -1.050 117.788 119.070 -0.386 0.000 2.363 622 H HA -0.041 4.531 4.556 0.027 0.000 0.301 622 H C 1.836 176.873 175.328 -0.485 0.000 1.074 622 H CA 1.172 56.835 56.048 -0.641 0.000 1.354 622 H CB 0.323 29.683 29.762 -0.669 0.000 1.397 622 H HN 0.325 nan 8.280 nan 0.000 0.516 623 Q N 0.644 120.128 119.800 -0.527 0.000 2.119 623 Q HA -0.109 4.247 4.340 0.026 0.000 0.201 623 Q C 1.967 177.416 176.000 -0.920 0.000 0.972 623 Q CA 1.089 56.505 55.803 -0.645 0.000 0.847 623 Q CB -0.140 28.352 28.738 -0.409 0.000 0.903 623 Q HN 0.711 nan 8.270 nan 0.000 0.433 624 Q N 1.287 120.520 119.800 -0.945 0.000 2.482 624 Q HA -0.012 4.343 4.340 0.026 0.000 0.209 624 Q C 0.470 175.892 176.000 -0.964 0.000 0.961 624 Q CA -0.165 54.956 55.803 -1.136 0.000 0.945 624 Q CB -0.092 28.011 28.738 -1.058 0.000 1.012 624 Q HN 0.438 nan 8.270 nan 0.000 0.515 625 Q N -0.025 119.358 119.800 -0.694 0.000 2.386 625 Q HA -0.042 4.314 4.340 0.026 0.000 0.282 625 Q C -0.440 175.216 176.000 -0.574 0.000 1.050 625 Q CA 0.201 55.706 55.803 -0.497 0.000 0.918 625 Q CB 0.389 28.993 28.738 -0.223 0.000 1.266 625 Q HN 0.175 nan 8.270 nan 0.000 0.423 626 F N 0.832 120.561 119.950 -0.369 0.000 2.797 626 F HA 0.323 4.865 4.527 0.025 0.000 0.302 626 F C -0.271 175.044 175.800 -0.809 0.000 1.130 626 F CA -0.285 57.285 58.000 -0.717 0.000 1.387 626 F CB 0.215 38.396 39.000 -1.364 0.000 1.107 626 F HN 0.304 nan 8.300 nan 0.000 0.577 627 F N 0.495 120.416 119.950 -0.048 0.000 2.529 627 F HA 0.511 5.054 4.527 0.027 0.000 0.320 627 F C -0.055 175.544 175.800 -0.336 0.000 1.118 627 F CA -1.080 56.809 58.000 -0.185 0.000 0.915 627 F CB 1.397 40.320 39.000 -0.129 0.000 1.161 627 F HN -0.320 nan 8.300 nan 0.000 0.445 628 Q N 3.165 122.784 119.800 -0.302 0.000 2.342 628 Q HA 0.569 4.924 4.340 0.026 0.000 0.267 628 Q C -1.383 174.311 176.000 -0.512 0.000 1.038 628 Q CA -0.653 55.007 55.803 -0.239 0.000 0.832 628 Q CB 2.835 31.528 28.738 -0.076 0.000 1.323 628 Q HN 0.512 nan 8.270 nan 0.000 0.448 629 F N 0.380 120.457 119.950 0.212 0.000 2.565 629 F HA 0.600 5.142 4.527 0.026 0.000 0.313 629 F C 0.291 176.333 175.800 0.404 0.000 1.091 629 F CA -0.777 57.419 58.000 0.327 0.000 0.915 629 F CB 1.926 41.237 39.000 0.519 0.000 1.208 629 F HN 0.145 nan 8.300 nan 0.000 0.453 630 R N 1.752 122.547 120.500 0.492 0.000 2.673 630 R HA 0.700 5.056 4.340 0.026 0.000 0.281 630 R C -1.909 174.436 176.300 0.074 0.000 0.991 630 R CA -1.189 55.116 56.100 0.342 0.000 0.896 630 R CB 3.090 33.489 30.300 0.166 0.000 1.201 630 R HN 0.660 nan 8.270 nan 0.000 0.457 631 L N 0.881 121.990 121.223 -0.190 0.000 2.325 631 L HA 0.479 4.834 4.340 0.026 0.000 0.281 631 L C -0.888 175.807 176.870 -0.292 0.000 1.004 631 L CA 0.044 54.578 54.840 -0.509 0.000 0.823 631 L CB 2.005 43.282 42.059 -1.303 0.000 1.236 631 L HN 0.506 nan 8.230 nan 0.000 0.415 632 S N 4.015 119.587 115.700 -0.212 0.000 2.667 632 S HA 0.700 5.186 4.470 0.026 0.000 0.304 632 S C 0.442 174.951 174.600 -0.152 0.000 1.135 632 S CA 0.259 58.373 58.200 -0.144 0.000 1.125 632 S CB 0.233 63.381 63.200 -0.086 0.000 0.996 632 S HN 1.371 nan 8.310 nan 0.000 0.474 633 G N 4.515 113.219 108.800 -0.159 0.000 2.574 633 G HA2 -0.331 3.645 3.960 0.026 0.000 0.301 633 G HA3 -0.331 3.645 3.960 0.026 0.000 0.301 633 G C 0.390 175.183 174.900 -0.178 0.000 1.166 633 G CA 0.666 45.680 45.100 -0.144 0.000 0.971 633 G HN 0.971 nan 8.290 nan 0.000 0.542 634 Q N 0.200 119.904 119.800 -0.160 0.000 2.186 634 Q HA 0.489 4.844 4.340 0.026 0.000 0.241 634 Q C -0.233 175.645 176.000 -0.203 0.000 0.849 634 Q CA 0.536 56.224 55.803 -0.192 0.000 1.053 634 Q CB 0.354 28.987 28.738 -0.175 0.000 1.146 634 Q HN 0.443 nan 8.270 nan 0.000 0.475 635 T N 1.842 116.284 114.554 -0.186 0.000 2.792 635 T HA 0.525 4.891 4.350 0.026 0.000 0.280 635 T C -0.237 174.363 174.700 -0.165 0.000 0.990 635 T CA -0.496 61.512 62.100 -0.154 0.000 0.960 635 T CB 1.126 69.930 68.868 -0.107 0.000 0.939 635 T HN 0.228 nan 8.240 nan 0.000 0.439 636 I N 2.589 123.085 120.570 -0.124 0.000 2.359 636 I HA 0.389 4.575 4.170 0.026 0.000 0.294 636 I C 0.482 176.610 176.117 0.019 0.000 0.987 636 I CA -0.715 60.550 61.300 -0.057 0.000 1.225 636 I CB 1.405 39.426 38.000 0.034 0.000 1.366 636 I HN 0.565 nan 8.210 nan 0.000 0.466 637 E N 6.530 126.765 120.200 0.057 0.000 2.114 637 E HA 0.411 4.777 4.350 0.026 0.000 0.266 637 E C -1.622 175.024 176.600 0.077 0.000 0.896 637 E CA -0.557 55.877 56.400 0.057 0.000 0.750 637 E CB 1.804 31.525 29.700 0.035 0.000 1.121 637 E HN 0.390 nan 8.360 nan 0.000 0.413 638 V N 4.130 124.057 119.914 0.023 0.000 2.394 638 V HA 0.328 4.463 4.120 0.026 0.000 0.282 638 V C -0.017 176.050 176.094 -0.044 0.000 1.031 638 V CA -0.475 61.771 62.300 -0.090 0.000 0.881 638 V CB 1.658 33.449 31.823 -0.054 0.000 0.982 638 V HN 0.681 nan 8.190 nan 0.000 0.451 639 T N 3.343 117.852 114.554 -0.075 0.000 2.792 639 T HA 0.338 4.704 4.350 0.026 0.000 0.280 639 T C -0.027 174.680 174.700 0.012 0.000 0.990 639 T CA -0.293 61.796 62.100 -0.018 0.000 0.960 639 T CB 1.500 70.346 68.868 -0.038 0.000 0.939 639 T HN 0.703 nan 8.240 nan 0.000 0.439 640 S N 1.987 117.704 115.700 0.028 0.000 2.537 640 S HA 0.255 4.741 4.470 0.026 0.000 0.275 640 S C 0.634 175.132 174.600 -0.171 0.000 1.272 640 S CA -0.466 57.685 58.200 -0.081 0.000 1.050 640 S CB 0.847 64.064 63.200 0.027 0.000 0.961 640 S HN 0.772 nan 8.310 nan 0.000 0.496 641 E N 2.588 122.592 120.200 -0.326 0.000 2.538 641 E HA 0.180 4.545 4.350 0.026 0.000 0.207 641 E C -0.916 175.540 176.600 -0.240 0.000 1.002 641 E CA -0.211 56.049 56.400 -0.233 0.000 0.952 641 E CB 0.372 29.946 29.700 -0.210 0.000 1.031 641 E HN 0.732 nan 8.360 nan 0.000 0.476 642 Y N 0.123 120.295 120.300 -0.212 0.000 2.346 642 Y HA 0.056 4.621 4.550 0.026 0.000 0.330 642 Y C 1.245 176.989 175.900 -0.260 0.000 1.178 642 Y CA -0.044 57.903 58.100 -0.256 0.000 1.331 642 Y CB 0.817 39.100 38.460 -0.294 0.000 1.253 642 Y HN 0.001 nan 8.280 nan 0.000 0.529 643 L N 1.542 122.644 121.223 -0.201 0.000 2.556 643 L HA 0.131 4.487 4.340 0.026 0.000 0.226 643 L C 0.463 176.953 176.870 -0.635 0.000 1.089 643 L CA 0.449 54.957 54.840 -0.554 0.000 0.864 643 L CB 0.100 41.500 42.059 -1.098 0.000 1.067 643 L HN 0.641 nan 8.230 nan 0.000 0.477 644 F N -0.494 119.465 119.950 0.014 0.000 2.729 644 F HA 0.228 4.769 4.527 0.024 0.000 0.304 644 F C 1.288 177.061 175.800 -0.044 0.000 1.008 644 F CA -0.824 57.158 58.000 -0.031 0.000 1.188 644 F CB 0.403 39.366 39.000 -0.062 0.000 0.980 644 F HN -0.135 nan 8.300 nan 0.000 0.627 645 R N -0.160 120.375 120.500 0.059 0.000 2.782 645 R HA 0.550 4.905 4.340 0.026 0.000 0.258 645 R C -1.275 175.009 176.300 -0.026 0.000 1.055 645 R CA -0.667 55.412 56.100 -0.035 0.000 1.065 645 R CB 0.909 31.092 30.300 -0.195 0.000 1.172 645 R HN 0.082 nan 8.270 nan 0.000 0.510 646 H N -0.171 118.861 119.070 -0.065 0.000 2.472 646 H HA 0.248 4.819 4.556 0.026 0.000 0.338 646 H C -0.573 174.771 175.328 0.025 0.000 1.133 646 H CA -0.681 55.372 56.048 0.008 0.000 1.216 646 H CB 1.506 31.283 29.762 0.024 0.000 1.497 646 H HN 0.771 nan 8.280 nan 0.000 0.500 647 S N 3.208 118.978 115.700 0.117 0.000 2.560 647 S HA -0.021 4.464 4.470 0.026 0.000 0.323 647 S C -0.125 174.654 174.600 0.299 0.000 1.191 647 S CA -0.097 58.260 58.200 0.262 0.000 1.231 647 S CB -0.341 62.991 63.200 0.220 0.000 1.224 647 S HN 0.751 nan 8.310 nan 0.000 0.545 648 D N 0.504 121.023 120.400 0.198 0.000 2.556 648 D HA 0.103 4.758 4.640 0.026 0.000 0.237 648 D C 0.073 176.425 176.300 0.086 0.000 1.296 648 D CA -0.439 53.644 54.000 0.138 0.000 0.807 648 D CB -0.278 40.576 40.800 0.091 0.000 1.084 648 D HN 0.486 nan 8.370 nan 0.000 0.510 649 N N 0.261 119.022 118.700 0.102 0.000 2.595 649 N HA 0.165 4.921 4.740 0.026 0.000 0.291 649 N C -1.401 174.178 175.510 0.116 0.000 1.706 649 N CA -0.057 53.043 53.050 0.083 0.000 0.867 649 N CB 0.473 38.992 38.487 0.054 0.000 1.414 649 N HN -0.038 nan 8.380 nan 0.000 0.492 650 E N -0.079 120.186 120.200 0.109 0.000 2.272 650 E HA 0.600 4.965 4.350 0.026 0.000 0.269 650 E C -1.727 174.909 176.600 0.060 0.000 0.877 650 E CA -0.677 55.775 56.400 0.087 0.000 0.755 650 E CB 2.462 32.180 29.700 0.030 0.000 1.192 650 E HN 0.185 nan 8.360 nan 0.000 0.422 651 L N 2.982 124.241 121.223 0.061 0.000 2.493 651 L HA 0.568 4.924 4.340 0.026 0.000 0.265 651 L C -2.121 174.811 176.870 0.103 0.000 0.954 651 L CA -0.827 54.059 54.840 0.077 0.000 0.844 651 L CB 1.773 43.881 42.059 0.083 0.000 1.302 651 L HN 0.578 nan 8.230 nan 0.000 0.405 652 L N 4.541 125.841 121.223 0.128 0.000 2.307 652 L HA 0.556 4.911 4.340 0.026 0.000 0.284 652 L C -1.200 175.812 176.870 0.237 0.000 1.023 652 L CA 0.076 55.031 54.840 0.192 0.000 0.810 652 L CB 1.047 43.234 42.059 0.213 0.000 1.231 652 L HN 0.721 nan 8.230 nan 0.000 0.423 653 H N 6.116 125.271 119.070 0.141 0.000 2.481 653 H HA 0.365 4.937 4.556 0.026 0.000 0.333 653 H C -1.712 173.717 175.328 0.168 0.000 1.066 653 H CA -0.553 55.538 56.048 0.073 0.000 1.209 653 H CB 0.964 30.725 29.762 -0.002 0.000 1.445 653 H HN 0.815 nan 8.280 nan 0.000 0.488 654 W N 5.705 126.867 121.300 -0.232 0.000 2.761 654 W HA 0.543 5.218 4.660 0.026 0.000 0.340 654 W C -1.646 174.805 176.519 -0.114 0.000 1.072 654 W CA -1.429 55.885 57.345 -0.052 0.000 1.215 654 W CB 1.355 30.813 29.460 -0.003 0.000 1.420 654 W HN 0.575 nan 8.180 nan 0.000 0.519 655 M N 2.844 122.656 119.600 0.353 0.000 2.421 655 M HA 0.643 5.138 4.480 0.026 0.000 0.287 655 M C -2.474 174.030 176.300 0.339 0.000 1.183 655 M CA -0.542 54.889 55.300 0.218 0.000 0.916 655 M CB 2.343 35.026 32.600 0.138 0.000 1.701 655 M HN 0.144 nan 8.290 nan 0.000 0.470 656 V N 3.048 123.145 119.914 0.305 0.000 2.513 656 V HA 1.019 5.155 4.120 0.026 0.000 0.299 656 V C -0.277 175.929 176.094 0.188 0.000 1.035 656 V CA -0.135 62.327 62.300 0.270 0.000 0.889 656 V CB 1.422 33.406 31.823 0.269 0.000 0.988 656 V HN 1.064 nan 8.190 nan 0.000 0.440 657 A N 4.149 127.093 122.820 0.207 0.000 2.574 657 A HA 0.801 5.136 4.320 0.026 0.000 0.297 657 A C -1.691 176.013 177.584 0.200 0.000 1.062 657 A CA -0.557 51.572 52.037 0.154 0.000 0.686 657 A CB 1.682 20.742 19.000 0.099 0.000 1.285 657 A HN 0.791 nan 8.150 nan 0.000 0.403 658 L N 1.858 123.167 121.223 0.143 0.000 2.262 658 L HA 0.525 4.881 4.340 0.026 0.000 0.288 658 L C -0.547 176.416 176.870 0.154 0.000 1.035 658 L CA 0.107 55.043 54.840 0.161 0.000 0.820 658 L CB 0.018 42.140 42.059 0.106 0.000 1.204 658 L HN 0.746 nan 8.230 nan 0.000 0.424 659 D N 4.694 125.243 120.400 0.249 0.000 2.740 659 D HA -0.200 4.455 4.640 0.026 0.000 0.231 659 D C 1.131 177.446 176.300 0.026 0.000 1.194 659 D CA 1.350 55.473 54.000 0.205 0.000 0.673 659 D CB -1.171 39.745 40.800 0.193 0.000 0.995 659 D HN 1.195 nan 8.370 nan 0.000 0.411 660 G N -0.028 108.755 108.800 -0.028 0.000 2.179 660 G HA2 -0.374 3.601 3.960 0.026 0.000 0.257 660 G HA3 -0.374 3.601 3.960 0.026 0.000 0.257 660 G C 0.030 174.852 174.900 -0.130 0.000 1.010 660 G CA 0.822 45.807 45.100 -0.191 0.000 0.736 660 G HN 0.562 nan 8.290 nan 0.000 0.513 661 K N 1.016 121.393 120.400 -0.038 0.000 2.521 661 K HA 0.509 4.845 4.320 0.026 0.000 0.248 661 K C -2.702 173.899 176.600 0.002 0.000 0.978 661 K CA -2.165 54.105 56.287 -0.028 0.000 0.947 661 K CB 2.435 34.932 32.500 -0.005 0.000 1.165 661 K HN 0.016 nan 8.250 nan 0.000 0.445 662 P HA -0.029 nan 4.420 nan 0.000 0.265 662 P C -0.095 177.219 177.300 0.023 0.000 1.187 662 P CA 0.047 63.152 63.100 0.008 0.000 0.766 662 P CB 0.619 32.308 31.700 -0.017 0.000 0.820 663 L N 0.269 121.522 121.223 0.050 0.000 3.174 663 L HA 0.602 4.957 4.340 0.026 0.000 0.283 663 L C 0.590 177.500 176.870 0.067 0.000 1.187 663 L CA -0.076 54.797 54.840 0.056 0.000 1.018 663 L CB 0.417 42.522 42.059 0.077 0.000 1.433 663 L HN 0.402 nan 8.230 nan 0.000 0.593 664 A N 0.429 123.287 122.820 0.063 0.000 2.581 664 A HA 0.659 4.995 4.320 0.026 0.000 0.294 664 A C -0.821 176.672 177.584 -0.152 0.000 1.035 664 A CA 0.164 52.230 52.037 0.049 0.000 0.684 664 A CB 1.206 20.359 19.000 0.256 0.000 1.282 664 A HN 0.095 nan 8.150 nan 0.000 0.417 665 S N -0.304 115.056 115.700 -0.566 0.000 2.611 665 S HA 0.980 5.465 4.470 0.026 0.000 0.268 665 S C -0.294 173.290 174.600 -1.694 0.000 1.156 665 S CA 0.040 57.475 58.200 -1.274 0.000 0.817 665 S CB 1.120 63.931 63.200 -0.648 0.000 1.122 665 S HN 2.709 nan 8.310 nan 0.000 0.466 666 G N -0.012 107.480 108.800 -2.179 0.000 2.547 666 G HA2 0.596 4.572 3.960 0.026 0.000 0.291 666 G HA3 0.596 4.572 3.960 0.026 0.000 0.291 666 G C -2.367 172.006 174.900 -0.879 0.000 1.471 666 G CA -0.805 43.568 45.100 -1.211 0.000 0.798 666 G HN 0.789 nan 8.290 nan 0.000 0.504 667 E N -1.111 118.955 120.200 -0.223 0.000 2.293 667 E HA 0.649 5.015 4.350 0.026 0.000 0.270 667 E C -1.212 175.457 176.600 0.116 0.000 0.879 667 E CA -0.963 55.430 56.400 -0.013 0.000 0.756 667 E CB 3.312 33.035 29.700 0.037 0.000 1.208 667 E HN 0.350 nan 8.360 nan 0.000 0.428 668 V N 2.901 122.905 119.914 0.150 0.000 2.559 668 V HA 0.285 4.421 4.120 0.026 0.000 0.289 668 V C -2.349 173.809 176.094 0.107 0.000 1.036 668 V CA -1.811 60.571 62.300 0.137 0.000 0.887 668 V CB 1.411 33.334 31.823 0.167 0.000 1.022 668 V HN 0.630 nan 8.190 nan 0.000 0.442 669 P HA 0.047 nan 4.420 nan 0.000 0.266 669 P C -0.905 176.437 177.300 0.070 0.000 1.186 669 P CA 0.344 63.489 63.100 0.074 0.000 0.767 669 P CB 0.814 32.555 31.700 0.068 0.000 0.820 670 L N 1.085 122.342 121.223 0.056 0.000 2.322 670 L HA 0.519 4.874 4.340 0.026 0.000 0.281 670 L C 0.188 177.124 176.870 0.109 0.000 1.014 670 L CA -0.523 54.345 54.840 0.047 0.000 0.815 670 L CB 1.319 43.352 42.059 -0.044 0.000 1.247 670 L HN 0.179 nan 8.230 nan 0.000 0.421 671 D N 2.369 122.854 120.400 0.141 0.000 2.485 671 D HA 0.466 5.122 4.640 0.026 0.000 0.256 671 D C -1.153 175.233 176.300 0.144 0.000 1.141 671 D CA -0.027 54.156 54.000 0.304 0.000 0.942 671 D CB 1.088 42.047 40.800 0.266 0.000 1.003 671 D HN 0.236 nan 8.370 nan 0.000 0.507 672 V N 1.483 121.316 119.914 -0.136 0.000 2.531 672 V HA 0.827 4.963 4.120 0.026 0.000 0.301 672 V C 0.507 176.216 176.094 -0.641 0.000 1.034 672 V CA -1.184 60.986 62.300 -0.217 0.000 0.865 672 V CB 1.403 33.237 31.823 0.018 0.000 0.995 672 V HN 0.450 nan 8.190 nan 0.000 0.424 673 A N 6.052 128.637 122.820 -0.392 0.000 2.242 673 A HA 0.905 5.241 4.320 0.026 0.000 0.304 673 A C -2.585 174.945 177.584 -0.089 0.000 1.100 673 A CA -1.881 49.993 52.037 -0.271 0.000 0.860 673 A CB 0.181 19.186 19.000 0.009 0.000 1.168 673 A HN 0.659 nan 8.150 nan 0.000 0.503 674 P HA 0.051 nan 4.420 nan 0.000 0.265 674 P C -0.612 176.663 177.300 -0.042 0.000 1.187 674 P CA 0.569 63.654 63.100 -0.026 0.000 0.766 674 P CB 0.251 31.926 31.700 -0.042 0.000 0.820 675 Q N -1.272 118.494 119.800 -0.057 0.000 2.461 675 Q HA -0.191 4.165 4.340 0.026 0.000 0.264 675 Q C 0.543 176.524 176.000 -0.030 0.000 1.085 675 Q CA 1.442 57.212 55.803 -0.055 0.000 1.006 675 Q CB -2.565 26.135 28.738 -0.063 0.000 1.437 675 Q HN 0.742 nan 8.270 nan 0.000 0.514 676 G N -0.201 108.587 108.800 -0.019 0.000 2.788 676 G HA2 0.645 4.620 3.960 0.026 0.000 0.293 676 G HA3 0.645 4.620 3.960 0.026 0.000 0.293 676 G C -0.804 174.099 174.900 0.005 0.000 1.305 676 G CA -0.789 44.307 45.100 -0.007 0.000 1.005 676 G HN -0.016 nan 8.290 nan 0.000 0.496 677 K N -0.905 119.500 120.400 0.009 0.000 2.238 677 K HA 0.646 4.982 4.320 0.026 0.000 0.239 677 K C -0.581 176.030 176.600 0.020 0.000 0.987 677 K CA -0.554 55.741 56.287 0.013 0.000 0.857 677 K CB 2.019 34.525 32.500 0.010 0.000 1.154 677 K HN 0.584 nan 8.250 nan 0.000 0.439 678 Q N 1.646 121.458 119.800 0.021 0.000 2.352 678 Q HA 0.366 4.721 4.340 0.026 0.000 0.270 678 Q C -1.955 174.059 176.000 0.023 0.000 1.006 678 Q CA -0.540 55.278 55.803 0.026 0.000 0.880 678 Q CB 1.168 29.924 28.738 0.031 0.000 1.392 678 Q HN 0.468 nan 8.270 nan 0.000 0.401 679 L N 4.929 126.163 121.223 0.019 0.000 2.296 679 L HA 0.588 4.944 4.340 0.026 0.000 0.286 679 L C -0.649 176.224 176.870 0.005 0.000 1.023 679 L CA -0.631 54.214 54.840 0.008 0.000 0.812 679 L CB 1.394 43.452 42.059 -0.002 0.000 1.223 679 L HN 0.646 nan 8.230 nan 0.000 0.421 680 I N 3.313 123.880 120.570 -0.005 0.000 2.495 680 I HA 0.228 4.413 4.170 0.026 0.000 0.277 680 I C -0.131 175.939 176.117 -0.079 0.000 1.045 680 I CA -0.250 61.038 61.300 -0.020 0.000 1.135 680 I CB 1.538 39.550 38.000 0.019 0.000 1.241 680 I HN 0.608 nan 8.210 nan 0.000 0.469 681 E N 6.543 126.693 120.200 -0.083 0.000 2.229 681 E HA 0.419 4.785 4.350 0.026 0.000 0.283 681 E C -0.781 175.716 176.600 -0.172 0.000 1.030 681 E CA -0.608 55.720 56.400 -0.121 0.000 0.836 681 E CB 1.186 30.835 29.700 -0.085 0.000 1.068 681 E HN 0.496 nan 8.360 nan 0.000 0.401 682 L N 6.137 127.202 121.223 -0.264 0.000 2.418 682 L HA 0.322 4.678 4.340 0.026 0.000 0.265 682 L C -1.824 174.893 176.870 -0.255 0.000 1.143 682 L CA -1.923 52.674 54.840 -0.405 0.000 0.809 682 L CB 0.280 41.991 42.059 -0.580 0.000 1.124 682 L HN 0.463 nan 8.230 nan 0.000 0.456 683 P HA -0.025 nan 4.420 nan 0.000 0.271 683 P C -0.578 176.668 177.300 -0.089 0.000 1.244 683 P CA -0.443 62.604 63.100 -0.088 0.000 0.793 683 P CB 0.382 32.091 31.700 0.016 0.000 0.984 684 E N 0.274 120.450 120.200 -0.039 0.000 2.529 684 E HA -0.008 4.357 4.350 0.026 0.000 0.259 684 E C -0.464 176.122 176.600 -0.023 0.000 0.966 684 E CA -0.009 56.371 56.400 -0.034 0.000 0.937 684 E CB 0.001 29.694 29.700 -0.013 0.000 0.923 684 E HN 0.316 nan 8.360 nan 0.000 0.468 685 L N 7.810 129.011 121.223 -0.037 0.000 2.283 685 L HA 0.232 4.587 4.340 0.026 0.000 0.287 685 L C -1.852 175.027 176.870 0.015 0.000 1.073 685 L CA -2.097 52.733 54.840 -0.015 0.000 0.822 685 L CB 0.628 42.660 42.059 -0.045 0.000 1.186 685 L HN 0.465 nan 8.230 nan 0.000 0.436 686 P HA -0.002 nan 4.420 nan 0.000 0.260 686 P C -1.459 175.863 177.300 0.037 0.000 1.185 686 P CA -0.069 63.058 63.100 0.045 0.000 0.763 686 P CB 0.388 32.128 31.700 0.067 0.000 0.776 687 Q N 3.865 123.679 119.800 0.023 0.000 2.310 687 Q HA 0.724 5.079 4.340 0.026 0.000 0.270 687 Q C -2.433 173.578 176.000 0.018 0.000 1.025 687 Q CA -1.573 54.241 55.803 0.018 0.000 0.772 687 Q CB 1.114 29.855 28.738 0.005 0.000 1.253 687 Q HN 0.308 nan 8.270 nan 0.000 0.450 688 P HA 0.423 nan 4.420 nan 0.000 0.304 688 P C -0.298 177.014 177.300 0.020 0.000 1.310 688 P CA -0.633 62.481 63.100 0.023 0.000 0.796 688 P CB 1.492 33.211 31.700 0.031 0.000 1.297 689 E N -0.631 119.582 120.200 0.021 0.000 2.132 689 E HA 0.058 4.423 4.350 0.026 0.000 0.193 689 E C 0.421 177.035 176.600 0.024 0.000 0.951 689 E CA 0.416 56.828 56.400 0.019 0.000 0.843 689 E CB -0.608 29.102 29.700 0.018 0.000 0.807 689 E HN 0.420 nan 8.360 nan 0.000 0.467 690 S N 1.880 117.597 115.700 0.028 0.000 2.536 690 S HA 0.091 4.576 4.470 0.026 0.000 0.294 690 S C 0.420 175.043 174.600 0.039 0.000 1.289 690 S CA 0.242 58.463 58.200 0.034 0.000 1.035 690 S CB 0.326 63.549 63.200 0.038 0.000 0.783 690 S HN 0.357 nan 8.310 nan 0.000 0.497 691 A N 1.285 124.132 122.820 0.045 0.000 2.271 691 A HA 0.836 5.171 4.320 0.026 0.000 0.288 691 A C 0.853 178.476 177.584 0.067 0.000 1.094 691 A CA 0.104 52.171 52.037 0.050 0.000 0.828 691 A CB 0.084 19.116 19.000 0.052 0.000 1.091 691 A HN 2.126 nan 8.150 nan 0.000 0.493 692 G N -0.736 108.108 108.800 0.072 0.000 2.392 692 G HA2 0.206 4.182 3.960 0.026 0.000 0.677 692 G HA3 0.206 4.182 3.960 0.026 0.000 0.677 692 G C -0.990 173.966 174.900 0.092 0.000 1.334 692 G CA -0.770 44.393 45.100 0.105 0.000 0.961 692 G HN 0.884 nan 8.290 nan 0.000 0.616 693 Q N -0.496 119.393 119.800 0.149 0.000 2.296 693 Q HA 0.530 4.885 4.340 0.026 0.000 0.257 693 Q C -0.131 175.952 176.000 0.137 0.000 0.942 693 Q CA -0.722 55.128 55.803 0.078 0.000 0.939 693 Q CB 1.563 30.369 28.738 0.113 0.000 1.198 693 Q HN 0.533 nan 8.270 nan 0.000 0.429 694 L N 4.351 125.551 121.223 -0.038 0.000 2.290 694 L HA 0.393 4.749 4.340 0.026 0.000 0.284 694 L C -1.616 175.200 176.870 -0.091 0.000 1.078 694 L CA 0.199 55.055 54.840 0.027 0.000 0.815 694 L CB 0.289 42.349 42.059 0.003 0.000 1.162 694 L HN 0.603 nan 8.230 nan 0.000 0.435 695 W N 5.607 126.952 121.300 0.075 0.000 2.839 695 W HA 0.525 5.201 4.660 0.025 0.000 0.334 695 W C -1.076 175.536 176.519 0.155 0.000 1.064 695 W CA -0.691 56.716 57.345 0.104 0.000 1.236 695 W CB 1.739 31.265 29.460 0.110 0.000 1.405 695 W HN 0.295 nan 8.180 nan 0.000 0.478 696 L N 3.385 124.894 121.223 0.477 0.000 2.295 696 L HA 0.799 5.155 4.340 0.026 0.000 0.285 696 L C -0.284 176.883 176.870 0.495 0.000 1.035 696 L CA 0.234 55.336 54.840 0.436 0.000 0.806 696 L CB 1.416 43.687 42.059 0.353 0.000 1.214 696 L HN 0.329 nan 8.230 nan 0.000 0.426 697 T N 4.620 119.413 114.554 0.398 0.000 2.876 697 T HA 0.718 5.083 4.350 0.026 0.000 0.289 697 T C -1.108 173.783 174.700 0.319 0.000 1.014 697 T CA -0.383 61.903 62.100 0.310 0.000 0.986 697 T CB 1.752 70.747 68.868 0.212 0.000 1.021 697 T HN 0.677 nan 8.240 nan 0.000 0.458 698 V N 1.360 121.412 119.914 0.230 0.000 2.841 698 V HA 0.866 5.002 4.120 0.026 0.000 0.310 698 V C -1.396 174.782 176.094 0.140 0.000 1.090 698 V CA -1.079 61.353 62.300 0.220 0.000 0.930 698 V CB 2.078 34.038 31.823 0.229 0.000 1.014 698 V HN 0.874 nan 8.190 nan 0.000 0.425 699 R N 2.973 123.602 120.500 0.214 0.000 2.621 699 R HA 0.775 5.130 4.340 0.026 0.000 0.284 699 R C -1.600 174.845 176.300 0.242 0.000 0.998 699 R CA -0.807 55.429 56.100 0.227 0.000 0.895 699 R CB 2.702 33.089 30.300 0.145 0.000 1.195 699 R HN 0.654 nan 8.270 nan 0.000 0.450 700 V N 3.537 123.619 119.914 0.282 0.000 2.383 700 V HA 0.306 4.441 4.120 0.026 0.000 0.275 700 V C -0.099 176.111 176.094 0.193 0.000 1.036 700 V CA -0.581 61.858 62.300 0.231 0.000 0.889 700 V CB 1.618 33.578 31.823 0.228 0.000 0.985 700 V HN 0.451 nan 8.190 nan 0.000 0.459 701 V N 4.866 124.865 119.914 0.143 0.000 2.547 701 V HA 0.408 4.544 4.120 0.026 0.000 0.299 701 V C -0.106 176.061 176.094 0.121 0.000 1.040 701 V CA -0.665 61.700 62.300 0.109 0.000 0.913 701 V CB 1.811 33.677 31.823 0.071 0.000 0.992 701 V HN 0.895 nan 8.190 nan 0.000 0.449 702 Q N 5.486 125.362 119.800 0.128 0.000 2.466 702 Q HA 0.312 4.667 4.340 0.026 0.000 0.242 702 Q C -1.717 174.325 176.000 0.070 0.000 1.046 702 Q CA -1.811 54.065 55.803 0.122 0.000 0.841 702 Q CB 1.759 30.599 28.738 0.170 0.000 1.193 702 Q HN 0.509 nan 8.270 nan 0.000 0.508 703 P HA -0.120 nan 4.420 nan 0.000 0.220 703 P C -0.560 176.746 177.300 0.010 0.000 1.152 703 P CA 0.958 64.077 63.100 0.031 0.000 0.812 703 P CB 0.486 32.206 31.700 0.034 0.000 0.792 704 N N -0.784 117.915 118.700 -0.001 0.000 2.472 704 N HA 0.484 5.239 4.740 0.026 0.000 0.289 704 N C -0.584 174.887 175.510 -0.065 0.000 1.156 704 N CA -0.790 52.245 53.050 -0.026 0.000 0.940 704 N CB 1.191 39.666 38.487 -0.021 0.000 1.200 704 N HN -0.069 nan 8.380 nan 0.000 0.511 705 A N 0.178 122.947 122.820 -0.085 0.000 2.304 705 A HA 0.533 4.868 4.320 0.026 0.000 0.301 705 A C 0.456 177.917 177.584 -0.205 0.000 1.132 705 A CA -0.400 51.547 52.037 -0.150 0.000 0.819 705 A CB 0.315 19.247 19.000 -0.114 0.000 1.094 705 A HN 0.683 nan 8.150 nan 0.000 0.492 706 T N -1.781 112.547 114.554 -0.376 0.000 2.864 706 T HA 0.614 4.980 4.350 0.026 0.000 0.276 706 T C 1.140 175.639 174.700 -0.336 0.000 1.006 706 T CA 0.168 62.005 62.100 -0.438 0.000 0.970 706 T CB 0.888 69.209 68.868 -0.911 0.000 1.420 706 T HN 1.147 nan 8.240 nan 0.000 0.601 707 A N -0.468 122.221 122.820 -0.218 0.000 2.072 707 A HA 0.180 4.515 4.320 0.026 0.000 0.216 707 A C 1.776 179.465 177.584 0.175 0.000 1.156 707 A CA 0.520 52.586 52.037 0.047 0.000 0.701 707 A CB -0.684 18.416 19.000 0.166 0.000 0.816 707 A HN 0.906 nan 8.150 nan 0.000 0.458 708 W N -0.339 121.031 121.300 0.117 0.000 3.008 708 W HA 0.397 5.073 4.660 0.027 0.000 0.355 708 W C 0.091 176.584 176.519 -0.044 0.000 1.095 708 W CA 0.469 57.843 57.345 0.049 0.000 1.738 708 W CB -1.168 28.313 29.460 0.036 0.000 1.091 708 W HN 0.378 nan 8.180 nan 0.000 0.574 709 S N 0.578 115.872 115.700 -0.677 0.000 2.570 709 S HA 0.470 4.955 4.470 0.026 0.000 0.286 709 S C -0.488 173.910 174.600 -0.336 0.000 1.099 709 S CA -0.539 57.291 58.200 -0.618 0.000 0.913 709 S CB 2.921 65.494 63.200 -1.046 0.000 1.085 709 S HN 0.025 nan 8.310 nan 0.000 0.480 710 E N 1.022 121.111 120.200 -0.185 0.000 2.318 710 E HA 0.518 4.884 4.350 0.026 0.000 0.265 710 E C 0.279 176.851 176.600 -0.045 0.000 1.069 710 E CA -0.545 55.810 56.400 -0.074 0.000 0.893 710 E CB 1.574 31.275 29.700 0.002 0.000 1.076 710 E HN 0.888 nan 8.360 nan 0.000 0.414 711 A N 0.278 123.081 122.820 -0.030 0.000 2.511 711 A HA 0.402 4.737 4.320 0.026 0.000 0.242 711 A C 1.075 178.674 177.584 0.025 0.000 1.069 711 A CA 0.746 52.776 52.037 -0.011 0.000 0.763 711 A CB -0.332 18.660 19.000 -0.013 0.000 1.001 711 A HN 0.759 nan 8.150 nan 0.000 0.498 712 G N 0.882 109.704 108.800 0.038 0.000 2.160 712 G HA2 -0.238 3.737 3.960 0.026 0.000 0.251 712 G HA3 -0.238 3.737 3.960 0.026 0.000 0.251 712 G C 0.143 175.090 174.900 0.079 0.000 1.008 712 G CA 0.701 45.828 45.100 0.044 0.000 0.724 712 G HN 1.680 nan 8.290 nan 0.000 0.514 713 H N 0.179 119.260 119.070 0.019 0.000 2.771 713 H HA 0.539 5.110 4.556 0.026 0.000 0.364 713 H C 0.711 176.110 175.328 0.118 0.000 1.133 713 H CA -0.121 55.964 56.048 0.061 0.000 1.423 713 H CB 0.366 30.158 29.762 0.050 0.000 1.425 713 H HN 0.197 nan 8.280 nan 0.000 0.606 714 I N 3.309 123.547 120.570 -0.554 0.000 2.412 714 I HA 0.063 4.249 4.170 0.026 0.000 0.296 714 I C 0.529 176.474 176.117 -0.286 0.000 0.987 714 I CA -0.094 61.063 61.300 -0.237 0.000 1.180 714 I CB 1.965 39.894 38.000 -0.117 0.000 1.340 714 I HN 0.813 nan 8.210 nan 0.000 0.455 715 S N 3.423 119.207 115.700 0.140 0.000 2.604 715 S HA 0.588 5.073 4.470 0.026 0.000 0.235 715 S C 0.252 175.102 174.600 0.417 0.000 1.043 715 S CA -0.225 58.176 58.200 0.335 0.000 0.997 715 S CB 0.991 64.491 63.200 0.500 0.000 0.956 715 S HN 0.741 nan 8.310 nan 0.000 0.535 716 A N 0.661 123.773 122.820 0.487 0.000 2.586 716 A HA 0.716 5.052 4.320 0.026 0.000 0.291 716 A C -1.957 175.957 177.584 0.550 0.000 1.062 716 A CA -0.733 51.561 52.037 0.429 0.000 0.666 716 A CB 0.368 19.686 19.000 0.530 0.000 1.281 716 A HN 1.050 nan 8.150 nan 0.000 0.421 717 W N -0.735 120.640 121.300 0.125 0.000 2.986 717 W HA 0.729 5.405 4.660 0.027 0.000 0.345 717 W C -1.406 174.954 176.519 -0.264 0.000 1.191 717 W CA -0.357 56.907 57.345 -0.135 0.000 1.170 717 W CB 0.781 30.174 29.460 -0.113 0.000 1.438 717 W HN 1.198 nan 8.180 nan 0.000 0.567 718 Q N 1.624 121.292 119.800 -0.220 0.000 2.594 718 Q HA 0.384 4.740 4.340 0.026 0.000 0.278 718 Q C -1.671 174.054 176.000 -0.459 0.000 0.961 718 Q CA -0.629 54.896 55.803 -0.463 0.000 0.844 718 Q CB 2.206 30.431 28.738 -0.854 0.000 1.475 718 Q HN 0.682 nan 8.270 nan 0.000 0.389 719 Q N 2.536 122.029 119.800 -0.511 0.000 2.456 719 Q HA 0.650 5.006 4.340 0.026 0.000 0.283 719 Q C -1.434 174.389 176.000 -0.294 0.000 1.084 719 Q CA -0.576 55.097 55.803 -0.215 0.000 0.801 719 Q CB 1.761 30.584 28.738 0.142 0.000 1.434 719 Q HN 0.662 nan 8.270 nan 0.000 0.419 720 W N 1.954 123.439 121.300 0.307 0.000 3.138 720 W HA 0.450 5.125 4.660 0.025 0.000 0.331 720 W C -0.274 176.213 176.519 -0.052 0.000 1.166 720 W CA -0.742 56.693 57.345 0.150 0.000 1.212 720 W CB 1.983 31.475 29.460 0.053 0.000 1.399 720 W HN 0.640 nan 8.180 nan 0.000 0.514 721 R N 2.229 122.537 120.500 -0.320 0.000 2.441 721 R HA 0.312 4.668 4.340 0.026 0.000 0.284 721 R C 0.484 176.549 176.300 -0.391 0.000 1.070 721 R CA 0.018 55.523 56.100 -0.991 0.000 1.047 721 R CB 0.886 30.340 30.300 -1.410 0.000 1.016 721 R HN 0.635 nan 8.270 nan 0.000 0.477 722 L N 1.860 122.882 121.223 -0.334 0.000 2.349 722 L HA 0.358 4.713 4.340 0.026 0.000 0.200 722 L C 0.558 177.326 176.870 -0.170 0.000 1.064 722 L CA 0.297 55.033 54.840 -0.172 0.000 0.821 722 L CB 0.217 42.221 42.059 -0.091 0.000 1.027 722 L HN 0.649 nan 8.230 nan 0.000 0.476 723 A N 0.079 122.784 122.820 -0.192 0.000 2.606 723 A HA 0.612 4.948 