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 1bgl_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 0.000 176.134 176.117 0.028 0.000 1.063 3 I CA 0.000 61.318 61.300 0.030 0.000 1.566 3 I CB 0.000 38.009 38.000 0.015 0.000 1.214 4 T N -1.765 112.808 114.554 0.032 0.000 3.035 4 T HA 0.034 4.384 4.350 -0.000 0.000 0.268 4 T C 0.888 175.598 174.700 0.017 0.000 1.109 4 T CA 1.467 63.571 62.100 0.006 0.000 1.119 4 T CB -0.570 68.302 68.868 0.006 0.000 0.900 4 T HN 0.367 nan 8.240 nan 0.000 0.503 5 D N 2.203 122.668 120.400 0.107 0.000 2.328 5 D HA 0.114 4.754 4.640 -0.000 0.000 0.226 5 D C 0.810 177.265 176.300 0.258 0.000 1.066 5 D CA 0.083 54.227 54.000 0.239 0.000 0.861 5 D CB 0.002 41.011 40.800 0.349 0.000 0.912 5 D HN 0.607 nan 8.370 nan 0.000 0.521 6 S N -0.006 115.764 115.700 0.116 0.000 2.565 6 S HA 0.107 4.577 4.470 -0.000 0.000 0.274 6 S C 1.297 175.951 174.600 0.089 0.000 1.309 6 S CA -0.690 57.558 58.200 0.081 0.000 1.043 6 S CB 1.542 64.758 63.200 0.028 0.000 0.939 6 S HN -0.141 nan 8.310 nan 0.000 0.504 7 L N 3.076 124.347 121.223 0.081 0.000 2.089 7 L HA -0.101 4.239 4.340 -0.000 0.000 0.213 7 L C 2.889 179.787 176.870 0.047 0.000 1.079 7 L CA 2.401 57.300 54.840 0.098 0.000 0.758 7 L CB -1.703 40.368 42.059 0.022 0.000 0.891 7 L HN 1.005 nan 8.230 nan 0.000 0.433 8 A N -1.631 121.200 122.820 0.019 0.000 1.978 8 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 8 A C 2.355 179.934 177.584 -0.009 0.000 1.170 8 A CA 1.988 54.030 52.037 0.007 0.000 0.636 8 A CB -0.683 18.317 19.000 -0.001 0.000 0.810 8 A HN 0.252 nan 8.150 nan 0.000 0.448 9 V N -0.745 119.153 119.914 -0.027 0.000 2.300 9 V HA -0.142 3.978 4.120 -0.000 0.000 0.241 9 V C 2.522 178.536 176.094 -0.133 0.000 1.034 9 V CA 1.597 63.854 62.300 -0.071 0.000 1.021 9 V CB -0.630 31.148 31.823 -0.076 0.000 0.662 9 V HN 0.337 nan 8.190 nan 0.000 0.458 10 V N 0.506 120.307 119.914 -0.189 0.000 2.453 10 V HA -0.262 3.858 4.120 -0.000 0.000 0.252 10 V C 2.234 178.192 176.094 -0.227 0.000 1.068 10 V CA 1.776 63.848 62.300 -0.380 0.000 1.070 10 V CB -0.757 30.739 31.823 -0.546 0.000 0.664 10 V HN 0.445 nan 8.190 nan 0.000 0.461 11 L N -0.643 120.560 121.223 -0.034 0.000 2.313 11 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 11 L C 2.556 179.467 176.870 0.067 0.000 1.119 11 L CA 0.910 55.845 54.840 0.158 0.000 0.809 11 L CB -0.613 41.600 42.059 0.256 0.000 0.933 11 L HN 0.338 nan 8.230 nan 0.000 0.449 12 Q N 1.639 121.426 119.800 -0.023 0.000 2.133 12 Q HA -0.242 4.098 4.340 -0.000 0.000 0.208 12 Q C 2.173 178.103 176.000 -0.117 0.000 0.991 12 Q CA 2.090 57.858 55.803 -0.058 0.000 0.867 12 Q CB -0.066 28.633 28.738 -0.065 0.000 0.911 12 Q HN 0.487 nan 8.270 nan 0.000 0.417 13 R N -0.415 119.994 120.500 -0.152 0.000 2.148 13 R HA 0.133 4.472 4.340 -0.000 0.000 0.223 13 R C 0.115 176.233 176.300 -0.304 0.000 1.088 13 R CA 0.695 56.681 56.100 -0.191 0.000 0.985 13 R CB -0.273 29.920 30.300 -0.179 0.000 0.880 13 R HN 0.053 nan 8.270 nan 0.000 0.451 14 R N 1.354 121.579 120.500 -0.459 0.000 3.084 14 R HA -0.135 4.205 4.340 -0.000 0.000 0.258 14 R C -0.861 174.997 176.300 -0.737 0.000 0.914 14 R CA 0.502 55.990 56.100 -1.021 0.000 0.646 14 R CB -1.449 28.354 30.300 -0.829 0.000 1.330 14 R HN 0.437 nan 8.270 nan 0.000 0.465 15 D N -0.080 120.025 120.400 -0.492 0.000 2.348 15 D HA -0.120 4.520 4.640 -0.000 0.000 0.216 15 D C 1.589 177.797 176.300 -0.152 0.000 0.970 15 D CA 1.277 55.060 54.000 -0.362 0.000 0.889 15 D CB -0.046 40.387 40.800 -0.613 0.000 0.912 15 D HN 0.716 nan 8.370 nan 0.000 0.524 16 W N 1.509 122.830 121.300 0.035 0.000 3.180 16 W HA 0.202 4.862 4.660 -0.000 0.000 0.254 16 W C 0.446 177.058 176.519 0.154 0.000 1.318 16 W CA -0.214 57.236 57.345 0.176 0.000 1.608 16 W CB -0.232 29.375 29.460 0.244 0.000 1.124 16 W HN -0.187 nan 8.180 nan 0.000 0.694 17 E N 0.897 120.946 120.200 -0.251 0.000 3.157 17 E HA 0.085 4.435 4.350 -0.000 0.000 0.203 17 E C -0.775 175.698 176.600 -0.212 0.000 0.982 17 E CA -0.245 56.060 56.400 -0.159 0.000 1.217 17 E CB -0.140 29.507 29.700 -0.088 0.000 1.123 17 E HN 0.021 nan 8.360 nan 0.000 0.457 18 N N 1.180 119.773 118.700 -0.178 0.000 2.549 18 N HA 0.177 4.917 4.740 -0.000 0.000 0.290 18 N C -2.432 172.943 175.510 -0.225 0.000 1.122 18 N CA -2.116 50.800 53.050 -0.223 0.000 0.885 18 N CB 1.605 39.972 38.487 -0.200 0.000 1.455 18 N HN -0.220 nan 8.380 nan 0.000 0.521 19 P HA 0.139 nan 4.420 nan 0.000 0.242 19 P C 0.954 178.026 177.300 -0.379 0.000 1.197 19 P CA 0.500 63.288 63.100 -0.520 0.000 0.765 19 P CB 0.208 31.186 31.700 -1.203 0.000 0.936 20 G N -0.697 107.933 108.800 -0.285 0.000 2.662 20 G HA2 0.069 4.029 3.960 -0.000 0.000 0.212 20 G HA3 0.069 4.029 3.960 -0.000 0.000 0.212 20 G C 0.184 175.010 174.900 -0.123 0.000 1.141 20 G CA 0.208 45.187 45.100 -0.203 0.000 0.797 20 G HN 0.174 nan 8.290 nan 0.000 0.531 21 V N 1.745 121.600 119.914 -0.099 0.000 2.326 21 V HA 0.357 4.477 4.120 -0.000 0.000 0.281 21 V C 0.938 177.074 176.094 0.071 0.000 1.015 21 V CA 0.234 62.519 62.300 -0.025 0.000 0.823 21 V CB 1.096 32.880 31.823 -0.066 0.000 1.009 21 V HN 0.321 nan 8.190 nan 0.000 0.436 22 T N 1.021 115.623 114.554 0.080 0.000 2.971 22 T HA 0.277 4.627 4.350 -0.000 0.000 0.252 22 T C 0.342 175.110 174.700 0.113 0.000 1.022 22 T CA 0.279 62.442 62.100 0.105 0.000 0.980 22 T CB 0.450 69.332 68.868 0.024 0.000 1.044 22 T HN 0.641 nan 8.240 nan 0.000 0.501 23 Q N 0.152 120.035 119.800 0.137 0.000 2.626 23 Q HA 0.757 5.097 4.340 -0.000 0.000 0.300 23 Q C -2.072 174.056 176.000 0.214 0.000 0.988 23 Q CA -1.133 54.749 55.803 0.130 0.000 0.761 23 Q CB 1.242 29.981 28.738 0.000 0.000 1.494 23 Q HN 0.081 nan 8.270 nan 0.000 0.439 24 L N 2.505 123.865 121.223 0.227 0.000 2.673 24 L HA 0.463 4.803 4.340 -0.000 0.000 0.255 24 L C -1.402 175.583 176.870 0.193 0.000 1.015 24 L CA 0.192 55.175 54.840 0.238 0.000 0.930 24 L CB 0.835 43.121 42.059 0.379 0.000 1.185 24 L HN 0.819 nan 8.230 nan 0.000 0.457 25 N N 0.917 119.702 118.700 0.141 0.000 2.926 25 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 25 N C 0.232 175.829 175.510 0.146 0.000 1.100 25 N CA 0.677 53.813 53.050 0.144 0.000 0.777 25 N CB -0.742 37.811 38.487 0.110 0.000 1.112 25 N HN 0.642 nan 8.380 nan 0.000 0.552 26 R N 0.848 121.325 120.500 -0.038 0.000 2.428 26 R HA 0.525 4.865 4.340 -0.000 0.000 0.294 26 R C 0.742 176.914 176.300 -0.214 0.000 1.000 26 R CA -0.561 55.306 56.100 -0.389 0.000 0.960 26 R CB 0.789 30.822 30.300 -0.446 0.000 1.076 26 R HN 0.100 nan 8.270 nan 0.000 0.475 27 L N 2.027 123.111 121.223 -0.231 0.000 2.456 27 L HA 0.282 4.621 4.340 -0.000 0.000 0.246 27 L C 0.602 177.439 176.870 -0.056 0.000 1.238 27 L CA -0.458 54.332 54.840 -0.084 0.000 0.826 27 L CB 0.201 42.246 42.059 -0.024 0.000 1.150 27 L HN 0.712 nan 8.230 nan 0.000 0.514 28 A N 0.039 122.871 122.820 0.019 0.000 2.293 28 A HA 0.669 4.989 4.320 -0.000 0.000 0.302 28 A C -0.015 177.638 177.584 0.115 0.000 1.119 28 A CA -0.326 51.736 52.037 0.041 0.000 0.823 28 A CB 0.911 19.945 19.000 0.057 0.000 1.097 28 A HN 0.745 nan 8.150 nan 0.000 0.491 29 A N 0.968 123.806 122.820 0.030 0.000 2.366 29 A HA 0.673 4.993 4.320 -0.000 0.000 0.249 29 A C 0.068 177.669 177.584 0.028 0.000 1.084 29 A CA 0.504 52.505 52.037 -0.060 0.000 0.794 29 A CB -0.145 18.779 19.000 -0.128 0.000 1.034 29 A HN 1.812 nan 8.150 nan 0.000 0.491 30 H N -2.045 116.931 119.070 -0.156 0.000 2.950 30 H HA 0.622 5.178 4.556 -0.000 0.000 0.307 30 H C -3.329 171.745 175.328 -0.424 0.000 1.403 30 H CA -1.770 54.126 56.048 -0.253 0.000 1.145 30 H CB 0.096 29.716 29.762 -0.237 0.000 1.844 30 H HN 0.387 nan 8.280 nan 0.000 0.515 31 P HA 0.180 nan 4.420 nan 0.000 0.282 31 P C -2.566 174.397 177.300 -0.563 0.000 1.286 31 P CA -1.313 61.493 63.100 -0.490 0.000 0.777 31 P CB -0.411 30.929 31.700 -0.599 0.000 1.184 32 P HA 0.253 nan 4.420 nan 0.000 0.281 32 P C -0.987 176.268 177.300 -0.075 0.000 1.252 32 P CA 0.496 63.465 63.100 -0.218 0.000 0.778 32 P CB 0.081 31.751 31.700 -0.050 0.000 0.895 33 F N 1.117 121.177 119.950 0.183 0.000 2.561 33 F HA 0.645 5.172 4.527 -0.000 0.000 0.321 33 F C 0.999 176.777 175.800 -0.036 0.000 1.065 33 F CA -1.059 57.012 58.000 0.118 0.000 0.934 33 F CB 1.419 40.454 39.000 0.059 0.000 1.215 33 F HN 0.320 nan 8.300 nan 0.000 0.471 34 A N 0.233 123.066 122.820 0.022 0.000 2.140 34 A HA 0.384 4.704 4.320 -0.000 0.000 0.199 34 A C 0.636 177.996 177.584 -0.374 0.000 1.416 34 A CA 0.671 52.463 52.037 -0.409 0.000 1.018 34 A CB -0.342 17.840 19.000 -1.362 0.000 1.117 34 A HN 1.188 nan 8.150 nan 0.000 0.480 35 S N -0.114 115.470 115.700 -0.193 0.000 3.727 35 S HA -0.126 4.344 4.470 -0.000 0.000 0.444 35 S C -0.146 174.391 174.600 -0.105 0.000 0.867 35 S CA 0.315 58.442 58.200 -0.122 0.000 1.324 35 S CB -1.927 61.176 63.200 -0.162 0.000 0.890 35 S HN 0.462 nan 8.310 nan 0.000 0.599 36 W N 2.250 123.570 121.300 0.032 0.000 2.079 36 W HA 0.324 4.984 4.660 -0.000 0.000 0.354 36 W C 1.401 177.932 176.519 0.019 0.000 1.302 36 W CA -0.451 56.914 57.345 0.033 0.000 1.281 36 W CB 0.292 29.768 29.460 0.027 0.000 1.165 36 W HN 0.445 nan 8.180 nan 0.000 0.603 37 R N 1.131 121.797 120.500 0.278 0.000 2.572 37 R HA 0.067 4.407 4.340 -0.000 0.000 0.370 37 R C -0.661 175.726 176.300 0.145 0.000 1.005 37 R CA -0.372 55.825 56.100 0.162 0.000 1.146 37 R CB -0.531 29.839 30.300 0.117 0.000 1.390 37 R HN 0.448 nan 8.270 nan 0.000 0.553 38 N N -1.069 117.738 118.700 0.178 0.000 2.493 38 N HA 0.013 4.753 4.740 -0.000 0.000 0.279 38 N C 0.318 175.839 175.510 0.020 0.000 1.082 38 N CA -0.073 53.030 53.050 0.088 0.000 0.963 38 N CB 1.566 40.101 38.487 0.079 0.000 1.627 38 N HN -0.183 nan 8.380 nan 0.000 0.499 39 S N 2.610 118.290 115.700 -0.033 0.000 2.359 39 S HA -0.208 4.262 4.470 -0.000 0.000 0.223 39 S C 1.277 175.748 174.600 -0.215 0.000 1.039 39 S CA 2.042 60.177 58.200 -0.108 0.000 1.042 39 S CB -0.428 62.732 63.200 -0.068 0.000 0.915 39 S HN 0.692 nan 8.310 nan 0.000 0.439 40 E N 0.515 120.607 120.200 -0.180 0.000 2.033 40 E HA -0.206 4.143 4.350 -0.000 0.000 0.199 40 E C 2.193 178.622 176.600 -0.285 0.000 1.011 40 E CA 1.814 58.069 56.400 -0.241 0.000 0.815 40 E CB -0.242 29.356 29.700 -0.170 0.000 0.755 40 E HN 0.679 nan 8.360 nan 0.000 0.451 41 E N 0.031 120.112 120.200 -0.198 0.000 2.108 41 E HA -0.326 4.024 4.350 -0.000 0.000 0.203 41 E C 2.082 178.270 176.600 -0.688 0.000 1.022 41 E CA 1.190 57.457 56.400 -0.223 0.000 0.823 41 E CB -0.313 29.425 29.700 0.063 0.000 0.744 41 E HN 0.334 nan 8.360 nan 0.000 0.456 42 A N 1.673 123.883 122.820 -1.016 0.000 1.865 42 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 42 A C 2.174 179.212 177.584 -0.909 0.000 1.191 42 A CA 1.833 52.933 52.037 -1.561 0.000 0.623 42 A CB -0.645 17.871 19.000 -0.806 0.000 0.826 42 A HN 0.160 nan 8.150 nan 0.000 0.444 43 R N -0.332 119.815 120.500 -0.588 0.000 2.094 43 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 43 R C 2.002 178.058 176.300 -0.407 0.000 1.137 43 R CA 2.334 58.132 56.100 -0.503 0.000 0.943 43 R CB -0.645 29.260 30.300 -0.659 0.000 0.850 43 R HN 0.617 nan 8.270 nan 0.000 0.433 44 T N -2.270 112.068 114.554 -0.361 0.000 3.219 44 T HA 0.048 4.398 4.350 -0.000 0.000 0.249 44 T C 0.316 174.925 174.700 -0.152 0.000 1.099 44 T CA 0.508 62.473 62.100 -0.226 0.000 0.988 44 T CB 0.085 68.844 68.868 -0.182 0.000 0.999 44 T HN 0.396 nan 8.240 nan 0.000 0.550 45 D N 0.913 121.181 120.400 -0.221 0.000 3.059 45 D HA -0.163 4.476 4.640 -0.000 0.000 0.220 45 D C 0.283 176.670 176.300 0.144 0.000 1.169 45 D CA 0.498 54.480 54.000 -0.030 0.000 0.902 45 D CB -0.878 39.959 40.800 0.061 0.000 1.116 45 D HN 0.607 nan 8.370 nan 0.000 0.417 46 R N -0.167 120.398 120.500 0.108 0.000 2.893 46 R HA 0.309 4.649 4.340 -0.000 0.000 0.279 46 R C -2.103 174.427 176.300 0.383 0.000 1.076 46 R CA -0.613 55.606 56.100 0.199 0.000 1.203 46 R CB -0.411 29.970 30.300 0.134 0.000 1.137 46 R HN 0.139 nan 8.270 nan 0.000 0.541 47 P HA 0.065 nan 4.420 nan 0.000 0.284 47 P C -0.753 176.662 177.300 0.192 0.000 1.253 47 P CA -0.219 63.013 63.100 0.220 0.000 0.800 47 P CB 1.288 33.068 31.700 0.132 0.000 0.961 48 S N 2.000 117.702 115.700 0.003 0.000 2.457 48 S HA 0.086 4.556 4.470 -0.000 0.000 0.289 48 S C 1.189 175.776 174.600 -0.022 0.000 1.163 48 S CA -0.515 57.603 58.200 -0.137 0.000 1.078 48 S CB 0.360 63.181 63.200 -0.630 0.000 0.987 48 S HN 0.312 nan 8.310 nan 0.000 0.482 49 Q N 3.049 122.884 119.800 0.058 0.000 2.364 49 Q HA -0.143 4.197 4.340 -0.000 0.000 0.209 49 Q C 0.753 176.889 176.000 0.226 0.000 0.977 49 Q CA 1.084 56.962 55.803 0.124 0.000 0.885 49 Q CB -0.313 28.507 28.738 0.138 0.000 0.941 49 Q HN 0.731 nan 8.270 nan 0.000 0.464 50 Q N 0.305 120.180 119.800 0.125 0.000 2.444 50 Q HA 0.128 4.468 4.340 -0.000 0.000 0.206 50 Q C -0.317 175.775 176.000 0.154 0.000 0.948 50 Q CA 0.299 56.198 55.803 0.161 0.000 0.946 50 Q CB 0.277 29.003 28.738 -0.021 0.000 1.027 50 Q HN 0.126 nan 8.270 nan 0.000 0.513 51 L N 0.516 121.811 121.223 0.119 0.000 2.343 51 L HA 0.452 4.792 4.340 -0.000 0.000 0.278 51 L C -1.218 175.731 176.870 0.130 0.000 0.996 51 L CA -0.413 54.482 54.840 0.093 0.000 0.831 51 L CB 1.201 43.236 42.059 -0.040 0.000 1.232 51 L HN -0.137 nan 8.230 nan 0.000 0.413 52 R N 2.740 123.341 120.500 0.168 0.000 2.494 52 R HA 0.462 4.801 4.340 -0.000 0.000 0.305 52 R C -0.835 175.491 176.300 0.043 0.000 0.959 52 R CA -0.582 55.574 56.100 0.094 0.000 0.864 52 R CB 2.142 32.484 30.300 0.071 0.000 1.159 52 R HN 0.707 nan 8.270 nan 0.000 0.446 53 S N 3.181 118.895 115.700 0.023 0.000 2.513 53 S HA 0.254 4.724 4.470 -0.000 0.000 0.276 53 S C 0.947 175.552 174.600 0.009 0.000 1.254 53 S CA -0.555 57.656 58.200 0.018 0.000 1.053 53 S CB 0.540 63.761 63.200 0.036 0.000 0.958 53 S HN 0.577 nan 8.310 nan 0.000 0.491 54 L N 3.782 125.015 121.223 0.016 0.000 2.653 54 L HA 0.247 4.587 4.340 -0.000 0.000 0.231 54 L C 0.250 177.283 176.870 0.270 0.000 1.153 54 L CA -0.253 54.610 54.840 0.037 0.000 0.933 54 L CB -0.428 41.599 42.059 -0.053 0.000 1.175 54 L HN 0.560 nan 8.230 nan 0.000 0.473 55 N N 1.250 120.069 118.700 0.198 0.000 2.492 55 N HA 0.383 5.122 4.740 -0.000 0.000 0.260 55 N C 0.679 176.345 175.510 0.261 0.000 1.215 55 N CA 1.072 54.254 53.050 0.220 0.000 0.923 55 N CB 1.263 39.808 38.487 0.097 0.000 1.092 55 N HN 0.345 nan 8.380 nan 0.000 0.448 56 G N 0.965 109.944 108.800 0.299 0.000 2.236 56 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.231 56 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.231 56 G C -1.298 173.850 174.900 0.413 0.000 1.334 56 G CA -0.818 44.441 45.100 0.265 0.000 1.137 56 G HN 0.484 nan 8.290 nan 0.000 0.482 57 E N 0.504 120.896 120.200 0.321 0.000 2.166 57 E HA 0.393 4.743 4.350 -0.000 0.000 0.279 57 E C -0.846 176.000 176.600 0.409 0.000 1.095 57 E CA -0.017 56.574 56.400 0.318 0.000 0.888 57 E CB 0.426 30.225 29.700 0.166 0.000 1.041 57 E HN 0.337 nan 8.360 nan 0.000 0.414 58 W N 2.040 123.422 121.300 0.136 0.000 2.762 58 W HA 0.416 5.075 4.660 -0.000 0.000 0.355 58 W C 0.216 176.846 176.519 0.185 0.000 1.124 58 W CA -0.859 56.596 57.345 0.183 0.000 1.141 58 W CB 0.672 30.294 29.460 0.269 0.000 1.432 58 W HN 0.224 nan 8.180 nan 0.000 0.586 59 R N 1.351 122.106 120.500 0.426 0.000 2.428 59 R HA 0.646 4.986 4.340 -0.000 0.000 0.294 59 R C -1.296 175.210 176.300 0.344 0.000 1.000 59 R CA -0.703 55.585 56.100 0.313 0.000 0.960 59 R CB 1.380 31.812 30.300 0.222 0.000 1.076 59 R HN 0.432 nan 8.270 nan 0.000 0.475 60 F N 0.505 120.470 119.950 0.025 0.000 2.613 60 F HA 0.664 5.191 4.527 -0.000 0.000 0.310 60 F C -1.624 174.038 175.800 -0.230 0.000 1.085 60 F CA -0.612 57.273 58.000 -0.192 0.000 0.945 60 F CB 2.192 40.966 39.000 -0.377 0.000 1.298 60 F HN 0.642 nan 8.300 nan 0.000 0.455 61 A N 3.691 125.477 122.820 -1.723 0.000 2.513 61 A HA 0.495 4.814 4.320 -0.000 0.000 0.296 61 A C -2.492 174.172 177.584 -1.534 0.000 1.052 61 A CA -0.464 50.858 52.037 -1.192 0.000 0.714 61 A CB 0.352 19.013 19.000 -0.566 0.000 1.279 61 A HN 0.974 nan 8.150 nan 0.000 0.397 62 W N 2.586 123.124 121.300 -1.269 0.000 2.512 62 W HA 0.799 5.458 4.660 -0.000 0.000 0.335 62 W C -1.742 174.283 176.519 -0.822 0.000 1.088 62 W CA -0.383 56.408 57.345 -0.924 0.000 1.236 62 W CB 1.160 30.318 29.460 -0.503 0.000 1.307 62 W HN 0.512 nan 8.180 nan 0.000 0.567 63 F N 5.184 124.458 119.950 -1.128 0.000 2.601 63 F HA 0.316 4.843 4.527 -0.000 0.000 0.309 63 F C -1.469 173.474 175.800 -1.428 0.000 1.089 63 F CA -2.126 55.338 58.000 -0.893 0.000 0.940 63 F CB 1.892 40.548 39.000 -0.573 0.000 1.273 63 F HN 0.181 nan 8.300 nan 0.000 0.450 64 P HA 0.125 nan 4.420 nan 0.000 0.237 64 P C -0.406 176.777 177.300 -0.195 0.000 1.178 64 P CA 0.772 63.639 63.100 -0.388 0.000 0.766 64 P CB 0.586 32.312 31.700 0.044 0.000 0.876 65 A N -0.411 122.292 122.820 -0.195 0.000 2.583 65 A HA 0.477 4.796 4.320 -0.000 0.000 0.298 65 A C -2.395 175.078 177.584 -0.185 0.000 1.055 65 A CA -0.955 51.006 52.037 -0.126 0.000 0.714 65 A CB 0.486 19.475 19.000 -0.019 0.000 1.277 65 A HN -0.280 nan 8.150 nan 0.000 0.406 66 P HA -0.232 nan 4.420 nan 0.000 0.215 66 P C 0.714 177.913 177.300 -0.168 0.000 1.157 66 P CA 1.846 64.802 63.100 -0.241 0.000 0.874 66 P CB -0.086 31.433 31.700 -0.302 0.000 0.790 67 E N -0.408 119.756 120.200 -0.060 0.000 2.495 67 E HA 0.047 4.397 4.350 -0.000 0.000 0.204 67 E C 1.214 177.770 176.600 -0.073 0.000 1.163 67 E CA 0.742 57.128 56.400 -0.023 0.000 0.922 67 E CB -0.578 29.151 29.700 0.048 0.000 0.918 67 E HN 0.312 nan 8.360 nan 0.000 0.537 68 A N 0.623 123.344 122.820 -0.165 0.000 2.498 68 A HA 0.205 4.525 4.320 -0.000 0.000 0.238 68 A C 0.771 178.131 177.584 -0.373 0.000 1.225 68 A CA -0.364 51.583 52.037 -0.150 0.000 0.978 68 A CB 0.663 19.651 19.000 -0.020 0.000 1.142 68 A HN 0.079 nan 8.150 nan 0.000 0.552 69 V N 3.064 122.577 119.914 -0.668 0.000 2.529 69 V HA 0.194 4.314 4.120 -0.000 0.000 0.292 69 V C -2.242 173.582 176.094 -0.450 0.000 1.028 69 V CA -1.243 60.451 62.300 -1.011 0.000 1.074 69 V CB 0.136 31.454 31.823 -0.842 0.000 0.958 69 V HN 0.320 nan 8.190 nan 0.000 0.481 70 P HA 0.145 nan 4.420 nan 0.000 0.271 70 P C 0.643 177.919 177.300 -0.041 0.000 1.226 70 P CA -0.120 62.922 63.100 -0.098 0.000 0.765 70 P CB 0.950 32.647 31.700 -0.004 0.000 0.835 71 E N 2.749 122.925 120.200 -0.040 0.000 2.187 71 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 71 E C 1.818 178.397 176.600 -0.033 0.000 1.004 71 E CA 2.128 58.504 56.400 -0.039 0.000 0.813 71 E CB -0.338 29.343 29.700 -0.033 0.000 0.736 71 E HN 0.509 nan 8.360 nan 0.000 0.468 72 S N -0.811 114.888 115.700 -0.002 0.000 2.442 72 S HA -0.201 4.269 4.470 -0.000 0.000 0.236 72 S C 1.783 176.392 174.600 0.015 0.000 1.007 72 S CA 0.914 59.115 58.200 0.002 0.000 0.965 72 S CB -0.725 62.490 63.200 0.026 0.000 0.773 72 S HN 0.612 nan 8.310 nan 0.000 0.504 73 W N 2.193 123.406 121.300 -0.145 0.000 2.341 73 W HA -0.015 4.645 4.660 -0.000 0.000 0.283 73 W C 1.548 177.950 176.519 -0.195 0.000 1.215 73 W CA 1.064 58.315 57.345 -0.157 0.000 1.211 73 W CB -0.383 28.963 29.460 -0.190 0.000 1.131 73 W HN 0.325 nan 8.180 nan 0.000 0.552 74 L N -0.053 120.895 121.223 -0.458 0.000 2.141 74 L HA -0.134 4.205 4.340 -0.000 0.000 0.209 74 L C 2.477 179.109 176.870 -0.395 0.000 1.094 74 L CA 1.345 55.800 54.840 -0.642 0.000 0.763 74 L CB -0.627 41.104 42.059 -0.548 0.000 0.908 74 L HN -0.010 nan 8.230 nan 0.000 0.437 75 E N -1.149 118.909 120.200 -0.236 0.000 2.175 75 E HA 0.079 4.429 4.350 -0.000 0.000 0.195 75 E C 0.323 176.857 176.600 -0.110 0.000 0.934 75 E CA 0.327 56.643 56.400 -0.139 0.000 0.870 75 E CB 0.567 30.220 29.700 -0.079 0.000 0.838 75 E HN 0.370 nan 8.360 nan 0.000 0.474 76 C N 1.994 121.247 119.300 -0.079 0.000 2.456 76 C HA 0.378 4.838 4.460 -0.000 0.000 0.325 76 C C 0.031 175.046 174.990 0.041 0.000 1.217 76 C CA -1.298 57.709 59.018 -0.019 0.000 1.687 76 C CB 1.282 29.026 27.740 0.007 0.000 2.270 76 C HN 0.197 nan 8.230 nan 0.000 0.499 77 D N 1.707 122.141 120.400 0.057 0.000 2.425 77 D HA 0.211 4.851 4.640 -0.000 0.000 0.247 77 D C -0.077 176.304 176.300 0.135 0.000 1.147 77 D CA 0.343 54.419 54.000 0.127 0.000 0.879 77 D CB 0.738 41.598 40.800 0.100 0.000 1.179 77 D HN 0.417 nan 8.370 nan 0.000 0.456 78 L N 5.713 127.047 121.223 0.185 0.000 2.455 78 L HA 0.045 4.385 4.340 -0.000 0.000 0.272 78 L C -0.817 176.100 176.870 0.078 0.000 1.174 78 L CA -1.176 53.739 54.840 0.124 0.000 0.869 78 L CB 0.663 42.791 42.059 0.114 0.000 1.130 78 L HN 0.354 nan 8.230 nan 0.000 0.474 79 P HA -0.184 nan 4.420 nan 0.000 0.215 79 P C 0.465 177.783 177.300 0.030 0.000 1.153 79 P CA 1.220 64.344 63.100 0.040 0.000 0.853 79 P CB 0.065 31.784 31.700 0.032 0.000 0.788 80 E N -0.144 120.068 120.200 0.019 0.000 2.335 80 E HA 0.351 4.701 4.350 -0.000 0.000 0.191 80 E C 0.486 177.081 176.600 -0.008 0.000 1.150 80 E CA -0.266 56.133 56.400 -0.002 0.000 1.001 80 E CB -0.638 29.047 29.700 -0.026 0.000 1.127 80 E HN 0.206 nan 8.360 nan 0.000 0.462 81 A N 0.964 123.796 122.820 0.019 0.000 2.304 81 A HA 0.324 4.644 4.320 -0.000 0.000 0.301 81 A C -0.233 177.392 177.584 0.067 0.000 1.132 81 A CA -0.841 51.212 52.037 0.026 0.000 0.819 81 A CB 0.701 19.734 19.000 0.054 0.000 1.094 81 A HN 0.036 nan 8.150 nan 0.000 0.492 82 D N 0.092 120.557 120.400 0.108 0.000 2.511 82 D HA 0.510 5.150 4.640 -0.000 0.000 0.276 82 D C -0.502 175.889 176.300 0.153 0.000 1.220 82 D CA 0.260 54.349 54.000 0.148 0.000 1.077 82 D CB 0.735 41.674 40.800 0.233 0.000 1.126 82 D HN 0.362 nan 8.370 nan 0.000 0.583 83 T N 0.405 115.037 114.554 0.131 0.000 2.930 83 T HA 0.450 4.800 4.350 -0.000 0.000 0.313 83 T C -0.401 174.360 174.700 0.102 0.000 1.019 83 T CA -0.478 61.700 62.100 0.129 0.000 1.004 83 T CB 0.789 69.715 68.868 0.097 0.000 0.987 83 T HN 0.013 nan 8.240 nan 0.000 0.456 84 V N 2.962 122.966 119.914 0.149 0.000 3.046 84 V HA 0.635 4.755 4.120 -0.000 0.000 0.316 84 V C -0.101 176.083 176.094 0.151 0.000 1.104 84 V CA -0.892 61.456 62.300 0.080 0.000 1.006 84 V CB 2.387 34.232 31.823 0.038 0.000 1.058 84 V HN 0.550 nan 8.190 nan 0.000 0.440 85 V N 2.049 122.024 119.914 0.101 0.000 2.532 85 V HA 0.531 4.650 4.120 -0.000 0.000 0.295 85 V C -0.433 175.702 176.094 0.069 0.000 1.041 85 V CA -0.336 62.032 62.300 0.113 0.000 0.926 85 V CB 1.867 33.732 31.823 0.071 0.000 0.992 85 V HN 0.581 nan 8.190 nan 0.000 0.457 86 V N 6.966 126.861 119.914 -0.032 0.000 2.531 86 V HA 0.462 4.581 4.120 -0.000 0.000 0.301 86 V C -2.381 173.637 176.094 -0.126 0.000 1.034 86 V CA -1.663 60.495 62.300 -0.237 0.000 0.865 86 V CB 2.264 33.545 31.823 -0.903 0.000 0.995 86 V HN 0.750 nan 8.190 nan 0.000 0.424 87 P HA 0.537 nan 4.420 nan 0.000 0.279 87 P C -0.784 176.483 177.300 -0.054 0.000 1.252 87 P CA -0.260 62.771 63.100 -0.115 0.000 0.811 87 P CB 1.591 33.242 31.700 -0.082 0.000 1.035 88 S N 0.229 115.920 115.700 -0.016 0.000 2.597 88 S HA 0.370 4.840 4.470 -0.000 0.000 0.274 88 S C -1.457 173.126 174.600 -0.028 0.000 1.132 88 S CA -0.967 57.222 58.200 -0.018 0.000 0.835 88 S CB 0.297 63.527 63.200 0.050 0.000 1.092 88 S HN 0.325 nan 8.310 nan 0.000 0.457 89 N N 1.007 119.620 118.700 -0.145 0.000 2.421 89 N HA 0.455 5.195 4.740 -0.000 0.000 0.285 89 N C 0.683 176.047 175.510 -0.244 0.000 1.027 89 N CA -0.621 52.312 53.050 -0.194 0.000 0.918 89 N CB 0.718 39.059 38.487 -0.243 0.000 1.152 89 N HN 0.835 nan 8.380 nan 0.000 0.485 90 W N 2.997 124.162 121.300 -0.225 0.000 2.358 90 W HA -0.133 4.527 4.660 -0.000 0.000 0.303 90 W C 1.279 177.714 176.519 -0.140 0.000 1.208 90 W CA 1.114 58.317 57.345 -0.236 0.000 1.274 90 W CB -0.505 28.773 29.460 -0.304 0.000 1.138 90 W HN 0.514 nan 8.180 nan 0.000 0.515 91 Q N 0.284 120.034 119.800 -0.082 0.000 2.217 91 Q HA -0.203 4.137 4.340 -0.000 0.000 0.209 91 Q C 2.013 177.965 176.000 -0.079 0.000 0.988 91 Q CA 2.294 58.059 55.803 -0.063 0.000 0.878 91 Q CB -0.689 27.903 28.738 -0.244 0.000 0.909 91 Q HN 0.250 nan 8.270 nan 0.000 0.424 92 M N -1.015 118.476 119.600 -0.182 0.000 2.686 92 M HA -0.031 4.449 4.480 -0.000 0.000 0.246 92 M C 0.308 176.590 176.300 -0.030 0.000 1.096 92 M CA 1.188 56.385 55.300 -0.173 0.000 1.076 92 M CB -0.515 31.931 32.600 -0.257 0.000 1.504 92 M HN 0.311 nan 8.290 nan 0.000 0.524 93 H N -1.667 117.469 119.070 0.110 0.000 2.674 93 H HA 0.402 4.958 4.556 -0.000 0.000 0.274 93 H C 1.183 176.500 175.328 -0.019 0.000 1.121 93 H CA 0.034 56.144 56.048 0.102 0.000 1.132 93 H CB 0.528 30.437 29.762 0.244 0.000 1.606 93 H HN 0.454 nan 8.280 nan 0.000 0.558 94 G N 0.799 109.666 108.800 0.112 0.000 2.148 94 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.254 94 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.254 94 G C 0.353 175.169 174.900 -0.140 0.000 0.981 94 G CA 0.580 45.654 45.100 -0.043 0.000 0.670 94 G HN 0.450 nan 8.290 nan 0.000 0.528 95 Y N 1.361 121.647 120.300 -0.023 0.000 2.373 95 Y HA 0.308 4.858 4.550 -0.000 0.000 0.293 95 Y C 1.605 177.270 175.900 -0.391 0.000 1.129 95 Y CA 0.982 58.911 58.100 -0.285 0.000 1.226 95 Y CB 0.067 38.278 38.460 -0.415 0.000 1.000 95 Y HN 0.643 nan 8.280 nan 0.000 0.549 96 D N -1.812 118.672 120.400 0.140 0.000 2.768 96 D HA 0.521 5.160 4.640 -0.000 0.000 0.327 96 D C -1.185 175.203 176.300 0.148 0.000 1.302 96 D CA -0.850 53.226 54.000 0.127 0.000 0.897 96 D CB 0.795 41.811 40.800 0.359 0.000 1.420 96 D HN -0.040 nan 8.370 nan 0.000 0.494 97 A N -0.245 122.669 122.820 0.155 0.000 2.303 97 A HA 0.743 5.063 4.320 -0.000 0.000 0.317 97 A C -2.445 175.156 177.584 0.028 0.000 1.149 97 A CA -1.311 50.783 52.037 0.095 0.000 0.822 97 A CB 0.368 19.480 19.000 0.186 0.000 1.131 97 A HN 0.518 nan 8.150 nan 0.000 0.493 98 P HA 0.463 nan 4.420 nan 0.000 0.274 98 P C -0.844 176.557 177.300 0.168 0.000 1.231 98 P CA 0.134 63.153 63.100 -0.135 0.000 0.790 98 P CB 0.668 32.022 31.700 -0.577 0.000 0.951 99 I N 1.599 122.373 120.570 0.341 0.000 2.646 99 I HA 0.377 4.547 4.170 -0.000 0.000 0.299 99 I C -0.739 175.590 176.117 0.354 0.000 1.036 99 I CA -0.969 60.547 61.300 0.360 0.000 1.074 99 I CB 2.082 40.228 38.000 0.244 0.000 1.258 99 I HN 0.298 nan 8.210 nan 0.000 0.430 100 Y N 4.686 124.990 120.300 0.007 0.000 2.402 100 Y HA 0.534 5.084 4.550 -0.000 0.000 0.325 100 Y C -0.905 174.846 175.900 -0.249 0.000 1.009 100 Y CA -0.345 57.507 58.100 -0.413 0.000 1.278 100 Y CB 1.135 38.698 38.460 -1.495 0.000 1.105 100 Y HN 0.621 nan 8.280 nan 0.000 0.476 101 T N 3.201 117.208 114.554 -0.911 0.000 2.930 101 T HA 0.297 4.646 4.350 -0.000 0.000 0.290 101 T C 0.330 174.449 174.700 -0.969 0.000 1.052 101 T CA -0.909 60.734 62.100 -0.763 0.000 1.017 101 T CB 2.205 70.833 68.868 -0.400 0.000 1.137 101 T HN 0.776 nan 8.240 nan 0.000 0.511 102 N N -0.256 118.031 118.700 -0.688 0.000 2.418 102 N HA 0.012 4.752 4.740 -0.000 0.000 0.199 102 N C 1.165 176.406 175.510 -0.449 0.000 1.044 102 N CA 0.305 53.039 53.050 -0.526 0.000 0.943 102 N CB 0.282 38.509 38.487 -0.434 0.000 1.154 102 N HN 0.280 nan 8.380 nan 0.000 0.467 103 V N 0.448 120.052 119.914 -0.518 0.000 2.922 103 V HA 0.111 4.231 4.120 -0.000 0.000 0.242 103 V C 0.499 176.289 176.094 -0.506 0.000 1.094 103 V CA 0.589 62.514 62.300 -0.625 0.000 1.106 103 V CB 0.502 31.833 31.823 -0.820 0.000 0.799 103 V HN 0.275 nan 8.190 nan 0.000 0.474 104 T N 1.019 115.336 114.554 -0.395 0.000 2.888 104 T HA 0.185 4.535 4.350 -0.000 0.000 0.301 104 T C -0.486 174.071 174.700 -0.239 0.000 1.001 104 T CA 0.303 62.241 62.100 -0.271 0.000 1.147 104 T CB -0.090 68.654 68.868 -0.207 0.000 0.931 104 T HN 0.170 nan 8.240 nan 0.000 0.541 105 Y N 4.910 125.085 120.300 -0.208 0.000 2.425 105 Y HA 0.163 4.713 4.550 -0.000 0.000 0.331 105 Y C -1.076 174.661 175.900 -0.271 0.000 1.157 105 Y CA -1.809 56.149 58.100 -0.237 0.000 1.372 105 Y CB 0.516 38.825 38.460 -0.251 0.000 1.253 105 Y HN 0.566 nan 8.280 nan 0.000 0.536 106 P HA -0.138 nan 4.420 nan 0.000 0.220 106 P C 0.062 177.131 177.300 -0.385 0.000 1.148 106 P CA 1.435 64.386 63.100 -0.248 0.000 0.803 106 P CB 0.083 31.599 31.700 -0.308 0.000 0.782 107 I N -4.989 115.278 120.570 -0.505 0.000 3.501 107 I HA 0.409 4.579 4.170 -0.000 0.000 0.297 107 I C -0.165 175.780 176.117 -0.287 0.000 1.199 107 I CA -1.091 59.903 61.300 -0.510 0.000 0.987 107 I CB 0.444 37.996 38.000 -0.746 0.000 1.365 107 I HN -0.432 nan 8.210 nan 0.000 0.574 108 T N 1.967 116.397 114.554 -0.207 0.000 2.884 108 T HA 0.235 4.585 4.350 -0.000 0.000 0.298 108 T C 0.138 174.786 174.700 -0.088 0.000 0.998 108 T CA -0.419 61.621 62.100 -0.099 0.000 1.124 108 T CB 1.046 69.895 68.868 -0.033 0.000 0.931 108 T HN 0.374 nan 8.240 nan 0.000 0.531 109 V N 4.409 124.297 119.914 -0.043 0.000 2.287 109 V HA 0.196 4.316 4.120 -0.000 0.000 0.246 109 V C 0.762 176.913 176.094 0.094 0.000 1.165 109 V CA -0.151 62.155 62.300 0.010 0.000 1.088 109 V CB -0.761 31.061 31.823 -0.002 0.000 1.242 109 V HN 0.825 nan 8.190 nan 0.000 0.497 110 N N 4.506 123.333 118.700 0.210 0.000 2.628 110 N HA 0.287 5.027 4.740 -0.000 0.000 0.299 110 N C -2.895 172.712 175.510 0.161 0.000 1.834 110 N CA -1.497 51.674 53.050 0.201 0.000 0.871 110 N CB 1.026 39.657 38.487 0.240 0.000 1.377 110 N HN 0.285 nan 8.380 nan 0.000 0.493 111 P HA 0.060 nan 4.420 nan 0.000 0.261 111 P C -2.310 174.741 177.300 -0.416 0.000 1.173 111 P CA -0.606 62.061 63.100 -0.720 0.000 0.760 111 P CB 0.400 31.564 31.700 -0.893 0.000 0.783 112 P HA 0.245 nan 4.420 nan 0.000 0.266 112 P C -0.565 176.525 177.300 -0.351 0.000 1.561 112 P CA -0.222 62.585 63.100 -0.488 0.000 1.089 112 P CB 0.036 31.455 31.700 -0.469 0.000 1.534 113 F N -0.503 119.532 119.950 0.142 0.000 2.378 113 F HA 0.410 4.937 4.527 -0.000 0.000 0.319 113 F C 1.019 176.987 175.800 0.281 0.000 1.155 113 F CA -0.871 57.236 58.000 0.180 0.000 1.157 113 F CB 0.366 39.427 39.000 0.102 0.000 1.252 113 F HN -0.323 nan 8.300 nan 0.000 0.550 114 V N 1.529 121.725 119.914 0.470 0.000 3.040 114 V HA 0.480 4.600 4.120 -0.000 0.000 0.312 114 V C -2.185 174.095 176.094 0.310 0.000 1.115 114 V CA -2.052 60.462 62.300 0.356 0.000 0.998 114 V CB 2.523 34.628 31.823 0.470 0.000 1.042 114 V HN 0.573 nan 8.190 nan 0.000 0.433 115 P HA 0.107 nan 4.420 nan 0.000 0.271 115 P C 0.935 178.392 177.300 0.262 0.000 1.216 115 P CA 0.264 63.485 63.100 0.201 0.000 0.771 115 P CB 0.720 32.509 31.700 0.149 0.000 0.864 116 T N 0.437 115.114 114.554 0.204 0.000 2.653 116 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 116 T C 0.386 175.203 174.700 0.194 0.000 1.035 116 T CA 1.222 63.443 62.100 0.201 0.000 1.154 116 T CB -0.878 68.075 68.868 0.141 0.000 0.862 116 T HN 0.402 nan 8.240 nan 0.000 0.441 117 E N 2.818 123.131 120.200 0.188 0.000 2.166 117 E HA 0.463 4.813 4.350 -0.000 0.000 0.279 117 E C -0.405 176.343 176.600 0.247 0.000 1.095 117 E CA -0.154 56.357 56.400 0.185 0.000 0.888 117 E CB 0.229 30.044 29.700 0.191 0.000 1.041 117 E HN 0.402 nan 8.360 nan 0.000 0.414 118 N N 3.863 122.662 118.700 0.165 0.000 2.621 118 N HA 0.208 4.948 4.740 -0.000 0.000 0.271 118 N C -2.844 172.634 175.510 -0.054 0.000 1.181 118 N CA -2.417 50.717 53.050 0.140 0.000 0.805 118 N CB 1.094 39.667 38.487 0.142 0.000 1.351 118 N HN 0.047 nan 8.380 nan 0.000 0.539 119 P HA -0.030 nan 4.420 nan 0.000 0.251 119 P C -0.613 176.612 177.300 -0.126 0.000 1.154 119 P CA 0.597 63.624 63.100 -0.122 0.000 0.805 119 P CB -0.172 31.723 31.700 0.324 0.000 0.759 120 T N 3.167 117.444 114.554 -0.461 0.000 2.771 120 T HA 0.537 4.887 4.350 -0.000 0.000 0.281 120 T C 0.631 174.930 174.700 -0.667 0.000 0.982 120 T CA -0.419 61.465 62.100 -0.360 0.000 0.978 120 T CB 1.386 70.041 68.868 -0.354 0.000 0.930 120 T HN 0.320 nan 8.240 nan 0.000 0.447 121 G N 1.249 109.723 108.800 -0.544 0.000 2.384 121 G HA2 0.465 4.425 3.960 -0.000 0.000 0.316 121 G HA3 0.465 4.425 3.960 -0.000 0.000 0.316 121 G C -0.230 174.508 174.900 -0.271 0.000 1.160 121 G CA -0.438 44.220 45.100 -0.736 0.000 0.936 121 G HN 0.875 nan 8.290 nan 0.000 0.455 122 C N 3.516 122.407 119.300 -0.682 0.000 2.225 122 C HA 0.428 4.888 4.460 -0.000 0.000 0.328 122 C C -0.422 174.540 174.990 -0.048 0.000 1.187 122 C CA -1.157 57.561 59.018 -0.500 0.000 1.665 122 C CB -1.853 25.037 27.740 -1.417 0.000 2.253 122 C HN 0.594 nan 8.230 nan 0.000 0.497 123 Y N 1.995 122.510 120.300 0.358 0.000 2.335 123 Y HA 0.620 5.170 4.550 -0.000 0.000 0.323 123 Y C 0.870 177.203 175.900 0.722 0.000 1.224 123 Y CA -0.509 57.931 58.100 0.567 0.000 1.241 123 Y CB 1.039 39.822 38.460 0.538 0.000 1.235 123 Y HN 0.703 nan 8.280 nan 0.000 0.492 124 S N 2.069 118.265 115.700 0.826 0.000 2.570 124 S HA 0.850 5.320 4.470 -0.000 0.000 0.270 124 S C -1.686 173.084 174.600 0.282 0.000 1.149 124 S CA -0.835 57.683 58.200 0.531 0.000 0.837 124 S CB 2.130 65.585 63.200 0.426 0.000 1.124 124 S HN 0.780 nan 8.310 nan 0.000 0.465 125 L N 0.254 121.484 121.223 0.012 0.000 2.591 125 L HA 0.753 5.093 4.340 -0.000 0.000 0.257 125 L C -1.422 175.435 176.870 -0.021 0.000 0.935 125 L CA 0.081 54.769 54.840 -0.253 0.000 0.873 125 L CB 2.100 43.501 42.059 -1.096 0.000 1.397 125 L HN 0.900 nan 8.230 nan 0.000 0.414 126 T N 3.894 118.460 114.554 0.020 0.000 2.856 126 T HA 0.889 5.239 4.350 -0.000 0.000 0.283 126 T C -1.215 173.618 174.700 0.222 0.000 1.008 126 T CA -0.064 62.096 62.100 0.101 0.000 0.997 126 T CB 1.051 69.920 68.868 0.002 0.000 0.992 126 T HN 0.556 nan 8.240 nan 0.000 0.454 127 F N 0.070 119.947 119.950 -0.121 0.000 2.773 127 F HA 0.647 5.174 4.527 -0.000 0.000 0.314 127 F C -1.345 174.403 175.800 -0.087 0.000 1.160 127 F CA -1.556 56.375 58.000 -0.115 0.000 0.920 127 F CB 0.680 39.595 39.000 -0.141 0.000 1.323 127 F HN 0.303 nan 8.300 nan 0.000 0.457 128 N N -0.054 118.635 118.700 -0.019 0.000 2.487 128 N HA 0.716 5.456 4.740 -0.000 0.000 0.292 128 N C -1.587 173.891 175.510 -0.052 0.000 1.108 128 N CA -0.580 52.402 53.050 -0.113 0.000 0.956 128 N CB 2.062 40.499 38.487 -0.084 0.000 1.176 128 N HN 0.579 nan 8.380 nan 0.000 0.484 129 V N 1.325 121.166 119.914 -0.121 0.000 2.487 129 V HA 0.199 4.319 4.120 -0.000 0.000 0.298 129 V C -0.452 175.553 176.094 -0.148 0.000 1.028 129 V CA -0.936 61.305 62.300 -0.099 0.000 0.860 129 V CB 1.670 33.495 31.823 0.004 0.000 0.991 129 V HN 0.658 nan 8.190 nan 0.000 0.427 130 D N 3.300 123.519 120.400 -0.301 0.000 2.458 130 D HA 0.004 4.644 4.640 -0.000 0.000 0.243 130 D C 1.399 177.648 176.300 -0.086 0.000 1.146 130 D CA 0.186 54.032 54.000 -0.258 0.000 0.877 130 D CB 1.188 41.711 40.800 -0.462 0.000 1.176 130 D HN 0.775 nan 8.370 nan 0.000 0.461 131 E N 1.766 121.940 120.200 -0.042 0.000 2.160 131 E HA -0.246 4.103 4.350 -0.000 0.000 0.195 131 E C 1.720 178.356 176.600 0.060 0.000 0.991 131 E CA 1.232 57.641 56.400 0.014 0.000 0.810 131 E CB -0.311 29.390 29.700 0.003 0.000 0.742 131 E HN 0.483 nan 8.360 nan 0.000 0.466 132 S N 0.547 116.277 115.700 0.050 0.000 2.400 132 S HA -0.181 4.289 4.470 -0.000 0.000 0.232 132 S C 1.431 176.144 174.600 0.188 0.000 1.025 132 S CA 0.759 59.021 58.200 0.103 0.000 0.993 132 S CB -0.556 62.695 63.200 0.086 0.000 0.808 132 S HN 0.454 nan 8.310 nan 0.000 0.478 133 W N 1.439 122.629 121.300 -0.183 0.000 2.825 133 W HA 0.362 5.022 4.660 -0.000 0.000 0.243 133 W C 1.790 178.324 176.519 0.025 0.000 1.293 133 W CA -0.374 