4.320 0.026 0.000 0.293 723 A C -1.487 176.016 177.584 -0.135 0.000 1.082 723 A CA -0.342 51.614 52.037 -0.134 0.000 0.685 723 A CB 2.063 21.017 19.000 -0.077 0.000 1.284 723 A HN 0.084 nan 8.150 nan 0.000 0.408 724 E N 0.868 121.013 120.200 -0.090 0.000 2.292 724 E HA 0.478 4.843 4.350 0.026 0.000 0.272 724 E C -1.614 174.972 176.600 -0.023 0.000 0.881 724 E CA -0.670 55.694 56.400 -0.059 0.000 0.754 724 E CB 1.319 30.979 29.700 -0.066 0.000 1.201 724 E HN 0.580 nan 8.360 nan 0.000 0.425 725 N N 5.191 123.891 118.700 -0.000 0.000 2.569 725 N HA 0.262 5.018 4.740 0.026 0.000 0.254 725 N C -0.569 174.955 175.510 0.024 0.000 1.004 725 N CA -0.380 52.676 53.050 0.011 0.000 0.904 725 N CB 1.194 39.692 38.487 0.018 0.000 1.165 725 N HN 0.496 nan 8.380 nan 0.000 0.513 726 L N 1.037 122.273 121.223 0.022 0.000 2.506 726 L HA 0.008 4.363 4.340 0.026 0.000 0.281 726 L C 1.384 178.275 176.870 0.036 0.000 1.228 726 L CA 0.190 55.049 54.840 0.032 0.000 0.850 726 L CB 0.258 42.334 42.059 0.028 0.000 1.110 726 L HN 0.432 nan 8.230 nan 0.000 0.496 727 S N 2.597 118.324 115.700 0.045 0.000 2.416 727 S HA 0.216 4.702 4.470 0.026 0.000 0.302 727 S C 0.393 175.015 174.600 0.037 0.000 1.120 727 S CA -0.907 57.319 58.200 0.044 0.000 1.067 727 S CB 0.710 63.942 63.200 0.054 0.000 1.057 727 S HN 0.487 nan 8.310 nan 0.000 0.518 728 V N 2.641 122.573 119.914 0.030 0.000 3.189 728 V HA 0.368 4.504 4.120 0.026 0.000 0.366 728 V C 0.457 176.564 176.094 0.023 0.000 1.313 728 V CA -0.003 62.312 62.300 0.025 0.000 1.302 728 V CB -1.385 30.450 31.823 0.020 0.000 1.260 728 V HN 0.897 nan 8.190 nan 0.000 0.484 729 T N 1.036 115.606 114.554 0.026 0.000 2.767 729 T HA 0.751 5.117 4.350 0.026 0.000 0.284 729 T C -0.541 174.171 174.700 0.019 0.000 0.973 729 T CA -0.708 61.405 62.100 0.022 0.000 0.996 729 T CB 1.507 70.390 68.868 0.025 0.000 0.927 729 T HN 0.383 nan 8.240 nan 0.000 0.456 730 L N 2.249 123.478 121.223 0.011 0.000 2.292 730 L HA 0.646 5.002 4.340 0.026 0.000 0.284 730 L C -1.935 174.931 176.870 -0.007 0.000 1.065 730 L CA -2.391 52.451 54.840 0.002 0.000 0.806 730 L CB -1.297 40.760 42.059 -0.003 0.000 1.175 730 L HN 0.422 nan 8.230 nan 0.000 0.431 731 P HA 0.010 nan 4.420 nan 0.000 0.272 731 P C -0.156 177.110 177.300 -0.056 0.000 1.210 731 P CA -0.057 63.025 63.100 -0.030 0.000 0.789 731 P CB 0.273 31.949 31.700 -0.041 0.000 0.849 732 A N 1.391 124.163 122.820 -0.078 0.000 3.077 732 A HA 0.464 4.800 4.320 0.026 0.000 0.255 732 A C 0.889 178.226 177.584 -0.412 0.000 1.728 732 A CA 0.163 52.125 52.037 -0.126 0.000 1.383 732 A CB -1.633 17.365 19.000 -0.004 0.000 1.097 732 A HN 0.811 nan 8.150 nan 0.000 0.634 733 A N 1.248 123.902 122.820 -0.277 0.000 1.592 733 A HA -0.015 4.321 4.320 0.026 0.000 0.235 733 A C 0.896 178.194 177.584 -0.477 0.000 1.158 733 A CA 0.801 52.667 52.037 -0.284 0.000 0.820 733 A CB -1.983 16.918 19.000 -0.165 0.000 1.142 733 A HN 1.675 nan 8.150 nan 0.000 0.258 734 S N 2.302 117.826 115.700 -0.294 0.000 4.045 734 S HA -0.110 4.375 4.470 0.026 0.000 0.485 734 S C 1.051 175.573 174.600 -0.129 0.000 1.097 734 S CA 1.058 59.148 58.200 -0.184 0.000 0.930 734 S CB -0.196 62.952 63.200 -0.086 0.000 0.685 734 S HN 0.973 nan 8.310 nan 0.000 0.484 735 H N 1.223 120.295 119.070 0.003 0.000 2.482 735 H HA 0.491 5.063 4.556 0.026 0.000 0.286 735 H C 1.120 176.449 175.328 0.003 0.000 1.017 735 H CA 0.696 56.747 56.048 0.004 0.000 1.322 735 H CB -0.510 29.256 29.762 0.008 0.000 1.426 735 H HN 0.673 nan 8.280 nan 0.000 0.546 736 A N 1.234 124.121 122.820 0.113 0.000 3.068 736 A HA 0.681 5.017 4.320 0.026 0.000 0.229 736 A C -0.492 177.085 177.584 -0.011 0.000 1.561 736 A CA -0.109 51.962 52.037 0.055 0.000 0.876 736 A CB 0.365 19.401 19.000 0.060 0.000 1.700 736 A HN 0.378 nan 8.150 nan 0.000 0.535 737 I N -2.928 117.580 120.570 -0.103 0.000 2.637 737 I HA 0.476 4.661 4.170 0.026 0.000 0.285 737 I C -3.003 172.831 176.117 -0.471 0.000 1.222 737 I CA -1.896 59.284 61.300 -0.200 0.000 1.067 737 I CB 1.916 39.833 38.000 -0.137 0.000 1.279 737 I HN 0.293 nan 8.210 nan 0.000 0.441 738 P HA 0.034 nan 4.420 nan 0.000 0.263 738 P C -0.944 176.153 177.300 -0.339 0.000 1.168 738 P CA 0.641 63.592 63.100 -0.250 0.000 0.759 738 P CB 0.028 31.672 31.700 -0.093 0.000 0.782 739 H N 1.287 120.401 119.070 0.074 0.000 2.467 739 H HA 0.544 5.116 4.556 0.026 0.000 0.331 739 H C -0.096 175.266 175.328 0.056 0.000 1.120 739 H CA -0.832 55.245 56.048 0.049 0.000 1.270 739 H CB 0.981 30.769 29.762 0.043 0.000 1.466 739 H HN 0.310 nan 8.280 nan 0.000 0.504 740 L N 2.151 123.456 121.223 0.137 0.000 2.319 740 L HA 0.386 4.741 4.340 0.026 0.000 0.281 740 L C -0.621 176.318 176.870 0.114 0.000 1.005 740 L CA -0.137 54.761 54.840 0.097 0.000 0.828 740 L CB 1.484 43.550 42.059 0.012 0.000 1.227 740 L HN 0.597 nan 8.230 nan 0.000 0.415 741 T N 4.066 118.701 114.554 0.135 0.000 2.910 741 T HA 0.306 4.672 4.350 0.026 0.000 0.323 741 T C 0.422 175.213 174.700 0.151 0.000 1.091 741 T CA -0.261 61.908 62.100 0.116 0.000 0.960 741 T CB 0.018 68.933 68.868 0.079 0.000 1.024 741 T HN 0.803 nan 8.240 nan 0.000 0.509 742 T N 2.429 117.081 114.554 0.163 0.000 2.589 742 T HA 0.408 4.773 4.350 0.026 0.000 0.342 742 T C 0.664 175.392 174.700 0.047 0.000 1.044 742 T CA -0.519 61.693 62.100 0.186 0.000 1.020 742 T CB 0.366 69.341 68.868 0.179 0.000 1.070 742 T HN 0.730 nan 8.240 nan 0.000 0.524 743 S N -0.683 114.992 115.700 -0.042 0.000 2.664 743 S HA 0.070 4.555 4.470 0.026 0.000 0.271 743 S C -0.205 174.306 174.600 -0.150 0.000 0.950 743 S CA 0.106 58.261 58.200 -0.075 0.000 1.008 743 S CB -0.287 62.878 63.200 -0.058 0.000 1.279 743 S HN 0.851 nan 8.310 nan 0.000 0.462 744 E N 0.511 120.645 120.200 -0.111 0.000 2.452 744 E HA 0.326 4.692 4.350 0.026 0.000 0.197 744 E C 1.249 177.763 176.600 -0.145 0.000 1.022 744 E CA 0.083 56.402 56.400 -0.135 0.000 0.890 744 E CB -0.085 29.561 29.700 -0.091 0.000 0.918 744 E HN 0.350 nan 8.360 nan 0.000 0.496 745 M N 1.505 121.037 119.600 -0.113 0.000 2.595 745 M HA 0.197 4.692 4.480 0.026 0.000 0.248 745 M C -0.893 175.354 176.300 -0.087 0.000 1.119 745 M CA 0.273 55.527 55.300 -0.076 0.000 1.079 745 M CB -0.865 31.719 32.600 -0.028 0.000 1.472 745 M HN 0.289 nan 8.290 nan 0.000 0.501 746 D N -2.829 117.454 120.400 -0.194 0.000 2.959 746 D HA 0.134 4.790 4.640 0.026 0.000 0.325 746 D C -1.176 174.911 176.300 -0.355 0.000 1.351 746 D CA -0.692 53.202 54.000 -0.178 0.000 0.734 746 D CB 0.094 40.926 40.800 0.054 0.000 1.303 746 D HN -0.073 nan 8.370 nan 0.000 0.450 747 F N -0.510 119.521 119.950 0.134 0.000 2.529 747 F HA 0.606 5.149 4.527 0.026 0.000 0.320 747 F C -0.439 175.453 175.800 0.153 0.000 1.118 747 F CA -0.840 57.207 58.000 0.078 0.000 0.915 747 F CB 2.088 41.071 39.000 -0.029 0.000 1.161 747 F HN 0.425 nan 8.300 nan 0.000 0.445 748 C N 4.529 124.018 119.300 0.315 0.000 2.322 748 C HA 0.692 5.168 4.460 0.026 0.000 0.324 748 C C -0.162 174.986 174.990 0.264 0.000 1.284 748 C CA -0.847 58.344 59.018 0.289 0.000 1.606 748 C CB 0.228 28.079 27.740 0.184 0.000 2.251 748 C HN 0.522 nan 8.230 nan 0.000 0.502 749 I N 4.670 125.453 120.570 0.356 0.000 2.377 749 I HA 0.462 4.647 4.170 0.026 0.000 0.293 749 I C 0.111 176.509 176.117 0.468 0.000 0.987 749 I CA 0.290 61.800 61.300 0.350 0.000 1.185 749 I CB 1.074 39.247 38.000 0.288 0.000 1.341 749 I HN 0.669 nan 8.210 nan 0.000 0.455 750 E N 8.084 128.497 120.200 0.354 0.000 2.367 750 E HA 0.760 5.125 4.350 0.026 0.000 0.273 750 E C -1.542 175.257 176.600 0.333 0.000 0.903 750 E CA -0.972 55.615 56.400 0.311 0.000 0.764 750 E CB 2.866 32.646 29.700 0.134 0.000 1.252 750 E HN 0.638 nan 8.360 nan 0.000 0.446 751 L N 0.810 122.201 121.223 0.279 0.000 2.787 751 L HA 0.513 4.868 4.340 0.026 0.000 0.260 751 L C 0.132 177.089 176.870 0.145 0.000 0.921 751 L CA 0.569 55.554 54.840 0.242 0.000 0.984 751 L CB 1.086 43.287 42.059 0.238 0.000 1.519 751 L HN 0.994 nan 8.230 nan 0.000 0.452 752 G N 4.340 113.212 108.800 0.119 0.000 2.566 752 G HA2 -0.386 3.589 3.960 0.026 0.000 0.280 752 G HA3 -0.386 3.589 3.960 0.026 0.000 0.280 752 G C 0.462 175.364 174.900 0.005 0.000 1.225 752 G CA 0.598 45.732 45.100 0.056 0.000 0.966 752 G HN 1.361 nan 8.290 nan 0.000 0.560 753 N N 0.716 119.398 118.700 -0.031 0.000 2.446 753 N HA 0.015 4.771 4.740 0.026 0.000 0.179 753 N C 0.738 176.182 175.510 -0.110 0.000 1.054 753 N CA 1.174 54.187 53.050 -0.062 0.000 0.905 753 N CB -0.063 38.392 38.487 -0.053 0.000 0.973 753 N HN 0.770 nan 8.380 nan 0.000 0.448 754 K N 0.805 121.100 120.400 -0.174 0.000 2.412 754 K HA 0.170 4.506 4.320 0.026 0.000 0.281 754 K C -0.002 176.299 176.600 -0.499 0.000 1.027 754 K CA 0.002 56.032 56.287 -0.427 0.000 0.989 754 K CB 0.955 33.073 32.500 -0.637 0.000 0.935 754 K HN 0.130 nan 8.250 nan 0.000 0.475 755 R N 3.058 123.242 120.500 -0.527 0.000 2.584 755 R HA 0.271 4.627 4.340 0.026 0.000 0.276 755 R C -1.690 174.524 176.300 -0.144 0.000 1.046 755 R CA -0.633 55.335 56.100 -0.220 0.000 0.906 755 R CB 1.188 31.462 30.300 -0.042 0.000 1.215 755 R HN 0.604 nan 8.270 nan 0.000 0.449 756 W N 4.052 125.515 121.300 0.272 0.000 2.471 756 W HA 0.334 5.010 4.660 0.026 0.000 0.318 756 W C -0.488 176.244 176.519 0.356 0.000 1.034 756 W CA -0.603 56.885 57.345 0.237 0.000 1.224 756 W CB 1.916 31.530 29.460 0.257 0.000 1.335 756 W HN 0.438 nan 8.180 nan 0.000 0.452 757 Q N 3.059 123.118 119.800 0.432 0.000 2.341 757 Q HA 0.339 4.694 4.340 0.026 0.000 0.268 757 Q C -1.649 174.466 176.000 0.192 0.000 1.013 757 Q CA -0.608 55.449 55.803 0.422 0.000 0.798 757 Q CB 1.236 30.239 28.738 0.443 0.000 1.253 757 Q HN 0.280 nan 8.270 nan 0.000 0.457 758 F N 3.248 123.302 119.950 0.173 0.000 2.334 758 F HA 0.242 4.784 4.527 0.026 0.000 0.367 758 F C 0.734 176.607 175.800 0.120 0.000 1.115 758 F CA -1.011 57.069 58.000 0.135 0.000 1.116 758 F CB 0.652 39.754 39.000 0.169 0.000 1.230 758 F HN 0.442 nan 8.300 nan 0.000 0.484 759 N N 3.822 122.639 118.700 0.195 0.000 2.440 759 N HA -0.042 4.713 4.740 0.026 0.000 0.265 759 N C 1.237 176.819 175.510 0.120 0.000 1.239 759 N CA 0.099 53.227 53.050 0.130 0.000 0.909 759 N CB 0.693 39.251 38.487 0.118 0.000 1.066 759 N HN 0.689 nan 8.380 nan 0.000 0.474 760 R N 2.710 123.209 120.500 -0.002 0.000 2.276 760 R HA -0.050 4.306 4.340 0.026 0.000 0.203 760 R C 0.866 177.157 176.300 -0.014 0.000 1.017 760 R CA 0.833 56.904 56.100 -0.048 0.000 1.010 760 R CB -0.042 30.076 30.300 -0.302 0.000 0.900 760 R HN 0.569 nan 8.270 nan 0.000 0.469 761 Q N 1.222 121.023 119.800 0.003 0.000 2.250 761 Q HA -0.001 4.355 4.340 0.026 0.000 0.200 761 Q C 2.117 178.137 176.000 0.032 0.000 0.941 761 Q CA 1.449 57.257 55.803 0.009 0.000 0.872 761 Q CB 0.277 29.022 28.738 0.012 0.000 0.965 761 Q HN 0.425 nan 8.270 nan 0.000 0.480 762 S N -0.690 115.061 115.700 0.085 0.000 2.421 762 S HA 0.211 4.697 4.470 0.026 0.000 0.224 762 S C 1.750 176.377 174.600 0.045 0.000 1.035 762 S CA 0.668 58.959 58.200 0.153 0.000 0.953 762 S CB 0.066 63.463 63.200 0.328 0.000 0.810 762 S HN 0.517 nan 8.310 nan 0.000 0.497 763 G N 0.158 108.980 108.800 0.037 0.000 2.176 763 G HA2 -0.186 3.790 3.960 0.026 0.000 0.232 763 G HA3 -0.186 3.790 3.960 0.026 0.000 0.232 763 G C -0.022 174.838 174.900 -0.066 0.000 0.986 763 G CA 0.117 45.221 45.100 0.008 0.000 0.643 763 G HN 0.518 nan 8.290 nan 0.000 0.522 764 F N -0.445 119.646 119.950 0.234 0.000 2.408 764 F HA 0.686 5.228 4.527 0.026 0.000 0.325 764 F C 0.702 176.447 175.800 -0.093 0.000 1.082 764 F CA -1.029 57.034 58.000 0.105 0.000 1.032 764 F CB 1.318 40.367 39.000 0.083 0.000 1.259 764 F HN 0.059 nan 8.300 nan 0.000 0.503 765 L N 1.678 122.866 121.223 -0.059 0.000 2.334 765 L HA 0.226 4.581 4.340 0.026 0.000 0.286 765 L C 1.027 177.780 176.870 -0.194 0.000 1.108 765 L CA 0.103 54.625 54.840 -0.530 0.000 0.875 765 L CB 0.385 41.980 42.059 -0.773 0.000 1.246 765 L HN 0.715 nan 8.230 nan 0.000 0.439 766 S N 2.687 118.313 115.700 -0.123 0.000 2.406 766 S HA 0.020 4.505 4.470 0.026 0.000 0.228 766 S C 0.672 175.182 174.600 -0.150 0.000 1.020 766 S CA 0.646 58.809 58.200 -0.062 0.000 0.965 766 S CB -0.167 63.039 63.200 0.011 0.000 0.798 766 S HN 0.760 nan 8.310 nan 0.000 0.488 767 Q N -0.465 119.206 119.800 -0.216 0.000 2.647 767 Q HA 0.636 4.992 4.340 0.026 0.000 0.283 767 Q C -1.657 174.035 176.000 -0.512 0.000 0.943 767 Q CA -0.567 54.985 55.803 -0.419 0.000 0.813 767 Q CB 1.529 29.938 28.738 -0.549 0.000 1.477 767 Q HN 0.493 nan 8.270 nan 0.000 0.393 768 M N 1.519 120.685 119.600 -0.722 0.000 2.421 768 M HA 0.754 5.249 4.480 0.026 0.000 0.287 768 M C -2.107 173.790 176.300 -0.672 0.000 1.183 768 M CA -0.165 54.788 55.300 -0.578 0.000 0.916 768 M CB 1.869 34.196 32.600 -0.455 0.000 1.701 768 M HN 0.541 nan 8.290 nan 0.000 0.470 769 W N 4.710 125.812 121.300 -0.329 0.000 2.632 769 W HA 0.579 5.255 4.660 0.026 0.000 0.328 769 W C -1.328 174.993 176.519 -0.330 0.000 1.044 769 W CA -0.817 56.369 57.345 -0.265 0.000 1.225 769 W CB 1.771 31.109 29.460 -0.204 0.000 1.396 769 W HN 0.569 nan 8.180 nan 0.000 0.499 770 I N 3.492 124.053 120.570 -0.015 0.000 2.503 770 I HA 0.355 4.540 4.170 0.026 0.000 0.277 770 I C 0.769 176.874 176.117 -0.021 0.000 1.078 770 I CA 0.469 61.720 61.300 -0.081 0.000 1.184 770 I CB 0.417 38.351 38.000 -0.110 0.000 1.353 770 I HN 0.748 nan 8.210 nan 0.000 0.490 771 G N 4.905 113.694 108.800 -0.018 0.000 2.848 771 G HA2 -0.279 3.696 3.960 0.026 0.000 0.246 771 G HA3 -0.279 3.696 3.960 0.026 0.000 0.246 771 G C 0.196 175.110 174.900 0.022 0.000 1.374 771 G CA 0.320 45.412 45.100 -0.012 0.000 0.982 771 G HN 0.546 nan 8.290 nan 0.000 0.563 772 D N 1.216 121.652 120.400 0.060 0.000 2.441 772 D HA 0.252 4.907 4.640 0.026 0.000 0.210 772 D C 0.733 177.195 176.300 0.270 0.000 1.102 772 D CA 0.411 54.468 54.000 0.095 0.000 0.840 772 D CB 0.119 40.935 40.800 0.026 0.000 0.990 772 D HN 0.706 nan 8.370 nan 0.000 0.505 773 K N 0.643 121.170 120.400 0.212 0.000 2.218 773 K HA 0.459 4.795 4.320 0.026 0.000 0.276 773 K C -0.159 176.427 176.600 -0.024 0.000 1.022 773 K CA -0.485 55.866 56.287 0.108 0.000 0.946 773 K CB 1.383 33.892 32.500 0.015 0.000 1.000 773 K HN -0.233 nan 8.250 nan 0.000 0.468 774 K N 1.508 121.790 120.400 -0.198 0.000 2.110 774 K HA 0.132 4.468 4.320 0.026 0.000 0.263 774 K C 0.552 176.978 176.600 -0.290 0.000 0.975 774 K CA -0.444 55.552 56.287 -0.484 0.000 0.895 774 K CB 1.253 33.504 32.500 -0.415 0.000 1.060 774 K HN 0.477 nan 8.250 nan 0.000 0.448 775 Q N 1.166 120.776 119.800 -0.317 0.000 2.402 775 Q HA 0.212 4.568 4.340 0.026 0.000 0.231 775 Q C 0.147 176.066 176.000 -0.136 0.000 0.888 775 Q CA 0.450 56.167 55.803 -0.144 0.000 0.938 775 Q CB 0.403 29.116 28.738 -0.041 0.000 1.086 775 Q HN 0.454 nan 8.270 nan 0.000 0.543 776 L N 0.734 121.829 121.223 -0.215 0.000 2.352 776 L HA 0.414 4.770 4.340 0.026 0.000 0.269 776 L C 1.083 177.829 176.870 -0.207 0.000 1.034 776 L CA -0.439 54.290 54.840 -0.186 0.000 0.806 776 L CB 0.954 42.909 42.059 -0.172 0.000 1.244 776 L HN -0.064 nan 8.230 nan 0.000 0.447 777 L N -0.817 120.275 121.223 -0.220 0.000 2.749 777 L HA 0.302 4.657 4.340 0.026 0.000 0.242 777 L C 0.255 177.015 176.870 -0.183 0.000 1.103 777 L CA 0.394 55.114 54.840 -0.200 0.000 0.906 777 L CB 0.859 42.789 42.059 -0.216 0.000 1.228 777 L HN 0.614 nan 8.230 nan 0.000 0.517 778 T N 0.912 115.336 114.554 -0.217 0.000 2.903 778 T HA 0.469 4.834 4.350 0.026 0.000 0.299 778 T C -2.691 171.932 174.700 -0.128 0.000 1.093 778 T CA -1.101 60.901 62.100 -0.163 0.000 1.002 778 T CB 2.928 71.666 68.868 -0.217 0.000 1.127 778 T HN -0.214 nan 8.240 nan 0.000 0.488 779 P HA 0.294 nan 4.420 nan 0.000 0.278 779 P C -0.632 176.626 177.300 -0.069 0.000 1.238 779 P CA -0.768 62.290 63.100 -0.070 0.000 0.794 779 P CB 0.408 32.083 31.700 -0.041 0.000 0.955 780 L N 4.158 125.389 121.223 0.014 0.000 2.530 780 L HA 0.155 4.510 4.340 0.026 0.000 0.273 780 L C 0.383 177.261 176.870 0.013 0.000 1.141 780 L CA 0.660 55.550 54.840 0.085 0.000 0.905 780 L CB -0.698 41.500 42.059 0.232 0.000 1.202 780 L HN 0.409 nan 8.230 nan 0.000 0.473 781 R N 1.834 122.271 120.500 -0.105 0.000 2.808 781 R HA 0.611 4.966 4.340 0.026 0.000 0.272 781 R C -0.928 175.309 176.300 -0.106 0.000 0.995 781 R CA -0.974 54.969 56.100 -0.262 0.000 0.917 781 R CB 0.595 30.151 30.300 -1.241 0.000 1.217 781 R HN 0.447 nan 8.270 nan 0.000 0.471 782 D N 1.139 121.559 120.400 0.033 0.000 2.525 782 D HA -0.034 4.621 4.640 0.026 0.000 0.235 782 D C -0.678 175.305 176.300 -0.529 0.000 1.137 782 D CA 1.024 54.888 54.000 -0.226 0.000 0.868 782 D CB 0.658 41.409 40.800 -0.081 0.000 1.180 782 D HN 0.387 nan 8.370 nan 0.000 0.465 783 Q N 2.456 121.723 119.800 -0.887 0.000 2.275 783 Q HA 0.285 4.640 4.340 0.026 0.000 0.266 783 Q C -1.156 174.185 176.000 -1.100 0.000 1.002 783 Q CA -0.584 54.742 55.803 -0.796 0.000 0.761 783 Q CB 0.679 29.181 28.738 -0.393 0.000 1.255 783 Q HN 0.571 nan 8.270 nan 0.000 0.446 784 F N 0.890 120.494 119.950 -0.577 0.000 2.706 784 F HA 0.185 4.728 4.527 0.026 0.000 0.313 784 F C 0.800 176.188 175.800 -0.687 0.000 1.096 784 F CA -0.177 57.377 58.000 -0.743 0.000 1.219 784 F CB 1.460 39.762 39.000 -1.163 0.000 1.051 784 F HN 0.436 nan 8.300 nan 0.000 0.568 785 T N -0.693 113.596 114.554 -0.442 0.000 2.883 785 T HA 0.788 5.154 4.350 0.026 0.000 0.284 785 T C -0.583 173.866 174.700 -0.418 0.000 1.041 785 T CA -0.972 60.766 62.100 -0.604 0.000 1.007 785 T CB 2.579 70.971 68.868 -0.794 0.000 1.220 785 T HN 0.247 nan 8.240 nan 0.000 0.552 786 R N -0.633 119.659 120.500 -0.348 0.000 2.604 786 R HA 0.703 5.059 4.340 0.026 0.000 0.270 786 R C -1.064 175.296 176.300 0.099 0.000 1.052 786 R CA -1.105 54.931 56.100 -0.106 0.000 0.902 786 R CB 1.340 31.568 30.300 -0.120 0.000 1.233 786 R HN 0.855 nan 8.270 nan 0.000 0.455 787 A N 4.557 127.418 122.820 0.067 0.000 2.500 787 A HA 0.255 4.590 4.320 0.026 0.000 0.285 787 A C -1.866 175.780 177.584 0.103 0.000 1.183 787 A CA -1.112 50.964 52.037 0.066 0.000 0.851 787 A CB -0.705 18.276 19.000 -0.033 0.000 1.091 787 A HN 0.591 nan 8.150 nan 0.000 0.521 788 P HA -0.018 nan 4.420 nan 0.000 0.266 788 P C -0.400 177.005 177.300 0.175 0.000 1.162 788 P CA 0.771 64.038 63.100 0.279 0.000 0.758 788 P CB 0.151 32.038 31.700 0.311 0.000 0.774 789 L N 1.390 122.689 121.223 0.127 0.000 2.397 789 L HA 0.445 4.801 4.340 0.026 0.000 0.266 789 L C 1.748 178.661 176.870 0.071 0.000 1.040 789 L CA -0.744 54.124 54.840 0.047 0.000 0.800 789 L CB -0.085 41.907 42.059 -0.113 0.000 1.324 789 L HN 0.150 nan 8.230 nan 0.000 0.469 790 D N 0.121 120.519 120.400 -0.004 0.000 2.190 790 D HA -0.166 4.489 4.640 0.026 0.000 0.200 790 D C 1.516 177.761 176.300 -0.092 0.000 0.992 790 D CA 1.412 55.336 54.000 -0.127 0.000 0.854 790 D CB 0.002 40.650 40.800 -0.254 0.000 0.936 790 D HN 0.515 nan 8.370 nan 0.000 0.462 791 N N 0.856 119.520 118.700 -0.059 0.000 2.250 791 N HA -0.087 4.668 4.740 0.026 0.000 0.181 791 N C 1.132 176.669 175.510 0.045 0.000 1.017 791 N CA 0.653 53.694 53.050 -0.015 0.000 0.866 791 N CB -0.139 38.330 38.487 -0.029 0.000 0.985 791 N HN 0.290 nan 8.380 nan 0.000 0.429 792 D N 0.397 120.837 120.400 0.067 0.000 2.312 792 D HA 0.001 4.656 4.640 0.026 0.000 0.211 792 D C 1.771 178.128 176.300 0.094 0.000 0.964 792 D CA 0.467 54.534 54.000 0.113 0.000 0.877 792 D CB 0.306 41.225 40.800 0.198 0.000 0.924 792 D HN 0.360 nan 8.370 nan 0.000 0.515 793 I N 0.290 120.901 120.570 0.068 0.000 2.556 793 I HA 0.100 4.286 4.170 0.026 0.000 0.251 793 I C 1.736 177.881 176.117 0.048 0.000 1.105 793 I CA 0.601 61.929 61.300 0.048 0.000 1.436 793 I CB -0.282 37.725 38.000 0.011 0.000 1.139 793 I HN 0.030 nan 8.210 nan 0.000 0.438 794 G N 1.268 110.104 108.800 0.060 0.000 2.564 794 G HA2 -0.299 3.676 3.960 0.026 0.000 0.273 794 G HA3 -0.299 3.676 3.960 0.026 0.000 0.273 794 G C 0.688 175.741 174.900 0.255 0.000 1.242 794 G CA 0.544 45.743 45.100 0.164 0.000 0.951 794 G HN 0.442 nan 8.290 nan 0.000 0.564 795 V N -1.378 118.683 119.914 0.245 0.000 3.461 795 V HA 0.389 4.525 4.120 0.026 0.000 0.267 795 V C 1.734 177.874 176.094 0.077 0.000 1.186 795 V CA 1.514 63.915 62.300 0.169 0.000 1.154 795 V CB -0.492 31.329 31.823 -0.004 0.000 0.802 795 V HN 1.558 nan 8.190 nan 0.000 0.474 796 S N 0.706 116.439 115.700 0.056 0.000 2.553 796 S HA 0.064 4.549 4.470 0.026 0.000 0.293 796 S C -0.050 174.567 174.600 0.029 0.000 1.296 796 S CA 0.308 58.523 58.200 0.025 0.000 1.046 796 S CB 0.383 63.594 63.200 0.019 0.000 0.810 796 S HN 0.798 nan 8.310 nan 0.000 0.505 797 E N 1.161 121.371 120.200 0.017 0.000 2.423 797 E HA 0.687 5.052 4.350 0.026 0.000 0.269 797 E C 0.379 176.992 176.600 0.023 0.000 0.948 797 E CA -0.188 56.225 56.400 0.022 0.000 0.802 797 E CB 1.333 31.042 29.700 0.015 0.000 1.339 797 E HN 0.571 nan 8.360 nan 0.000 0.445 798 A N 0.013 122.851 122.820 0.031 0.000 2.119 798 A HA -0.043 4.293 4.320 0.026 0.000 0.217 798 A C 1.514 179.113 177.584 0.024 0.000 1.153 798 A CA 1.765 53.821 52.037 0.032 0.000 0.692 798 A CB -0.321 18.704 19.000 0.041 0.000 0.799 798 A HN 0.544 nan 8.150 nan 0.000 0.458 799 T N -1.255 113.310 114.554 0.019 0.000 2.914 799 T HA 0.123 4.488 4.350 0.026 0.000 0.240 799 T C 1.104 175.805 174.700 0.002 0.000 1.025 799 T CA 0.329 62.436 62.100 0.011 0.000 1.198 799 T CB 0.009 68.882 68.868 0.009 0.000 0.892 799 T HN 0.285 nan 8.240 nan 0.000 0.417 800 R N 1.337 121.834 120.500 -0.005 0.000 2.755 800 R HA 0.384 4.740 4.340 0.026 0.000 0.268 800 R C -1.109 175.183 176.300 -0.012 0.000 1.295 800 R CA -0.359 55.732 56.100 -0.015 0.000 1.379 800 R CB -0.309 29.973 30.300 -0.030 0.000 1.170 800 R HN 0.261 nan 8.270 nan 0.000 0.584 801 I N 2.098 122.664 120.570 -0.007 0.000 2.683 801 I HA -0.135 4.051 4.170 0.026 0.000 0.286 801 I C 0.257 176.364 176.117 -0.017 0.000 1.175 801 I CA 0.649 61.946 61.300 -0.005 0.000 1.429 801 I CB 0.557 38.557 38.000 0.001 0.000 1.371 801 I HN 0.376 nan 8.210 nan 0.000 0.569 802 D N 9.379 129.768 120.400 -0.017 0.000 2.428 802 D HA 0.280 4.936 4.640 0.026 0.000 0.221 802 D C -1.799 174.471 176.300 -0.050 0.000 1.123 802 D CA -2.208 51.773 54.000 -0.031 0.000 0.869 802 D CB 1.242 42.029 40.800 -0.022 0.000 1.032 802 D HN 0.188 nan 8.370 nan 0.000 0.506 803 P HA -0.136 nan 4.420 nan 0.000 0.216 803 P C 0.839 178.061 177.300 -0.131 0.000 1.150 803 P CA 0.916 63.969 63.100 -0.078 0.000 0.843 803 P CB 0.324 31.983 31.700 -0.069 0.000 0.787 804 N N -0.728 117.885 118.700 -0.145 0.000 2.424 804 N HA 0.054 4.809 4.740 0.026 0.000 0.178 804 N C 0.672 175.994 175.510 -0.313 0.000 1.060 804 N CA 0.171 53.084 53.050 -0.229 0.000 0.901 804 N CB -0.304 38.067 38.487 -0.193 0.000 0.979 804 N HN 0.042 nan 8.380 nan 0.000 0.451 805 A N 0.294 122.994 122.820 -0.200 0.000 2.546 805 A HA -0.056 4.279 4.320 0.026 0.000 0.243 805 A C 0.870 178.299 177.584 -0.259 0.000 1.063 805 A CA -0.230 51.704 52.037 -0.171 0.000 0.757 805 A CB -0.233 18.731 19.000 -0.060 0.000 0.991 805 A HN 0.388 nan 8.150 nan 0.000 0.503 806 W N 2.017 123.082 121.300 -0.392 0.000 2.290 806 W HA -0.261 4.414 4.660 0.026 0.000 0.323 806 W C 2.248 178.162 176.519 -1.008 0.000 1.260 806 W CA 1.988 58.850 57.345 -0.804 0.000 1.266 806 W CB -0.297 28.607 29.460 -0.928 0.000 1.149 806 W HN 0.600 nan 8.180 nan 0.000 0.482 807 V N 0.693 120.453 119.914 -0.257 0.000 2.407 807 V HA -0.268 3.868 4.120 0.026 0.000 0.248 807 V C 2.191 178.377 176.094 0.153 0.000 1.055 807 V CA 2.207 64.592 62.300 0.142 0.000 1.049 807 V CB -0.426 31.548 31.823 0.252 0.000 0.662 807 V HN 0.083 nan 8.190 nan 0.000 0.455 808 E N 0.524 120.733 120.200 0.015 0.000 2.051 808 E HA -0.206 4.160 4.350 0.026 0.000 0.192 808 E C 2.325 178.920 176.600 -0.008 0.000 0.991 808 E CA 1.636 58.044 56.400 0.013 0.000 0.799 808 E CB -0.471 29.206 29.700 -0.038 0.000 0.748 808 E HN 0.669 nan 8.360 nan 0.000 0.449 809 R N -0.212 120.212 120.500 -0.128 0.000 2.127 809 R HA -0.138 4.218 4.340 0.026 0.000 0.238 809 R C 2.229 178.512 176.300 -0.029 0.000 1.134 809 R CA 1.118 57.133 56.100 -0.141 0.000 0.975 809 R CB -0.277 29.852 30.300 -0.284 0.000 0.865 809 R HN 0.275 nan 8.270 nan 0.000 0.447 810 W N 1.715 123.029 121.300 0.024 0.000 2.443 810 W HA 0.070 4.746 4.660 0.026 0.000 0.296 810 W C 2.086 178.604 176.519 -0.002 0.000 1.202 810 W CA 0.106 57.395 57.345 -0.094 0.000 1.312 810 W CB -0.628 28.881 29.460 0.082 0.000 1.120 810 W HN 0.048 nan 8.180 nan 0.000 0.536 811 K N 0.417 121.061 120.400 0.407 0.000 1.991 811 K HA -0.139 4.196 4.320 0.026 0.000 0.212 811 K C 2.198 178.885 176.600 0.146 0.000 1.049 811 K CA 2.141 58.617 56.287 0.315 0.000 0.932 811 K CB -0.655 31.970 32.500 0.209 0.000 0.717 811 K HN -0.047 nan 8.250 nan 0.000 0.441 812 A N 0.585 123.463 122.820 0.097 0.000 2.084 812 A HA -0.145 4.191 4.320 0.026 0.000 0.221 812 A C 2.046 179.656 177.584 0.043 0.000 1.161 812 A CA 1.978 54.050 52.037 0.059 0.000 0.653 812 A CB -0.527 18.489 19.000 0.028 0.000 0.802 812 A HN 0.412 nan 8.150 nan 0.000 0.457 813 A N -2.639 120.182 122.820 0.001 0.000 2.169 813 A HA 0.445 4.780 4.320 0.026 0.000 0.210 813 A C 1.821 179.365 177.584 -0.066 0.000 1.168 813 A CA 1.133 53.154 52.037 -0.028 0.000 0.813 813 A CB -0.392 18.541 19.000 -0.112 0.000 0.861 813 A HN 1.806 nan 8.150 nan 0.000 0.481 814 G N -1.374 107.322 108.800 -0.172 0.000 2.176 814 G HA2 -0.296 3.679 3.960 0.026 0.000 0.232 814 G HA3 -0.296 3.679 3.960 0.026 0.000 0.232 814 G C 0.671 175.585 174.900 0.023 0.000 0.986 814 G CA 0.627 45.451 45.100 -0.459 0.000 0.643 814 G HN 0.691 nan 8.290 nan 0.000 0.522 815 H N -1.184 117.888 119.070 0.002 0.000 2.431 815 H HA -0.147 4.424 4.556 0.026 0.000 0.297 815 H C 2.190 177.491 175.328 -0.045 0.000 1.115 815 H CA 1.692 57.744 56.048 0.006 0.000 1.277 815 H CB 0.020 29.713 29.762 -0.114 0.000 1.372 815 H HN 0.625 nan 8.280 nan 0.000 0.516 816 Y N 0.644 121.058 120.300 0.190 0.000 2.475 816 Y HA -0.092 4.474 4.550 0.026 0.000 0.289 816 Y C 2.548 178.525 175.900 0.129 0.000 1.121 816 Y CA 0.565 58.743 58.100 0.130 0.000 1.257 816 Y CB 0.442 38.965 38.460 0.104 0.000 1.026 816 Y HN 0.325 nan 8.280 nan 0.000 0.555 817 Q N 0.096 120.040 119.800 0.240 0.000 2.280 817 Q HA 0.300 4.655 4.340 0.026 0.000 0.228 817 Q C 0.652 176.822 176.000 0.284 0.000 0.857 817 Q CA 0.205 56.142 55.803 0.224 0.000 0.939 817 Q CB 0.083 28.952 28.738 0.218 0.000 1.114 817 Q HN 0.165 nan 8.270 nan 0.000 0.514 818 A N 2.105 125.093 122.820 0.282 0.000 2.580 818 A HA 0.000 4.336 4.320 0.026 0.000 0.244 818 A C -0.307 177.561 177.584 0.474 0.000 1.045 818 A CA 0.416 52.695 52.037 0.403 0.000 0.761 818 A CB -0.025 19.229 19.000 0.422 0.000 0.962 818 A HN 0.391 nan 8.150 nan 0.000 0.512 819 E N 1.074 121.485 120.200 0.352 0.000 2.202 819 E HA 0.526 4.892 4.350 0.026 0.000 0.272 819 E C 0.221 176.822 176.600 0.002 0.000 0.951 819 E CA -0.593 55.935 56.400 0.214 0.000 0.813 819 E CB 1.809 31.610 29.700 0.169 0.000 1.151 819 E HN 0.852 nan 8.360 nan 0.000 0.398 820 A N 1.594 124.309 122.820 -0.176 0.000 2.406 820 A HA 0.512 4.847 4.320 0.026 0.000 0.243 820 A C -0.253 177.199 177.584 -0.221 0.000 1.082 820 A CA 0.060 51.808 52.037 -0.482 0.000 0.786 820 A CB 0.392 19.166 19.000 -0.378 0.000 1.029 820 A HN 0.583 nan 8.150 nan 0.000 0.495 821 A N 1.735 124.401 122.820 -0.258 0.000 2.702 821 A HA 0.515 4.851 4.320 0.026 0.000 0.305 821 A C -0.477 176.982 177.584 -0.210 0.000 1.213 821 A CA -0.483 51.470 52.037 -0.140 0.000 0.745 821 A CB 0.055 19.017 19.000 -0.063 0.000 1.161 821 A HN 1.286 nan 8.150 nan 0.000 0.445 822 L N 3.078 124.142 121.223 -0.265 0.000 2.615 822 L HA 0.068 4.424 4.340 0.026 0.000 0.271 822 L C 0.654 177.369 176.870 -0.259 0.000 1.183 822 L CA 0.507 55.078 54.840 -0.448 0.000 0.933 822 L CB 0.138 41.963 42.059 -0.390 0.000 1.199 822 L HN 0.737 nan 8.230 nan 0.000 0.487 823 L N 3.684 124.749 121.223 -0.263 0.000 2.221 823 L HA 0.171 4.526 4.340 0.026 0.000 0.202 823 L C 0.562 177.381 176.870 -0.085 0.000 1.074 823 L CA 0.514 55.285 54.840 -0.116 0.000 0.795 823 L CB -0.121 41.908 42.059 -0.050 0.000 