56.786 57.345 -0.308 0.000 1.403 133 W CB -0.430 28.858 29.460 -0.286 0.000 1.134 133 W HN 0.334 nan 8.180 nan 0.000 0.666 134 L N -0.974 120.391 121.223 0.237 0.000 2.354 134 L HA -0.024 4.316 4.340 -0.000 0.000 0.212 134 L C 1.984 178.936 176.870 0.138 0.000 1.091 134 L CA 0.754 55.701 54.840 0.179 0.000 0.828 134 L CB -0.830 41.303 42.059 0.123 0.000 0.973 134 L HN -0.043 nan 8.230 nan 0.000 0.461 135 Q N 0.381 120.256 119.800 0.126 0.000 2.050 135 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 135 Q C 0.743 176.802 176.000 0.099 0.000 0.980 135 Q CA 1.265 57.126 55.803 0.095 0.000 0.840 135 Q CB 0.244 29.030 28.738 0.080 0.000 0.898 135 Q HN 0.564 nan 8.270 nan 0.000 0.424 136 E N -1.388 118.895 120.200 0.139 0.000 2.678 136 E HA 0.457 4.807 4.350 -0.000 0.000 0.204 136 E C 0.546 177.200 176.600 0.091 0.000 0.743 136 E CA -0.588 55.877 56.400 0.108 0.000 1.082 136 E CB -0.104 29.659 29.700 0.106 0.000 1.721 136 E HN 0.199 nan 8.360 nan 0.000 0.390 137 G N 1.023 109.796 108.800 -0.044 0.000 2.431 137 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.940 137 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.940 137 G C -0.170 174.545 174.900 -0.307 0.000 1.407 137 G CA 0.973 45.888 45.100 -0.309 0.000 0.878 137 G HN 0.535 nan 8.290 nan 0.000 0.500 138 Q N -1.704 117.807 119.800 -0.481 0.000 2.365 138 Q HA 0.626 4.966 4.340 -0.000 0.000 0.269 138 Q C -1.320 174.484 176.000 -0.327 0.000 1.061 138 Q CA -0.630 55.007 55.803 -0.276 0.000 0.816 138 Q CB 1.948 30.581 28.738 -0.175 0.000 1.325 138 Q HN 0.420 nan 8.270 nan 0.000 0.446 139 T N 4.214 118.726 114.554 -0.070 0.000 2.864 139 T HA 0.386 4.736 4.350 -0.000 0.000 0.310 139 T C -0.809 173.949 174.700 0.098 0.000 1.040 139 T CA -0.667 61.458 62.100 0.041 0.000 0.977 139 T CB 0.361 69.388 68.868 0.265 0.000 0.976 139 T HN 0.642 nan 8.240 nan 0.000 0.459 140 R N 3.428 123.965 120.500 0.061 0.000 2.668 140 R HA 0.706 5.046 4.340 -0.000 0.000 0.279 140 R C -0.807 175.557 176.300 0.108 0.000 0.976 140 R CA -0.895 55.267 56.100 0.102 0.000 0.978 140 R CB 1.409 31.758 30.300 0.081 0.000 1.133 140 R HN 0.518 nan 8.270 nan 0.000 0.484 141 I N 3.205 123.850 120.570 0.125 0.000 2.359 141 I HA 0.359 4.529 4.170 -0.000 0.000 0.294 141 I C -1.017 175.111 176.117 0.019 0.000 0.987 141 I CA -1.146 60.172 61.300 0.031 0.000 1.225 141 I CB 1.000 39.013 38.000 0.023 0.000 1.366 141 I HN 0.621 nan 8.210 nan 0.000 0.466 142 I N 7.704 128.203 120.570 -0.118 0.000 2.389 142 I HA 0.283 4.453 4.170 -0.000 0.000 0.288 142 I C -1.150 174.845 176.117 -0.204 0.000 0.999 142 I CA -0.391 60.869 61.300 -0.066 0.000 1.129 142 I CB 1.372 39.355 38.000 -0.028 0.000 1.288 142 I HN 0.401 nan 8.210 nan 0.000 0.444 143 F N 4.656 124.621 119.950 0.026 0.000 2.334 143 F HA 0.259 4.786 4.527 -0.000 0.000 0.367 143 F C 1.379 177.101 175.800 -0.130 0.000 1.115 143 F CA -0.426 57.536 58.000 -0.064 0.000 1.116 143 F CB 0.719 39.678 39.000 -0.068 0.000 1.230 143 F HN 0.483 nan 8.300 nan 0.000 0.484 144 D N 2.340 122.705 120.400 -0.058 0.000 2.263 144 D HA 0.015 4.655 4.640 -0.000 0.000 0.208 144 D C 0.995 177.156 176.300 -0.231 0.000 0.971 144 D CA 0.935 54.846 54.000 -0.148 0.000 0.867 144 D CB 0.381 41.052 40.800 -0.214 0.000 0.929 144 D HN 0.634 nan 8.370 nan 0.000 0.492 145 G N -0.763 107.836 108.800 -0.335 0.000 2.752 145 G HA2 0.449 4.409 3.960 -0.000 0.000 0.298 145 G HA3 0.449 4.409 3.960 -0.000 0.000 0.298 145 G C -1.622 172.992 174.900 -0.476 0.000 1.434 145 G CA -0.414 44.323 45.100 -0.605 0.000 1.004 145 G HN -0.059 nan 8.290 nan 0.000 0.560 146 V N 2.500 122.362 119.914 -0.087 0.000 2.624 146 V HA 0.397 4.517 4.120 -0.000 0.000 0.294 146 V C -0.989 175.217 176.094 0.188 0.000 1.077 146 V CA -1.225 61.057 62.300 -0.029 0.000 0.905 146 V CB 1.817 33.331 31.823 -0.516 0.000 1.025 146 V HN 0.724 nan 8.190 nan 0.000 0.440 147 N N 2.194 121.010 118.700 0.194 0.000 2.437 147 N HA 0.322 5.062 4.740 -0.000 0.000 0.259 147 N C 0.857 176.310 175.510 -0.095 0.000 0.983 147 N CA 0.461 53.505 53.050 -0.010 0.000 0.937 147 N CB 2.201 40.510 38.487 -0.298 0.000 1.122 147 N HN 0.768 nan 8.380 nan 0.000 0.499 148 S N 1.939 117.617 115.700 -0.036 0.000 2.524 148 S HA 0.471 4.941 4.470 -0.000 0.000 0.222 148 S C 0.444 175.115 174.600 0.119 0.000 1.040 148 S CA -0.055 58.178 58.200 0.055 0.000 0.915 148 S CB 0.467 63.719 63.200 0.088 0.000 0.831 148 S HN 0.576 nan 8.310 nan 0.000 0.492 149 A N 0.807 123.707 122.820 0.133 0.000 2.593 149 A HA 0.819 5.139 4.320 -0.000 0.000 0.290 149 A C -1.467 176.238 177.584 0.201 0.000 1.126 149 A CA -0.900 51.200 52.037 0.106 0.000 0.695 149 A CB 1.064 20.141 19.000 0.129 0.000 1.290 149 A HN 1.188 nan 8.150 nan 0.000 0.414 150 F N -0.774 118.997 119.950 -0.298 0.000 2.690 150 F HA 0.609 5.136 4.527 -0.000 0.000 0.311 150 F C -1.419 174.286 175.800 -0.159 0.000 1.111 150 F CA -0.709 57.196 58.000 -0.158 0.000 1.003 150 F CB 0.759 39.661 39.000 -0.163 0.000 1.283 150 F HN 0.633 nan 8.300 nan 0.000 0.442 151 H N 2.992 122.219 119.070 0.261 0.000 2.467 151 H HA 0.747 5.302 4.556 -0.000 0.000 0.331 151 H C -1.113 174.276 175.328 0.101 0.000 1.120 151 H CA -0.455 55.704 56.048 0.185 0.000 1.270 151 H CB 2.285 32.226 29.762 0.299 0.000 1.466 151 H HN 0.872 nan 8.280 nan 0.000 0.504 152 L N 2.835 123.933 121.223 -0.208 0.000 2.388 152 L HA 0.489 4.829 4.340 -0.000 0.000 0.264 152 L C -1.747 174.914 176.870 -0.348 0.000 0.998 152 L CA -0.483 54.260 54.840 -0.162 0.000 0.817 152 L CB 2.028 43.861 42.059 -0.378 0.000 1.338 152 L HN 0.527 nan 8.230 nan 0.000 0.414 153 W N 3.578 124.823 121.300 -0.092 0.000 3.167 153 W HA 0.557 5.216 4.660 -0.000 0.000 0.324 153 W C -1.597 174.850 176.519 -0.119 0.000 1.230 153 W CA -0.764 56.513 57.345 -0.113 0.000 1.184 153 W CB 2.052 31.482 29.460 -0.051 0.000 1.414 153 W HN 0.688 nan 8.180 nan 0.000 0.551 154 C N 4.197 123.562 119.300 0.109 0.000 2.551 154 C HA 0.320 4.780 4.460 -0.000 0.000 0.332 154 C C 0.287 175.372 174.990 0.158 0.000 1.139 154 C CA -0.316 58.750 59.018 0.080 0.000 1.328 154 C CB 0.012 27.712 27.740 -0.065 0.000 1.903 154 C HN 0.812 nan 8.230 nan 0.000 0.459 155 N N 3.241 122.003 118.700 0.103 0.000 2.708 155 N HA -0.198 4.541 4.740 -0.000 0.000 0.249 155 N C 0.967 176.533 175.510 0.094 0.000 1.097 155 N CA 2.270 55.366 53.050 0.077 0.000 0.710 155 N CB -1.313 37.231 38.487 0.095 0.000 1.032 155 N HN 1.884 nan 8.380 nan 0.000 0.551 156 G N -1.328 107.526 108.800 0.089 0.000 2.234 156 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.235 156 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.235 156 G C 0.092 175.161 174.900 0.281 0.000 0.997 156 G CA 0.357 45.508 45.100 0.084 0.000 0.623 156 G HN 0.512 nan 8.290 nan 0.000 0.514 157 R N -0.646 120.080 120.500 0.377 0.000 2.312 157 R HA 0.427 4.767 4.340 -0.000 0.000 0.311 157 R C -0.121 176.466 176.300 0.479 0.000 1.004 157 R CA -0.874 55.516 56.100 0.483 0.000 0.902 157 R CB 0.911 31.518 30.300 0.513 0.000 1.073 157 R HN 0.233 nan 8.270 nan 0.000 0.457 158 W N 4.128 125.542 121.300 0.190 0.000 2.347 158 W HA -0.005 4.655 4.660 -0.000 0.000 0.333 158 W C 0.041 176.421 176.519 -0.231 0.000 1.383 158 W CA 0.192 57.325 57.345 -0.352 0.000 1.283 158 W CB 0.535 29.796 29.460 -0.332 0.000 1.253 158 W HN 0.367 nan 8.180 nan 0.000 0.563 159 V N 5.528 124.749 119.914 -1.155 0.000 2.735 159 V HA 0.527 4.647 4.120 -0.000 0.000 0.234 159 V C 1.086 176.342 176.094 -1.396 0.000 1.121 159 V CA 1.099 62.729 62.300 -1.117 0.000 1.160 159 V CB -0.591 30.591 31.823 -1.067 0.000 0.908 159 V HN 0.741 nan 8.190 nan 0.000 0.495 160 G N -1.886 105.939 108.800 -1.626 0.000 2.731 160 G HA2 0.555 4.515 3.960 -0.000 0.000 0.309 160 G HA3 0.555 4.515 3.960 -0.000 0.000 0.309 160 G C -2.328 172.151 174.900 -0.703 0.000 1.273 160 G CA -0.343 44.059 45.100 -1.163 0.000 0.798 160 G HN 0.095 nan 8.290 nan 0.000 0.509 161 Y N -0.552 119.532 120.300 -0.360 0.000 2.436 161 Y HA 0.591 5.141 4.550 -0.000 0.000 0.327 161 Y C -0.243 175.466 175.900 -0.318 0.000 1.138 161 Y CA -0.202 57.663 58.100 -0.392 0.000 1.042 161 Y CB 1.570 39.958 38.460 -0.121 0.000 1.302 161 Y HN 1.023 nan 8.280 nan 0.000 0.439 162 G N 4.083 111.956 108.800 -1.544 0.000 2.569 162 G HA2 0.681 4.641 3.960 -0.000 0.000 0.300 162 G HA3 0.681 4.641 3.960 -0.000 0.000 0.300 162 G C -1.892 172.535 174.900 -0.788 0.000 1.269 162 G CA -0.932 43.606 45.100 -0.937 0.000 0.959 162 G HN 0.604 nan 8.290 nan 0.000 0.478 163 Q N -0.331 119.298 119.800 -0.285 0.000 2.456 163 Q HA 0.542 4.882 4.340 -0.000 0.000 0.283 163 Q C -1.657 174.354 176.000 0.018 0.000 1.084 163 Q CA -0.852 54.911 55.803 -0.067 0.000 0.801 163 Q CB 3.013 31.772 28.738 0.035 0.000 1.434 163 Q HN 0.645 nan 8.270 nan 0.000 0.419 164 D N 0.054 120.501 120.400 0.079 0.000 4.030 164 D HA -0.093 4.547 4.640 -0.000 0.000 0.222 164 D C -0.393 175.980 176.300 0.121 0.000 1.288 164 D CA 0.635 54.695 54.000 0.100 0.000 0.865 164 D CB -0.531 40.312 40.800 0.073 0.000 0.486 164 D HN 0.577 nan 8.370 nan 0.000 0.213 165 S N 3.014 118.805 115.700 0.152 0.000 2.474 165 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 165 S C 1.621 176.379 174.600 0.264 0.000 0.997 165 S CA 0.696 59.028 58.200 0.219 0.000 0.949 165 S CB 0.272 63.587 63.200 0.192 0.000 0.766 165 S HN 0.444 nan 8.310 nan 0.000 0.517 166 R N 0.255 120.868 120.500 0.188 0.000 2.362 166 R HA 0.482 4.822 4.340 -0.000 0.000 0.227 166 R C -0.326 176.048 176.300 0.124 0.000 0.905 166 R CA 0.051 56.261 56.100 0.184 0.000 1.067 166 R CB -0.066 30.375 30.300 0.235 0.000 1.078 166 R HN 0.350 nan 8.270 nan 0.000 0.516 167 L N 0.549 121.814 121.223 0.069 0.000 2.354 167 L HA 0.574 4.913 4.340 -0.000 0.000 0.264 167 L C -2.313 174.549 176.870 -0.013 0.000 1.008 167 L CA -2.562 52.288 54.840 0.018 0.000 0.819 167 L CB 2.329 44.387 42.059 -0.001 0.000 1.339 167 L HN -0.163 nan 8.230 nan 0.000 0.420 168 P HA 0.098 nan 4.420 nan 0.000 0.269 168 P C -0.924 176.361 177.300 -0.026 0.000 1.209 168 P CA -0.185 62.889 63.100 -0.045 0.000 0.776 168 P CB 0.817 32.454 31.700 -0.106 0.000 0.876 169 S N 1.634 117.374 115.700 0.066 0.000 2.594 169 S HA 0.239 4.708 4.470 -0.000 0.000 0.322 169 S C -0.427 174.161 174.600 -0.020 0.000 1.085 169 S CA -0.623 57.589 58.200 0.020 0.000 1.116 169 S CB 0.371 63.711 63.200 0.232 0.000 0.979 169 S HN 0.340 nan 8.310 nan 0.000 0.465 170 E N 2.438 122.485 120.200 -0.255 0.000 2.204 170 E HA 0.587 4.937 4.350 -0.000 0.000 0.276 170 E C -1.232 175.068 176.600 -0.501 0.000 0.974 170 E CA -0.519 55.767 56.400 -0.189 0.000 0.815 170 E CB 1.288 30.982 29.700 -0.009 0.000 1.119 170 E HN 0.401 nan 8.360 nan 0.000 0.393 171 F N 0.468 120.477 119.950 0.098 0.000 2.591 171 F HA 0.180 4.707 4.527 -0.000 0.000 0.309 171 F C -0.124 175.706 175.800 0.049 0.000 1.098 171 F CA -1.176 56.854 58.000 0.050 0.000 0.937 171 F CB 1.657 40.668 39.000 0.019 0.000 1.250 171 F HN 0.283 nan 8.300 nan 0.000 0.447 172 D N 2.622 123.170 120.400 0.247 0.000 2.317 172 D HA 0.274 4.914 4.640 -0.000 0.000 0.252 172 D C 0.362 176.803 176.300 0.234 0.000 1.174 172 D CA 0.321 54.436 54.000 0.192 0.000 0.866 172 D CB 1.179 42.072 40.800 0.155 0.000 1.127 172 D HN 0.585 nan 8.370 nan 0.000 0.467 173 L N 2.448 123.808 121.223 0.227 0.000 2.664 173 L HA 0.001 4.341 4.340 -0.000 0.000 0.233 173 L C 2.203 179.328 176.870 0.425 0.000 1.113 173 L CA -0.118 54.893 54.840 0.285 0.000 0.896 173 L CB 0.059 42.247 42.059 0.214 0.000 1.163 173 L HN 0.289 nan 8.230 nan 0.000 0.497 174 S N 1.452 117.321 115.700 0.282 0.000 2.409 174 S HA -0.312 4.157 4.470 -0.000 0.000 0.237 174 S C 1.832 176.532 174.600 0.166 0.000 1.060 174 S CA 1.865 60.184 58.200 0.198 0.000 1.052 174 S CB -0.287 62.981 63.200 0.113 0.000 0.871 174 S HN 0.548 nan 8.310 nan 0.000 0.465 175 A N -0.845 122.066 122.820 0.152 0.000 2.337 175 A HA 0.516 4.836 4.320 -0.000 0.000 0.227 175 A C 0.967 178.410 177.584 -0.235 0.000 1.259 175 A CA -0.075 51.906 52.037 -0.094 0.000 0.870 175 A CB -0.263 18.574 19.000 -0.271 0.000 0.927 175 A HN 0.465 nan 8.150 nan 0.000 0.497 176 F N -1.097 118.891 119.950 0.064 0.000 2.784 176 F HA 0.344 4.871 4.527 -0.000 0.000 0.316 176 F C 0.788 176.624 175.800 0.059 0.000 1.026 176 F CA -0.632 57.405 58.000 0.062 0.000 1.188 176 F CB -0.323 38.719 39.000 0.069 0.000 0.999 176 F HN -0.058 nan 8.300 nan 0.000 0.605 177 L N 1.179 122.573 121.223 0.286 0.000 2.456 177 L HA 0.183 4.522 4.340 -0.000 0.000 0.266 177 L C 0.449 177.377 176.870 0.097 0.000 1.258 177 L CA 0.340 55.284 54.840 0.173 0.000 0.823 177 L CB 0.138 42.311 42.059 0.189 0.000 1.100 177 L HN 0.116 nan 8.230 nan 0.000 0.531 178 R N -0.542 119.978 120.500 0.033 0.000 2.707 178 R HA 0.594 4.934 4.340 -0.000 0.000 0.272 178 R C -1.297 174.990 176.300 -0.021 0.000 1.011 178 R CA -0.818 55.284 56.100 0.004 0.000 0.893 178 R CB 2.069 32.354 30.300 -0.026 0.000 1.233 178 R HN 0.722 nan 8.270 nan 0.000 0.464 179 A N 1.178 123.988 122.820 -0.015 0.000 2.409 179 A HA 0.617 4.937 4.320 -0.000 0.000 0.262 179 A C 0.670 178.219 177.584 -0.059 0.000 1.113 179 A CA 0.940 52.962 52.037 -0.026 0.000 0.790 179 A CB 0.332 19.325 19.000 -0.011 0.000 1.046 179 A HN 0.983 nan 8.150 nan 0.000 0.496 180 G N 1.424 110.175 108.800 -0.082 0.000 2.594 180 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 180 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 180 G C -0.202 174.601 174.900 -0.161 0.000 1.163 180 G CA 0.063 45.103 45.100 -0.100 0.000 1.074 180 G HN 0.913 nan 8.290 nan 0.000 0.589 181 E N 1.777 121.879 120.200 -0.162 0.000 2.167 181 E HA 0.421 4.771 4.350 -0.000 0.000 0.284 181 E C -0.394 176.031 176.600 -0.291 0.000 1.016 181 E CA -0.465 55.799 56.400 -0.226 0.000 0.817 181 E CB 0.423 30.035 29.700 -0.147 0.000 1.080 181 E HN 0.400 nan 8.360 nan 0.000 0.397 182 N N 3.030 121.406 118.700 -0.540 0.000 2.335 182 N HA 0.370 5.109 4.740 -0.000 0.000 0.304 182 N C -0.794 174.436 175.510 -0.468 0.000 1.135 182 N CA -0.640 52.079 53.050 -0.551 0.000 0.817 182 N CB 2.131 40.185 38.487 -0.721 0.000 1.294 182 N HN 0.306 nan 8.380 nan 0.000 0.497 183 R N 1.983 122.386 120.500 -0.162 0.000 2.476 183 R HA 0.411 4.751 4.340 -0.000 0.000 0.305 183 R C -1.259 175.103 176.300 0.103 0.000 0.965 183 R CA -0.504 55.597 56.100 0.002 0.000 0.867 183 R CB 0.989 31.262 30.300 -0.046 0.000 1.176 183 R HN 0.523 nan 8.270 nan 0.000 0.447 184 L N 2.690 124.045 121.223 0.220 0.000 2.357 184 L HA 0.629 4.968 4.340 -0.000 0.000 0.273 184 L C -0.155 176.803 176.870 0.147 0.000 1.080 184 L CA -0.508 54.457 54.840 0.209 0.000 0.803 184 L CB 1.818 44.013 42.059 0.226 0.000 1.174 184 L HN 0.759 nan 8.230 nan 0.000 0.443 185 A N 3.272 126.188 122.820 0.160 0.000 2.499 185 A HA 0.662 4.982 4.320 -0.000 0.000 0.280 185 A C -1.059 176.788 177.584 0.438 0.000 1.135 185 A CA -0.447 51.623 52.037 0.056 0.000 0.744 185 A CB 1.044 19.581 19.000 -0.773 0.000 1.213 185 A HN 0.340 nan 8.150 nan 0.000 0.434 186 V N 2.716 123.045 119.914 0.692 0.000 2.532 186 V HA 0.675 4.794 4.120 -0.000 0.000 0.295 186 V C 0.203 176.809 176.094 0.852 0.000 1.041 186 V CA -0.462 62.247 62.300 0.681 0.000 0.926 186 V CB 1.596 33.674 31.823 0.425 0.000 0.992 186 V HN 0.971 nan 8.190 nan 0.000 0.457 187 M N 5.312 125.382 119.600 0.782 0.000 2.046 187 M HA 0.657 5.137 4.480 -0.000 0.000 0.309 187 M C -1.604 174.954 176.300 0.430 0.000 0.935 187 M CA -0.262 55.385 55.300 0.579 0.000 0.915 187 M CB 1.403 34.361 32.600 0.597 0.000 1.474 187 M HN 0.402 nan 8.290 nan 0.000 0.415 188 V N 5.870 126.005 119.914 0.368 0.000 2.644 188 V HA 0.543 4.663 4.120 -0.000 0.000 0.295 188 V C 0.113 176.382 176.094 0.291 0.000 1.053 188 V CA -0.746 61.759 62.300 0.342 0.000 0.987 188 V CB 1.395 33.456 31.823 0.396 0.000 1.006 188 V HN 0.868 nan 8.190 nan 0.000 0.472 189 L N 2.567 123.897 121.223 0.178 0.000 2.354 189 L HA 0.663 5.003 4.340 -0.000 0.000 0.269 189 L C 0.988 177.818 176.870 -0.067 0.000 1.005 189 L CA -0.827 54.037 54.840 0.041 0.000 0.819 189 L CB 1.945 43.916 42.059 -0.147 0.000 1.311 189 L HN 0.497 nan 8.230 nan 0.000 0.423 190 R N 1.233 121.588 120.500 -0.241 0.000 2.051 190 R HA 0.076 4.416 4.340 -0.000 0.000 0.225 190 R C -0.448 175.526 176.300 -0.544 0.000 1.155 190 R CA 1.360 57.058 56.100 -0.669 0.000 0.945 190 R CB 0.165 29.805 30.300 -1.099 0.000 0.840 190 R HN 0.668 nan 8.270 nan 0.000 0.432 191 W N 0.364 121.705 121.300 0.067 0.000 2.570 191 W HA 0.402 5.061 4.660 -0.000 0.000 0.337 191 W C 0.017 176.652 176.519 0.194 0.000 1.067 191 W CA -0.779 56.627 57.345 0.102 0.000 1.229 191 W CB 1.325 30.842 29.460 0.095 0.000 1.355 191 W HN 0.058 nan 8.180 nan 0.000 0.555 192 S N -0.776 115.218 115.700 0.489 0.000 2.752 192 S HA 0.202 4.672 4.470 -0.000 0.000 0.284 192 S C 0.467 175.346 174.600 0.465 0.000 1.189 192 S CA -0.487 58.019 58.200 0.510 0.000 0.835 192 S CB 1.173 64.634 63.200 0.435 0.000 1.192 192 S HN 0.650 nan 8.310 nan 0.000 0.506 193 D N 0.323 120.978 120.400 0.426 0.000 2.309 193 D HA -0.018 4.622 4.640 -0.000 0.000 0.212 193 D C 1.794 178.391 176.300 0.496 0.000 0.968 193 D CA 1.245 55.521 54.000 0.460 0.000 0.882 193 D CB -0.984 39.953 40.800 0.228 0.000 0.918 193 D HN 0.704 nan 8.370 nan 0.000 0.503 194 G N 1.175 110.200 108.800 0.377 0.000 2.440 194 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 194 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 194 G C 1.827 176.927 174.900 0.333 0.000 1.154 194 G CA 1.052 46.345 45.100 0.321 0.000 0.767 194 G HN 0.299 nan 8.290 nan 0.000 0.552 195 S N 0.097 115.994 115.700 0.329 0.000 2.413 195 S HA -0.194 4.275 4.470 -0.000 0.000 0.237 195 S C 1.919 176.661 174.600 0.238 0.000 1.044 195 S CA 1.457 59.818 58.200 0.268 0.000 1.024 195 S CB -0.422 62.922 63.200 0.240 0.000 0.829 195 S HN 0.572 nan 8.310 nan 0.000 0.475 196 Y N 0.464 120.872 120.300 0.180 0.000 2.546 196 Y HA 0.239 4.789 4.550 -0.000 0.000 0.287 196 Y C 1.532 177.553 175.900 0.201 0.000 1.158 196 Y CA 0.324 58.493 58.100 0.114 0.000 1.307 196 Y CB -0.139 38.208 38.460 -0.188 0.000 1.036 196 Y HN 0.192 nan 8.280 nan 0.000 0.532 197 L N -0.281 121.145 121.223 0.338 0.000 2.640 197 L HA 0.158 4.498 4.340 -0.000 0.000 0.230 197 L C -0.086 176.915 176.870 0.219 0.000 1.123 197 L CA 0.379 55.365 54.840 0.243 0.000 0.900 197 L CB 0.182 42.377 42.059 0.226 0.000 1.146 197 L HN 0.129 nan 8.230 nan 0.000 0.484 198 E N -0.227 120.114 120.200 0.234 0.000 3.786 198 E HA 0.076 4.426 4.350 -0.000 0.000 0.215 198 E C -0.632 176.058 176.600 0.150 0.000 1.188 198 E CA -0.100 56.415 56.400 0.192 0.000 1.248 198 E CB 0.563 30.369 29.700 0.177 0.000 1.260 198 E HN -0.042 nan 8.360 nan 0.000 0.426 199 D N 1.488 121.937 120.400 0.082 0.000 2.561 199 D HA 0.026 4.666 4.640 -0.000 0.000 0.232 199 D C -0.231 176.055 176.300 -0.023 0.000 1.198 199 D CA -0.164 53.790 54.000 -0.077 0.000 0.826 199 D CB 0.155 40.715 40.800 -0.400 0.000 0.992 199 D HN 0.146 nan 8.370 nan 0.000 0.490 200 Q N 0.412 120.282 119.800 0.115 0.000 2.386 200 Q HA 0.074 4.414 4.340 -0.000 0.000 0.282 200 Q C -0.062 176.018 176.000 0.133 0.000 1.050 200 Q CA 0.221 56.157 55.803 0.222 0.000 0.918 200 Q CB 0.513 29.538 28.738 0.478 0.000 1.266 200 Q HN 0.089 nan 8.270 nan 0.000 0.423 201 D N 3.068 123.575 120.400 0.179 0.000 2.441 201 D HA 0.177 4.816 4.640 -0.000 0.000 0.243 201 D C -0.521 175.883 176.300 0.174 0.000 1.257 201 D CA 0.004 54.058 54.000 0.090 0.000 1.027 201 D CB -0.210 40.666 40.800 0.126 0.000 1.084 201 D HN 0.480 nan 8.370 nan 0.000 0.514 202 M N 1.025 120.653 119.600 0.047 0.000 3.472 202 M HA 0.317 4.797 4.480 -0.000 0.000 0.293 202 M C -1.518 174.829 176.300 0.078 0.000 1.316 202 M CA -0.993 54.341 55.300 0.056 0.000 0.857 202 M CB 0.689 33.212 32.600 -0.130 0.000 1.708 202 M HN 0.036 nan 8.290 nan 0.000 0.505 203 W N 2.542 123.951 121.300 0.182 0.000 2.308 203 W HA 0.315 4.975 4.660 -0.000 0.000 0.324 203 W C 0.327 176.847 176.519 0.001 0.000 1.387 203 W CA -0.131 57.292 57.345 0.129 0.000 1.250 203 W CB 0.403 29.883 29.460 0.033 0.000 1.257 203 W HN 0.288 nan 8.180 nan 0.000 0.554 204 R N 5.309 125.961 120.500 0.252 0.000 2.248 204 R HA 0.271 4.610 4.340 -0.000 0.000 0.337 204 R C -0.024 176.292 176.300 0.027 0.000 1.106 204 R CA 0.010 56.191 56.100 0.135 0.000 0.959 204 R CB -0.288 30.141 30.300 0.216 0.000 1.075 204 R HN 0.585 nan 8.270 nan 0.000 0.480 205 M N 0.196 119.715 119.600 -0.135 0.000 2.341 205 M HA 0.431 4.911 4.480 -0.000 0.000 0.221 205 M C 0.173 176.167 176.300 -0.510 0.000 0.772 205 M CA -0.508 54.601 55.300 -0.318 0.000 1.742 205 M CB 1.027 33.426 32.600 -0.336 0.000 1.160 205 M HN 0.649 nan 8.290 nan 0.000 0.870 206 S N -1.530 113.771 115.700 -0.665 0.000 2.707 206 S HA 0.653 5.123 4.470 -0.000 0.000 0.270 206 S C -0.722 173.455 174.600 -0.704 0.000 1.031 206 S CA -0.362 57.366 58.200 -0.788 0.000 0.866 206 S CB 0.598 63.117 63.200 -1.136 0.000 1.114 206 S HN 1.666 nan 8.310 nan 0.000 0.465 207 G N 0.382 108.962 108.800 -0.366 0.000 2.331 207 G HA2 0.198 4.158 3.960 -0.000 0.000 0.479 207 G HA3 0.198 4.158 3.960 -0.000 0.000 0.479 207 G C -1.376 173.550 174.900 0.043 0.000 1.262 207 G CA -0.483 44.714 45.100 0.162 0.000 1.029 207 G HN 1.425 nan 8.290 nan 0.000 0.487 208 I N 2.286 122.782 120.570 -0.124 0.000 2.316 208 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 208 I C 1.259 177.327 176.117 -0.082 0.000 1.107 208 I CA -0.446 60.687 61.300 -0.278 0.000 1.219 208 I CB 0.128 37.697 38.000 -0.719 0.000 1.455 208 I HN 0.504 nan 8.210 nan 0.000 0.498 209 F N 4.146 123.986 119.950 -0.183 0.000 2.789 209 F HA 0.341 4.868 4.527 -0.000 0.000 0.300 209 F C 0.752 176.512 175.800 -0.067 0.000 1.132 209 F CA -0.457 57.470 58.000 -0.121 0.000 1.404 209 F CB -0.377 38.558 39.000 -0.109 0.000 1.114 209 F HN 0.118 nan 8.300 nan 0.000 0.584 210 R N 0.626 120.814 120.500 -0.518 0.000 2.923 210 R HA 0.332 4.672 4.340 -0.000 0.000 0.252 210 R C -0.826 175.358 176.300 -0.193 0.000 1.130 210 R CA -1.098 54.797 56.100 -0.342 0.000 1.043 210 R CB 0.430 30.487 30.300 -0.405 0.000 1.205 210 R HN -0.001 nan 8.270 nan 0.000 0.495 211 D N 0.234 120.570 120.400 -0.106 0.000 2.390 211 D HA 0.157 4.797 4.640 -0.000 0.000 0.236 211 D C -0.585 175.639 176.300 -0.126 0.000 1.189 211 D CA 0.223 54.175 54.000 -0.081 0.000 0.887 211 D CB 0.477 41.259 40.800 -0.029 0.000 1.198 211 D HN 0.005 nan 8.370 nan 0.000 0.444 212 V N 0.983 120.831 119.914 -0.110 0.000 2.443 212 V HA 0.506 4.626 4.120 -0.000 0.000 0.293 212 V C -0.514 175.510 176.094 -0.117 0.000 1.021 212 V CA -0.582 61.611 62.300 -0.178 0.000 0.848 212 V CB 1.435 33.153 31.823 -0.174 0.000 0.998 212 V HN 0.641 nan 8.190 nan 0.000 0.424 213 S N 5.150 120.750 115.700 -0.166 0.000 2.599 213 S HA 0.777 5.247 4.470 -0.000 0.000 0.287 213 S C -0.921 173.639 174.600 -0.068 0.000 1.105 213 S CA -0.819 57.331 58.200 -0.083 0.000 0.899 213 S CB 2.210 65.391 63.200 -0.032 0.000 1.100 213 S HN 0.482 nan 8.310 nan 0.000 0.482 214 L N 2.150 123.389 121.223 0.025 0.000 2.313 214 L HA 0.618 4.958 4.340 -0.000 0.000 0.283 214 L C -1.375 175.613 176.870 0.197 0.000 1.013 214 L CA -0.840 54.080 54.840 0.134 0.000 0.816 214 L CB 1.587 43.798 42.059 0.253 0.000 1.236 214 L HN 0.535 nan 8.230 nan 0.000 0.419 215 L N 3.246 124.538 121.223 0.115 0.000 2.381 215 L HA 0.453 4.793 4.340 -0.000 0.000 0.274 215 L C -0.887 175.889 176.870 -0.156 0.000 0.988 215 L CA -0.252 54.597 54.840 0.015 0.000 0.824 215 L CB 1.622 43.692 42.059 0.019 0.000 1.263 215 L HN 0.458 nan 8.230 nan 0.000 0.410 216 H N 4.434 123.178 119.070 -0.544 0.000 2.556 216 H HA 0.547 5.103 4.556 -0.000 0.000 0.310 216 H C -1.043 173.993 175.328 -0.486 0.000 1.057 216 H CA -0.184 55.355 56.048 -0.848 0.000 1.264 216 H CB 0.732 29.292 29.762 -2.004 0.000 1.404 216 H HN 0.556 nan 8.280 nan 0.000 0.462 217 K N 5.472 125.441 120.400 -0.719 0.000 2.340 217 K HA 0.384 4.704 4.320 -0.000 0.000 0.244 217 K C -2.861 173.420 176.600 -0.533 0.000 0.973 217 K CA -2.137 53.856 56.287 -0.489 0.000 0.828 217 K CB 2.014 34.303 32.500 -0.350 0.000 1.226 217 K HN 0.483 nan 8.250 nan 0.000 0.437 218 P HA 0.153 nan 4.420 nan 0.000 0.286 218 P C 0.194 177.376 177.300 -0.196 0.000 1.261 218 P CA -0.294 62.670 63.100 -0.227 0.000 0.821 218 P CB 0.682 32.304 31.700 -0.131 0.000 1.013 219 T N -0.960 113.505 114.554 -0.149 0.000 2.803 219 T HA -0.072 4.278 4.350 -0.000 0.000 0.269 219 T C 0.740 175.369 174.700 -0.119 0.000 1.052 219 T CA 1.567 63.593 62.100 -0.123 0.000 1.136 219 T CB -0.663 68.155 68.868 -0.084 0.000 0.864 219 T HN 0.375 nan 8.240 nan 0.000 0.467 220 T N 3.377 117.866 114.554 -0.109 0.000 2.801 220 T HA 0.456 4.805 4.350 -0.000 0.000 0.306 220 T C -0.246 174.379 174.700 -0.124 0.000 1.020 220 T CA -0.775 61.254 62.100 -0.119 0.000 0.948 220 T CB 0.786 69.592 68.868 -0.104 0.000 0.962 220 T HN 0.523 nan 8.240 nan 0.000 0.465 221 Q N 2.838 122.548 119.800 -0.150 0.000 2.687 221 Q HA 0.602 4.942 4.340 -0.000 0.000 0.305 221 Q C -1.148 174.757 176.000 -0.157 0.000 1.006 221 Q CA -1.182 54.524 55.803 -0.161 0.000 0.763 221 Q CB 1.337 29.939 28.738 -0.226 0.000 1.506 221 Q HN 0.430 nan 8.270 nan 0.000 0.459 222 I N 2.409 122.866 120.570 -0.189 0.000 2.416 222 I HA 0.071 4.241 4.170 -0.000 0.000 0.288 222 I C 0.626 176.562 176.117 -0.301 0.000 1.051 222 I CA -0.051 61.158 61.300 -0.151 0.000 1.375 222 I CB 1.215 39.128 38.000 -0.145 0.000 1.407 222 I HN 0.887 nan 8.210 nan 0.000 0.516 223 S N 2.458 118.107 115.700 -0.086 0.000 2.559 223 S HA 0.221 4.691 4.470 -0.000 0.000 0.226 223 S C -0.009 174.763 174.600 0.287 0.000 1.030 223 S CA -0.314 57.865 58.200 -0.035 0.000 0.956 223 S CB 0.373 63.552 63.200 -0.034 0.000 0.900 223 S HN 0.752 nan 8.310 nan 0.000 0.510 224 D N -0.185 120.432 120.400 0.362 0.000 2.783 224 D HA 0.471 5.111 4.640 -0.000 0.000 0.253 224 D C -1.968 174.553 176.300 0.368 0.000 1.206 224 D CA -0.624 53.602 54.000 0.376 0.000 0.740 224 D CB 1.149 42.072 40.800 0.205 0.000 1.313 224 D HN 0.258 nan 8.370 nan 0.000 0.427 225 F N -0.503 119.547 119.950 0.168 0.000 2.652 225 F HA 0.492 5.019 4.527 -0.000 0.000 0.320 225 F C -1.652 174.279 175.800 0.219 0.000 1.115 225 F CA -0.789 57.240 58.000 0.048 0.000 1.053 225 F CB 0.576 39.620 39.000 0.074 0.000 1.297 225 F HN 0.277 nan 8.300 nan 0.000 0.471 226 H N 2.247 121.377 119.070 0.100 0.000 2.499 226 H HA 0.851 5.407 4.556 -0.000 0.000 0.340 226 H C -0.916 174.457 175.328 0.075 0.000 1.148 226 H CA -1.605 54.448 56.048 0.008 0.000 1.215 226 H CB 2.615 32.362 29.762 -0.024 0.000 1.529 226 H HN 0.580 nan 8.280 nan 0.000 0.510 227 V N 0.959 120.963 119.914 0.150 0.000 2.919 227 V HA 0.792 4.912 4.120 -0.000 0.000 0.316 227 V C -0.345 175.745 176.094 -0.006 0.000 1.077 227 V CA -0.630 61.709 62.300 0.065 0.000 0.977 227 V CB 1.730 33.577 31.823 0.040 0.000 1.039 227 V HN 1.002 nan 8.190 nan 0.000 0.441 228 A N 1.635 124.419 122.820 -0.060 0.000 2.604 228 A HA 0.903 5.222 4.320 -0.000 0.000 0.295 228 A C -0.591 176.900 177.584 -0.154 0.000 1.067 228 A CA -0.176 51.812 52.037 -0.082 0.000 0.683 228 A CB 2.225 21.200 19.000 -0.042 0.000 1.281 228 A HN 1.105 nan 8.150 nan 0.000 0.407 229 T N -0.355 114.099 114.554 -0.166 0.000 2.928 229 T HA 0.760 5.110 4.350 -0.000 0.000 0.296 229 T C -0.711 173.748 174.700 -0.402 0.000 1.000 229 T CA -0.754 61.171 62.100 -0.291 0.000 0.989 229 T CB 1.146 69.828 68.868 -0.310 0.000 1.005 229 T HN 0.817 nan 8.240 nan 0.000 0.442 230 R N 2.155 122.347 120.500 -0.514 0.000 2.778 230 R HA 0.820 5.160 4.340 -0.000 0.000 0.277 230 R C -1.231 174.609 176.300 -0.767 0.000 0.977 230 R CA -0.875 54.942 56.100 -0.472 0.000 0.950 230 R CB 1.535 31.714 30.300 -0.202 0.000 1.165 230 R HN 0.537 nan 8.270 nan 0.000 0.474 231 F N -0.012 119.893 119.950 -0.074 0.000 2.640 231 F HA 0.375 4.902 4.527 -0.000 0.000 0.324 231 F C 0.396 176.041 175.800 -0.259 0.000 1.077 231 F CA -1.270 56.613 58.000 -0.195 0.000 0.965 231 F CB 0.811 39.550 39.000 -0.436 0.000 1.351 231 F HN 0.500 nan 8.300 nan 0.000 0.487 232 N N -0.101 118.554 118.700 -0.075 0.000 2.418 232 N HA 0.093 4.833 4.740 -0.000 0.000 0.283 232 N C 0.406 175.792 175.510 -0.206 0.000 1.267 232 N CA -0.279 52.708 53.050 -0.105 0.000 0.975 232 N CB -0.092 38.361 38.487 -0.057 0.000 1.167 232 N HN 0.664 nan 8.380 nan 0.000 0.581 233 D N -1.809 118.524 120.400 -0.111 0.000 2.354 233 D HA -0.196 4.444 4.640 -0.000 0.000 0.216 233 D C 0.038 176.303 176.300 -0.058 0.000 0.970 233 D CA 1.150 55.100 54.000 -0.083 0.000 0.905 233 D CB -0.387 40.404 40.800 -0.015 0.000 0.903 233 D HN 0.709 nan 8.370 nan 0.000 0.508 234 D N -1.934 118.421 120.400 -0.075 0.000 2.538 234 D HA -0.011 4.629 4.640 -0.000 0.000 0.241 234 D C 0.257 176.738 176.300 0.302 0.000 1.297 234 D CA -0.695 53.388 54.000 0.138 0.000 0.804 234 D CB -0.890 39.983 40.800 0.123 0.000 1.122 234 D HN 0.150 nan 8.370 nan 0.000 0.519 235 F N 0.880 120.873 119.950 0.070 0.000 2.884 235 F HA -0.278 4.249 4.527 -0.000 0.000 0.294 235 F C 1.623 177.472 175.800 0.083 0.000 0.723 235 F CA 0.770 58.808 58.000 0.064 0.000 1.294 235 F CB -2.579 36.347 39.000 -0.123 0.000 1.551 235 F HN 0.123 nan 8.300 nan 0.000 0.363 236 S N -0.817 114.972 115.700 0.148 0.000 2.527 236 S HA 0.177 4.647 4.470 -0.000 0.000 0.222 236 S C 0.620 175.255 174.600 0.058 0.000 0.985 236 S CA 0.156 58.412 58.200 0.093 0.000 0.921 236 S CB 0.301 63.537 63.200 0.060 0.000 0.772 236 S HN 0.374 nan 8.310 nan 0.000 0.529 237 R N 0.633 121.171 120.500 0.065 0.000 2.515 237 R HA 0.740 5.080 4.340 -0.000 0.000 0.278 237 R C -1.333 174.976 176.300 0.014 0.000 1.107 237 R CA -0.247 55.861 56.100 0.013 0.000 0.945 237 R CB 1.486 31.776 30.300 -0.016 0.000 1.219 237 R HN 0.200 nan 8.270 nan 0.000 0.434 238 A N 1.803 124.587 122.820 -0.059 0.000 2.386 238 A HA 0.826 5.146 4.320 -0.000 0.000 0.308 238 A C -0.891 176.610 177.584 -0.140 0.000 1.128 238 A CA -0.748 51.187 52.037 -0.171 0.000 0.789 238 A CB 2.055 20.942 19.000 -0.188 0.000 1.325 238 A HN 0.318 nan 8.150 nan 0.000 0.437 239 V N 1.630 121.443 119.914 -0.169 0.000 2.443 239 V HA 0.372 4.492 4.120 -0.000 0.000 0.293 239 V C -0.909 175.133 176.094 -0.087 0.000 1.021 239 V CA -0.426 61.812 62.300 -0.104 0.000 0.848 239 V CB 1.241 32.994 31.823 -0.117 0.000 0.998 239 V HN 0.810 nan 8.190 nan 0.000 0.424 240 L N 4.677 125.886 121.223 -0.024 0.000 2.276 240 L HA 0.584 4.923 4.340 -0.000 0.000 0.286 240 L C -0.048 176.780 176.870 -0.070 0.000 1.061 240 L CA 0.418 55.223 54.840 -0.059 0.000 0.807 240 L CB 1.086 43.130 42.059 -0.025 0.000 1.177 240 L HN 0.808 nan 8.230 nan 0.000 0.429 241 E N 4.299 124.454 120.200 -0.076 0.000 2.182 241 E HA 0.676 5.026 4.350 -0.000 0.000 0.258 241 E C -1.490 175.093 176.600 -0.029 0.000 0.879 241 E CA -0.739 55.630 56.400 -0.052 0.000 0.754 241 E CB 1.288 30.958 29.700 -0.050 0.000 1.162 241 E HN 0.851 nan 8.360 nan 0.000 0.419 242 A N 4.557 127.363 122.820 -0.024 0.000 2.288 242 A HA 0.366 4.686 4.320 -0.000 0.000 0.320 242 A C -0.571 177.003 177.584 -0.016 0.000 1.217 242 A CA -0.664 51.377 52.037 0.006 0.000 0.840 242 A CB 0.990 19.985 19.000 -0.008 0.000 1.179 242 A HN 0.738 nan 8.150 nan 0.000 0.504 243 E N 2.744 122.937 120.200 -0.012 0.000 2.145 243 E HA 0.561 4.910 4.350 -0.000 0.000 0.270 243 E C -1.519 175.034 176.600 -0.080 0.000 0.906 243 E CA -0.488 55.864 56.400 -0.081 0.000 0.761 243 E CB 1.363 30.970 29.700 -0.154 0.000 1.116 243 E HN 0.353 nan 8.360 nan 0.000 0.408 244 V N 4.155 124.040 119.914 -0.048 0.000 2.628 244 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 244 V C -0.286 175.866 176.094 0.098 0.000 1.045 244 V CA -0.794 61.528 62.300 0.036 0.000 0.905 244 V CB 1.677 33.495 31.823 -0.008 0.000 0.997 244 V HN 0.771 nan 8.190 nan 0.000 0.436 245 Q N 3.478 123.354 119.800 0.125 0.000 2.377 245 Q HA 0.829 5.168 4.340 -0.000 0.000 0.271 245 Q C -0.826 175.238 176.000 0.107 0.000 1.077 245 Q CA -0.832 55.038 55.803 0.112 0.000 0.820 245 Q CB 2.700 31.432 28.738 -0.009 0.000 1.347 245 Q HN 0.840 nan 8.270 nan 0.000 0.444 246 M N -1.029 118.548 119.600 -0.039 0.000 2.690 246 M HA 0.778 5.258 4.480 -0.000 0.000 0.302 246 M C -1.372 174.812 176.300 -0.194 0.000 1.234 246 M CA -0.490 54.700 55.300 -0.183 0.000 0.853 246 M CB 1.987 34.333 32.600 -0.422 0.000 1.748 246 M HN 0.537 nan 8.290 nan 0.000 0.469 247 C N 1.040 120.230 119.300 -0.183 0.000 2.712 247 C HA 1.009 5.469 4.460 -0.000 0.000 0.308 247 C C 0.534 175.426 174.990 -0.164 0.000 1.201 247 C CA 0.859 59.787 59.018 -0.150 0.000 1.554 247 C CB 1.086 28.753 27.740 -0.122 0.000 2.117 247 C HN 1.445 nan 8.230 nan 0.000 0.480 248 G N 2.910 111.627 108.800 -0.137 0.000 2.428 248 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.202 248 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.202 248 G C -0.929 173.892 174.900 -0.132 0.000 1.247 248 G CA -0.660 44.366 45.100 -0.125 0.000 1.020 248 G HN 0.827 nan 8.290 nan 0.000 0.529 249 E N 0.189 120.318 120.200 -0.117 0.000 2.166 249 E HA 0.417 4.767 4.350 -0.000 0.000 0.279 249 E C 0.578 177.077 176.600 -0.168 0.000 1.095 249 E CA -0.207 56.126 56.400 -0.113 0.000 0.888 249 E CB 0.637 30.294 29.700 -0.072 0.000 1.041 249 E HN 0.457 nan 8.360 nan 0.000 0.414 250 L N 4.551 125.666 121.223 -0.180 0.000 2.380 250 L HA 0.286 4.626 4.340 -0.000 0.000 0.273 250 L C 0.212 176.960 176.870 -0.204 0.000 1.138 250 L CA 0.335 55.037 54.840 -0.229 0.000 0.832 250 L CB 0.345 42.287 42.059 -0.195 0.000 1.124 250 L HN 0.490 nan 8.230 nan 0.000 0.454 251 R N 1.789 122.115 120.500 -0.289 0.000 2.698 251 R HA 0.142 4.481 4.340 -0.000 0.000 0.275 251 R C -0.041 176.071 176.300 -0.315 0.000 1.001 251 R CA -0.700 55.190 56.100 -0.351 0.000 0.896 251 R CB 1.627 31.562 30.300 -0.607 0.000 1.218 251 R HN 0.697 nan 8.270 nan 0.000 0.462 252 D N 1.572 121.897 120.400 -0.126 0.000 2.350 252 D HA -0.161 4.479 4.640 -0.000 0.000 0.216 252 D C 0.979 177.273 176.300 -0.009 0.000 0.968 252 D CA 1.257 55.239 54.000 -0.028 0.000 0.894 252 D CB 0.123 40.955 40.800 0.053 0.000 0.909 252 D HN 0.711 nan 8.370 nan 0.000 0.520 253 Y N -0.174 120.123 120.300 -0.004 0.000 2.466 253 Y HA 0.390 4.940 4.550 -0.000 0.000 0.272 253 Y C 0.799 176.676 175.900 -0.040 0.000 1.169 253 Y CA -0.922 57.166 58.100 -0.020 0.000 1.285 253 Y CB -0.430 38.020 38.460 -0.017 0.000 1.078 253 Y HN -0.233 nan 8.280 nan 0.000 0.523 254 L N 2.396 123.414 121.223 -0.343 0.000 2.417 254 L HA 0.384 4.724 4.340 -0.000 0.000 0.268 254 L C 0.015 176.831 176.870 -0.091 0.000 1.158 254 L CA -0.310 54.424 54.840 -0.176 0.000 0.819 254 L CB 0.545 42.540 42.059 -0.107 0.000 1.112 254 L HN 0.148 nan 8.230 nan 0.000 0.458 255 R N 1.482 121.856 120.500 -0.211 0.000 2.869 255 R HA 0.744 5.084 4.340 -0.000 0.000 0.263 255 R C -1.486 174.651 176.300 -0.272 0.000 1.066 255 R CA -0.984 54.931 56.100 -0.308 0.000 0.960 255 R CB 1.995 31.958 30.300 -0.562 0.000 1.221 255 R HN 0.256 nan 8.270 nan 0.000 0.474 256 V N 0.685 120.459 119.914 -0.232 0.000 2.623 256 V HA 0.515 4.634 4.120 -0.000 0.000 0.304 256 V C -0.741 175.357 176.094 0.007 0.000 1.054 256 V CA -0.590 61.632 62.300 -0.131 0.000 0.882 256 V CB 2.334 33.943 31.823 -0.356 0.000 1.002 256 V HN 0.761 nan 8.190 nan 0.000 0.424 257 T N 4.046 118.661 114.554 0.102 0.000 2.823 257 T HA 0.666 5.015 4.350 -0.000 0.000 0.279 257 