0.960 823 L HN 0.838 nan 8.230 nan 0.000 0.458 824 Q N -0.751 118.987 119.800 -0.104 0.000 2.527 824 Q HA 0.378 4.734 4.340 0.026 0.000 0.280 824 Q C -1.484 174.500 176.000 -0.027 0.000 0.977 824 Q CA -0.784 54.995 55.803 -0.039 0.000 0.837 824 Q CB 2.639 31.376 28.738 -0.002 0.000 1.454 824 Q HN 0.030 nan 8.270 nan 0.000 0.387 825 C N 2.610 121.927 119.300 0.028 0.000 3.146 825 C HA 0.720 5.195 4.460 0.026 0.000 0.382 825 C C -1.231 173.850 174.990 0.151 0.000 1.060 825 C CA 0.739 59.810 59.018 0.089 0.000 1.304 825 C CB 0.400 28.201 27.740 0.102 0.000 1.699 825 C HN 0.932 nan 8.230 nan 0.000 0.532 826 T N 2.492 117.064 114.554 0.030 0.000 2.906 826 T HA 0.891 5.256 4.350 0.026 0.000 0.295 826 T C -0.255 174.199 174.700 -0.410 0.000 1.061 826 T CA 0.060 62.108 62.100 -0.088 0.000 1.000 826 T CB 1.901 70.744 68.868 -0.042 0.000 1.103 826 T HN 1.907 nan 8.240 nan 0.000 0.486 827 A N 1.669 124.070 122.820 -0.699 0.000 2.337 827 A HA 0.837 5.173 4.320 0.026 0.000 0.331 827 A C -0.860 176.495 177.584 -0.381 0.000 1.137 827 A CA -0.598 50.980 52.037 -0.765 0.000 0.807 827 A CB 1.261 19.541 19.000 -1.199 0.000 1.250 827 A HN 0.905 nan 8.150 nan 0.000 0.468 828 D N -0.503 119.723 120.400 -0.291 0.000 2.655 828 D HA 0.466 5.122 4.640 0.026 0.000 0.229 828 D C -1.387 174.822 176.300 -0.153 0.000 1.229 828 D CA -0.004 53.894 54.000 -0.170 0.000 0.807 828 D CB 2.404 43.129 40.800 -0.126 0.000 1.514 828 D HN 0.368 nan 8.370 nan 0.000 0.444 829 T N 2.021 116.513 114.554 -0.103 0.000 2.771 829 T HA 0.452 4.818 4.350 0.026 0.000 0.281 829 T C -0.133 174.525 174.700 -0.070 0.000 0.982 829 T CA -0.462 61.586 62.100 -0.086 0.000 0.978 829 T CB 0.415 69.246 68.868 -0.060 0.000 0.930 829 T HN 0.091 nan 8.240 nan 0.000 0.447 830 L N 2.988 124.166 121.223 -0.076 0.000 2.448 830 L HA 0.598 4.954 4.340 0.026 0.000 0.258 830 L C 1.665 178.503 176.870 -0.052 0.000 1.104 830 L CA -0.074 54.729 54.840 -0.062 0.000 0.800 830 L CB 0.268 42.287 42.059 -0.067 0.000 1.241 830 L HN 0.751 nan 8.230 nan 0.000 0.472 831 A N 0.406 123.200 122.820 -0.043 0.000 1.930 831 A HA -0.107 4.228 4.320 0.026 0.000 0.217 831 A C 1.160 178.719 177.584 -0.042 0.000 1.175 831 A CA 1.636 53.652 52.037 -0.035 0.000 0.627 831 A CB -0.431 18.553 19.000 -0.027 0.000 0.815 831 A HN 0.837 nan 8.150 nan 0.000 0.443 832 D N -2.220 118.150 120.400 -0.051 0.000 2.469 832 D HA 0.503 5.158 4.640 0.026 0.000 0.213 832 D C 0.243 176.498 176.300 -0.074 0.000 1.135 832 D CA 0.827 54.792 54.000 -0.058 0.000 0.834 832 D CB 0.274 41.041 40.800 -0.054 0.000 1.009 832 D HN 0.432 nan 8.370 nan 0.000 0.507 833 A N -0.307 122.463 122.820 -0.084 0.000 2.564 833 A HA 0.575 4.911 4.320 0.026 0.000 0.291 833 A C -1.745 175.768 177.584 -0.118 0.000 1.102 833 A CA -0.658 51.315 52.037 -0.106 0.000 0.660 833 A CB 1.416 20.355 19.000 -0.102 0.000 1.283 833 A HN -0.018 nan 8.150 nan 0.000 0.430 834 V N 0.426 120.249 119.914 -0.152 0.000 2.628 834 V HA 0.697 4.833 4.120 0.026 0.000 0.306 834 V C -0.998 174.984 176.094 -0.187 0.000 1.045 834 V CA -0.526 61.672 62.300 -0.171 0.000 0.905 834 V CB 1.476 33.184 31.823 -0.192 0.000 0.997 834 V HN 1.011 nan 8.190 nan 0.000 0.436 835 L N 5.876 126.985 121.223 -0.190 0.000 2.343 835 L HA 0.681 5.037 4.340 0.026 0.000 0.278 835 L C -0.920 175.813 176.870 -0.228 0.000 0.996 835 L CA -0.085 54.655 54.840 -0.166 0.000 0.831 835 L CB 1.237 43.229 42.059 -0.112 0.000 1.232 835 L HN 0.394 nan 8.230 nan 0.000 0.413 836 I N 3.698 124.134 120.570 -0.222 0.000 2.488 836 I HA 0.538 4.724 4.170 0.026 0.000 0.299 836 I C 0.469 176.585 176.117 -0.002 0.000 0.984 836 I CA -0.320 60.811 61.300 -0.281 0.000 1.250 836 I CB 1.436 39.077 38.000 -0.598 0.000 1.389 836 I HN 0.593 nan 8.210 nan 0.000 0.488 837 T N 4.338 118.880 114.554 -0.021 0.000 2.824 837 T HA 0.689 5.055 4.350 0.026 0.000 0.282 837 T C 0.020 174.793 174.700 0.122 0.000 0.993 837 T CA -0.486 61.656 62.100 0.069 0.000 0.967 837 T CB 1.671 70.543 68.868 0.007 0.000 0.960 837 T HN 0.875 nan 8.240 nan 0.000 0.441 838 T N -0.407 114.263 114.554 0.193 0.000 2.841 838 T HA 0.890 5.255 4.350 0.026 0.000 0.296 838 T C -1.581 173.240 174.700 0.202 0.000 1.166 838 T CA -0.898 61.324 62.100 0.203 0.000 1.007 838 T CB 1.943 71.010 68.868 0.330 0.000 1.253 838 T HN 0.880 nan 8.240 nan 0.000 0.511 839 A N 1.356 124.269 122.820 0.155 0.000 2.540 839 A HA 0.743 5.079 4.320 0.026 0.000 0.297 839 A C -1.686 175.915 177.584 0.029 0.000 1.056 839 A CA -0.782 51.374 52.037 0.199 0.000 0.700 839 A CB 0.901 19.970 19.000 0.115 0.000 1.280 839 A HN 1.038 nan 8.150 nan 0.000 0.398 840 H N -0.090 119.041 119.070 0.103 0.000 2.928 840 H HA 0.845 5.417 4.556 0.026 0.000 0.371 840 H C -0.148 175.245 175.328 0.109 0.000 1.186 840 H CA 0.044 56.065 56.048 -0.044 0.000 1.134 840 H CB 2.071 31.604 29.762 -0.383 0.000 1.824 840 H HN 1.093 nan 8.280 nan 0.000 0.554 841 A N 1.401 124.275 122.820 0.090 0.000 2.356 841 A HA 0.496 4.832 4.320 0.026 0.000 0.310 841 A C -1.320 176.379 177.584 0.192 0.000 1.075 841 A CA -0.724 51.468 52.037 0.259 0.000 0.746 841 A CB 1.135 20.230 19.000 0.158 0.000 1.221 841 A HN 0.552 nan 8.150 nan 0.000 0.443 842 W N 2.361 123.799 121.300 0.230 0.000 2.469 842 W HA 0.489 5.165 4.660 0.026 0.000 0.320 842 W C -0.007 176.555 176.519 0.071 0.000 1.086 842 W CA -0.430 57.047 57.345 0.220 0.000 1.211 842 W CB 1.725 31.384 29.460 0.331 0.000 1.298 842 W HN 0.864 nan 8.180 nan 0.000 0.525 843 Q N 2.061 122.031 119.800 0.283 0.000 2.501 843 Q HA 0.440 4.796 4.340 0.026 0.000 0.288 843 Q C -1.700 174.453 176.000 0.255 0.000 1.051 843 Q CA -0.844 55.069 55.803 0.184 0.000 0.788 843 Q CB 3.454 32.260 28.738 0.113 0.000 1.469 843 Q HN 0.602 nan 8.270 nan 0.000 0.416 844 H N 1.534 120.652 119.070 0.080 0.000 3.017 844 H HA 0.066 4.638 4.556 0.026 0.000 0.340 844 H C -0.708 174.657 175.328 0.063 0.000 1.014 844 H CA -0.067 56.035 56.048 0.090 0.000 1.341 844 H CB 1.183 31.012 29.762 0.112 0.000 1.739 844 H HN 0.843 nan 8.280 nan 0.000 0.506 845 Q N 2.968 122.633 119.800 -0.226 0.000 2.435 845 Q HA -0.215 4.140 4.340 0.026 0.000 0.312 845 Q C 0.825 176.803 176.000 -0.036 0.000 1.333 845 Q CA 1.130 56.838 55.803 -0.158 0.000 0.883 845 Q CB -2.270 26.349 28.738 -0.199 0.000 1.170 845 Q HN 1.143 nan 8.270 nan 0.000 0.443 846 G N -0.645 108.151 108.800 -0.007 0.000 2.162 846 G HA2 -0.323 3.652 3.960 0.026 0.000 0.260 846 G HA3 -0.323 3.652 3.960 0.026 0.000 0.260 846 G C 0.042 174.958 174.900 0.028 0.000 0.976 846 G CA 0.543 45.651 45.100 0.013 0.000 0.655 846 G HN 0.265 nan 8.290 nan 0.000 0.533 847 K N 1.633 122.058 120.400 0.042 0.000 2.292 847 K HA 0.494 4.829 4.320 0.026 0.000 0.270 847 K C 0.022 176.644 176.600 0.037 0.000 1.062 847 K CA -0.218 56.094 56.287 0.043 0.000 0.916 847 K CB 0.526 33.059 32.500 0.056 0.000 1.166 847 K HN 0.065 nan 8.250 nan 0.000 0.458 848 T N 6.115 120.684 114.554 0.025 0.000 2.743 848 T HA 0.154 4.519 4.350 0.026 0.000 0.290 848 T C 1.806 176.458 174.700 -0.080 0.000 0.908 848 T CA -0.078 62.033 62.100 0.018 0.000 1.092 848 T CB 0.208 69.108 68.868 0.054 0.000 0.882 848 T HN 0.395 nan 8.240 nan 0.000 0.531 849 L N 2.985 124.056 121.223 -0.253 0.000 1.993 849 L HA 0.210 4.565 4.340 0.026 0.000 0.206 849 L C 0.303 176.738 176.870 -0.726 0.000 1.074 849 L CA 1.278 55.694 54.840 -0.707 0.000 0.746 849 L CB -0.181 40.996 42.059 -1.470 0.000 0.896 849 L HN 0.523 nan 8.230 nan 0.000 0.435 850 F N -1.277 118.629 119.950 -0.074 0.000 2.611 850 F HA 0.595 5.138 4.527 0.026 0.000 0.324 850 F C -0.249 175.666 175.800 0.193 0.000 1.061 850 F CA -0.897 57.031 58.000 -0.120 0.000 0.954 850 F CB 1.965 40.549 39.000 -0.695 0.000 1.301 850 F HN -0.269 nan 8.300 nan 0.000 0.482 851 I N 1.491 122.325 120.570 0.439 0.000 2.497 851 I HA 0.209 4.395 4.170 0.026 0.000 0.284 851 I C -0.860 175.548 176.117 0.484 0.000 1.060 851 I CA -0.369 61.215 61.300 0.473 0.000 1.071 851 I CB 1.918 40.101 38.000 0.304 0.000 1.216 851 I HN 0.517 nan 8.210 nan 0.000 0.442 852 S N 6.571 122.682 115.700 0.685 0.000 2.480 852 S HA 0.520 5.005 4.470 0.026 0.000 0.286 852 S C -0.319 174.530 174.600 0.415 0.000 1.180 852 S CA -0.509 58.014 58.200 0.538 0.000 1.075 852 S CB 0.659 64.258 63.200 0.666 0.000 0.996 852 S HN 0.540 nan 8.310 nan 0.000 0.487 853 R N 3.826 124.496 120.500 0.283 0.000 2.472 853 R HA 0.305 4.660 4.340 0.026 0.000 0.294 853 R C -0.569 175.816 176.300 0.142 0.000 1.243 853 R CA -0.495 55.737 56.100 0.221 0.000 1.023 853 R CB 1.268 31.681 30.300 0.188 0.000 1.157 853 R HN 0.664 nan 8.270 nan 0.000 0.530 854 K N 0.352 120.832 120.400 0.133 0.000 2.354 854 K HA 0.615 4.950 4.320 0.026 0.000 0.238 854 K C -0.220 176.399 176.600 0.031 0.000 1.068 854 K CA -0.851 55.440 56.287 0.007 0.000 0.925 854 K CB 1.564 33.970 32.500 -0.156 0.000 1.286 854 K HN 0.330 nan 8.250 nan 0.000 0.500 855 T N -1.590 112.893 114.554 -0.118 0.000 2.956 855 T HA 0.495 4.861 4.350 0.026 0.000 0.312 855 T C -1.558 173.034 174.700 -0.181 0.000 1.151 855 T CA -0.814 61.272 62.100 -0.023 0.000 1.024 855 T CB 0.529 69.394 68.868 -0.006 0.000 1.140 855 T HN 0.456 nan 8.240 nan 0.000 0.473 856 Y N 1.003 121.307 120.300 0.005 0.000 2.391 856 Y HA 0.739 5.304 4.550 0.026 0.000 0.341 856 Y C 0.368 176.213 175.900 -0.092 0.000 0.965 856 Y CA -1.286 56.817 58.100 0.004 0.000 1.067 856 Y CB 1.943 40.471 38.460 0.113 0.000 1.199 856 Y HN 0.836 nan 8.280 nan 0.000 0.450 857 R N 4.762 125.292 120.500 0.050 0.000 2.507 857 R HA 0.562 4.917 4.340 0.026 0.000 0.298 857 R C -2.017 174.217 176.300 -0.111 0.000 1.087 857 R CA -0.309 55.761 56.100 -0.050 0.000 0.917 857 R CB 0.616 30.890 30.300 -0.044 0.000 1.173 857 R HN 0.847 nan 8.270 nan 0.000 0.472 858 I N 4.852 125.292 120.570 -0.217 0.000 2.321 858 I HA 0.235 4.421 4.170 0.026 0.000 0.291 858 I C -0.260 175.715 176.117 -0.238 0.000 0.998 858 I CA -0.799 60.292 61.300 -0.348 0.000 1.227 858 I CB 1.380 38.974 38.000 -0.676 0.000 1.368 858 I HN 0.664 nan 8.210 nan 0.000 0.466 859 D N 4.106 124.405 120.400 -0.169 0.000 2.592 859 D HA 0.303 4.959 4.640 0.026 0.000 0.259 859 D C 1.333 177.587 176.300 -0.076 0.000 1.144 859 D CA -0.698 53.237 54.000 -0.109 0.000 1.080 859 D CB 0.620 41.375 40.800 -0.076 0.000 1.225 859 D HN 0.467 nan 8.370 nan 0.000 0.619 860 G N -0.877 107.890 108.800 -0.054 0.000 2.485 860 G HA2 -0.276 3.699 3.960 0.026 0.000 0.221 860 G HA3 -0.276 3.699 3.960 0.026 0.000 0.221 860 G C 1.172 176.089 174.900 0.029 0.000 1.115 860 G CA 1.124 46.215 45.100 -0.016 0.000 0.751 860 G HN 0.444 nan 8.290 nan 0.000 0.567 861 S N 0.159 115.866 115.700 0.013 0.000 2.469 861 S HA 0.191 4.677 4.470 0.026 0.000 0.238 861 S C 1.995 176.646 174.600 0.085 0.000 0.998 861 S CA 0.992 59.219 58.200 0.045 0.000 0.957 861 S CB -0.314 62.901 63.200 0.026 0.000 0.764 861 S HN 1.482 nan 8.310 nan 0.000 0.514 862 G N 1.749 110.601 108.800 0.087 0.000 2.160 862 G HA2 -0.289 3.686 3.960 0.026 0.000 0.251 862 G HA3 -0.289 3.686 3.960 0.026 0.000 0.251 862 G C -0.197 174.830 174.900 0.211 0.000 1.008 862 G CA 0.320 45.558 45.100 0.230 0.000 0.724 862 G HN 0.775 nan 8.290 nan 0.000 0.514 863 Q N -0.792 119.033 119.800 0.042 0.000 2.306 863 Q HA 0.769 5.125 4.340 0.026 0.000 0.265 863 Q C 0.175 176.132 176.000 -0.072 0.000 1.022 863 Q CA -1.297 54.533 55.803 0.044 0.000 0.853 863 Q CB 1.183 29.960 28.738 0.065 0.000 1.327 863 Q HN 0.734 nan 8.270 nan 0.000 0.449 864 M N 0.890 120.486 119.600 -0.007 0.000 2.088 864 M HA 0.708 5.204 4.480 0.026 0.000 0.346 864 M C -0.958 175.401 176.300 0.098 0.000 1.111 864 M CA -0.714 54.585 55.300 -0.002 0.000 1.017 864 M CB 1.711 34.269 32.600 -0.070 0.000 1.568 864 M HN 0.590 nan 8.290 nan 0.000 0.445 865 A N 6.394 129.240 122.820 0.043 0.000 2.478 865 A HA 0.659 4.994 4.320 0.026 0.000 0.327 865 A C -0.342 177.230 177.584 -0.020 0.000 1.431 865 A CA -0.726 51.328 52.037 0.028 0.000 1.014 865 A CB -0.202 18.804 19.000 0.009 0.000 1.143 865 A HN 0.956 nan 8.150 nan 0.000 0.532 866 I N 2.021 122.559 120.570 -0.053 0.000 2.315 866 I HA 0.294 4.480 4.170 0.026 0.000 0.291 866 I C 0.031 176.003 176.117 -0.242 0.000 1.006 866 I CA -0.048 61.107 61.300 -0.241 0.000 1.265 866 I CB 1.547 39.413 38.000 -0.223 0.000 1.387 866 I HN 0.368 nan 8.210 nan 0.000 0.475 867 T N 6.057 120.444 114.554 -0.279 0.000 2.892 867 T HA 0.421 4.787 4.350 0.026 0.000 0.311 867 T C -0.189 174.343 174.700 -0.280 0.000 1.033 867 T CA -0.330 61.636 62.100 -0.224 0.000 0.991 867 T CB 1.213 70.056 68.868 -0.040 0.000 0.981 867 T HN 0.229 nan 8.240 nan 0.000 0.457 868 V N 3.571 123.179 119.914 -0.510 0.000 2.612 868 V HA 0.601 4.737 4.120 0.026 0.000 0.301 868 V C -0.107 175.875 176.094 -0.186 0.000 1.046 868 V CA -0.782 61.242 62.300 -0.461 0.000 0.946 868 V CB 1.902 33.177 31.823 -0.913 0.000 1.003 868 V HN 0.781 nan 8.190 nan 0.000 0.459 869 D N 1.816 122.251 120.400 0.058 0.000 2.616 869 D HA 0.374 5.030 4.640 0.026 0.000 0.238 869 D C -1.157 175.304 176.300 0.268 0.000 1.354 869 D CA -0.062 54.080 54.000 0.237 0.000 0.970 869 D CB 2.507 43.463 40.800 0.260 0.000 1.369 869 D HN 0.300 nan 8.370 nan 0.000 0.585 870 V N 1.884 122.006 119.914 0.346 0.000 2.617 870 V HA 0.397 4.532 4.120 0.026 0.000 0.298 870 V C 0.287 176.557 176.094 0.295 0.000 1.048 870 V CA -0.602 61.908 62.300 0.349 0.000 0.964 870 V CB 2.084 34.145 31.823 0.397 0.000 1.004 870 V HN 0.409 nan 8.190 nan 0.000 0.466 871 E N 1.888 122.247 120.200 0.263 0.000 2.182 871 E HA 0.576 4.941 4.350 0.026 0.000 0.258 871 E C -1.441 175.300 176.600 0.235 0.000 0.879 871 E CA -0.361 56.164 56.400 0.208 0.000 0.754 871 E CB 1.880 31.683 29.700 0.172 0.000 1.162 871 E HN 0.570 nan 8.360 nan 0.000 0.419 872 V N 2.398 122.455 119.914 0.237 0.000 2.483 872 V HA 0.584 4.720 4.120 0.026 0.000 0.295 872 V C 0.290 176.495 176.094 0.185 0.000 1.035 872 V CA -1.087 61.378 62.300 0.275 0.000 0.896 872 V CB 1.512 33.546 31.823 0.353 0.000 0.986 872 V HN 0.801 nan 8.190 nan 0.000 0.447 873 A N 2.925 125.818 122.820 0.121 0.000 2.450 873 A HA 0.375 