T C -0.628 174.054 174.700 -0.030 0.000 0.998 257 T CA -0.536 61.586 62.100 0.037 0.000 0.994 257 T CB 1.937 70.818 68.868 0.021 0.000 0.960 257 T HN 0.314 nan 8.240 nan 0.000 0.448 258 V N 3.530 123.416 119.914 -0.047 0.000 2.409 258 V HA 0.501 4.621 4.120 -0.000 0.000 0.290 258 V C -0.430 175.634 176.094 -0.050 0.000 1.017 258 V CA -0.696 61.569 62.300 -0.057 0.000 0.841 258 V CB 1.631 33.410 31.823 -0.075 0.000 1.003 258 V HN 1.088 nan 8.190 nan 0.000 0.426 259 S N 5.902 121.593 115.700 -0.017 0.000 2.482 259 S HA 0.804 5.274 4.470 -0.000 0.000 0.303 259 S C -0.835 173.755 174.600 -0.017 0.000 1.091 259 S CA -0.689 57.475 58.200 -0.060 0.000 1.057 259 S CB 2.284 65.466 63.200 -0.031 0.000 1.031 259 S HN 0.513 nan 8.310 nan 0.000 0.485 260 L N 2.869 124.008 121.223 -0.139 0.000 2.298 260 L HA 0.670 5.010 4.340 -0.000 0.000 0.284 260 L C -1.678 175.146 176.870 -0.076 0.000 1.013 260 L CA -0.282 54.555 54.840 -0.005 0.000 0.824 260 L CB 0.382 42.429 42.059 -0.020 0.000 1.221 260 L HN 0.811 nan 8.230 nan 0.000 0.418 261 W N 3.266 124.642 121.300 0.128 0.000 2.509 261 W HA 0.574 5.234 4.660 -0.000 0.000 0.351 261 W C -0.088 176.576 176.519 0.242 0.000 1.107 261 W CA -0.379 57.050 57.345 0.139 0.000 1.264 261 W CB 1.167 30.663 29.460 0.060 0.000 1.312 261 W HN 0.464 nan 8.180 nan 0.000 0.608 262 Q N 1.957 122.012 119.800 0.426 0.000 3.075 262 Q HA 0.448 4.787 4.340 -0.000 0.000 0.318 262 Q C 0.497 176.593 176.000 0.160 0.000 0.907 262 Q CA 0.534 56.462 55.803 0.208 0.000 0.882 262 Q CB 0.167 29.002 28.738 0.162 0.000 1.386 262 Q HN 0.741 nan 8.270 nan 0.000 0.408 263 G N 1.555 110.451 108.800 0.160 0.000 2.588 263 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.273 263 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.273 263 G C 0.469 175.456 174.900 0.145 0.000 1.211 263 G CA 0.229 45.386 45.100 0.095 0.000 0.958 263 G HN 0.496 nan 8.290 nan 0.000 0.543 264 E N 1.133 121.414 120.200 0.135 0.000 2.479 264 E HA 0.183 4.533 4.350 -0.000 0.000 0.193 264 E C 0.389 177.218 176.600 0.381 0.000 1.049 264 E CA 0.483 56.977 56.400 0.157 0.000 0.870 264 E CB 0.313 30.053 29.700 0.068 0.000 0.944 264 E HN 0.293 nan 8.360 nan 0.000 0.492 265 T N 1.020 115.799 114.554 0.374 0.000 2.829 265 T HA 0.163 4.513 4.350 -0.000 0.000 0.282 265 T C -0.374 174.438 174.700 0.186 0.000 0.990 265 T CA -0.365 61.903 62.100 0.279 0.000 1.028 265 T CB 1.640 70.587 68.868 0.131 0.000 0.951 265 T HN 0.008 nan 8.240 nan 0.000 0.460 266 Q N 3.211 122.800 119.800 -0.350 0.000 2.303 266 Q HA 0.418 4.758 4.340 -0.000 0.000 0.257 266 Q C -0.021 175.721 176.000 -0.431 0.000 0.941 266 Q CA -0.480 54.731 55.803 -0.987 0.000 0.931 266 Q CB 0.889 28.810 28.738 -1.361 0.000 1.215 266 Q HN 0.484 nan 8.270 nan 0.000 0.437 267 V N 2.735 122.457 119.914 -0.321 0.000 2.949 267 V HA 0.377 4.497 4.120 -0.000 0.000 0.245 267 V C 0.150 176.144 176.094 -0.167 0.000 1.086 267 V CA 1.057 63.267 62.300 -0.151 0.000 1.097 267 V CB 0.608 32.416 31.823 -0.024 0.000 0.762 267 V HN 0.814 nan 8.190 nan 0.000 0.470 268 A N -1.154 121.538 122.820 -0.214 0.000 2.577 268 A HA 0.744 5.063 4.320 -0.000 0.000 0.297 268 A C -0.814 176.659 177.584 -0.185 0.000 1.060 268 A CA -0.176 51.761 52.037 -0.167 0.000 0.697 268 A CB 1.930 20.859 19.000 -0.119 0.000 1.281 268 A HN 0.014 nan 8.150 nan 0.000 0.402 269 S N -0.271 115.343 115.700 -0.143 0.000 2.536 269 S HA 0.840 5.310 4.470 -0.000 0.000 0.271 269 S C -0.441 174.108 174.600 -0.085 0.000 1.134 269 S CA 0.183 58.310 58.200 -0.121 0.000 0.897 269 S CB 1.756 64.881 63.200 -0.125 0.000 1.094 269 S HN 2.161 nan 8.310 nan 0.000 0.473 270 G N 1.934 110.692 108.800 -0.070 0.000 2.731 270 G HA2 0.615 4.575 3.960 -0.000 0.000 0.298 270 G HA3 0.615 4.575 3.960 -0.000 0.000 0.298 270 G C -1.269 173.602 174.900 -0.048 0.000 1.424 270 G CA -0.397 44.667 45.100 -0.059 0.000 1.029 270 G HN 0.662 nan 8.290 nan 0.000 0.518 271 T N 0.038 114.569 114.554 -0.038 0.000 2.893 271 T HA 0.897 5.247 4.350 -0.000 0.000 0.291 271 T C -0.053 174.613 174.700 -0.057 0.000 1.028 271 T CA 0.063 62.149 62.100 -0.023 0.000 0.995 271 T CB 1.903 70.785 68.868 0.022 0.000 1.051 271 T HN 1.540 nan 8.240 nan 0.000 0.470 272 A N 2.781 125.544 122.820 -0.094 0.000 2.536 272 A HA 0.946 5.266 4.320 -0.000 0.000 0.293 272 A C -3.196 174.281 177.584 -0.179 0.000 1.119 272 A CA -1.364 50.601 52.037 -0.121 0.000 0.654 272 A CB 1.040 19.960 19.000 -0.133 0.000 1.291 272 A HN 0.560 nan 8.150 nan 0.000 0.439 273 P HA 0.710 nan 4.420 nan 0.000 0.290 273 P C -0.801 176.388 177.300 -0.185 0.000 1.307 273 P CA -0.631 62.382 63.100 -0.146 0.000 0.948 273 P CB 0.610 32.280 31.700 -0.050 0.000 1.312 274 F N 0.500 120.410 119.950 -0.067 0.000 2.527 274 F HA 0.415 4.942 4.527 -0.000 0.000 0.316 274 F C 1.576 177.358 175.800 -0.029 0.000 1.258 274 F CA 1.865 59.834 58.000 -0.051 0.000 1.314 274 F CB -0.443 38.518 39.000 -0.065 0.000 1.200 274 F HN 0.616 nan 8.300 nan 0.000 0.577 275 G N 0.627 109.587 108.800 0.265 0.000 3.307 275 G HA2 0.342 4.302 3.960 -0.000 0.000 0.686 275 G HA3 0.342 4.302 3.960 -0.000 0.000 0.686 275 G C -0.424 174.531 174.900 0.090 0.000 0.983 275 G CA -0.644 44.545 45.100 0.149 0.000 0.804 275 G HN 1.133 nan 8.290 nan 0.000 0.531 276 G N 0.567 109.429 108.800 0.103 0.000 3.075 276 G HA2 0.772 4.732 3.960 -0.000 0.000 0.253 276 G HA3 0.772 4.732 3.960 -0.000 0.000 0.253 276 G C 0.058 174.990 174.900 0.053 0.000 1.353 276 G CA -0.375 44.768 45.100 0.073 0.000 1.051 276 G HN 0.874 nan 8.290 nan 0.000 0.553 277 E N -1.028 119.198 120.200 0.043 0.000 2.458 277 E HA 0.018 4.368 4.350 -0.000 0.000 0.264 277 E C -0.220 176.391 176.600 0.018 0.000 1.097 277 E CA 0.419 56.834 56.400 0.025 0.000 0.973 277 E CB 0.860 30.573 29.700 0.022 0.000 0.963 277 E HN 0.189 nan 8.360 nan 0.000 0.451 278 I N 3.427 123.997 120.570 -0.001 0.000 2.396 278 I HA -0.060 4.110 4.170 -0.000 0.000 0.289 278 I C 1.281 177.389 176.117 -0.014 0.000 1.056 278 I CA 0.080 61.369 61.300 -0.018 0.000 1.365 278 I CB 0.584 38.572 38.000 -0.019 0.000 1.407 278 I HN 0.543 nan 8.210 nan 0.000 0.509 279 I N 2.994 123.547 120.570 -0.028 0.000 3.616 279 I HA 0.256 4.426 4.170 -0.000 0.000 0.296 279 I C 0.083 176.184 176.117 -0.027 0.000 1.226 279 I CA 0.663 61.955 61.300 -0.014 0.000 1.394 279 I CB -0.420 37.589 38.000 0.015 0.000 1.171 279 I HN 0.527 nan 8.210 nan 0.000 0.442 280 D N 0.239 120.610 120.400 -0.049 0.000 2.781 280 D HA 0.251 4.891 4.640 -0.000 0.000 0.295 280 D C 0.430 176.704 176.300 -0.044 0.000 1.143 280 D CA -0.461 53.514 54.000 -0.042 0.000 1.076 280 D CB 0.613 41.388 40.800 -0.042 0.000 1.444 280 D HN -0.156 nan 8.370 nan 0.000 0.567 281 E N -0.927 119.251 120.200 -0.037 0.000 2.265 281 E HA -0.062 4.288 4.350 -0.000 0.000 0.196 281 E C 1.411 177.986 176.600 -0.042 0.000 0.996 281 E CA 0.963 57.343 56.400 -0.034 0.000 0.832 281 E CB -0.050 29.634 29.700 -0.026 0.000 0.756 281 E HN 0.260 nan 8.360 nan 0.000 0.491 282 R N -0.491 119.975 120.500 -0.056 0.000 2.300 282 R HA 0.266 4.605 4.340 -0.000 0.000 0.199 282 R C 0.802 177.053 176.300 -0.081 0.000 0.920 282 R CA 0.588 56.649 56.100 -0.065 0.000 1.046 282 R CB 0.853 31.111 30.300 -0.069 0.000 0.984 282 R HN 0.200 nan 8.270 nan 0.000 0.493 283 G N -0.339 108.410 108.800 -0.086 0.000 2.250 283 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.189 283 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.189 283 G C -0.465 174.361 174.900 -0.124 0.000 1.298 283 G CA -0.640 44.406 45.100 -0.090 0.000 1.246 283 G HN 0.413 nan 8.290 nan 0.000 0.513 284 G N -1.902 106.809 108.800 -0.148 0.000 2.975 284 G HA2 0.644 4.604 3.960 -0.000 0.000 0.291 284 G HA3 0.644 4.604 3.960 -0.000 0.000 0.291 284 G C -1.778 172.955 174.900 -0.278 0.000 1.334 284 G CA -0.670 44.318 45.100 -0.187 0.000 0.843 284 G HN 0.771 nan 8.290 nan 0.000 0.548 285 Y N 0.823 121.130 120.300 0.011 0.000 2.350 285 Y HA 0.477 5.027 4.550 -0.000 0.000 0.340 285 Y C 1.381 177.299 175.900 0.030 0.000 1.006 285 Y CA 0.231 58.341 58.100 0.016 0.000 1.166 285 Y CB 1.905 40.380 38.460 0.024 0.000 1.168 285 Y HN 0.568 nan 8.280 nan 0.000 0.502 286 A N 1.853 124.753 122.820 0.133 0.000 1.970 286 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 286 A C 1.106 178.746 177.584 0.092 0.000 1.170 286 A CA 1.274 53.362 52.037 0.085 0.000 0.645 286 A CB -0.290 18.717 19.000 0.012 0.000 0.816 286 A HN 0.780 nan 8.150 nan 0.000 0.447 287 D N -0.330 120.105 120.400 0.059 0.000 2.889 287 D HA 0.230 4.869 4.640 -0.000 0.000 0.243 287 D C 0.241 176.611 176.300 0.116 0.000 1.270 287 D CA -0.094 53.836 54.000 -0.118 0.000 0.838 287 D CB -0.164 40.534 40.800 -0.170 0.000 1.040 287 D HN 0.329 nan 8.370 nan 0.000 0.480 288 R N -0.946 119.800 120.500 0.410 0.000 2.734 288 R HA 0.702 5.042 4.340 -0.000 0.000 0.271 288 R C -1.778 174.669 176.300 0.246 0.000 1.021 288 R CA -1.131 55.164 56.100 0.325 0.000 0.893 288 R CB 2.650 33.003 30.300 0.088 0.000 1.244 288 R HN 0.028 nan 8.270 nan 0.000 0.464 289 V N 0.010 119.945 119.914 0.036 0.000 3.098 289 V HA 0.552 4.672 4.120 -0.000 0.000 0.294 289 V C -1.676 174.361 176.094 -0.095 0.000 1.351 289 V CA -0.231 62.015 62.300 -0.090 0.000 0.999 289 V CB 2.714 34.352 31.823 -0.309 0.000 1.104 289 V HN 0.809 nan 8.190 nan 0.000 0.438 290 T N 6.957 121.465 114.554 -0.076 0.000 2.809 290 T HA 0.720 5.070 4.350 -0.000 0.000 0.284 290 T C -0.734 173.922 174.700 -0.073 0.000 0.992 290 T CA -0.226 61.834 62.100 -0.066 0.000 0.957 290 T CB 1.157 70.001 68.868 -0.040 0.000 0.942 290 T HN 0.554 nan 8.240 nan 0.000 0.439 291 L N 2.999 124.176 121.223 -0.076 0.000 2.352 291 L HA 0.665 5.005 4.340 -0.000 0.000 0.269 291 L C 0.496 177.330 176.870 -0.059 0.000 1.034 291 L CA -0.547 54.249 54.840 -0.073 0.000 0.806 291 L CB 1.030 43.040 42.059 -0.082 0.000 1.244 291 L HN 0.433 nan 8.230 nan 0.000 0.447 292 R N 2.294 122.759 120.500 -0.057 0.000 2.500 292 R HA 0.574 4.914 4.340 -0.000 0.000 0.299 292 R C -1.646 174.620 176.300 -0.055 0.000 1.038 292 R CA -0.524 55.544 56.100 -0.054 0.000 0.903 292 R CB 1.276 31.545 30.300 -0.051 0.000 1.177 292 R HN 0.453 nan 8.270 nan 0.000 0.455 293 L N 2.694 123.884 121.223 -0.055 0.000 2.295 293 L HA 0.441 4.781 4.340 -0.000 0.000 0.285 293 L C -0.045 176.791 176.870 -0.056 0.000 1.035 293 L CA -1.043 53.763 54.840 -0.057 0.000 0.806 293 L CB 1.281 43.306 42.059 -0.057 0.000 1.214 293 L HN 0.398 nan 8.230 nan 0.000 0.426 294 N N 2.230 120.892 118.700 -0.063 0.000 2.472 294 N HA 0.361 5.101 4.740 -0.000 0.000 0.277 294 N C -0.851 174.608 175.510 -0.085 0.000 1.081 294 N CA -0.181 52.828 53.050 -0.068 0.000 0.973 294 N CB 2.290 40.740 38.487 -0.062 0.000 1.105 294 N HN 0.199 nan 8.380 nan 0.000 0.470 295 V N 2.037 121.885 119.914 -0.109 0.000 2.443 295 V HA 0.235 4.354 4.120 -0.000 0.000 0.293 295 V C 0.120 176.125 176.094 -0.148 0.000 1.021 295 V CA -0.778 61.423 62.300 -0.166 0.000 0.848 295 V CB 1.707 33.345 31.823 -0.309 0.000 0.998 295 V HN 0.538 nan 8.190 nan 0.000 0.424 296 E N 4.371 124.509 120.200 -0.104 0.000 2.229 296 E HA 0.331 4.681 4.350 -0.000 0.000 0.283 296 E C -0.199 176.369 176.600 -0.053 0.000 1.030 296 E CA -0.262 56.099 56.400 -0.064 0.000 0.836 296 E CB 0.425 30.101 29.700 -0.041 0.000 1.068 296 E HN 0.700 nan 8.360 nan 0.000 0.401 297 N N 2.854 121.539 118.700 -0.025 0.000 2.671 297 N HA -0.115 4.625 4.740 -0.000 0.000 0.261 297 N C -2.537 172.962 175.510 -0.019 0.000 1.053 297 N CA 0.241 53.292 53.050 0.001 0.000 0.732 297 N CB -1.077 37.417 38.487 0.011 0.000 0.887 297 N HN 0.371 nan 8.380 nan 0.000 0.546 298 P HA 0.157 nan 4.420 nan 0.000 0.274 298 P C -0.073 177.246 177.300 0.031 0.000 1.237 298 P CA 0.010 63.010 63.100 -0.166 0.000 0.793 298 P CB 0.952 32.314 31.700 -0.564 0.000 0.977 299 K N 1.905 122.413 120.400 0.181 0.000 2.262 299 K HA 0.356 4.676 4.320 -0.000 0.000 0.282 299 K C 0.051 176.789 176.600 0.231 0.000 1.066 299 K CA -0.513 55.864 56.287 0.150 0.000 0.901 299 K CB 0.364 32.913 32.500 0.082 0.000 1.089 299 K HN 0.390 nan 8.250 nan 0.000 0.476 300 L N 2.281 123.567 121.223 0.104 0.000 2.417 300 L HA 0.278 4.618 4.340 -0.000 0.000 0.268 300 L C 0.064 177.006 176.870 0.119 0.000 1.158 300 L CA -0.692 54.211 54.840 0.104 0.000 0.819 300 L CB 0.224 42.182 42.059 -0.170 0.000 1.112 300 L HN 0.610 nan 8.230 nan 0.000 0.458 301 W N 3.130 124.444 121.300 0.024 0.000 2.381 301 W HA 0.524 5.184 4.660 -0.000 0.000 0.329 301 W C -0.155 176.315 176.519 -0.083 0.000 1.157 301 W CA 0.108 57.459 57.345 0.010 0.000 1.240 301 W CB 1.367 30.883 29.460 0.094 0.000 1.199 301 W HN 0.660 nan 8.180 nan 0.000 0.579 302 S N 2.727 118.010 115.700 -0.695 0.000 2.595 302 S HA 0.534 5.004 4.470 -0.000 0.000 0.270 302 S C -0.002 173.945 174.600 -1.088 0.000 1.145 302 S CA -0.410 57.415 58.200 -0.625 0.000 0.825 302 S CB 0.901 63.911 63.200 -0.316 0.000 1.107 302 S HN 1.115 nan 8.310 nan 0.000 0.461 303 A N 0.855 123.176 122.820 -0.831 0.000 1.972 303 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 303 A C 1.739 179.011 177.584 -0.521 0.000 1.169 303 A CA 1.754 53.264 52.037 -0.878 0.000 0.635 303 A CB -1.017 17.291 19.000 -1.153 0.000 0.810 303 A HN 0.898 nan 8.150 nan 0.000 0.446 304 E N -0.704 119.311 120.200 -0.308 0.000 2.107 304 E HA 0.027 4.377 4.350 -0.000 0.000 0.191 304 E C -0.094 176.354 176.600 -0.253 0.000 0.982 304 E CA 0.746 56.999 56.400 -0.243 0.000 0.809 304 E CB -0.040 29.577 29.700 -0.137 0.000 0.756 304 E HN 0.630 nan 8.360 nan 0.000 0.459 305 I N 1.455 121.848 120.570 -0.296 0.000 2.595 305 I HA 0.172 4.342 4.170 -0.000 0.000 0.276 305 I C -2.628 173.243 176.117 -0.410 0.000 1.109 305 I CA -1.970 59.172 61.300 -0.264 0.000 1.084 305 I CB 1.840 39.737 38.000 -0.171 0.000 1.206 305 I HN -0.240 nan 8.210 nan 0.000 0.486 306 P HA 0.112 nan 4.420 nan 0.000 0.230 306 P C -0.420 176.821 177.300 -0.097 0.000 1.791 306 P CA -0.180 62.513 63.100 -0.678 0.000 1.020 306 P CB -0.257 31.219 31.700 -0.373 0.000 1.977 307 N N 1.777 120.464 118.700 -0.021 0.000 2.468 307 N HA 0.148 4.888 4.740 -0.000 0.000 0.265 307 N C -0.080 175.598 175.510 0.281 0.000 1.199 307 N CA 0.369 53.469 53.050 0.082 0.000 0.928 307 N CB 0.678 39.196 38.487 0.051 0.000 1.059 307 N HN 0.276 nan 8.380 nan 0.000 0.467 308 L N 2.471 123.788 121.223 0.157 0.000 2.341 308 L HA 0.477 4.817 4.340 -0.000 0.000 0.267 308 L C -0.821 176.093 176.870 0.073 0.000 1.009 308 L CA -0.862 54.105 54.840 0.211 0.000 0.819 308 L CB 1.289 43.451 42.059 0.172 0.000 1.323 308 L HN 0.417 nan 8.230 nan 0.000 0.425 309 Y N 0.410 120.831 120.300 0.201 0.000 2.587 309 Y HA 0.574 5.124 4.550 -0.000 0.000 0.337 309 Y C -0.152 175.836 175.900 0.148 0.000 1.065 309 Y CA -0.755 57.466 58.100 0.202 0.000 1.126 309 Y CB 1.874 40.507 38.460 0.288 0.000 1.279 309 Y HN 0.400 nan 8.280 nan 0.000 0.489 310 R N 1.217 121.925 120.500 0.347 0.000 2.437 310 R HA 0.819 5.159 4.340 -0.000 0.000 0.310 310 R C -1.571 174.884 176.300 0.258 0.000 0.955 310 R CA -0.460 55.777 56.100 0.229 0.000 0.851 310 R CB 0.956 31.335 30.300 0.132 0.000 1.161 310 R HN 0.774 nan 8.270 nan 0.000 0.446 311 A N 3.878 126.795 122.820 0.162 0.000 2.318 311 A HA 0.601 4.921 4.320 -0.000 0.000 0.324 311 A C -1.104 176.516 177.584 0.060 0.000 1.170 311 A CA -0.666 51.446 52.037 0.125 0.000 0.810 311 A CB 1.527 20.566 19.000 0.064 0.000 1.198 311 A HN 0.492 nan 8.150 nan 0.000 0.484 312 V N 3.041 122.999 119.914 0.072 0.000 2.417 312 V HA 0.417 4.536 4.120 -0.000 0.000 0.291 312 V C -0.418 175.638 176.094 -0.064 0.000 1.024 312 V CA -0.480 61.815 62.300 -0.009 0.000 0.861 312 V CB 1.590 33.435 31.823 0.037 0.000 0.985 312 V HN 0.617 nan 8.190 nan 0.000 0.436 313 V N 5.564 125.391 119.914 -0.145 0.000 2.313 313 V HA 0.404 4.524 4.120 -0.000 0.000 0.278 313 V C -0.056 175.978 176.094 -0.100 0.000 1.017 313 V CA -0.611 61.576 62.300 -0.189 0.000 0.823 313 V CB 1.260 32.827 31.823 -0.428 0.000 1.010 313 V HN 1.015 nan 8.190 nan 0.000 0.443 314 E N 5.010 125.183 120.200 -0.046 0.000 2.166 314 E HA 0.664 5.014 4.350 -0.000 0.000 0.275 314 E C -1.041 175.621 176.600 0.104 0.000 0.941 314 E CA -0.988 55.416 56.400 0.008 0.000 0.784 314 E CB 2.780 32.459 29.700 -0.036 0.000 1.115 314 E HN 0.417 nan 8.360 nan 0.000 0.399 315 L N 4.778 126.079 121.223 0.130 0.000 2.280 315 L HA 0.340 4.680 4.340 -0.000 0.000 0.287 315 L C -0.795 176.224 176.870 0.248 0.000 1.023 315 L CA -0.022 54.924 54.840 0.175 0.000 0.819 315 L CB 0.403 42.524 42.059 0.104 0.000 1.212 315 L HN 0.719 nan 8.230 nan 0.000 0.420 316 H N 1.049 120.144 119.070 0.042 0.000 3.015 316 H HA 0.612 5.168 4.556 -0.000 0.000 0.282 316 H C -0.995 174.385 175.328 0.087 0.000 1.508 316 H CA -0.371 55.712 56.048 0.058 0.000 1.209 316 H CB 0.647 30.436 29.762 0.047 0.000 1.869 316 H HN 0.441 nan 8.280 nan 0.000 0.591 317 T N -2.831 111.786 114.554 0.105 0.000 2.934 317 T HA 0.556 4.906 4.350 -0.000 0.000 0.283 317 T C 1.476 176.188 174.700 0.020 0.000 1.005 317 T CA -0.205 61.958 62.100 0.104 0.000 1.041 317 T CB 1.470 70.494 68.868 0.260 0.000 1.042 317 T HN 0.799 nan 8.240 nan 0.000 0.505 318 A N 1.439 124.303 122.820 0.072 0.000 1.986 318 A HA -0.154 4.165 4.320 -0.000 0.000 0.220 318 A C 1.944 179.578 177.584 0.084 0.000 1.171 318 A CA 1.875 53.941 52.037 0.049 0.000 0.640 318 A CB -0.994 18.062 19.000 0.094 0.000 0.811 318 A HN 0.981 nan 8.150 nan 0.000 0.451 319 D N -1.997 118.460 120.400 0.095 0.000 2.347 319 D HA 0.179 4.818 4.640 -0.000 0.000 0.215 319 D C 1.226 177.600 176.300 0.123 0.000 0.976 319 D CA 1.103 55.152 54.000 0.082 0.000 0.884 319 D CB -0.579 40.250 40.800 0.048 0.000 0.915 319 D HN 0.937 nan 8.370 