4.711 4.320 0.026 0.000 0.255 873 A C 1.660 179.324 177.584 0.133 0.000 1.096 873 A CA 0.505 52.595 52.037 0.087 0.000 0.778 873 A CB 0.387 19.399 19.000 0.020 0.000 1.031 873 A HN 1.337 nan 8.150 nan 0.000 0.494 874 S N 1.658 117.426 115.700 0.112 0.000 2.374 874 S HA -0.215 4.270 4.470 0.026 0.000 0.227 874 S C 1.050 175.725 174.600 0.124 0.000 1.037 874 S CA 1.914 60.190 58.200 0.126 0.000 1.024 874 S CB -0.438 62.814 63.200 0.086 0.000 0.861 874 S HN 0.825 nan 8.310 nan 0.000 0.456 875 D N 0.150 120.601 120.400 0.085 0.000 2.325 875 D HA 0.152 4.807 4.640 0.026 0.000 0.225 875 D C 0.476 176.812 176.300 0.059 0.000 1.096 875 D CA 0.057 54.092 54.000 0.057 0.000 0.844 875 D CB -0.491 40.332 40.800 0.038 0.000 0.925 875 D HN 0.325 nan 8.370 nan 0.000 0.513 876 T N 1.190 115.806 114.554 0.103 0.000 2.875 876 T HA 0.416 4.782 4.350 0.026 0.000 0.284 876 T C -2.575 172.228 174.700 0.172 0.000 0.995 876 T CA -1.969 60.220 62.100 0.148 0.000 1.060 876 T CB 1.288 70.257 68.868 0.169 0.000 0.967 876 T HN -0.176 nan 8.240 nan 0.000 0.476 877 P HA 0.122 nan 4.420 nan 0.000 0.270 877 P C -0.510 177.064 177.300 0.456 0.000 1.227 877 P CA -0.159 63.035 63.100 0.157 0.000 0.788 877 P CB 0.261 32.099 31.700 0.231 0.000 0.926 878 H N 1.077 120.526 119.070 0.632 0.000 2.652 878 H HA 0.179 4.751 4.556 0.026 0.000 0.349 878 H C -1.858 173.777 175.328 0.512 0.000 1.099 878 H CA -2.006 54.331 56.048 0.482 0.000 1.417 878 H CB -0.745 29.242 29.762 0.376 0.000 1.457 878 H HN 0.308 nan 8.280 nan 0.000 0.568 879 P HA 0.069 nan 4.420 nan 0.000 0.271 879 P C 0.187 177.379 177.300 -0.181 0.000 1.218 879 P CA -0.268 62.833 63.100 0.002 0.000 0.780 879 P CB 0.790 32.378 31.700 -0.188 0.000 0.901 880 A N 3.334 125.853 122.820 -0.501 0.000 2.119 880 A HA 0.000 4.336 4.320 0.026 0.000 0.216 880 A C 1.075 178.271 177.584 -0.648 0.000 1.152 880 A CA 1.023 52.727 52.037 -0.555 0.000 0.708 880 A CB -0.472 18.010 19.000 -0.862 0.000 0.805 880 A HN 0.749 nan 8.150 nan 0.000 0.460 881 R N -2.346 117.826 120.500 -0.546 0.000 2.741 881 R HA 0.652 5.007 4.340 0.026 0.000 0.276 881 R C -2.255 173.825 176.300 -0.367 0.000 1.028 881 R CA -0.760 55.036 56.100 -0.507 0.000 0.865 881 R CB 0.435 30.406 30.300 -0.548 0.000 1.268 881 R HN 0.052 nan 8.270 nan 0.000 0.475 882 I N 1.517 121.896 120.570 -0.318 0.000 2.590 882 I HA 0.605 4.790 4.170 0.026 0.000 0.283 882 I C -0.356 175.504 176.117 -0.428 0.000 1.154 882 I CA -0.322 60.788 61.300 -0.316 0.000 1.067 882 I CB 1.901 39.810 38.000 -0.151 0.000 1.243 882 I HN 1.021 nan 8.210 nan 0.000 0.451 883 G N 5.697 114.231 108.800 -0.444 0.000 2.510 883 G HA2 0.704 4.679 3.960 0.026 0.000 0.277 883 G HA3 0.704 4.679 3.960 0.026 0.000 0.277 883 G C -1.837 172.922 174.900 -0.236 0.000 1.223 883 G CA -0.588 44.304 45.100 -0.346 0.000 0.887 883 G HN 0.283 nan 8.290 nan 0.000 0.485 884 L N 1.200 122.329 121.223 -0.157 0.000 2.354 884 L HA 0.640 4.995 4.340 0.026 0.000 0.264 884 L C -0.724 176.071 176.870 -0.125 0.000 1.008 884 L CA -1.102 53.670 54.840 -0.113 0.000 0.819 884 L CB 2.437 44.486 42.059 -0.017 0.000 1.339 884 L HN 0.794 nan 8.230 nan 0.000 0.420 885 N N 0.953 119.605 118.700 -0.080 0.000 2.416 885 N HA 0.728 5.483 4.740 0.026 0.000 0.276 885 N C -1.312 174.223 175.510 0.041 0.000 1.261 885 N CA -0.507 52.534 53.050 -0.015 0.000 0.790 885 N CB 2.584 41.083 38.487 0.019 0.000 1.554 885 N HN 0.875 nan 8.380 nan 0.000 0.481 886 C N -0.410 118.942 119.300 0.087 0.000 3.303 886 C HA 0.561 5.036 4.460 0.026 0.000 0.340 886 C C -1.363 173.516 174.990 -0.185 0.000 1.274 886 C CA -0.749 58.273 59.018 0.006 0.000 1.234 886 C CB 0.967 28.728 27.740 0.035 0.000 1.532 886 C HN 0.909 nan 8.230 nan 0.000 0.483 887 Q N 1.904 121.433 119.800 -0.451 0.000 2.325 887 Q HA 0.702 5.058 4.340 0.026 0.000 0.262 887 Q C -1.363 174.393 176.000 -0.407 0.000 0.968 887 Q CA -0.529 54.786 55.803 -0.813 0.000 0.877 887 Q CB 1.111 28.920 28.738 -1.548 0.000 1.253 887 Q HN 0.829 nan 8.270 nan 0.000 0.448 888 L N 3.048 124.098 121.223 -0.287 0.000 2.357 888 L HA 0.430 4.785 4.340 0.026 0.000 0.273 888 L C 0.835 177.634 176.870 -0.118 0.000 1.080 888 L CA -0.268 54.513 54.840 -0.099 0.000 0.803 888 L CB 1.381 43.491 42.059 0.084 0.000 1.174 888 L HN 0.927 nan 8.230 nan 0.000 0.443 889 A N 2.004 124.777 122.820 -0.077 0.000 1.898 889 A HA -0.012 4.324 4.320 0.026 0.000 0.214 889 A C 0.932 178.501 177.584 -0.026 0.000 1.183 889 A CA 0.362 52.352 52.037 -0.077 0.000 0.622 889 A CB -0.139 18.808 19.000 -0.089 0.000 0.824 889 A HN 0.723 nan 8.150 nan 0.000 0.444 890 Q N -0.919 118.892 119.800 0.020 0.000 2.479 890 Q HA 0.429 4.784 4.340 0.026 0.000 0.267 890 Q C -0.739 175.275 176.000 0.022 0.000 1.071 890 Q CA 0.526 56.324 55.803 -0.010 0.000 0.935 890 Q CB 0.641 29.349 28.738 -0.049 0.000 1.295 890 Q HN 0.112 nan 8.270 nan 0.000 0.476 891 V N 1.011 120.904 119.914 -0.035 0.000 2.559 891 V HA 0.664 4.799 4.120 0.026 0.000 0.289 891 V C -0.984 175.088 176.094 -0.037 0.000 1.036 891 V CA -0.506 61.826 62.300 0.053 0.000 0.887 891 V CB 1.471 33.322 31.823 0.047 0.000 1.022 891 V HN 0.834 nan 8.190 nan 0.000 0.442 892 A N 3.076 125.849 122.820 -0.079 0.000 2.288 892 A HA 0.726 5.062 4.320 0.026 0.000 0.328 892 A C 0.849 178.514 177.584 0.136 0.000 1.123 892 A CA -0.271 51.720 52.037 -0.075 0.000 0.861 892 A CB 1.395 20.206 19.000 -0.316 0.000 1.272 892 A HN 0.824 nan 8.150 nan 0.000 0.490 893 E N -0.283 119.970 120.200 0.088 0.000 2.170 893 E HA -0.012 4.353 4.350 0.026 0.000 0.191 893 E C 0.285 176.973 176.600 0.147 0.000 0.981 893 E CA 0.557 57.018 56.400 0.103 0.000 0.830 893 E CB 0.152 29.888 29.700 0.059 0.000 0.775 893 E HN 0.545 nan 8.360 nan 0.000 0.470 894 R N -0.138 120.467 120.500 0.176 0.000 2.892 894 R HA 0.539 4.894 4.340 0.026 0.000 0.265 894 R C -1.141 175.340 176.300 0.302 0.000 1.025 894 R CA -0.849 55.372 56.100 0.202 0.000 0.982 894 R CB 2.404 32.793 30.300 0.149 0.000 1.185 894 R HN -0.129 nan 8.270 nan 0.000 0.484 895 V N 1.874 121.964 119.914 0.293 0.000 2.623 895 V HA 0.342 4.477 4.120 0.026 0.000 0.304 895 V C -0.669 175.675 176.094 0.417 0.000 1.054 895 V CA -0.991 61.516 62.300 0.344 0.000 0.882 895 V CB 1.991 33.960 31.823 0.244 0.000 1.002 895 V HN 0.749 nan 8.190 nan 0.000 0.424 896 N N 4.318 123.256 118.700 0.397 0.000 2.352 896 N HA 0.527 5.283 4.740 0.026 0.000 0.291 896 N C -1.263 174.486 175.510 0.399 0.000 1.040 896 N CA -0.451 52.808 53.050 0.347 0.000 0.864 896 N CB 2.803 41.382 38.487 0.153 0.000 1.440 896 N HN 0.828 nan 8.380 nan 0.000 0.483 897 W N 3.017 124.355 121.300 0.063 0.000 3.018 897 W HA 0.667 5.342 4.660 0.026 0.000 0.352 897 W C -2.059 174.426 176.519 -0.056 0.000 1.230 897 W CA -1.147 56.205 57.345 0.011 0.000 1.162 897 W CB 0.772 30.239 29.460 0.012 0.000 1.483 897 W HN 0.253 nan 8.180 nan 0.000 0.584 898 L N 3.302 124.420 121.223 -0.176 0.000 2.345 898 L HA 0.925 5.280 4.340 0.026 0.000 0.274 898 L C -0.084 176.509 176.870 -0.463 0.000 0.999 898 L CA 0.435 54.971 54.840 -0.507 0.000 0.849 898 L CB 0.995 42.861 42.059 -0.321 0.000 1.220 898 L HN 1.111 nan 8.230 nan 0.000 0.422 899 G N 3.793 112.167 108.800 -0.711 0.000 2.452 899 G HA2 0.176 4.151 3.960 0.026 0.000 0.224 899 G HA3 0.176 4.151 3.960 0.026 0.000 0.224 899 G C -1.459 173.432 174.900 -0.014 0.000 1.208 899 G CA -0.865 43.982 45.100 -0.421 0.000 0.946 899 G HN 0.522 nan 8.290 nan 0.000 0.481 900 L N 1.188 122.566 121.223 0.258 0.000 2.397 900 L HA 0.623 4.979 4.340 0.026 0.000 0.271 900 L C 1.114 178.065 176.870 0.134 0.000 1.148 900 L CA 0.712 55.676 54.840 0.207 0.000 0.825 900 L CB 0.602 42.722 42.059 0.102 0.000 1.117 900 L HN 1.367 nan 8.230 nan 0.000 0.456 901 G N 1.952 110.584 108.800 -0.279 0.000 2.360 901 G HA2 0.116 4.091 3.960 0.026 0.000 0.276 901 G HA3 0.116 4.091 3.960 0.026 0.000 0.276 901 G C -2.703 171.434 174.900 -1.272 0.000 1.256 901 G CA -0.133 44.553 45.100 -0.688 0.000 0.890 901 G HN 0.334 nan 8.290 nan 0.000 0.486 902 P HA 0.030 nan 4.420 nan 0.000 0.221 902 P C 0.535 177.611 177.300 -0.374 0.000 1.150 902 P CA 1.100 63.512 63.100 -1.146 0.000 0.800 902 P CB -0.045 31.179 31.700 -0.793 0.000 0.787 903 Q N 0.383 119.969 119.800 -0.358 0.000 2.317 903 Q HA 0.223 4.579 4.340 0.026 0.000 0.229 903 Q C 0.296 176.169 176.000 -0.211 0.000 0.984 903 Q CA -0.808 54.862 55.803 -0.221 0.000 0.911 903 Q CB -0.011 28.620 28.738 -0.178 0.000 1.217 903 Q HN 0.093 nan 8.270 nan 0.000 0.501 904 E N 1.094 121.179 120.200 -0.193 0.000 2.652 904 E HA -0.112 4.254 4.350 0.026 0.000 0.255 904 E C -1.117 175.406 176.600 -0.129 0.000 0.952 904 E CA 0.314 56.597 56.400 -0.195 0.000 0.947 904 E CB 0.062 29.706 29.700 -0.094 0.000 0.912 904 E HN 0.734 nan 8.360 nan 0.000 0.489 905 N N 3.068 121.618 118.700 -0.250 0.000 2.324 905 N HA 0.288 5.044 4.740 0.026 0.000 0.285 905 N C -1.805 173.478 175.510 -0.380 0.000 1.076 905 N CA -0.687 52.270 53.050 -0.156 0.000 0.864 905 N CB 0.714 39.122 38.487 -0.131 0.000 1.632 905 N HN 0.173 nan 8.380 nan 0.000 0.478 906 Y N 0.514 120.721 120.300 -0.156 0.000 2.650 906 Y HA 0.536 5.101 4.550 0.026 0.000 0.331 906 Y C -1.527 174.290 175.900 -0.138 0.000 1.082 906 Y CA -2.175 55.826 58.100 -0.165 0.000 1.171 906 Y CB 1.093 39.459 38.460 -0.155 0.000 1.326 906 Y HN 0.422 nan 8.280 nan 0.000 0.513 907 P HA -0.164 nan 4.420 nan 0.000 0.216 907 P C 0.375 177.484 177.300 -0.318 0.000 1.153 907 P CA 2.110 65.178 63.100 -0.053 0.000 0.858 907 P CB 0.166 31.905 31.700 0.064 0.000 0.789 908 D N -2.292 117.761 120.400 -0.577 0.000 2.342 908 D HA 0.013 4.668 4.640 0.026 0.000 0.221 908 D C 0.765 176.934 176.300 -0.217 0.000 1.101 908 D CA 0.009 53.542 54.000 -0.777 0.000 0.837 908 D CB -0.251 39.804 40.800 -1.242 0.000 0.938 908 D HN 0.109 nan 8.370 nan 0.000 0.508 909 R N 0.843 121.290 120.500 -0.088 0.000 2.583 909 R HA 0.205 4.561 4.340 0.026 0.000 0.282 909 R C -0.292 176.036 176.300 0.047 0.000 1.288 909 R CA -0.036 56.079 56.100 0.024 0.000 1.415 909 R CB 0.136 30.460 30.300 0.041 0.000 1.331 909 R HN 0.098 nan 8.270 nan 0.000 0.719 910 L N -3.116 118.140 121.223 0.055 0.000 3.086 910 L HA 0.325 4.681 4.340 0.026 0.000 0.274 910 L C 1.669 178.598 176.870 0.098 0.000 1.184 910 L CA -0.033 54.842 54.840 0.058 0.000 1.002 910 L CB 0.284 42.365 42.059 0.037 0.000 1.383 910 L HN -0.025 nan 8.230 nan 0.000 0.582 911 T N -1.974 112.664 114.554 0.141 0.000 2.833 911 T HA -0.093 4.273 4.350 0.026 0.000 0.269 911 T C 1.804 176.605 174.700 0.168 0.000 1.054 911 T CA 1.356 63.570 62.100 0.190 0.000 1.135 911 T CB -0.373 68.644 68.868 0.249 0.000 0.869 911 T HN 0.381 nan 8.240 nan 0.000 0.466 912 A N 1.339 124.263 122.820 0.172 0.000 2.168 912 A HA 0.640 4.976 4.320 0.026 0.000 0.215 912 A C 1.499 179.188 177.584 0.176 0.000 1.152 912 A CA 0.479 52.575 52.037 0.097 0.000 0.716 912 A CB -0.834 18.311 19.000 0.241 0.000 0.794 912 A HN 0.854 nan 8.150 nan 0.000 0.465 913 A N -0.992 121.876 122.820 0.080 0.000 2.327 913 A HA 0.503 4.839 4.320 0.026 0.000 0.283 913 A C -0.063 177.546 177.584 0.042 0.000 1.127 913 A CA -0.285 51.760 52.037 0.013 0.000 0.810 913 A CB 0.078 19.070 19.000 -0.014 0.000 1.066 913 A HN 0.410 nan 8.150 nan 0.000 0.492 914 C N 0.939 120.244 119.300 0.009 0.000 2.435 914 C HA 0.591 5.066 4.460 0.026 0.000 0.333 914 C C -0.108 175.018 174.990 0.225 0.000 1.202 914 C CA -0.474 58.608 59.018 0.105 0.000 1.830 914 C CB 0.563 28.378 27.740 0.125 0.000 2.326 914 C HN 0.786 nan 8.230 nan 0.000 0.507 915 F N 3.351 123.188 119.950 -0.188 0.000 2.411 915 F HA 0.587 5.129 4.527 0.026 0.000 0.350 915 F C 0.229 175.749 175.800 -0.467 0.000 1.114 915 F CA 0.970 58.757 58.000 -0.356 0.000 1.135 915 F CB 0.203 38.608 39.000 -0.991 0.000 1.120 915 F HN 0.642 nan 8.300 nan 0.000 0.495 916 D N 3.089 122.947 120.400 -0.904 0.000 2.896 916 D HA 0.092 4.747 4.640 0.026 0.000 0.326 916 D C -1.673 173.634 176.300 -1.656 0.000 1.348 916 D CA -0.783 52.510 54.000 -1.178 0.000 0.746 916 D CB 1.111 41.107 40.800 -1.340 0.000 1.307 916 D HN 0.601 nan 8.370 nan 0.000 0.447 917 R N 0.851 120.506 120.500 -1.409 0.000 2.216 917 R HA 0.504 4.860 4.340 0.026 0.000 0.332 917 R C -1.020 174.452 176.300 -1.380 0.000 1.056 917 R CA -0.238 55.167 56.100 -1.159 0.000 0.901 917 R CB 0.308 30.200 30.300 -0.681 0.000 1.039 917 R HN 0.259 nan 8.270 nan 0.000 0.456 918 W N 3.187 123.925 121.300 -0.937 0.000 2.551 918 W HA 0.373 5.048 4.660 0.026 0.000 0.330 918 W C -0.383 175.834 176.519 -0.503 0.000 1.063 918 W CA -0.681 56.122 57.345 -0.903 0.000 1.222 918 W CB 1.468 29.994 29.460 -1.555 0.000 1.349 918 W HN 0.359 nan 8.180 nan 0.000 0.536 919 D N 3.101 123.525 120.400 0.040 0.000 2.736 919 D HA 0.514 5.170 4.640 0.026 0.000 0.243 919 D C -1.578 174.822 176.300 0.166 0.000 1.304 919 D CA -0.258 53.813 54.000 0.119 0.000 0.934 919 D CB 1.116 41.943 40.800 0.045 0.000 1.382 919 D HN 0.420 nan 8.370 nan 0.000 0.571 920 L N 2.090 123.455 121.223 0.237 0.000 2.540 920 L HA 0.610 4.966 4.340 0.026 0.000 0.256 920 L C -2.638 174.338 176.870 0.177 0.000 1.001 920 L CA -1.981 52.971 54.840 0.187 0.000 0.843 920 L CB 1.683 43.850 42.059 0.181 0.000 1.436 920 L HN 0.064 nan 8.230 nan 0.000 0.410 921 P HA 0.061 nan 4.420 nan 0.000 0.269 921 P C 0.751 178.119 177.300 0.114 0.000 1.209 921 P CA -0.274 62.894 63.100 0.114 0.000 0.776 921 P CB 0.818 32.568 31.700 0.083 0.000 0.876 922 L N 3.480 124.774 121.223 0.120 0.000 2.089 922 L HA -0.249 4.106 4.340 0.026 0.000 0.213 922 L C 2.393 179.309 176.870 0.077 0.000 1.079 922 L CA 2.583 57.478 54.840 0.092 0.000 0.758 922 L CB -1.300 40.825 42.059 0.110 0.000 0.891 922 L HN 0.484 nan 8.230 nan 0.000 0.433 923 S N -1.436 114.312 115.700 0.081 0.000 2.440 923 S HA -0.192 4.293 4.470 0.026 0.000 0.238 923 S C 1.459 176.122 174.600 0.105 0.000 1.010 923 S CA 1.632 59.889 58.200 0.095 0.000 0.972 923 S CB -0.531 62.714 63.200 0.074 0.000 0.774 923 S HN 0.600 nan 8.310 nan 0.000 0.501 924 D N 0.348 120.790 120.400 0.070 0.000 2.349 924 D HA 0.227 4.883 4.640 0.026 0.000 0.214 924 D C 1.142 177.435 176.300 -0.012 0.000 1.063 924 D CA 0.318 54.337 54.000 0.031 0.000 0.847 924 D CB 0.144 40.966 40.800 0.036 0.000 0.933 924 D HN 0.418 nan 8.370 nan 0.000 0.513 925 M N -0.294 119.307 119.600 0.001 0.000 2.431 925 M HA 0.125 4.620 4.480 0.026 0.000 0.237 925 M C -0.263 176.023 176.300 -0.023 0.000 1.130 925 M CA -0.036 55.219 55.300 -0.075 0.000 1.002 925 M CB -0.489 32.060 32.600 -0.086 0.000 1.524 925 M HN -0.032 nan 8.290 nan 0.000 0.482 926 Y N 0.059 120.307 120.300 -0.087 0.000 2.391 926 Y HA 0.468 5.034 4.550 0.026 0.000 0.341 926 Y C -0.880 174.939 175.900 -0.136 0.000 0.965 926 Y CA -0.685 57.371 58.100 -0.072 0.000 1.067 926 Y CB 1.417 39.902 38.460 0.042 0.000 1.199 926 Y HN -0.123 nan 8.280 nan 0.000 0.450 927 T N 9.029 123.023 114.554 -0.934 0.000 2.801 927 T HA 0.257 4.623 4.350 0.026 0.000 0.306 927 T C -2.585 171.233 174.700 -1.470 0.000 1.020 927 T CA -1.523 59.946 62.100 -1.051 0.000 0.948 927 T CB 0.912 69.293 68.868 -0.812 0.000 0.962 927 T HN 0.457 nan 8.240 nan 0.000 0.465 928 P HA 0.031 nan 4.420 nan 0.000 0.246 928 P C -0.477 176.658 177.300 -0.275 0.000 1.675 928 P CA -0.253 62.443 63.100 -0.673 0.000 0.908 928 P CB -0.960 30.541 31.700 -0.332 0.000 1.890 929 Y N -0.631 119.554 120.300 -0.192 0.000 2.717 929 Y HA -0.105 4.461 4.550 0.026 0.000 0.330 929 Y C 2.268 178.189 175.900 0.034 0.000 1.217 929 Y CA -0.522 57.533 58.100 -0.075 0.000 1.506 929 Y CB 0.384 38.747 38.460 -0.161 0.000 1.268 929 Y HN -0.128 nan 8.280 nan 0.000 0.561 930 V N 3.723 123.824 119.914 0.310 0.000 2.282 930 V HA -0.319 3.817 4.120 0.026 0.000 0.249 930 V C 0.612 176.860 176.094 0.256 0.000 1.057 930 V CA 1.580 64.044 62.300 0.274 0.000 1.032 930 V CB -0.501 31.513 31.823 0.318 0.000 0.645 930 V HN 0.620 nan 8.190 nan 0.000 0.447 931 F N 3.556 123.566 119.950 0.099 0.000 2.334 931 F HA 0.489 5.032 4.527 0.026 0.000 0.365 931 F C -2.267 173.546 175.800 0.021 0.000 1.124 931 F CA -3.524 54.496 58.000 0.033 0.000 1.166 931 F CB 0.413 39.364 39.000 -0.081 0.000 1.355 931 F HN 0.029 nan 8.300 nan 0.000 0.532 932 P HA 0.114 nan 4.420 nan 0.000 0.264 932 P C -0.712 176.256 177.300 -0.553 0.000 1.179 932 P CA 0.387 63.245 63.100 -0.403 0.000 0.763 932 P CB 1.011 32.507 31.700 -0.339 0.000 0.806 933 S N 0.178 115.741 115.700 -0.228 0.000 2.714 933 S HA 0.421 4.906 4.470 0.026 0.000 0.280 933 S C -0.907 173.666 174.600 -0.045 0.000 1.200 933 S CA -0.940 57.176 58.200 -0.141 0.000 0.900 933 S CB 0.508 63.658 63.200 -0.083 0.000 1.235 933 S HN 0.376 nan 8.310 nan 0.000 0.512 934 E N 1.103 121.294 120.200 -0.015 0.000 2.373 934 E HA 0.524 4.889 4.350 0.026 0.000 0.267 934 E C -0.251 176.381 176.600 0.055 0.000 1.032 934 E CA 0.229 56.642 56.400 0.021 0.000 0.889 934 E CB 0.200 29.938 29.700 0.063 0.000 0.984 934 E HN 0.804 nan 8.360 nan 0.000 0.425 935 N N 1.307 120.062 118.700 0.092 0.000 3.046 935 N HA 0.531 5.286 4.740 0.026 0.000 0.243 935 N C 0.186 175.707 175.510 0.018 0.000 1.452 935 N CA -0.538 52.600 53.050 0.147 0.000 0.882 935 N CB 1.144 39.691 38.487 0.100 0.000 1.425 935 N HN 0.715 nan 8.380 nan 0.000 0.517 936 G N -1.242 107.526 108.800 -0.053 0.000 2.213 936 G HA2 -0.230 3.746 3.960 0.026 0.000 0.236 936 G HA3 -0.230 3.746 3.960 0.026 0.000 0.236 936 G C -0.250 174.367 174.900 -0.472 0.000 0.991 936 G CA 0.063 45.019 45.100 -0.240 0.000 0.629 936 G HN 0.734 nan 8.290 nan 0.000 0.517 937 L N 1.897 122.783 121.223 -0.563 0.000 2.578 937 L HA 0.450 4.805 4.340 0.026 0.000 0.279 937 L C 0.363 176.642 176.870 -0.984 0.000 1.227 937 L CA 0.311 54.566 54.840 -0.976 0.000 0.900 937 L CB 0.308 41.441 42.059 -1.543 0.000 1.144 937 L HN 0.185 nan 8.230 nan 0.000 0.496 938 R N 4.545 124.374 120.500 -1.118 0.000 2.310 938 R HA 0.387 4.743 4.340 0.026 0.000 0.324 938 R C -0.505 175.431 176.300 -0.606 0.000 0.955 938 R CA -0.554 55.031 56.100 -0.859 0.000 0.830 938 R CB 0.687 30.341 30.300 -1.076 0.000 1.154 938 R HN 0.724 nan 8.270 nan 0.000 0.458 939 C N -0.493 118.584 119.300 -0.372 0.000 2.517 939 C HA 0.592 5.068 4.460 0.026 0.000 0.357 939 C C 1.572 176.517 174.990 -0.074 0.000 1.485 939 C CA -0.183 58.693 59.018 -0.237 0.000 2.148 939 C CB 0.082 27.717 27.740 -0.175 0.000 2.019 939 C HN 1.009 nan 8.230 nan 0.000 0.576 940 G N 1.136 109.921 108.800 -0.026 0.000 2.390 940 G HA2 -0.189 3.787 3.960 0.026 0.000 0.299 940 G HA3 -0.189 3.787 3.960 0.026 0.000 0.299 940 G C -0.045 174.906 174.900 0.085 0.000 1.002 940 G CA 0.618 45.766 45.100 0.080 0.000 0.979 940 G HN 0.856 nan 8.290 nan 0.000 0.513 941 T N 0.012 114.467 114.554 -0.165 0.000 2.817 941 T HA 0.454 4.820 4.350 0.026 0.000 0.293 941 T C 1.473 175.896 174.700 -0.462 0.000 0.964 941 T CA -0.417 61.500 62.100 -0.305 0.000 1.085 941 T CB 1.097 69.675 68.868 -0.483 0.000 0.921 941 T HN 0.307 nan 8.240 nan 0.000 0.502 942 R N 1.697 122.156 120.500 -0.068 0.000 2.307 942 R HA 0.288 4.644 4.340 0.026 0.000 0.200 942 R C 0.423 176.869 176.300 0.243 0.000 0.893 942 R CA 0.147 56.331 56.100 0.140 0.000 1.042 942 R CB 0.776 31.220 30.300 0.239 0.000 1.059 942 R HN 0.650 nan 8.270 nan 0.000 0.530 943 E N 0.782 121.105 120.200 0.204 0.000 2.388 943 E HA 0.253 4.619 4.350 0.026 0.000 0.289 943 E C -2.037 174.735 176.600 0.287 0.000 0.944 943 E CA -0.553 56.011 56.400 0.273 0.000 0.792 943 E CB 1.561 31.363 29.700 0.169 0.000 1.239 943 E HN -0.080 nan 8.360 nan 0.000 0.412 944 L N 4.091 125.525 121.223 0.352 0.000 2.438 944 L HA 0.596 4.952 4.340 0.026 0.000 0.270 944 L C -1.948 175.166 176.870 0.407 0.000 0.972 944 L CA -0.418 54.571 54.840 0.248 0.000 0.831 944 L CB 1.807 43.777 42.059 -0.150 0.000 1.273 944 L HN 0.418 nan 8.230 nan 0.000 0.405 945 N N 4.430 123.335 118.700 0.342 0.000 2.479 945 N HA 0.330 5.085 4.740 0.026 0.000 0.261 945 N C -1.969 173.817 175.510 0.460 0.000 0.979 945 N CA -0.211 53.057 53.050 0.364 0.000 0.930 945 N CB 1.729 40.352 38.487 0.226 0.000 1.172 945 N HN 0.574 nan 8.380 nan 0.000 0.499 946 Y N 1.447 121.997 120.300 0.417 0.000 2.373 946 Y HA 0.447 5.012 4.550 0.026 0.000 0.336 946 Y C 1.062 177.143 175.900 0.302 0.000 0.979 946 Y CA -0.142 58.167 58.100 0.348 0.000 1.080 946 Y CB 1.030 39.736 38.460 0.410 0.000 1.190 946 Y HN 0.795 nan 8.280 nan 0.000 0.446 947 G N 6.535 115.262 108.800 -0.123 0.000 2.690 947 G HA2 -0.349 3.626 3.960 0.026 0.000 0.334 947 G HA3 -0.349 3.626 3.960 0.026 0.000 0.334 947 G C -1.530 173.291 174.900 -0.131 0.000 1.250 947 G CA 0.628 45.610 45.100 -0.197 0.000 0.994 947 G HN 0.551 nan 8.290 nan 0.000 0.549 948 P HA 0.181 nan 4.420 nan 0.000 0.235 948 P C 0.326 177.295 177.300 -0.552 0.000 1.177 948 P CA 1.192 64.030 63.100 -0.437 0.000 0.785 948 P CB 0.040 31.389 31.700 -0.584 0.000 0.885 949 H N -0.431 118.575 119.070 -0.107 0.000 2.496 949 H HA 0.581 5.153 4.556 0.026 0.000 0.342 949 H C 0.351 175.408 175.328 -0.452 0.000 1.170 949 H CA -0.579 55.244 56.048 -0.375 0.000 1.274 949 H CB 0.831 30.082 29.762 -0.851 0.000 1.538 949 H HN -0.092 nan 8.280 nan 0.000 0.542 950 Q N 2.248 121.785 119.800 -0.438 0.000 2.275 950 Q HA 0.204 4.559 4.340 0.026 0.000 0.258 950 Q C -1.889 173.935 176.000 -0.293 0.000 0.960 950 Q CA -0.731 54.968 55.803 -0.174 0.000 0.801 950 Q CB 1.544 30.292 28.738 0.017 0.000 1.302 950 Q HN 0.652 nan 8.270 nan 0.000 0.433 951 W N 4.070 125.312 121.300 -0.096 0.000 2.520 951 W HA 0.585 5.260 4.660 0.026 0.000 0.323 951 W C 0.046 176.543 176.519 -0.037 0.000 1.062 951 W CA -0.835 56.380 57.345 -0.217 0.000 1.215 951 W CB 1.818 30.952 29.460 -0.543 0.000 1.340 951 W HN 0.507 nan 8.180 nan 0.000 0.516 952 R N 0.903 121.528 120.500 0.209 0.000 2.750 952 R HA 0.775 5.130 4.340 0.026 0.000 0.281 952 R C 0.079 176.554 176.300 0.290 0.000 0.972 952 R CA -0.601 55.668 56.100 0.283 0.000 0.912 952 R CB 2.240 32.661 30.300 0.201 0.000 1.187 952 R HN 0.769 nan 8.270 nan 0.000 0.464 953 G N 0.997 110.046 108.800 0.416 0.000 2.320 953 G HA2 -0.101 3.874 3.960 0.026 0.000 0.274 953 G HA3 -0.101 3.874 3.960 0.026 0.000 0.274 953 G C -1.953 173.203 174.900 0.428 0.000 1.324 953 G CA -0.733 44.585 45.100 0.363 0.000 0.957 953 G HN 0.513 nan 8.290 nan 0.000 0.481 954 D N 0.544 121.149 120.400 0.342 0.000 2.441 954 D HA 0.646 5.302 4.640 0.026 0.000 0.231 954 D C -0.631 175.802 176.300 0.222 0.000 1.073 954 D CA -0.254 53.874 54.000 0.212 0.000 0.850 954 D CB 0.586 41.476 40.800 0.151 0.000 1.062 954 D HN 0.616 nan 8.370 nan 0.000 0.524 955 F N 0.517 120.462 119.950 -0.008 0.000 2.713 955 F HA 0.451 4.994 4.527 0.026 0.000 0.311 955 F C -1.116 174.652 175.800 -0.053 0.000 1.141 955 F CA -1.164 56.768 58.000 -0.113 0.000 0.939 955 F CB 0.814 39.729 39.000 -0.141 0.000 1.325 955 F HN -0.076 nan 8.300 nan 0.000 0.453 956 Q N 2.092 121.869 119.800 -0.039 0.000 2.205 956 Q HA 0.717 5.072 4.340 0.026 0.000 0.249 956 Q C -0.982 175.037 176.000 0.032 0.000 0.948 956 Q CA -0.585 55.125 55.803 -0.154 0.000 0.895 956 Q CB 2.453 31.051 28.738 -0.233 0.000 1.249 956 Q HN 0.883 nan 8.270 nan 0.000 0.458 957 F N -1.571 118.200 119.950 -0.299 0.000 2.770 957 F HA 0.635 5.177 4.527 0.026 0.000 0.313 957 F C -1.924 173.644 175.800 -0.387 0.000 1.154 957 F CA -1.101 56.736 58.000 -0.272 0.000 0.923 957 F CB 1.488 40.399 39.000 -0.148 0.000 1.301 957 F HN 0.550 nan 8.300 nan 0.000 0.449 958 N N 2.496 121.028 118.700 -0.281 0.000 2.324 958 N HA 0.560 5.315 4.740 0.026 0.000 0.285 958 N C -2.312 173.148 175.510 -0.083 0.000 1.076 958 N CA -0.552 52.291 53.050 -0.346 0.000 0.864 958 N CB 2.406 40.670 38.487 -0.372 0.000 1.632 958 N HN 1.118 nan 8.380 nan 0.000 0.478 959 I N 1.322 121.835 120.570 -0.095 0.000 2.512 959 I HA 0.582 4.767 4.170 0.026 0.000 0.287 959 I C -1.029 175.027 176.117 -0.101 0.000 1.069 959 I CA -0.036 61.190 61.300 -0.123 0.000 1.056 959 I CB 1.373 39.231 38.000 -0.235 0.000 1.229 959 I HN 0.937 nan 8.210 nan 0.000 0.429 960 S N 6.714 122.392 115.700 -0.037 0.000 2.800 960 S HA 0.568 5.054 4.470 0.026 0.000 0.293 960 S C -0.137 174.458 174.600 -0.008 0.000 1.209 960 S CA -0.973 57.232 58.200 0.008 0.000 0.884 960 S CB 1.616 64.900 63.200 0.139 0.000 1.244 960 S HN 0.596 nan 8.310 nan 0.000 0.540 961 R N -0.306 120.078 120.500 -0.192 0.000 2.468 961 R HA 0.347 4.703 4.340 0.026 0.000 0.280 961 R C -1.200 174.807 176.300 -0.489 0.000 0.963 961 R CA 0.137 56.027 56.100 -0.350 0.000 1.083 961 R CB -0.627 29.326 30.300 -0.579 0.000 1.200 961 R HN 0.637 nan 8.270 nan 0.000 0.541 962 Y N -0.004 120.337 120.300 0.067 0.000 2.376 962 Y HA 0.259 4.824 4.550 0.026 0.000 0.340 962 Y C 0.728 176.398 175.900 -0.383 0.000 0.965 962 Y CA -1.043 57.008 58.100 -0.081 0.000 1.078 962 Y CB 1.484 39.864 38.460 -0.133 0.000 1.193 962 Y HN -0.102 nan 8.280 nan 0.000 0.452 963 S N 1.287 116.678 115.700 -0.516 0.000 2.600 963 S HA 0.074 4.559 4.470 0.026 0.000 0.265 963 S C 0.862 175.147 174.600 -0.525 0.000 1.325 963 S CA -0.812 56.727 58.200 -1.102 0.000 1.002 963 S CB 1.071 63.630 63.200 -1.069 0.000 0.921 963 S HN 0.699 nan 8.310 nan 0.000 0.554 964 Q N 0.370 119.858 119.800 -0.520 0.000 2.119 964 Q HA -0.136 4.220 4.340 0.026 0.000 0.201 964 Q C 2.219 178.104 176.000 -0.193 0.000 0.972 964 Q CA 1.415 57.061 55.803 -0.262 0.000 0.847 964 Q CB -0.521 28.097 28.738 -0.200 0.000 0.903 964 Q HN 0.863 nan 8.270 nan 0.000 0.433 965 Q N 0.712 120.377 119.800 -0.225 0.000 2.050 965 Q HA -0.199 4.157 4.340 0.026 0.000 0.202 965 Q C 2.035 177.958 176.000 -0.129 0.000 0.980 965 Q CA 1.401 57.120 55.803 -0.139 0.000 0.840 965 Q CB -0.013 28.657 28.738 -0.114 0.000 0.898 965 Q HN 0.429 nan 8.270 nan 0.000 0.424 966 Q N 0.082 119.790 119.800 -0.153 0.000 2.077 966 Q HA -0.176 4.179 4.340 0.026 0.000 0.206 966 Q C 2.373 178.300 176.000 -0.121 0.000 0.989 966 Q CA 1.387 57.131 55.803 -0.098 0.000 0.853 966 Q CB -0.137 28.575 28.738 -0.043 0.000 0.907 966 Q HN 0.446 nan 8.270 nan 0.000 0.418 967 L N 0.003 121.140 121.223 -0.144 0.000 2.042 967 L HA -0.205 4.150 4.340 0.026 0.000 0.210 967 L C 2.626 179.378 176.870 -0.196 0.000 1.076 967 L CA 1.201 55.939 54.840 -0.169 0.000 0.749 967 L CB -0.249 41.727 42.059 -0.138 0.000 0.893 967 L HN 0.404 nan 8.230 nan 0.000 0.432 968 M N -0.889 118.621 119.600 -0.149 0.000 2.562 968 M HA -0.130 4.365 4.480 0.026 0.000 0.257 968 M C 1.319 177.552 176.300 -0.111 0.000 1.099 968 M CA 1.413 56.636 55.300 -0.129 0.000 1.099 968 M CB 0.178 32.717 32.600 -0.102 0.000 1.427 968 M HN 0.153 nan 8.290 nan 0.000 0.489 969 E N -0.760 119.377 120.200 -0.105 0.000 2.511 969 E HA 0.100 4.466 4.350 0.026 0.000 0.209 969 E C -0.474 176.092 176.600 -0.057 0.000 0.986 969 E CA -0.001 56.360 56.400 -0.063 0.000 0.974 969 E CB 0.811 30.483 29.700 -0.047 0.000 1.030 969 E HN 0.292 nan 8.360 nan 0.000 0.490 970 T N 0.486 114.974 114.554 -0.109 0.000 2.749 970 T HA 0.081 4.447 4.350 0.026 0.000 0.287 970 T C 1.163 175.806 174.700 -0.096 0.000 0.970 970 T CA -0.365 61.673 62.100 -0.105 0.000 0.980 970 T CB 1.623 70.395 68.868 -0.161 0.000 0.924 970 T HN 0.023 nan 8.240 nan 0.000 0.456 971 S N 2.216 117.966 115.700 0.083 0.000 2.425 971 S HA 0.013 4.498 4.470 0.026 0.000 0.225 971 S C 0.365 175.118 174.600 0.255 0.000 1.024 971 S CA 0.447 58.820 58.200 0.289 0.000 0.951 971 S CB -0.274 63.193 63.200 0.444 0.000 0.796 971 S HN 0.748 nan 8.310 nan 0.000 0.498 972 H N 0.316 119.451 119.070 0.109 0.000 2.690 972 H HA 0.608 5.180 4.556 0.026 0.000 0.368 972 H C 0.856 176.231 175.328 0.079 0.000 1.150 972 H CA -0.743 55.424 56.048 0.199 0.000 1.174 972 H CB 1.572 31.557 29.762 0.372 0.000 1.684 972 H HN 0.204 nan 8.280 nan 0.000 0.538 973 R N 0.771 121.429 120.500 0.264 0.000 2.148 973 R HA -0.109 4.247 4.340 0.026 0.000 0.223 973 R C 1.345 177.692 176.300 0.077 0.000 1.088 973 R CA 1.495 57.660 56.100 0.108 0.000 0.985 973 R CB -0.459 29.916 30.300 0.125 0.000 0.880 973 R HN 0.721 nan 8.270 nan 0.000 0.451 974 H N 1.138 120.246 119.070 0.062 0.000 2.545 974 H HA 0.023 4.594 4.556 0.026 0.000 0.282 974 H C 1.222 176.480 175.328 -0.117 0.000 1.020 974 H CA 0.866 56.919 56.048 0.008 0.000 