nan 0.000 0.526 320 G N -0.252 108.684 108.800 0.228 0.000 2.148 320 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.203 320 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.203 320 G C 0.147 175.174 174.900 0.212 0.000 0.993 320 G CA 0.080 45.360 45.100 0.299 0.000 0.661 320 G HN 0.366 nan 8.290 nan 0.000 0.518 321 T N 1.731 116.408 114.554 0.206 0.000 2.727 321 T HA 0.458 4.808 4.350 -0.000 0.000 0.295 321 T C 0.471 175.286 174.700 0.191 0.000 0.915 321 T CA -0.193 61.996 62.100 0.148 0.000 1.066 321 T CB 1.260 70.191 68.868 0.105 0.000 0.891 321 T HN 0.553 nan 8.240 nan 0.000 0.516 322 L N 5.100 126.402 121.223 0.131 0.000 2.513 322 L HA 0.203 4.543 4.340 -0.000 0.000 0.272 322 L C 0.624 177.560 176.870 0.110 0.000 1.187 322 L CA 0.615 55.527 54.840 0.120 0.000 0.895 322 L CB 0.183 42.272 42.059 0.050 0.000 1.147 322 L HN 0.615 nan 8.230 nan 0.000 0.483 323 I N 2.910 123.550 120.570 0.115 0.000 3.172 323 I HA 0.278 4.448 4.170 -0.000 0.000 0.278 323 I C 0.530 176.676 176.117 0.049 0.000 1.174 323 I CA 0.437 61.782 61.300 0.075 0.000 1.445 323 I CB 0.105 38.143 38.000 0.064 0.000 1.175 323 I HN 0.741 nan 8.210 nan 0.000 0.447 324 E N -0.242 119.992 120.200 0.057 0.000 2.396 324 E HA 0.656 5.006 4.350 -0.000 0.000 0.280 324 E C -1.932 174.710 176.600 0.070 0.000 1.065 324 E CA -0.723 55.704 56.400 0.045 0.000 0.831 324 E CB 1.710 31.398 29.700 -0.020 0.000 1.272 324 E HN -0.025 nan 8.360 nan 0.000 0.443 325 A N 2.479 125.378 122.820 0.131 0.000 2.449 325 A HA 0.761 5.081 4.320 -0.000 0.000 0.302 325 A C -1.246 176.518 177.584 0.299 0.000 1.048 325 A CA -0.638 51.496 52.037 0.163 0.000 0.708 325 A CB 1.846 20.920 19.000 0.124 0.000 1.274 325 A HN 0.437 nan 8.150 nan 0.000 0.410 326 E N -0.403 119.914 120.200 0.196 0.000 2.393 326 E HA 0.837 5.187 4.350 -0.000 0.000 0.273 326 E C -0.583 176.091 176.600 0.123 0.000 0.918 326 E CA -0.345 56.242 56.400 0.312 0.000 0.773 326 E CB 2.367 32.236 29.700 0.282 0.000 1.275 326 E HN 1.261 nan 8.360 nan 0.000 0.451 327 A N 0.042 123.024 122.820 0.270 0.000 2.564 327 A HA 0.826 5.146 4.320 -0.000 0.000 0.291 327 A C -1.268 176.456 177.584 0.233 0.000 1.102 327 A CA -0.275 51.820 52.037 0.097 0.000 0.660 327 A CB 0.936 19.884 19.000 -0.086 0.000 1.283 327 A HN 1.022 nan 8.150 nan 0.000 0.430 328 C N -0.428 118.964 119.300 0.153 0.000 3.302 328 C HA 0.694 5.154 4.460 -0.000 0.000 0.347 328 C C -1.616 173.440 174.990 0.111 0.000 1.218 328 C CA -1.000 58.117 59.018 0.164 0.000 1.234 328 C CB 0.833 28.706 27.740 0.222 0.000 1.551 328 C HN 0.859 nan 8.230 nan 0.000 0.501 329 D N 1.234 121.690 120.400 0.094 0.000 2.304 329 D HA 0.560 5.200 4.640 -0.000 0.000 0.247 329 D C -0.253 176.087 176.300 0.067 0.000 1.089 329 D CA 0.151 54.210 54.000 0.099 0.000 0.910 329 D CB 1.931 42.792 40.800 0.102 0.000 1.199 329 D HN 0.579 nan 8.370 nan 0.000 0.426 330 V N 0.298 120.269 119.914 0.095 0.000 2.789 330 V HA 0.734 4.853 4.120 -0.000 0.000 0.311 330 V C 0.342 176.470 176.094 0.058 0.000 1.073 330 V CA -0.832 61.471 62.300 0.004 0.000 0.921 330 V CB 2.313 34.108 31.823 -0.045 0.000 1.009 330 V HN 0.691 nan 8.190 nan 0.000 0.426 331 G N 1.995 110.742 108.800 -0.089 0.000 2.707 331 G HA2 0.625 4.585 3.960 -0.000 0.000 0.299 331 G HA3 0.625 4.585 3.960 -0.000 0.000 0.299 331 G C -1.222 173.716 174.900 0.065 0.000 1.442 331 G CA -0.483 44.670 45.100 0.087 0.000 1.009 331 G HN 0.389 nan 8.290 nan 0.000 0.515 332 F N 2.226 122.366 119.950 0.316 0.000 2.487 332 F HA 0.434 4.961 4.527 -0.000 0.000 0.364 332 F C 1.166 177.205 175.800 0.398 0.000 1.126 332 F CA 0.110 58.351 58.000 0.402 0.000 1.135 332 F CB 0.611 39.897 39.000 0.478 0.000 1.127 332 F HN 0.372 nan 8.300 nan 0.000 0.559 333 R N 1.318 122.126 120.500 0.514 0.000 2.739 333 R HA 0.528 4.868 4.340 -0.000 0.000 0.271 333 R C -1.465 175.036 176.300 0.336 0.000 1.010 333 R CA -1.154 55.112 56.100 0.277 0.000 0.897 333 R CB 1.851 32.287 30.300 0.227 0.000 1.236 333 R HN 0.444 nan 8.270 nan 0.000 0.466 334 E N 1.770 122.083 120.200 0.188 0.000 2.216 334 E HA 0.342 4.692 4.350 -0.000 0.000 0.260 334 E C -1.327 175.364 176.600 0.150 0.000 0.880 334 E CA -0.788 55.778 56.400 0.276 0.000 0.765 334 E CB 1.957 31.909 29.700 0.420 0.000 1.174 334 E HN 0.409 nan 8.360 nan 0.000 0.417 335 V N 5.662 125.652 119.914 0.126 0.000 2.347 335 V HA 0.542 4.662 4.120 -0.000 0.000 0.280 335 V C 0.067 176.208 176.094 0.079 0.000 1.021 335 V CA -0.506 61.836 62.300 0.070 0.000 0.847 335 V CB 1.028 32.874 31.823 0.038 0.000 0.990 335 V HN 0.655 nan 8.190 nan 0.000 0.444 336 R N 4.779 125.321 120.500 0.070 0.000 2.680 336 R HA 0.651 4.991 4.340 -0.000 0.000 0.269 336 R C -1.981 174.350 176.300 0.052 0.000 1.026 336 R CA -0.833 55.310 56.100 0.072 0.000 0.889 336 R CB 1.963 32.321 30.300 0.097 0.000 1.241 336 R HN 0.606 nan 8.270 nan 0.000 0.463 337 I N 2.594 123.194 120.570 0.050 0.000 2.328 337 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 337 I C -0.597 175.543 176.117 0.040 0.000 1.012 337 I CA -0.401 60.922 61.300 0.037 0.000 1.195 337 I CB 1.637 39.660 38.000 0.038 0.000 1.350 337 I HN 0.639 nan 8.210 nan 0.000 0.464 338 E N 6.644 126.864 120.200 0.034 0.000 2.224 338 E HA 0.237 4.587 4.350 -0.000 0.000 0.265 338 E C -0.179 176.436 176.600 0.025 0.000 0.878 338 E CA -0.513 55.908 56.400 0.035 0.000 0.759 338 E CB 0.972 30.699 29.700 0.045 0.000 1.164 338 E HN 0.538 nan 8.360 nan 0.000 0.414 339 N N 3.311 122.026 118.700 0.023 0.000 2.754 339 N HA -0.217 4.523 4.740 -0.000 0.000 0.248 339 N C 0.431 175.948 175.510 0.012 0.000 1.093 339 N CA 1.807 54.867 53.050 0.017 0.000 0.699 339 N CB -1.265 37.231 38.487 0.016 0.000 1.016 339 N HN 0.984 nan 8.380 nan 0.000 0.552 340 G N -2.125 106.682 108.800 0.011 0.000 2.176 340 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.253 340 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.253 340 G C -0.039 174.857 174.900 -0.006 0.000 0.979 340 G CA 0.559 45.661 45.100 0.003 0.000 0.641 340 G HN 0.458 nan 8.290 nan 0.000 0.530 341 L N 0.096 121.317 121.223 -0.003 0.000 2.346 341 L HA 0.728 5.067 4.340 -0.000 0.000 0.274 341 L C 0.229 177.091 176.870 -0.013 0.000 1.007 341 L CA -1.313 53.519 54.840 -0.015 0.000 0.818 341 L CB 1.896 43.947 42.059 -0.013 0.000 1.284 341 L HN 0.114 nan 8.230 nan 0.000 0.424 342 L N 4.025 125.230 121.223 -0.030 0.000 2.295 342 L HA 0.410 4.750 4.340 -0.000 0.000 0.288 342 L C -0.689 176.166 176.870 -0.026 0.000 1.079 342 L CA 0.321 55.145 54.840 -0.027 0.000 0.830 342 L CB 0.103 42.135 42.059 -0.045 0.000 1.200 342 L HN 0.396 nan 8.230 nan 0.000 0.438 343 L N 5.267 126.490 121.223 0.000 0.000 2.399 343 L HA 0.549 4.889 4.340 -0.000 0.000 0.265 343 L C -0.480 176.400 176.870 0.016 0.000 1.089 343 L CA -0.643 54.205 54.840 0.013 0.000 0.802 343 L CB 1.491 43.575 42.059 0.042 0.000 1.180 343 L HN 0.603 nan 8.230 nan 0.000 0.454 344 L N 2.256 123.503 121.223 0.040 0.000 2.482 344 L HA 0.431 4.771 4.340 -0.000 0.000 0.269 344 L C -0.569 176.344 176.870 0.071 0.000 0.967 344 L CA -0.320 54.552 54.840 0.054 0.000 0.851 344 L CB 1.126 43.200 42.059 0.025 0.000 1.242 344 L HN 0.635 nan 8.230 nan 0.000 0.404 345 N N 3.941 122.580 118.700 -0.103 0.000 2.708 345 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 345 N C 0.820 176.059 175.510 -0.450 0.000 1.097 345 N CA 1.534 54.279 53.050 -0.509 0.000 0.710 345 N CB -1.149 36.894 38.487 -0.741 0.000 1.032 345 N HN 1.190 nan 8.380 nan 0.000 0.551 346 G N -2.323 106.435 108.800 -0.070 0.000 2.254 346 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.225 346 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.225 346 G C -0.143 174.787 174.900 0.050 0.000 1.003 346 G CA 0.417 45.547 45.100 0.049 0.000 0.622 346 G HN 0.350 nan 8.290 nan 0.000 0.507 347 K N 1.413 121.841 120.400 0.048 0.000 2.164 347 K HA 0.544 4.864 4.320 -0.000 0.000 0.258 347 K C -2.859 173.730 176.600 -0.017 0.000 0.951 347 K CA -2.168 54.111 56.287 -0.013 0.000 0.844 347 K CB 2.344 34.769 32.500 -0.126 0.000 1.099 347 K HN 0.098 nan 8.250 nan 0.000 0.435 348 P HA 0.159 nan 4.420 nan 0.000 0.276 348 P C -0.120 177.140 177.300 -0.067 0.000 1.253 348 P CA -0.106 62.966 63.100 -0.047 0.000 0.766 348 P CB 0.403 32.076 31.700 -0.046 0.000 0.845 349 L N 3.503 124.685 121.223 -0.070 0.000 2.453 349 L HA 0.295 4.635 4.340 -0.000 0.000 0.261 349 L C 0.615 177.439 176.870 -0.075 0.000 1.179 349 L CA -0.660 54.135 54.840 -0.074 0.000 0.813 349 L CB 0.369 42.353 42.059 -0.125 0.000 1.110 349 L HN 0.254 nan 8.230 nan 0.000 0.466 350 L N 3.488 124.691 121.223 -0.032 0.000 2.372 350 L HA 0.427 4.767 4.340 -0.000 0.000 0.273 350 L C -0.443 176.425 176.870 -0.005 0.000 0.989 350 L CA -0.241 54.572 54.840 -0.046 0.000 0.841 350 L CB 1.063 43.137 42.059 0.025 0.000 1.225 350 L HN 0.238 nan 8.230 nan 0.000 0.414 351 I N 5.024 125.516 120.570 -0.130 0.000 2.379 351 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 351 I C 0.404 176.492 176.117 -0.049 0.000 1.063 351 I CA 0.007 61.231 61.300 -0.127 0.000 1.351 351 I CB 0.434 38.253 38.000 -0.302 0.000 1.410 351 I HN 0.571 nan 8.210 nan 0.000 0.505 352 R N 4.599 125.158 120.500 0.098 0.000 2.666 352 R HA 0.517 4.856 4.340 -0.000 0.000 0.275 352 R C 0.323 176.730 176.300 0.178 0.000 1.266 352 R CA -0.231 55.992 56.100 0.204 0.000 1.401 352 R CB 1.261 31.574 30.300 0.022 0.000 1.145 352 R HN 0.839 nan 8.270 nan 0.000 0.581 353 G N -0.046 108.796 108.800 0.070 0.000 2.816 353 G HA2 0.638 4.598 3.960 -0.000 0.000 0.288 353 G HA3 0.638 4.598 3.960 -0.000 0.000 0.288 353 G C -1.557 173.609 174.900 0.443 0.000 1.334 353 G CA -0.487 44.690 45.100 0.129 0.000 0.978 353 G HN 0.236 nan 8.290 nan 0.000 0.493 354 V N -0.347 119.806 119.914 0.399 0.000 2.971 354 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 354 V C -1.023 175.226 176.094 0.258 0.000 1.130 354 V CA -1.180 61.282 62.300 0.269 0.000 0.964 354 V CB 2.140 33.825 31.823 -0.229 0.000 1.029 354 V HN 0.781 nan 8.190 nan 0.000 0.427 355 N N 4.242 123.038 118.700 0.160 0.000 2.530 355 N HA 0.514 5.253 4.740 -0.000 0.000 0.277 355 N C -0.753 174.612 175.510 -0.242 0.000 1.168 355 N CA -0.428 52.600 53.050 -0.038 0.000 0.979 355 N CB 1.470 39.979 38.487 0.036 0.000 1.141 355 N HN 0.664 nan 8.380 nan 0.000 0.459 356 R N 1.590 121.892 120.500 -0.330 0.000 2.508 356 R HA 0.230 4.570 4.340 -0.000 0.000 0.283 356 R C -1.445 174.640 176.300 -0.359 0.000 1.120 356 R CA -0.514 55.404 56.100 -0.304 0.000 0.958 356 R CB 0.700 30.810 30.300 -0.317 0.000 1.215 356 R HN 0.628 nan 8.270 nan 0.000 0.427 357 H N 1.244 120.191 119.070 -0.204 0.000 2.509 357 H HA 0.207 4.763 4.556 -0.000 0.000 0.359 357 H C -0.369 174.965 175.328 0.010 0.000 1.253 357 H CA -0.120 55.893 56.048 -0.057 0.000 1.373 357 H CB 1.229 31.035 29.762 0.072 0.000 1.555 357 H HN 0.486 nan 8.280 nan 0.000 0.586 358 E N 1.216 121.619 120.200 0.338 0.000 1.963 358 E HA 0.141 4.491 4.350 -0.000 0.000 0.274 358 E C -0.946 175.826 176.600 0.287 0.000 1.061 358 E CA -0.152 56.380 56.400 0.219 0.000 0.847 358 E CB 0.370 30.190 29.700 0.200 0.000 1.083 358 E HN 0.371 nan 8.360 nan 0.000 0.402 359 H N 1.719 120.865 119.070 0.127 0.000 2.679 359 H HA 0.313 4.869 4.556 -0.000 0.000 0.360 359 H C -1.619 173.781 175.328 0.120 0.000 1.105 359 H CA -0.704 55.409 56.048 0.109 0.000 1.196 359 H CB 1.044 30.850 29.762 0.074 0.000 1.636 359 H HN 0.434 nan 8.280 nan 0.000 0.531 360 H N 6.481 125.194 119.070 -0.595 0.000 3.017 360 H HA 0.188 4.744 4.556 -0.000 0.000 0.340 360 H C -2.345 172.628 175.328 -0.592 0.000 1.014 360 H CA -2.176 53.617 56.048 -0.425 0.000 1.341 360 H CB 2.420 32.094 29.762 -0.148 0.000 1.739 360 H HN 0.490 nan 8.280 nan 0.000 0.506 361 P HA -0.156 nan 4.420 nan 0.000 0.217 361 P C 1.263 178.406 177.300 -0.261 0.000 1.151 361 P CA 1.213 64.055 63.100 -0.429 0.000 0.849 361 P CB 0.674 32.151 31.700 -0.370 0.000 0.787 362 L N -2.341 118.793 121.223 -0.149 0.000 2.286 362 L HA 0.108 4.448 4.340 -0.000 0.000 0.203 362 L C 2.596 179.432 176.870 -0.058 0.000 1.068 362 L CA 0.650 55.407 54.840 -0.140 0.000 0.811 362 L CB -1.099 40.813 42.059 -0.246 0.000 0.989 362 L HN -0.017 nan 8.230 nan 0.000 0.467 363 H N -0.029 119.139 119.070 0.163 0.000 2.547 363 H HA 0.132 4.688 4.556 -0.000 0.000 0.272 363 H C 1.591 176.855 175.328 -0.106 0.000 0.989 363 H CA 0.171 56.153 56.048 -0.111 0.000 1.214 363 H CB 0.248 29.765 29.762 -0.410 0.000 1.389 363 H HN 0.452 nan 8.280 nan 0.000 0.577 364 G N 1.050 109.842 108.800 -0.014 0.000 2.652 364 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.278 364 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.278 364 G C 0.664 175.540 174.900 -0.040 0.000 1.263 364 G CA 0.374 45.407 45.100 -0.111 0.000 0.966 364 G HN 0.417 nan 8.290 nan 0.000 0.544 365 Q N -0.133 119.655 119.800 -0.020 0.000 2.282 365 Q HA 0.468 4.808 4.340 -0.000 0.000 0.206 365 Q C 0.567 176.665 176.000 0.164 0.000 0.878 365 Q CA 0.026 55.855 55.803 0.042 0.000 0.944 365 Q CB 1.027 29.680 28.738 -0.141 0.000 1.100 365 Q HN 0.431 nan 8.270 nan 0.000 0.509 366 V N 2.248 122.232 119.914 0.116 0.000 2.508 366 V HA 0.083 4.203 4.120 -0.000 0.000 0.281 366 V C 0.300 176.419 176.094 0.042 0.000 1.041 366 V CA 0.173 62.532 62.300 0.098 0.000 1.016 366 V CB 0.660 32.488 31.823 0.008 0.000 0.984 366 V HN 0.301 nan 8.190 nan 0.000 0.478 367 M N 4.486 124.092 119.600 0.011 0.000 2.471 367 M HA 0.555 5.035 4.480 -0.000 0.000 0.309 367 M C -0.384 175.818 176.300 -0.164 0.000 1.186 367 M CA -0.727 54.527 55.300 -0.076 0.000 1.008 367 M CB 1.377 33.888 32.600 -0.149 0.000 1.551 367 M HN 0.985 nan 8.290 nan 0.000 0.477 368 D N -2.216 118.108 120.400 -0.127 0.000 2.717 368 D HA 0.242 4.882 4.640 -0.000 0.000 0.223 368 D C 0.046 176.335 176.300 -0.018 0.000 1.240 368 D CA -0.613 53.333 54.000 -0.090 0.000 0.801 368 D CB 1.217 41.991 40.800 -0.043 0.000 1.556 368 D HN 0.569 nan 8.370 nan 0.000 0.462 369 E N 0.268 120.476 120.200 0.014 0.000 2.045 369 E HA -0.370 3.980 4.350 -0.000 0.000 0.212 369 E C 1.521 178.176 176.600 0.092 0.000 1.039 369 E CA 1.997 58.441 56.400 0.073 0.000 0.860 369 E CB -0.048 29.705 29.700 0.090 0.000 0.776 369 E HN 0.592 nan 8.360 nan 0.000 0.467 370 Q N -0.562 119.289 119.800 0.085 0.000 2.142 370 Q HA -0.240 4.100 4.340 -0.000 0.000 0.213 370 Q C 2.275 178.341 176.000 0.111 0.000 1.004 370 Q CA 2.553 58.412 55.803 0.095 0.000 0.883 370 Q CB -0.302 28.490 28.738 0.091 0.000 0.939 370 Q HN 0.356 nan 8.270 nan 0.000 0.413 371 T N 0.508 115.136 114.554 0.123 0.000 2.737 371 T HA -0.160 4.190 4.350 -0.000 0.000 0.265 371 T C 1.775 176.570 174.700 0.158 0.000 1.038 371 T CA 1.350 63.543 62.100 0.155 0.000 1.144 371 T CB -0.217 68.765 68.868 0.190 0.000 0.866 371 T HN 0.223 nan 8.240 nan 0.000 0.434 372 M N 0.683 120.381 119.600 0.162 0.000 2.082 372 M HA -0.137 4.343 4.480 -0.000 0.000 0.258 372 M C 2.315 178.742 176.300 0.211 0.000 1.069 372 M CA 1.495 56.956 55.300 0.268 0.000 1.102 372 M CB -0.426 32.342 32.600 0.280 0.000 1.336 372 M HN 0.094 nan 8.290 nan 0.000 0.404 373 V N -0.533 119.449 119.914 0.113 0.000 2.307 373 V HA -0.276 3.843 4.120 -0.000 0.000 0.245 373 V C 2.221 178.304 176.094 -0.018 0.000 1.045 373 V CA 1.755 64.055 62.300 0.001 0.000 1.024 373 V CB -0.900 30.945 31.823 0.037 0.000 0.651 373 V HN 0.523 nan 8.190 nan 0.000 0.449 374 Q N -0.099 119.740 119.800 0.065 0.000 2.014 374 Q HA -0.294 4.046 4.340 -0.000 0.000 0.207 374 Q C 2.157 178.235 176.000 0.129 0.000 0.993 374 Q CA 2.295 58.155 55.803 0.096 0.000 0.850 374 Q CB -0.274 28.542 28.738 0.130 0.000 0.916 374 Q HN 0.624 nan 8.270 nan 0.000 0.417 375 D N 0.173 120.676 120.400 0.172 0.000 2.133 375 D HA -0.180 4.459 4.640 -0.000 0.000 0.195 375 D C 1.876 178.130 176.300 -0.077 0.000 0.997 375 D CA 1.108 55.206 54.000 0.163 0.000 0.840 375 D CB -0.297 40.570 40.800 0.111 0.000 0.947 375 D HN 0.342 nan 8.370 nan 0.000 0.452 376 I N 0.383 120.908 120.570 -0.074 0.000 2.142 376 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 376 I C 2.457 178.442 176.117 -0.221 0.000 1.078 376 I CA 0.705 61.868 61.300 -0.229 0.000 1.343 376 I CB -0.274 37.490 38.000 -0.394 0.000 1.046 376 I HN -0.017 nan 8.210 nan 0.000 0.405 377 L N 0.305 121.430 121.223 -0.163 0.000 2.042 377 L HA -0.237 4.102 4.340 -0.000 0.000 0.210 377 L C 2.582 179.503 176.870 0.085 0.000 1.076 377 L CA 1.335 56.159 54.840 -0.027 0.000 0.749 377 L CB -0.599 41.467 42.059 0.013 0.000 0.893 377 L HN 0.276 nan 8.230 nan 0.000 0.432 378 L N -0.762 120.535 121.223 0.123 0.000 1.976 378 L HA -0.258 4.082 4.340 -0.000 0.000 0.209 378 L C 2.738 179.755 176.870 0.244 0.000 1.071 378 L CA 1.617 56.616 54.840 0.266 0.000 0.746 378 L CB -0.450 41.906 42.059 0.494 0.000 0.890 378 L HN 0.276 nan 8.230 nan 0.000 0.432 379 M N -0.688 118.881 119.600 -0.051 0.000 2.144 379 M HA -0.248 4.232 4.480 -0.000 0.000 0.260 379 M C 2.187 178.568 176.300 0.134 0.000 1.067 379 M CA 1.767 57.019 55.300 -0.081 0.000 1.095 379 M CB -0.552 31.723 32.600 -0.541 0.000 1.365 379 M HN 0.138 nan 8.290 nan 0.000 0.406 380 K N 0.380 120.758 120.400 -0.037 0.000 2.031 380 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 380 K C 2.071 178.646 176.600 -0.040 0.000 1.049 380 K CA 1.282 57.446 56.287 -0.206 0.000 0.939 380 K CB -0.194 31.973 32.500 -0.555 0.000 0.717 380 K HN 0.467 nan 8.250 nan 0.000 0.438 381 Q N 0.527 120.444 119.800 0.195 0.000 2.181 381 Q HA -0.088 4.251 4.340 -0.000 0.000 0.205 381 Q C 1.154 177.407 176.000 0.421 0.000 0.980 381 Q CA 0.885 56.910 55.803 0.371 0.000 0.862 381 Q CB -0.040 28.913 28.738 0.359 0.000 0.905 381 Q HN 0.283 nan 8.270 nan 0.000 0.429 382 N N 0.714 119.617 118.700 0.339 0.000 2.314 382 N HA 0.009 4.749 4.740 -0.000 0.000 0.200 382 N C -0.547 174.989 175.510 0.043 0.000 1.135 382 N CA 0.107 53.329 53.050 0.286 0.000 0.835 382 N CB 0.454 39.185 38.487 0.406 0.000 0.989 382 N HN 0.191 nan 8.380 nan 0.000 0.478 383 N N 0.065 118.793 118.700 0.047 0.000 2.815 383 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 383 N C -1.043 174.293 175.510 -0.290 0.000 1.110 383 N CA 0.661 53.628 53.050 -0.139 0.000 0.699 383 N CB -1.845 36.395 38.487 -0.411 0.000 1.040 383 N HN 0.202 nan 8.380 nan 0.000 0.555 384 F N 0.577 120.498 119.950 -0.048 0.000 2.385 384 F HA 0.309 4.836 4.527 -0.000 0.000 0.336 384 F C 1.873 177.649 175.800 -0.041 0.000 1.100 384 F CA -0.381 57.597 58.000 -0.037 0.000 1.116 384 F CB 0.916 39.883 39.000 -0.055 0.000 1.166 384 F HN -0.051 nan 8.300 nan 0.000 0.511 385 N N 0.518 119.326 118.700 0.179 0.000 2.510 385 N HA 0.377 5.116 4.740 -0.000 0.000 0.186 385 N C -0.386 175.152 175.510 0.047 0.000 1.051 385 N CA 0.063 53.167 53.050 0.089 0.000 0.877 385 N CB 0.463 39.081 38.487 0.219 0.000 1.183 385 N HN 0.606 nan 8.380 nan 0.000 0.443 386 A N 0.234 123.164 122.820 0.182 0.000 2.530 386 A HA 0.718 5.037 4.320 -0.000 0.000 0.288 386 A C -1.639 176.150 177.584 0.341 0.000 1.172 386 A CA -0.447 51.764 52.037 0.289 0.000 0.733 386 A CB 1.887 21.098 19.000 0.352 0.000 1.320 386 A HN -0.058 nan 8.150 nan 0.000 0.419 387 V N -0.050 120.145 119.914 0.468 0.000 3.012 387 V HA 0.779 4.898 4.120 -0.000 0.000 0.307 387 V C -0.977 175.295 176.094 0.297 0.000 1.166 387 V CA -0.678 61.848 62.300 0.376 0.000 0.974 387 V CB 1.989 33.959 31.823 0.245 0.000 1.040 387 V HN 1.157 nan 8.190 nan 0.000 0.428 388 R N 4.748 125.276 120.500 0.047 0.000 2.445 388 R HA 0.548 4.888 4.340 -0.000 0.000 0.308 388 R C -0.844 175.319 176.300 -0.228 0.000 0.961 388 R CA -0.449 55.500 56.100 -0.252 0.000 0.862 388 R CB 1.230 31.167 30.300 -0.606 0.000 1.144 388 R HN 0.834 nan 8.270 nan 0.000 0.447 389 C N 4.269 123.447 119.300 -0.203 0.000 2.756 389 C HA 0.170 4.630 4.460 -0.000 0.000 0.504 389 C C 0.490 175.185 174.990 -0.493 0.000 1.028 389 C CA -0.772 58.050 59.018 -0.327 0.000 1.167 389 C CB -2.060 25.555 27.740 -0.207 0.000 1.444 389 C HN 0.732 nan 8.230 nan 0.000 0.577 390 S N 1.287 116.589 115.700 -0.664 0.000 2.481 390 S HA 0.151 4.621 4.470 -0.000 0.000 0.282 390 S C -0.037 173.748 174.600 -1.358 0.000 1.243 390 S CA 0.155 57.715 58.200 -1.067 0.000 1.078 390 S CB 0.115 62.590 63.200 -1.207 0.000 0.916 390 S HN 0.749 nan 8.310 nan 0.000 0.495 391 H N 3.194 121.731 119.070 -0.889 0.000 2.825 391 H HA 0.292 4.847 4.556 -0.000 0.000 0.226 391 H C -1.152 174.128 175.328 -0.080 0.000 1.414 391 H CA -0.370 55.517 56.048 -0.269 0.000 1.198 391 H CB -0.081 29.705 29.762 0.040 0.000 2.013 391 H HN 0.895 nan 8.280 nan 0.000 0.530 392 Y N -2.908 117.493 120.300 0.168 0.000 2.702 392 Y HA 0.497 5.047 4.550 -0.000 0.000 0.336 392 Y C -3.318 172.685 175.900 0.172 0.000 1.203 392 Y CA -3.206 55.001 58.100 0.178 0.000 1.072 392 Y CB 0.150 38.726 38.460 0.193 0.000 1.327 392 Y HN -0.143 nan 8.280 nan 0.000 0.456 393 P HA 0.168 nan 4.420 nan 0.000 0.269 393 P C -0.719 176.861 177.300 0.466 0.000 1.209 393 P CA 0.185 63.521 63.100 0.393 0.000 0.776 393 P CB 0.641 32.523 31.700 0.304 0.000 0.876 394 N N 0.062 119.058 118.700 0.493 0.000 2.538 394 N HA 0.113 4.853 4.740 -0.000 0.000 0.292 394 N C -0.005 175.757 175.510 0.419 0.000 1.262 394 N CA -0.653 52.603 53.050 0.343 0.000 0.976 394 N CB 0.320 38.769 38.487 -0.062 0.000 1.161 394 N HN 0.579 nan 8.380 nan 0.000 0.598 395 H N 2.483 121.680 119.070 0.210 0.000 2.975 395 H HA 0.026 4.581 4.556 -0.000 0.000 0.303 395 H C -1.597 173.920 175.328 0.316 0.000 1.023 395 H CA -1.111 55.056 56.048 0.199 0.000 1.473 395 H CB 0.858 30.698 29.762 0.130 0.000 1.498 395 H HN 0.427 nan 8.280 nan 0.000 0.549 396 P HA -0.320 nan 4.420 nan 0.000 0.229 396 P C 1.749 179.302 177.300 0.422 0.000 1.147 396 P CA 1.616 64.860 63.100 0.241 0.000 0.949 396 P CB 0.089 31.760 31.700 -0.048 0.000 0.786 397 L N -2.103 119.398 121.223 0.463 0.000 2.291 397 L HA -0.012 4.328 4.340 -0.000 0.000 0.214 397 L C 2.550 179.618 176.870 0.331 0.000 1.120 397 L CA 1.161 56.246 54.840 0.409 0.000 0.799 397 L CB -1.032 41.259 42.059 0.387 0.000 0.925 397 L HN 0.006 nan 8.230 nan 0.000 0.446 398 W N 0.309 121.693 121.300 0.139 0.000 2.318 398 W HA -0.342 4.318 4.660 -0.000 0.000 0.313 398 W C 1.985 178.389 176.519 -0.192 0.000 1.221 398 W CA 2.292 59.574 57.345 -0.104 0.000 1.266 398 W CB -0.556 28.729 29.460 -0.291 0.000 1.150 398 W HN 0.314 nan 8.180 nan 0.000 0.496 399 Y N 1.072 121.308 120.300 -0.107 0.000 2.165 399 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 399 Y C 2.868 178.469 175.900 -0.498 0.000 1.155 399 Y CA 2.296 60.092 58.100 -0.506 0.000 1.164 399 Y CB -1.439 36.494 38.460 -0.878 0.000 0.978 399 Y HN -0.188 nan 8.280 nan 0.000 0.513 400 T N 0.774 115.299 114.554 -0.047 0.000 2.708 400 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 400 T C 2.046 176.745 174.700 -0.001 0.000 1.037 400 T CA 1.503 63.655 62.100 0.087 0.000 1.146 400 T CB -0.635 68.349 68.868 0.193 0.000 0.865 400 T HN 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.692 121.881 121.223 -0.056 0.000 2.012 401 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 401 L C 2.906 179.712 176.870 -0.107 0.000 1.073 401 L CA 1.107 55.927 54.840 -0.034 0.000 0.748 401 L CB -0.841 41.210 42.059 -0.013 0.000 0.891 401 L HN 0.395 nan 8.230 nan 0.000 0.431 402 C N -0.421 118.639 119.300 -0.400 0.000 2.419 402 C HA -0.128 4.332 4.460 -0.000 0.000 0.281 402 C C 2.307 177.324 174.990 0.044 0.000 1.336 402 C CA 0.122 58.973 59.018 -0.278 0.000 1.770 402 C CB -0.973 26.519 27.740 -0.414 0.000 1.929 402 C HN 0.537 nan 8.230 nan 0.000 0.509 403 D N 0.861 121.286 120.400 0.042 0.000 2.117 403 D HA -0.082 4.558 4.640 -0.000 0.000 0.198 403 D C 2.381 178.879 176.300 0.330 0.000 0.982 403 D CA 1.163 55.284 54.000 0.202 0.000 0.828 403 D CB -0.327 40.531 40.800 0.096 0.000 0.967 403 D HN 0.559 nan 8.370 nan 0.000 0.464 404 R N -0.839 119.722 120.500 0.101 0.000 2.100 404 R HA 0.005 4.345 4.340 -0.000 0.000 0.220 404 R C 2.077 178.285 176.300 -0.154 0.000 1.091 404 R CA 0.537 56.618 56.100 -0.031 0.000 0.986 404 R CB -0.214 29.984 30.300 -0.170 0.000 0.888 404 R HN 0.230 nan 8.270 nan 0.000 0.444 405 Y N 0.398 120.696 120.300 -0.003 0.000 2.337 405 Y HA 0.169 4.718 4.550 -0.000 0.000 0.293 405 Y C 1.127 176.937 175.900 -0.150 0.000 1.123 405 Y CA 0.997 59.063 58.100 -0.055 0.000 1.201 405 Y CB 0.195 38.596 38.460 -0.098 0.000 1.011 405 Y HN 0.248 nan 8.280 nan 0.000 0.545 406 G N 0.963 109.758 108.800 -0.008 0.000 2.897 406 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.436 406 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.436 406 G C -1.184 173.530 174.900 -0.310 0.000 1.079 406 G CA -0.452 44.499 45.100 -0.248 0.000 1.090 406 G HN 0.178 nan 8.290 nan 0.000 0.480 407 L N 1.697 122.797 121.223 -0.206 0.000 2.526 407 L HA 0.393 4.733 4.340 -0.000 0.000 0.263 407 L C -0.564 176.271 176.870 -0.058 0.000 0.943 407 L CA -1.292 53.403 54.840 -0.242 0.000 0.859 407 L CB 1.855 43.813 42.059 -0.168 0.000 1.313 407 L HN 0.461 nan 8.230 nan 0.000 0.406 408 Y N 2.826 123.237 120.300 0.186 0.000 2.537 408 Y HA 0.263 4.813 4.550 -0.000 0.000 0.339 408 Y C 0.441 176.467 175.900 0.210 0.000 1.066 408 Y CA -0.422 57.821 58.100 0.239 0.000 1.357 408 Y CB 0.455 39.044 38.460 0.214 0.000 1.175 408 Y HN 0.103 nan 8.280 nan 0.000 0.525 409 V N 4.189 124.290 119.914 0.312 0.000 2.716 409 V HA 0.498 4.618 4.120 -0.000 0.000 0.304 409 V C -0.276 175.906 176.094 0.146 0.000 1.053 409 V CA -1.003 61.427 62.300 0.217 0.000 0.984 409 V CB 1.988 33.911 31.823 0.167 0.000 1.021 409 V HN 0.427 nan 8.190 nan 0.000 0.467 410 V N 2.188 122.157 119.914 0.092 0.000 2.357 410 V HA 0.316 4.436 4.120 -0.000 0.000 0.281 410 V C -0.644 175.475 176.094 0.040 0.000 1.015 410 V CA -0.575 61.725 62.300 0.000 0.000 0.827 410 V CB 1.384 33.132 31.823 -0.126 0.000 1.018 410 V HN 0.843 nan 8.190 nan 0.000 0.432 411 D N 3.724 124.168 120.400 0.073 0.000 2.343 411 D HA 0.260 4.900 4.640 -0.000 0.000 0.255 411 D C -0.033 176.412 176.300 0.243 0.000 1.187 411 D CA 0.352 54.480 54.000 0.214 0.000 0.875 411 D CB 1.128 42.075 40.800 0.246 0.000 1.136 411 D HN 0.606 nan 8.370 nan 0.000 0.469 412 E N 1.161 121.480 120.200 0.197 0.000 2.183 412 E HA 0.595 4.944 4.350 -0.000 0.000 0.271 412 E C -0.963 175.762 176.600 0.208 0.000 0.919 412 E CA -1.047 55.461 56.400 0.179 0.000 0.781 412 E CB 1.499 31.259 29.700 0.100 0.000 1.140 412 E HN 0.470 nan 8.360 nan 0.000 0.402 413 A N 3.533 126.476 122.820 0.205 0.000 2.388 413 A HA 0.099 4.418 4.320 -0.000 0.000 0.257 413 A C 0.391 178.099 177.584 0.207 0.000 1.095 413 A CA -0.370 51.778 52.037 0.184 0.000 0.791 413 A CB 0.242 19.320 19.000 0.129 0.000 1.029 413 A HN 0.667 nan 8.150 nan 0.000 0.489 414 N N 1.250 120.082 118.700 0.221 0.000 2.991 414 N HA 0.103 4.842 4.740 -0.000 0.000 0.324 414 N C -0.951 174.679 175.510 0.201 0.000 1.208 414 N CA 0.464 53.666 53.050 0.255 0.000 1.190 414 N CB -1.019 37.612 38.487 0.241 0.000 1.443 414 N HN 0.508 nan 8.380 nan 0.000 0.542 415 I N 0.374 121.055 120.570 0.184 0.000 2.500 415 I HA 0.285 4.455 4.170 -0.000 0.000 0.286 415 I C -0.408 175.794 176.117 0.143 0.000 1.063 415 I CA -0.615 60.776 61.300 0.152 0.000 1.062 415 I CB 1.872 39.939 38.000 0.113 0.000 1.223 415 I HN 0.105 nan 8.210 nan 0.000 0.435 416 E N 4.079 124.354 120.200 0.126 0.000 2.274 416 E HA 0.412 4.762 4.350 -0.000 0.000 0.269 416 E C -0.621 176.017 176.600 0.064 0.000 0.891 416 E CA -0.474 55.967 56.400 0.068 0.000 0.784 416 E CB 1.610 31.326 29.700 0.026 0.000 1.225 416 E HN 0.611 nan 8.360 nan 0.000 0.412 417 T N 0.732 115.313 114.554 0.046 0.000 3.448 417 T HA 0.172 4.522 4.350 -0.000 0.000 0.271 417 T C 0.847 175.559 174.700 0.020 0.000 1.002 417 T CA -0.331 61.817 62.100 0.079 0.000 0.995 417 T CB -0.260 68.661 68.868 0.088 0.000 1.153 417 T HN 0.663 nan 8.240 nan 0.000 0.510 418 H N 1.346 120.296 119.070 -0.201 0.000 2.289 418 H HA -0.106 4.450 4.556 -0.000 0.000 0.294 418 H C 2.365 177.540 175.328 -0.255 0.000 1.095 418 H CA 1.487 57.393 56.048 -0.236 0.000 1.256 418 H CB -0.245 29.348 29.762 -0.282 0.000 1.359 418 H HN 0.597 nan 8.280 nan 0.000 0.487 419 G N 0.420 109.016 108.800 -0.340 0.000 2.653 419 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.212 419 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.212 419 G C 0.505 175.476 174.900 0.119 0.000 1.138 419 G CA 0.041 44.983 45.100 -0.265 0.000 0.782 419 G HN 0.184 nan 8.290 nan 0.000 0.535 420 M N 0.312 120.027 119.600 0.192 0.000 2.241 420 M HA 0.334 4.814 4.480 -0.000 0.000 0.335 420 M C -0.536 175.798 176.300 0.057 0.000 1.122 420 M CA -0.181 55.220 55.300 0.168 0.000 1.164 420 M CB 1.601 34.271 32.600 0.117 0.000 1.459 420 M HN -0.227 nan 8.290 nan 0.000 0.461 421 V N 3.883 123.813 119.914 0.026 0.000 2.443 421 V HA 0.356 4.476 4.120 -0.000 0.000 0.293 421 V C -1.984 174.104 176.094 -0.010 0.000 1.021 421 V CA -1.300 60.999 62.300 -0.001 0.000 0.848 421 V CB 1.758 33.575 31.823 -0.010 0.000 0.998 421 V HN 0.725 nan 8.190 nan 0.000 0.424 422 P HA 0.304 nan 4.420 nan 0.000 0.286 422 P C 1.120 178.422 177.300 0.003 0.000 1.293 422 P CA -0.538 62.557 63.100 -0.008 0.000 0.770 422 P CB 0.722 32.419 31.700 -0.006 0.000 1.206 423 M N -0.374 119.233 119.600 0.011 0.000 2.213 423 M HA -0.179 4.300 4.480 -0.000 0.000 0.263 423 M C 1.828 178.147 176.300 0.031 0.000 1.062 423 M CA 1.661 56.976 55.300 0.026 0.000 1.105 423 M CB -0.569 32.040 32.600 0.014 0.000 1.385 423 M HN 0.368 nan 8.290 nan 0.000 0.417 424 N N -0.125 118.592 118.700 0.028 0.000 2.036 424 N HA -0.264 4.476 4.740 -0.000 0.000 0.195 424 N C 1.528 177.017 175.510 -0.036 0.000 1.037 424 N CA 1.478 54.540 53.050 0.020 0.000 0.855 424 N CB -0.045 38.445 38.487 0.004 0.000 1.033 424 N HN 0.228 nan 8.380 nan 0.000 0.423 425 R N 0.248 120.715 120.500 -0.055 0.000 2.398 425 R HA -0.282 4.058 4.340 -0.000 0.000 0.233 425 R C 1.951 178.141 176.300 -0.184 0.000 1.022 425 R CA 2.141 58.179 56.100 -0.104 0.000 0.855 425 R CB -0.573 29.665 30.300 -0.102 0.000 0.962 425 R HN 0.296 nan 8.270 nan 0.000 0.416 426 L N -1.552 119.506 121.223 -0.276 0.000 2.102 426 L HA -0.048 4.292 4.340 -0.000 0.000 0.202 426 L C 2.546 179.266 176.870 -0.249 0.000 1.076 426 L CA 1.566 56.110 54.840 -0.493 0.000 0.761 426 L CB -0.627 40.978 42.059 -0.756 0.000 0.921 426 L HN 0.503 nan 8.230 nan 0.000 0.444 427 T N -4.314 110.135 114.554 -0.175 0.000 3.098 427 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 427 T C 1.058 175.671 174.700 -0.144 0.000 1.145 427 T CA 1.198 63.184 62.100 -0.190 0.000 1.092 427 T CB -0.235 68.473 68.868 -0.266 0.000 0.908 427 T HN 0.120 nan 8.240 nan 0.000 0.526 428 D N 0.692 121.038 120.400 -0.091 0.000 2.395 428 D HA 0.156 4.796 4.640 -0.000 0.000 0.213 428 D C -0.501 175.776 176.300 -0.038 0.000 1.110 428 D CA -0.265 53.692 54.000 -0.072 0.000 0.835 428 D CB 0.167 40.929 40.800 -0.063 0.000 0.965 428 D HN 0.326 nan 8.370 nan 0.000 0.505 429 D N -0.413 119.980 120.400 -0.011 0.000 2.414 429 D HA 0.192 4.831 4.640 -0.000 0.000 0.232 429 D C -1.798 174.560 176.300 0.097 0.000 1.070 429 D CA -2.420 51.614 54.000 0.057 0.000 0.839 429 D CB 1.927 42.792 40.800 0.108 0.000 1.079 429 D HN -0.120 nan 8.370 nan 0.000 0.521 430 P HA -0.163 nan 4.420 nan 0.000 0.217 430 P C 0.872 178.172 177.300 0.000 0.000 1.148 430 P CA 1.137 64.244 63.100 0.010 0.000 0.834 430 P CB 0.207 31.902 31.700 -0.008 0.000 0.783 431 R N -2.346 118.158 120.500 0.006 0.000 2.241 431 R HA -0.104 4.236 4.340 -0.000 0.000 0.224 431 R C 1.560 177.713 176.300 -0.244 0.000 1.101 431 R CA 1.111 57.141 56.100 -0.116 0.000 0.995 431 R CB -0.699 29.519 30.300 -0.136 0.000 0.870 431 R HN 0.353 nan 8.270 nan 0.000 0.463 432 W N -0.812 120.429 121.300 -0.099 0.000 3.211 432 W HA 0.176 4.835 4.660 -0.000 0.000 0.292 432 W C 1.404 177.860 176.519 -0.105 0.000 1.268 432 W CA -0.528 56.756 57.345 -0.102 0.000 1.702 432 W CB 0.005 29.401 29.460 -0.107 0.000 1.092 432 W HN -0.002 nan 8.180 nan 0.000 0.643 433 L N 2.258 123.505 121.223 0.038 0.000 2.042 433 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 433 L C -0.583 176.250 176.870 -0.062 0.000 1.076 433 L CA 2.270 57.094 54.840 -0.027 0.000 0.749 433 L CB -1.804 40.230 42.059 -0.041 0.000 0.893 433 L HN -0.208 nan 8.230 nan 0.000 0.432 434 P HA -0.138 nan 4.420 nan 0.000 0.215 434 P C 1.598 178.843 177.300 -0.092 0.000 1.157 434 P CA 2.170 65.209 63.100 -0.103 0.000 0.868 434 P CB -0.233 31.396 31.700 -0.118 0.000 0.788 435 A N -0.630 122.145 122.820 -0.075 0.000 1.877 435 A HA -0.182 4.137 4.320 -0.000 0.000 0.216 435 A C 2.267 179.863 177.584 0.021 0.000 1.186 435 A CA 2.133 54.159 52.037 -0.018 0.000 0.620 435 A CB -1.493 17.520 19.000 0.022 0.000 0.822 435 A HN 0.092 nan 8.150 nan 0.000 0.443 436 M N -0.057 119.564 119.600 0.035 0.000 2.086 436 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 436 M C 2.549 178.800 176.300 -0.082 0.000 1.067 436 M CA 1.801 57.097 55.300 -0.007 0.000 1.116 436 M CB -0.582 31.990 32.600 -0.046 0.000 1.348 436 M HN 0.614 nan 8.290 nan 0.000 0.407 437 S N 0.748 116.369 115.700 -0.131 0.000 2.380 437 S HA -0.224 4.246 4.470 -0.000 0.000 0.229 437 S C 1.731 176.171 174.600 -0.265 0.000 1.043 437 S CA 1.699 59.758 58.200 -0.236 0.000 1.038 437 S CB -0.518 62.527 63.200 -0.258 0.000 0.872 437 S HN 0.478 nan 8.310 nan 0.000 0.456 438 E N 1.224 121.319 120.200 -0.176 0.000 2.118 438 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 438 E C 2.390 178.911 176.600 -0.131 0.000 0.992 438 E CA 1.351 57.657 56.400 -0.155 0.000 0.804 438 E CB -0.236 29.406 29.700 -0.096 0.000 0.741 438 E HN 0.755 nan 8.360 nan 0.000 0.458 439 R N 0.279 120.729 120.500 -0.084 0.000 2.153 439 R HA 0.011 4.351 4.340 -0.000 0.000 0.218 439 R C 2.334 178.598 176.300 -0.060 0.000 1.072 439 R CA 0.646 56.726 56.100 -0.033 0.000 0.990 439 R CB -0.155 30.164 30.300 0.033 0.000 0.889 439 R HN -0.009 nan 8.270 nan 0.000 0.452 440 V N 1.301 121.130 119.914 -0.141 0.000 2.341 440 V HA -0.194 3.926 4.120 -0.000 0.000 0.240 440 V C 2.771 178.698 176.094 -0.278 0.000 1.035 440 V CA 2.193 64.392 62.300 -0.167 0.000 1.033 440 V CB -0.529 31.177 31.823 -0.196 0.000 0.678 440 V HN 0.479 nan 8.190 nan 0.000 0.464 441 T N 0.739 114.985 114.554 -0.514 0.000 2.635 441 T HA -0.313 4.036 4.350 -0.000 0.000 0.267 441 T C 1.874 176.411 174.700 -0.272 0.000 1.040 441 T CA 1.971 63.672 62.100 -0.666 0.000 1.156 441 T CB -0.597 67.688 68.868 -0.973 0.000 0.863 441 T HN 0.505 nan 8.240 nan 0.000 0.430 442 R N 0.662 121.039 120.500 -0.205 0.000 2.189 442 R HA 0.173 4.513 4.340 -0.000 0.000 0.223 442 R C 2.650 178.885 176.300 -0.107 0.000 1.092 442 R CA 1.377 57.398 56.100 -0.132 0.000 0.989 442 R CB -0.608 29.623 30.300 -0.115 0.000 0.876 442 R HN 0.543 nan 8.270 nan 0.000 0.457 443 M N 0.837 120.380 119.600 -0.095 0.000 2.098 443 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 443 M C 1.810 178.070 176.300 -0.066 0.000 1.072 443 M CA 1.599 56.878 55.300 -0.035 0.000 1.133 443 M CB 0.130 32.747 32.600 0.029 0.000 1.344 443 M HN -0.052 nan 8.290 nan 0.000 0.414 444 V N 0.891 120.669 119.914 -0.226 0.000 2.594 444 V HA -0.235 3.885 4.120 -0.000 0.000 0.253 444 V C 2.219 178.211 176.094 -0.170 0.000 1.069 444 V CA 1.706 63.756 62.300 -0.416 0.000 1.082 444 V CB -1.016 30.432 31.823 -0.625 0.000 0.680 444 V HN 0.598 