1.243 974 H CB -0.092 29.728 29.762 0.097 0.000 1.377 974 H HN 0.342 nan 8.280 nan 0.000 0.581 975 L N 0.639 121.572 121.223 -0.483 0.000 2.607 975 L HA 0.249 4.604 4.340 0.026 0.000 0.228 975 L C 0.398 176.812 176.870 -0.760 0.000 1.123 975 L CA -0.174 54.311 54.840 -0.591 0.000 0.890 975 L CB 0.228 41.993 42.059 -0.490 0.000 1.103 975 L HN 0.021 nan 8.230 nan 0.000 0.468 976 L N -0.337 120.544 121.223 -0.571 0.000 2.371 976 L HA 0.215 4.570 4.340 0.026 0.000 0.272 976 L C -0.403 176.177 176.870 -0.482 0.000 1.124 976 L CA -0.160 54.374 54.840 -0.510 0.000 0.816 976 L CB 0.616 42.366 42.059 -0.515 0.000 1.129 976 L HN 0.101 nan 8.230 nan 0.000 0.448 977 H N 1.132 120.293 119.070 0.152 0.000 2.495 977 H HA 0.542 5.114 4.556 0.026 0.000 0.348 977 H C -0.109 175.300 175.328 0.135 0.000 1.113 977 H CA -0.891 55.235 56.048 0.131 0.000 1.195 977 H CB 1.518 31.300 29.762 0.035 0.000 1.521 977 H HN 0.752 nan 8.280 nan 0.000 0.509 978 A N 3.167 126.047 122.820 0.100 0.000 2.511 978 A HA 0.072 4.408 4.320 0.026 0.000 0.242 978 A C 0.282 177.821 177.584 -0.074 0.000 1.069 978 A CA -0.335 51.556 52.037 -0.243 0.000 0.763 978 A CB 0.081 18.938 19.000 -0.239 0.000 1.001 978 A HN 0.816 nan 8.150 nan 0.000 0.498 979 E N 1.504 121.660 120.200 -0.073 0.000 2.359 979 E HA 0.142 4.507 4.350 0.026 0.000 0.255 979 E C 0.500 177.100 176.600 -0.000 0.000 1.191 979 E CA -0.671 55.761 56.400 0.053 0.000 0.952 979 E CB 0.604 30.447 29.700 0.238 0.000 1.152 979 E HN 0.801 nan 8.360 nan 0.000 0.496 980 E N 0.364 120.564 120.200 -0.000 0.000 2.037 980 E HA -0.249 4.117 4.350 0.026 0.000 0.214 980 E C 1.163 177.710 176.600 -0.088 0.000 1.041 980 E CA 1.872 58.239 56.400 -0.054 0.000 0.872 980 E CB -0.202 29.467 29.700 -0.052 0.000 0.785 980 E HN 0.559 nan 8.360 nan 0.000 0.476 981 G N -1.443 107.262 108.800 -0.159 0.000 3.392 981 G HA2 0.259 4.234 3.960 0.026 0.000 0.188 981 G HA3 0.259 4.234 3.960 0.026 0.000 0.188 981 G C -0.609 174.221 174.900 -0.116 0.000 1.485 981 G CA -0.026 44.990 45.100 -0.139 0.000 0.943 981 G HN 0.195 nan 8.290 nan 0.000 0.627 982 T N 0.225 114.705 114.554 -0.124 0.000 2.840 982 T HA 0.358 4.724 4.350 0.026 0.000 0.287 982 T C -1.572 173.039 174.700 -0.148 0.000 0.991 982 T CA -0.160 61.911 62.100 -0.048 0.000 0.964 982 T CB 1.544 70.497 68.868 0.141 0.000 0.954 982 T HN 0.339 nan 8.240 nan 0.000 0.438 983 W N 3.365 124.608 121.300 -0.094 0.000 2.322 983 W HA 0.620 5.296 4.660 0.026 0.000 0.307 983 W C -0.223 176.204 176.519 -0.154 0.000 1.220 983 W CA -0.773 56.512 57.345 -0.101 0.000 1.210 983 W CB 0.804 30.214 29.460 -0.083 0.000 1.223 983 W HN 0.466 nan 8.180 nan 0.000 0.511 984 L N 5.350 126.630 121.223 0.095 0.000 2.381 984 L HA 0.546 4.902 4.340 0.026 0.000 0.274 984 L C -1.035 175.791 176.870 -0.074 0.000 0.988 984 L CA -0.419 54.364 54.840 -0.094 0.000 0.824 984 L CB 1.002 42.862 42.059 -0.331 0.000 1.263 984 L HN 0.326 nan 8.230 nan 0.000 0.410 985 N N 6.895 125.538 118.700 -0.095 0.000 2.392 985 N HA 0.496 5.252 4.740 0.026 0.000 0.283 985 N C -1.206 174.222 175.510 -0.138 0.000 1.003 985 N CA -0.291 52.691 53.050 -0.113 0.000 0.892 985 N CB 2.467 40.895 38.487 -0.099 0.000 1.193 985 N HN 0.582 nan 8.380 nan 0.000 0.487 986 I N 1.916 122.374 120.570 -0.186 0.000 2.437 986 I HA 0.168 4.354 4.170 0.026 0.000 0.279 986 I C -0.729 175.266 176.117 -0.203 0.000 1.028 986 I CA -0.611 60.578 61.300 -0.184 0.000 1.142 986 I CB 1.329 39.081 38.000 -0.412 0.000 1.266 986 I HN 0.198 nan 8.210 nan 0.000 0.461 987 D N 4.396 124.700 120.400 -0.160 0.000 2.177 987 D HA 0.260 4.916 4.640 0.026 0.000 0.247 987 D C 0.950 176.967 176.300 -0.471 0.000 1.063 987 D CA -0.059 53.764 54.000 -0.296 0.000 0.867 987 D CB 2.516 43.238 40.800 -0.130 0.000 1.168 987 D HN 0.662 nan 8.370 nan 0.000 0.445 988 G N 1.399 109.604 108.800 -0.992 0.000 2.411 988 G HA2 0.018 3.993 3.960 0.026 0.000 0.213 988 G HA3 0.018 3.993 3.960 0.026 0.000 0.213 988 G C 0.159 174.342 174.900 -1.195 0.000 1.166 988 G CA 0.337 44.575 45.100 -1.438 0.000 0.802 988 G HN 0.416 nan 8.290 nan 0.000 0.533 989 F N -1.282 118.452 119.950 -0.360 0.000 2.576 989 F HA 0.559 5.101 4.527 0.026 0.000 0.313 989 F C -0.534 175.160 175.800 -0.177 0.000 1.078 989 F CA -1.175 56.687 58.000 -0.231 0.000 0.921 989 F CB 2.289 41.075 39.000 -0.356 0.000 1.232 989 F HN -0.061 nan 8.300 nan 0.000 0.459 990 H N 3.929 123.006 119.070 0.012 0.000 3.096 990 H HA 0.311 4.882 4.556 0.026 0.000 0.335 990 H C -0.812 174.521 175.328 0.008 0.000 0.990 990 H CA -0.807 55.213 56.048 -0.047 0.000 1.393 990 H CB 1.942 31.657 29.762 -0.079 0.000 1.742 990 H HN 0.903 nan 8.280 nan 0.000 0.501 991 M N 3.575 123.042 119.600 -0.221 0.000 2.246 991 M HA 0.243 4.738 4.480 0.026 0.000 0.327 991 M C 0.300 176.669 176.300 0.114 0.000 1.090 991 M CA 0.772 56.046 55.300 -0.044 0.000 1.087 991 M CB 0.472 32.983 32.600 -0.149 0.000 1.587 991 M HN 0.590 nan 8.290 nan 0.000 0.444 992 G N 2.851 111.729 108.800 0.129 0.000 2.716 992 G HA2 0.329 4.305 3.960 0.026 0.000 0.251 992 G HA3 0.329 4.305 3.960 0.026 0.000 0.251 992 G C 0.658 175.543 174.900 -0.024 0.000 1.224 992 G CA -0.348 44.768 45.100 0.025 0.000 0.891 992 G HN 1.067 nan 8.290 nan 0.000 0.561 993 I N -1.907 118.600 120.570 -0.107 0.000 3.030 993 I HA 0.398 4.583 4.170 0.026 0.000 0.270 993 I C 1.165 177.230 176.117 -0.087 0.000 1.211 993 I CA 0.495 61.698 61.300 -0.161 0.000 1.479 993 I CB -0.717 37.090 38.000 -0.322 0.000 1.105 993 I HN 0.956 nan 8.210 nan 0.000 0.447 994 G N 0.893 109.677 108.800 -0.026 0.000 2.741 994 G HA2 0.119 4.095 3.960 0.026 0.000 0.222 994 G HA3 0.119 4.095 3.960 0.026 0.000 0.222 994 G C 0.356 175.267 174.900 0.019 0.000 1.364 994 G CA -0.160 44.959 45.100 0.031 0.000 0.866 994 G HN 1.133 nan 8.290 nan 0.000 0.555 995 G N -2.224 106.603 108.800 0.045 0.000 3.505 995 G HA2 0.032 4.007 3.960 0.026 0.000 0.210 995 G HA3 0.032 4.007 3.960 0.026 0.000 0.210 995 G C 0.820 175.790 174.900 0.116 0.000 1.047 995 G CA 0.850 45.992 45.100 0.071 0.000 0.884 995 G HN 1.182 nan 8.290 nan 0.000 0.434 996 D N 1.626 122.120 120.400 0.157 0.000 2.286 996 D HA 0.025 4.680 4.640 0.026 0.000 0.195 996 D C 0.820 177.154 176.300 0.057 0.000 1.012 996 D CA 2.157 56.286 54.000 0.214 0.000 0.901 996 D CB -0.151 40.781 40.800 0.219 0.000 0.903 996 D HN 0.853 nan 8.370 nan 0.000 0.451 997 D N -3.752 116.509 120.400 -0.232 0.000 2.694 997 D HA 0.360 5.016 4.640 0.026 0.000 0.260 997 D C -1.282 174.637 176.300 -0.635 0.000 1.250 997 D CA -0.852 52.632 54.000 -0.860 0.000 0.763 997 D CB 0.896 40.760 40.800 -1.559 0.000 1.311 997 D HN -0.228 nan 8.370 nan 0.000 0.420 998 S N 0.379 115.620 115.700 -0.765 0.000 2.256 998 S HA 0.398 4.883 4.470 0.026 0.000 0.210 998 S C -0.928 173.726 174.600 0.089 0.000 1.329 998 S CA -0.845 57.266 58.200 -0.147 0.000 1.267 998 S CB -0.820 62.482 63.200 0.171 0.000 1.086 998 S HN 0.694 nan 8.310 nan 0.000 0.468 999 W N -0.001 121.282 121.300 -0.029 0.000 0.789 999 W HA 0.501 5.175 4.660 0.024 0.000 0.159 999 W C -0.342 176.139 176.519 -0.064 0.000 0.670 999 W CA -0.268 57.048 57.345 -0.047 0.000 0.759 999 W CB -0.766 28.613 29.460 -0.135 0.000 0.748 999 W HN 0.382 nan 8.180 nan 0.000 0.369 1000 S N -1.236 114.427 115.700 -0.063 0.000 2.627 1000 S HA 0.612 5.097 4.470 0.026 0.000 0.268 1000 S C -3.229 171.330 174.600 -0.068 0.000 1.130 1000 S CA -1.224 56.944 58.200 -0.054 0.000 0.819 1000 S CB 1.179 64.366 63.200 -0.021 0.000 1.100 1000 S HN -0.187 nan 8.310 nan 0.000 0.465 1001 P HA 0.261 nan 4.420 nan 0.000 0.267 1001 P C 0.111 177.442 177.300 0.053 0.000 1.209 1001 P CA 0.036 63.147 63.100 0.018 0.000 0.763 1001 P CB 0.775 32.402 31.700 -0.122 0.000 0.816 1002 S N 1.339 117.103 115.700 0.106 0.000 2.902 1002 S HA 0.225 4.711 4.470 0.026 0.000 0.250 1002 S C -0.191 174.500 174.600 0.152 0.000 1.046 1002 S CA -0.445 57.808 58.200 0.089 0.000 1.069 1002 S CB -0.393 62.818 63.200 0.019 0.000 0.967 1002 S HN 0.082 nan 8.310 nan 0.000 0.530 1003 V N 2.393 122.446 119.914 0.231 0.000 2.318 1003 V HA 0.427 4.563 4.120 0.026 0.000 0.271 1003 V C 0.459 176.730 176.094 0.294 0.000 1.030 1003 V CA -0.363 62.100 62.300 0.271 0.000 0.844 1003 V CB 0.906 32.895 31.823 0.276 0.000 1.015 1003 V HN 0.554 nan 8.190 nan 0.000 0.460 1004 S N 3.455 119.350 115.700 0.326 0.000 2.573 1004 S HA 0.274 4.759 4.470 0.026 0.000 0.277 1004 S C 1.637 176.357 174.600 0.199 0.000 1.346 1004 S CA 0.188 58.539 58.200 0.251 0.000 1.034 1004 S CB 1.372 64.727 63.200 0.258 0.000 0.879 1004 S HN 0.976 nan 8.310 nan 0.000 0.528 1005 A N 2.765 125.645 122.820 0.100 0.000 1.948 1005 A HA -0.198 4.137 4.320 0.026 0.000 0.220 1005 A C 1.766 179.314 177.584 -0.060 0.000 1.177 1005 A CA 2.054 54.128 52.037 0.061 0.000 0.636 1005 A CB -0.753 18.271 19.000 0.041 0.000 0.815 1005 A HN 0.899 nan 8.150 nan 0.000 0.449 1006 E N -0.829 119.214 120.200 -0.260 0.000 2.204 1006 E HA -0.122 4.244 4.350 0.026 0.000 0.195 1006 E C 0.707 176.954 176.600 -0.588 0.000 0.990 1006 E CA 1.141 57.232 56.400 -0.515 0.000 0.821 1006 E CB -0.358 28.854 29.700 -0.813 0.000 0.750 1006 E HN 0.777 nan 8.360 nan 0.000 0.477 1007 F N 0.965 120.956 119.950 0.068 0.000 2.730 1007 F HA 0.248 4.790 4.527 0.025 0.000 0.295 1007 F C 0.395 176.222 175.800 0.045 0.000 1.143 1007 F CA -0.474 57.565 58.000 0.064 0.000 1.367 1007 F CB 0.267 39.312 39.000 0.075 0.000 0.970 1007 F HN -0.172 nan 8.300 nan 0.000 0.514 1008 Q N 0.990 120.879 119.800 0.148 0.000 2.309 1008 Q HA 0.419 4.775 4.340 0.026 0.000 0.264 1008 Q C -0.106 175.885 176.000 -0.014 0.000 1.008 1008 Q CA -0.752 55.114 55.803 0.105 0.000 0.853 1008 Q CB 2.527 31.396 28.738 0.218 0.000 1.314 1008 Q HN 0.283 nan 8.270 nan 0.000 0.448 1009 L N 2.394 123.582 121.223 -0.059 0.000 2.436 1009 L HA 0.023 4.378 4.340 0.026 0.000 0.244 1009 L C 1.133 177.901 176.870 -0.169 0.000 1.396 1009 L CA 0.128 54.906 54.840 -0.104 0.000 1.217 1009 L CB -0.820 41.108 42.059 -0.217 0.000 1.420 1009 L HN 0.669 nan 8.230 nan 0.000 0.434 1010 S N -0.877 114.680 115.700 -0.238 0.000 2.556 1010 S HA 0.095 4.581 4.470 0.026 0.000 0.216 1010 S C 1.819 176.332 174.600 -0.144 0.000 0.970 1010 S CA 0.253 58.211 58.200 -0.403 0.000 0.912 1010 S CB 0.524 63.548 63.200 -0.294 0.000 0.790 1010 S HN 0.534 nan 8.310 nan 0.000 0.504 1011 A N 1.568 124.313 122.820 -0.125 0.000 1.930 1011 A HA 0.423 4.759 4.320 0.026 0.000 0.217 1011 A C 2.191 179.555 177.584 -0.367 0.000 1.175 1011 A CA 1.366 53.151 52.037 -0.420 0.000 0.627 1011 A CB -1.461 16.998 19.000 -0.902 0.000 0.815 1011 A HN 1.538 nan 8.150 nan 0.000 0.443 1012 G N -2.025 106.637 108.800 -0.231 0.000 2.304 1012 G HA2 -0.291 3.684 3.960 0.026 0.000 0.252 1012 G HA3 -0.291 3.684 3.960 0.026 0.000 0.252 1012 G C 0.478 175.330 174.900 -0.081 0.000 1.014 1012 G CA 0.733 45.817 45.100 -0.027 0.000 0.619 1012 G HN 0.668 nan 8.290 nan 0.000 0.525 1013 R N 0.001 120.288 120.500 -0.354 0.000 2.371 1013 R HA 0.659 5.015 4.340 0.026 0.000 0.312 1013 R C -1.427 174.604 176.300 -0.448 0.000 0.980 1013 R CA -0.425 55.548 56.100 -0.212 0.000 0.867 1013 R CB 0.600 30.821 30.300 -0.131 0.000 1.163 1013 R HN 0.287 nan 8.270 nan 0.000 0.492 1014 Y N 1.652 122.036 120.300 0.139 0.000 2.350 1014 Y HA 0.329 4.895 4.550 0.026 0.000 0.338 1014 Y C -0.144 176.046 175.900 0.484 0.000 0.961 1014 Y CA -0.927 57.330 58.100 0.262 0.000 1.100 1014 Y CB 1.728 40.343 38.460 0.257 0.000 1.179 1014 Y HN 0.526 nan 8.280 nan 0.000 0.454 1015 H N 3.891 123.315 119.070 0.589 0.000 2.495 1015 H HA 0.576 5.148 4.556 0.026 0.000 0.348 1015 H C -1.562 174.038 175.328 0.454 0.000 1.113 1015 H CA -1.071 55.218 56.048 0.402 0.000 1.195 1015 H CB 1.008 30.909 29.762 0.230 0.000 1.521 1015 H HN 0.606 nan 8.280 nan 0.000 0.509 1016 Y N 1.302 121.188 120.300 -0.691 0.000 2.609 1016 Y HA 0.539 5.104 4.550 0.026 0.000 0.336 1016 Y C -2.093 173.497 175.900 -0.515 0.000 1.129 1016 Y CA -0.982 56.791 58.100 -0.546 0.000 1.040 1016 Y CB 1.458 39.681 38.460 -0.395 0.000 1.310 1016 Y HN 0.643 nan 8.280 nan 0.000 0.460 1017 Q N 3.956 123.631 119.800 -0.208 0.000 2.309 1017 Q HA 0.711 5.067 4.340 0.026 0.000 0.273 1017 Q C -1.691 174.308 176.000 -0.002 0.000 1.040 1017 Q CA -1.037 54.681 55.803 -0.143 0.000 0.834 1017 Q CB 3.486 32.201 28.738 -0.038 0.000 1.345 1017 Q HN 0.840 nan 8.270 nan 0.000 0.414 1018 L N -1.824 119.382 121.223 -0.029 0.000 2.424 1018 L HA 0.894 5.249 4.340 0.026 0.000 0.258 1018 L C -0.974 175.923 176.870 0.044 0.000 0.995 1018 L CA -1.282 53.558 54.840 -0.001 0.000 0.821 1018 L CB 1.801 43.789 42.059 -0.118 0.000 1.383 1018 L HN 0.276 nan 8.230 nan 0.000 0.410 1019 V N 1.336 121.301 119.914 0.086 0.000 2.409 1019 V HA 0.403 4.538 4.120 0.026 0.000 0.291 1019 V C -1.068 175.132 176.094 0.176 0.000 1.020 1019 V CA -0.120 62.255 62.300 0.125 0.000 0.848 1019 V CB 1.679 33.566 31.823 0.107 0.000 0.990 1019 V HN 0.706 nan 8.190 nan 0.000 0.430 1020 W N 6.986 128.289 121.300 0.005 0.000 2.469 1020 W HA 0.728 5.404 4.660 0.026 0.000 0.320 1020 W C -0.194 176.298 176.519 -0.045 0.000 1.086 1020 W CA -1.103 56.194 57.345 -0.080 0.000 1.211 1020 W CB 1.415 30.871 29.460 -0.007 0.000 1.298 1020 W HN 0.876 nan 8.180 nan 0.000 0.525 1021 C N 3.132 122.735 119.300 0.505 0.000 3.249 1021 C HA 0.700 5.175 4.460 0.026 0.000 0.350 1021 C C -1.254 173.834 174.990 0.164 0.000 1.431 1021 C CA -0.938 58.237 59.018 0.263 0.000 1.209 1021 C CB 1.467 29.299 27.740 0.153 0.000 1.546 1021 C HN 0.546 nan 8.230 nan 0.000 0.450 1022 Q N 0.677 120.510 119.800 0.056 0.000 2.377 1022 Q HA 0.696 5.051 4.340 0.026 0.000 0.271 1022 Q C -0.623 175.348 176.000 -0.047 0.000 1.077 1022 Q CA -0.338 55.426 55.803 -0.065 0.000 0.820 1022 Q CB 1.526 30.181 28.738 -0.139 0.000 1.347 1022 Q HN 0.653 nan 8.270 nan 0.000 0.444 1023 K N 0.000 120.353 120.400 -0.078 0.000 2.780 1023 K HA 0.000 4.336 4.320 0.026 0.000 0.191 1023 K CA 0.000 56.259 56.287 -0.046 0.000 0.838 1023 K CB 0.000 32.477 32.500 -0.037 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543