nan 8.190 nan 0.000 0.469 445 Q N -0.517 119.215 119.800 -0.114 0.000 2.230 445 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 445 Q C 2.467 178.374 176.000 -0.154 0.000 0.963 445 Q CA 1.075 56.810 55.803 -0.114 0.000 0.866 445 Q CB -0.036 28.662 28.738 -0.066 0.000 0.931 445 Q HN 0.578 nan 8.270 nan 0.000 0.452 446 R N 0.452 120.860 120.500 -0.153 0.000 2.066 446 R HA -0.079 4.261 4.340 -0.000 0.000 0.224 446 R C 0.608 176.801 176.300 -0.177 0.000 1.122 446 R CA 1.372 57.349 56.100 -0.205 0.000 0.974 446 R CB 0.390 30.574 30.300 -0.194 0.000 0.871 446 R HN 0.136 nan 8.270 nan 0.000 0.435 447 D N 0.173 120.531 120.400 -0.070 0.000 2.349 447 D HA -0.023 4.617 4.640 -0.000 0.000 0.214 447 D C 1.506 177.853 176.300 0.078 0.000 1.063 447 D CA 0.197 54.177 54.000 -0.033 0.000 0.847 447 D CB 0.189 40.876 40.800 -0.188 0.000 0.933 447 D HN 0.344 nan 8.370 nan 0.000 0.513 448 R N 1.035 121.622 120.500 0.146 0.000 2.211 448 R HA -0.046 4.294 4.340 -0.000 0.000 0.240 448 R C 1.037 177.341 176.300 0.007 0.000 1.144 448 R CA 1.134 57.354 56.100 0.199 0.000 0.992 448 R CB -0.506 29.872 30.300 0.130 0.000 0.869 448 R HN -0.051 nan 8.270 nan 0.000 0.462 449 N N 0.334 118.953 118.700 -0.135 0.000 2.383 449 N HA -0.025 4.715 4.740 -0.000 0.000 0.192 449 N C -0.545 174.848 175.510 -0.195 0.000 1.141 449 N CA 0.220 53.171 53.050 -0.164 0.000 0.851 449 N CB 0.077 38.447 38.487 -0.195 0.000 0.976 449 N HN 0.315 nan 8.380 nan 0.000 0.465 450 H N 1.394 120.393 119.070 -0.120 0.000 2.723 450 H HA 0.121 4.677 4.556 -0.000 0.000 0.294 450 H C -1.178 173.995 175.328 -0.259 0.000 1.079 450 H CA -1.558 54.398 56.048 -0.152 0.000 1.411 450 H CB 1.533 31.235 29.762 -0.100 0.000 1.439 450 H HN 0.028 nan 8.280 nan 0.000 0.474 451 P HA -0.167 nan 4.420 nan 0.000 0.219 451 P C 1.382 178.219 177.300 -0.772 0.000 1.146 451 P CA 1.231 63.986 63.100 -0.574 0.000 0.808 451 P CB 0.300 31.438 31.700 -0.936 0.000 0.779 452 S N -1.245 114.105 115.700 -0.584 0.000 2.406 452 S HA -0.011 4.458 4.470 -0.000 0.000 0.228 452 S C 1.081 175.651 174.600 -0.050 0.000 1.020 452 S CA 0.154 58.174 58.200 -0.301 0.000 0.965 452 S CB -1.404 61.770 63.200 -0.042 0.000 0.798 452 S HN -0.074 nan 8.310 nan 0.000 0.488 453 V N 3.601 123.459 119.914 -0.093 0.000 2.529 453 V HA 0.180 4.300 4.120 -0.000 0.000 0.292 453 V C 0.997 176.964 176.094 -0.212 0.000 1.028 453 V CA 0.400 62.608 62.300 -0.154 0.000 1.074 453 V CB 0.382 32.022 31.823 -0.305 0.000 0.958 453 V HN 0.668 nan 8.190 nan 0.000 0.481 454 I N 2.451 122.928 120.570 -0.155 0.000 4.439 454 I HA 0.545 4.714 4.170 -0.000 0.000 0.331 454 I C 0.188 176.208 176.117 -0.163 0.000 1.345 454 I CA 0.300 61.527 61.300 -0.122 0.000 1.193 454 I CB 0.485 38.475 38.000 -0.016 0.000 1.221 454 I HN 0.336 nan 8.210 nan 0.000 0.429 455 I N 0.074 120.506 120.570 -0.231 0.000 2.827 455 I HA 0.384 4.554 4.170 -0.000 0.000 0.298 455 I C -1.666 174.289 176.117 -0.270 0.000 1.235 455 I CA -0.403 60.794 61.300 -0.173 0.000 1.021 455 I CB 2.200 40.190 38.000 -0.016 0.000 1.259 455 I HN 0.003 nan 8.210 nan 0.000 0.427 456 W N 3.296 124.647 121.300 0.085 0.000 2.551 456 W HA 0.675 5.335 4.660 -0.000 0.000 0.330 456 W C 0.248 176.827 176.519 0.100 0.000 1.063 456 W CA -0.622 56.779 57.345 0.093 0.000 1.222 456 W CB 1.813 31.330 29.460 0.096 0.000 1.349 456 W HN 0.316 nan 8.180 nan 0.000 0.536 457 S N 2.552 118.468 115.700 0.359 0.000 2.536 457 S HA 0.401 4.871 4.470 -0.000 0.000 0.287 457 S C 0.215 174.969 174.600 0.257 0.000 1.101 457 S CA -0.706 57.648 58.200 0.256 0.000 0.950 457 S CB 0.919 64.213 63.200 0.155 0.000 1.056 457 S HN 0.575 nan 8.310 nan 0.000 0.481 458 L N 3.777 125.145 121.223 0.242 0.000 2.622 458 L HA 0.321 4.661 4.340 -0.000 0.000 0.233 458 L C 1.494 178.451 176.870 0.145 0.000 1.156 458 L CA 0.608 55.538 54.840 0.150 0.000 0.866 458 L CB -1.330 40.737 42.059 0.015 0.000 0.980 458 L HN 1.021 nan 8.230 nan 0.000 0.448 459 G N 0.129 109.063 108.800 0.224 0.000 2.337 459 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.197 459 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.197 459 G C -1.413 173.628 174.900 0.236 0.000 1.238 459 G CA -0.427 44.799 45.100 0.210 0.000 1.119 459 G HN 0.228 nan 8.290 nan 0.000 0.514 460 N N 0.395 119.171 118.700 0.126 0.000 2.277 460 N HA 0.490 5.230 4.740 -0.000 0.000 0.286 460 N C -0.113 175.330 175.510 -0.111 0.000 1.140 460 N CA 0.100 53.096 53.050 -0.090 0.000 0.799 460 N CB 1.403 39.564 38.487 -0.544 0.000 1.596 460 N HN 0.887 nan 8.380 nan 0.000 0.473 461 E N 0.427 120.471 120.200 -0.259 0.000 2.149 461 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 461 E C -0.893 175.618 176.600 -0.149 0.000 1.384 461 E CA 0.637 56.828 56.400 -0.349 0.000 0.698 461 E CB -1.676 27.561 29.700 -0.772 0.000 1.086 461 E HN 0.382 nan 8.360 nan 0.000 0.338 462 S N 0.095 115.868 115.700 0.121 0.000 2.592 462 S HA 0.414 4.884 4.470 -0.000 0.000 0.243 462 S C 0.884 175.665 174.600 0.301 0.000 1.160 462 S CA -0.188 58.137 58.200 0.209 0.000 1.145 462 S CB 1.252 64.627 63.200 0.291 0.000 0.909 462 S HN 0.783 nan 8.310 nan 0.000 0.487 463 G N 2.049 110.943 108.800 0.156 0.000 2.578 463 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.313 463 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.313 463 G C -0.299 174.809 174.900 0.346 0.000 1.324 463 G CA 0.188 45.384 45.100 0.159 0.000 0.955 463 G HN 0.683 nan 8.290 nan 0.000 0.541 464 H N 0.529 119.714 119.070 0.191 0.000 2.970 464 H HA 0.544 5.100 4.556 -0.000 0.000 0.315 464 H C 0.435 175.910 175.328 0.245 0.000 0.992 464 H CA -0.148 56.048 56.048 0.246 0.000 1.363 464 H CB 0.317 30.166 29.762 0.145 0.000 1.532 464 H HN 0.903 nan 8.280 nan 0.000 0.514 465 G N 1.331 110.264 108.800 0.221 0.000 2.735 465 G HA2 0.451 4.411 3.960 -0.000 0.000 0.301 465 G HA3 0.451 4.411 3.960 -0.000 0.000 0.301 465 G C 0.528 175.315 174.900 -0.189 0.000 1.279 465 G CA -0.114 44.921 45.100 -0.109 0.000 1.019 465 G HN 0.622 nan 8.290 nan 0.000 0.497 466 A N -0.305 122.426 122.820 -0.147 0.000 2.066 466 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 466 A C 2.023 179.584 177.584 -0.037 0.000 1.157 466 A CA 1.429 53.420 52.037 -0.078 0.000 0.670 466 A CB -0.355 18.613 19.000 -0.052 0.000 0.804 466 A HN 0.487 nan 8.150 nan 0.000 0.453 467 N N -0.130 118.507 118.700 -0.104 0.000 2.309 467 N HA -0.119 4.620 4.740 -0.000 0.000 0.182 467 N C 1.320 176.762 175.510 -0.114 0.000 1.018 467 N CA 1.477 54.450 53.050 -0.128 0.000 0.876 467 N CB -0.614 37.755 38.487 -0.197 0.000 0.972 467 N HN 0.767 nan 8.380 nan 0.000 0.434 468 H N 0.488 119.549 119.070 -0.015 0.000 2.326 468 H HA -0.031 4.525 4.556 -0.000 0.000 0.301 468 H C 1.202 176.593 175.328 0.105 0.000 1.081 468 H CA 1.368 57.414 56.048 -0.003 0.000 1.334 468 H CB 0.208 29.988 29.762 0.031 0.000 1.385 468 H HN 0.196 nan 8.280 nan 0.000 0.504 469 D N 0.550 121.116 120.400 0.276 0.000 2.097 469 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 469 D C 2.341 178.780 176.300 0.232 0.000 0.989 469 D CA 1.171 55.335 54.000 0.273 0.000 0.827 469 D CB -0.658 40.282 40.800 0.233 0.000 0.966 469 D HN 0.414 nan 8.370 nan 0.000 0.456 470 A N 1.049 123.952 122.820 0.137 0.000 1.903 470 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 470 A C 2.403 180.073 177.584 0.143 0.000 1.191 470 A CA 1.502 53.606 52.037 0.112 0.000 0.638 470 A CB -0.999 18.030 19.000 0.048 0.000 0.823 470 A HN 0.235 nan 8.150 nan 0.000 0.451 471 L N -2.257 119.039 121.223 0.122 0.000 2.201 471 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 471 L C 2.500 179.495 176.870 0.208 0.000 1.105 471 L CA 1.572 56.487 54.840 0.125 0.000 0.775 471 L CB -0.704 41.366 42.059 0.018 0.000 0.913 471 L HN 0.603 nan 8.230 nan 0.000 0.440 472 Y N 0.270 120.641 120.300 0.117 0.000 2.263 472 Y HA -0.146 4.404 4.550 -0.000 0.000 0.292 472 Y C 2.704 178.670 175.900 0.111 0.000 1.130 472 Y CA 1.119 59.288 58.100 0.116 0.000 1.179 472 Y CB -0.063 38.465 38.460 0.112 0.000 0.998 472 Y HN -0.091 nan 8.280 nan 0.000 0.532 473 R N 0.050 120.547 120.500 -0.004 0.000 2.115 473 R HA -0.190 4.150 4.340 -0.000 0.000 0.230 473 R C 1.918 178.181 176.300 -0.062 0.000 1.111 473 R CA 1.604 57.650 56.100 -0.091 0.000 0.976 473 R CB -1.560 28.769 30.300 0.047 0.000 0.870 473 R HN 0.660 nan 8.270 nan 0.000 0.445 474 W N 0.801 122.026 121.300 -0.126 0.000 2.354 474 W HA -0.126 4.534 4.660 -0.000 0.000 0.315 474 W C 1.779 178.189 176.519 -0.182 0.000 1.206 474 W CA 1.693 58.961 57.345 -0.129 0.000 1.290 474 W CB -0.254 29.141 29.460 -0.108 0.000 1.152 474 W HN -0.033 nan 8.180 nan 0.000 0.489 475 I N 0.700 121.280 120.570 0.017 0.000 2.142 475 I HA -0.333 3.837 4.170 -0.000 0.000 0.240 475 I C 2.359 178.291 176.117 -0.307 0.000 1.078 475 I CA 1.340 62.514 61.300 -0.210 0.000 1.343 475 I CB -1.121 36.792 38.000 -0.144 0.000 1.046 475 I HN -0.096 nan 8.210 nan 0.000 0.405 476 K N 1.089 121.303 120.400 -0.309 0.000 2.173 476 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 476 K C 2.249 178.703 176.600 -0.244 0.000 1.046 476 K CA 1.419 57.531 56.287 -0.293 0.000 0.929 476 K CB -0.519 31.736 32.500 -0.408 0.000 0.720 476 K HN 0.313 nan 8.250 nan 0.000 0.453 477 S N 0.264 115.780 115.700 -0.306 0.000 2.341 477 S HA -0.040 4.429 4.470 -0.000 0.000 0.216 477 S C 2.042 176.420 174.600 -0.371 0.000 1.034 477 S CA 0.929 58.948 58.200 -0.302 0.000 0.964 477 S CB -0.103 62.915 63.200 -0.304 0.000 0.882 477 S HN 0.034 nan 8.310 nan 0.000 0.469 478 V N 1.540 121.089 119.914 -0.608 0.000 3.078 478 V HA 0.003 4.123 4.120 -0.000 0.000 0.265 478 V C 0.549 176.410 176.094 -0.389 0.000 1.122 478 V CA 1.233 63.170 62.300 -0.605 0.000 1.141 478 V CB -0.583 30.574 31.823 -1.110 0.000 0.735 478 V HN 0.396 nan 8.190 nan 0.000 0.498 479 D N -0.636 119.589 120.400 -0.291 0.000 2.978 479 D HA 0.181 4.821 4.640 -0.000 0.000 0.268 479 D C -1.917 174.362 176.300 -0.034 0.000 1.252 479 D CA -1.308 52.619 54.000 -0.120 0.000 0.771 479 D CB 1.077 41.861 40.800 -0.025 0.000 1.361 479 D HN 0.115 nan 8.370 nan 0.000 0.558 480 P HA -0.127 nan 4.420 nan 0.000 0.229 480 P C 1.296 178.618 177.300 0.037 0.000 1.150 480 P CA 0.680 63.769 63.100 -0.018 0.000 0.765 480 P CB 0.081 31.767 31.700 -0.025 0.000 0.783 481 S N -1.298 114.438 115.700 0.061 0.000 2.453 481 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 481 S C 1.034 175.690 174.600 0.094 0.000 1.005 481 S CA 0.068 58.316 58.200 0.080 0.000 0.949 481 S CB -0.382 62.861 63.200 0.070 0.000 0.774 481 S HN 0.132 nan 8.310 nan 0.000 0.510 482 R N 1.057 121.639 120.500 0.138 0.000 2.803 482 R HA 0.616 4.956 4.340 -0.000 0.000 0.276 482 R C -3.051 173.343 176.300 0.157 0.000 0.978 482 R CA -2.485 53.674 56.100 0.098 0.000 0.939 482 R CB 1.077 31.378 30.300 0.002 0.000 1.179 482 R HN 0.165 nan 8.270 nan 0.000 0.472 483 P HA 0.174 nan 4.420 nan 0.000 0.274 483 P C -0.867 176.569 177.300 0.227 0.000 1.256 483 P CA -0.454 62.735 63.100 0.149 0.000 0.795 483 P CB 0.665 32.425 31.700 0.099 0.000 1.038 484 V N 1.063 121.144 119.914 0.279 0.000 2.656 484 V HA 0.443 4.563 4.120 -0.000 0.000 0.307 484 V C -0.058 176.198 176.094 0.270 0.000 1.051 484 V CA -0.445 62.065 62.300 0.350 0.000 0.893 484 V CB 1.482 33.589 31.823 0.473 0.000 0.999 484 V HN 0.637 nan 8.190 nan 0.000 0.426 485 Q N 3.729 123.660 119.800 0.218 0.000 2.397 485 Q HA 0.773 5.113 4.340 -0.000 0.000 0.275 485 Q C -2.028 174.079 176.000 0.178 0.000 1.090 485 Q CA -0.832 55.047 55.803 0.127 0.000 0.809 485 Q CB 2.959 31.724 28.738 0.044 0.000 1.362 485 Q HN 0.642 nan 8.270 nan 0.000 0.431 486 Y N 0.502 120.757 120.300 -0.074 0.000 2.544 486 Y HA 0.254 4.804 4.550 -0.000 0.000 0.342 486 Y C -0.439 175.353 175.900 -0.181 0.000 1.062 486 Y CA -0.960 57.061 58.100 -0.131 0.000 1.023 486 Y CB 2.412 40.758 38.460 -0.190 0.000 1.308 486 Y HN 0.951 nan 8.280 nan 0.000 0.457 487 E N 2.631 122.246 120.200 -0.975 0.000 2.372 487 E HA 0.182 4.532 4.350 -0.000 0.000 0.201 487 E C 0.641 176.722 176.600 -0.865 0.000 0.938 487 E CA 0.550 56.521 56.400 -0.716 0.000 0.944 487 E CB 0.379 29.796 29.700 -0.472 0.000 0.937 487 E HN 0.906 nan 8.360 nan 0.000 0.495 488 G N 0.106 107.942 108.800 -1.606 0.000 2.760 488 G HA2 0.145 4.104 3.960 -0.000 0.000 0.236 488 G HA3 0.145 4.104 3.960 -0.000 0.000 0.236 488 G C 0.912 175.611 174.900 -0.335 0.000 1.243 488 G CA 0.498 45.099 45.100 -0.832 0.000 0.850 488 G HN 0.402 nan 8.290 nan 0.000 0.595 489 G N -1.193 107.545 108.800 -0.102 0.000 2.186 489 G HA2 0.175 4.135 3.960 -0.000 0.000 0.266 489 G HA3 0.175 4.135 3.960 -0.000 0.000 0.266 489 G C 1.362 176.258 174.900 -0.007 0.000 0.982 489 G CA 1.330 46.441 45.100 0.018 0.000 0.670 489 G HN 2.599 nan 8.290 nan 0.000 0.533 490 G N -1.955 106.822 108.800 -0.039 0.000 2.425 490 G HA2 0.443 4.403 3.960 -0.000 0.000 0.177 490 G HA3 0.443 4.403 3.960 -0.000 0.000 0.177 490 G C 1.018 175.995 174.900 0.128 0.000 0.999 490 G CA 1.246 46.386 45.100 0.066 0.000 0.723 490 G HN 2.255 nan 8.290 nan 0.000 0.491 491 A N 0.018 122.800 122.820 -0.062 0.000 3.413 491 A HA -0.145 4.175 4.320 -0.000 0.000 0.268 491 A C 1.033 178.552 177.584 -0.109 0.000 1.128 491 A CA 2.636 54.591 52.037 -0.136 0.000 1.062 491 A CB -1.806 17.097 19.000 -0.162 0.000 1.121 491 A HN 2.011 nan 8.150 nan 0.000 0.895 492 D N -0.795 119.620 120.400 0.025 0.000 2.760 492 D HA 0.336 4.976 4.640 -0.000 0.000 0.314 492 D C 0.338 176.633 176.300 -0.009 0.000 1.464 492 D CA 0.730 54.747 54.000 0.029 0.000 0.797 492 D CB -1.106 39.841 40.800 0.245 0.000 1.149 492 D HN 0.821 nan 8.370 nan 0.000 0.455 493 T N -2.486 112.000 114.554 -0.114 0.000 2.754 493 T HA 0.228 4.578 4.350 -0.000 0.000 0.286 493 T C 1.610 176.187 174.700 -0.205 0.000 0.997 493 T CA 0.352 62.335 62.100 -0.196 0.000 0.982 493 T CB 1.130 69.695 68.868 -0.506 0.000 1.027 493 T HN 0.087 nan 8.240 nan 0.000 0.529 494 T N -2.152 112.300 114.554 -0.170 0.000 3.113 494 T HA 0.161 4.511 4.350 -0.000 0.000 0.263 494 T C 1.568 176.024 174.700 -0.407 0.000 1.143 494 T CA 0.363 62.368 62.100 -0.158 0.000 1.090 494 T CB -0.478 68.391 68.868 0.002 0.000 0.922 494 T HN 0.844 nan 8.240 nan 0.000 0.521 495 A N 0.357 122.922 122.820 -0.424 0.000 2.462 495 A HA 0.524 4.844 4.320 -0.000 0.000 0.261 495 A C 0.753 177.989 177.584 -0.579 0.000 1.323 495 A CA -0.325 51.386 52.037 -0.543 0.000 0.913 495 A CB -0.014 18.907 19.000 -0.132 0.000 1.028 495 A HN 0.413 nan 8.150 nan 0.000 0.511 496 T N -1.431 112.794 114.554 -0.548 0.000 2.993 496 T HA 0.339 4.689 4.350 -0.000 0.000 0.312 496 T C -0.630 173.974 174.700 -0.160 0.000 1.115 496 T CA -0.440 61.509 62.100 -0.253 0.000 1.027 496 T CB 1.303 70.090 68.868 -0.136 0.000 1.116 496 T HN 0.098 nan 8.240 nan 0.000 0.464 497 D N 2.557 122.969 120.400 0.020 0.000 2.348 497 D HA 0.267 4.907 4.640 -0.000 0.000 0.211 497 D C 0.306 176.612 176.300 0.010 0.000 0.998 497 D CA 0.714 54.757 54.000 0.072 0.000 0.873 497 D CB 0.459 41.361 40.800 0.170 0.000 0.925 497 D HN 0.488 nan 8.370 nan 0.000 0.524 498 I N 1.019 121.572 120.570 -0.029 0.000 2.608 498 I HA 0.205 4.375 4.170 -0.000 0.000 0.295 498 I C -0.078 175.953 176.117 -0.144 0.000 1.049 498 I CA -0.840 60.416 61.300 -0.073 0.000 1.063 498 I CB 2.902 40.869 38.000 -0.055 0.000 1.248 498 I HN -0.287 nan 8.210 nan 0.000 0.424 499 I N 5.228 125.675 120.570 -0.206 0.000 2.494 499 I HA 0.077 4.247 4.170 -0.000 0.000 0.289 499 I C -0.043 175.849 176.117 -0.375 0.000 1.106 499 I CA -0.128 60.958 61.300 -0.356 0.000 1.369 499 I CB -0.275 37.411 38.000 -0.522 0.000 1.410 499 I HN 0.633 nan 8.210 nan 0.000 0.523 500 C N 5.649 124.744 119.300 -0.343 0.000 2.955 500 C HA 0.493 4.953 4.460 -0.000 0.000 0.262 500 C C -2.147 172.665 174.990 -0.297 0.000 1.279 500 C CA -2.297 56.556 59.018 -0.275 0.000 1.615 500 C CB -0.634 27.000 27.740 -0.177 0.000 1.755 500 C HN 0.463 nan 8.230 nan 0.000 0.452 501 P HA 0.432 nan 4.420 nan 0.000 0.276 501 P C -0.512 176.687 177.300 -0.168 0.000 1.261 501 P CA -0.046 62.904 63.100 -0.250 0.000 0.800 501 P CB 0.744 32.290 31.700 -0.256 0.000 1.066 502 M N -0.270 119.243 119.600 -0.145 0.000 2.181 502 M HA 0.488 4.968 4.480 -0.000 0.000 0.323 502 M C -1.007 175.187 176.300 -0.176 0.000 1.004 502 M CA -0.707 54.390 55.300 -0.338 0.000 0.941 502 M CB 1.301 33.607 32.600 -0.490 0.000 1.579 502 M HN 0.200 nan 8.290 nan 0.000 0.427 503 Y N -0.442 120.006 120.300 0.246 0.000 4.272 503 Y HA -0.177 4.373 4.550 -0.000 0.000 0.232 503 Y C 0.276 176.333 175.900 0.262 0.000 1.149 503 Y CA 0.424 58.684 58.100 0.267 0.000 1.961 503 Y CB -2.514 36.111 38.460 0.276 0.000 1.611 503 Y HN 0.970 nan 8.280 nan 0.000 0.682 504 A N 0.726 123.742 122.820 0.327 0.000 2.328 504 A HA 0.669 4.989 4.320 -0.000 0.000 0.284 504 A C 0.762 178.544 177.584 0.331 0.000 1.160 504 A CA -0.681 51.543 52.037 0.311 0.000 0.818 504 A CB 0.472 19.681 19.000 0.347 0.000 1.087 504 A HN 0.367 nan 8.150 nan 0.000 0.504 505 R N 1.298 121.933 120.500 0.224 0.000 2.726 505 R HA 0.223 4.563 4.340 -0.000 0.000 0.272 505 R C 1.084 177.372 176.300 -0.020 0.000 1.097 505 R CA -0.362 55.814 56.100 0.126 0.000 1.198 505 R CB 0.423 30.767 30.300 0.073 0.000 1.114 505 R HN 0.515 nan 8.270 nan 0.000 0.550 506 V N 0.637 120.406 119.914 -0.242 0.000 2.379 506 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 506 V C 0.733 176.727 176.094 -0.168 0.000 1.044 506 V CA 1.882 63.982 62.300 -0.333 0.000 1.036 506 V CB -0.260 31.230 31.823 -0.555 0.000 0.664 506 V HN 0.805 nan 8.190 nan 0.000 0.453 507 D N -1.485 118.854 120.400 -0.102 0.000 2.516 507 D HA 0.131 4.771 4.640 -0.000 0.000 0.241 507 D C 0.513 176.803 176.300 -0.016 0.000 1.246 507 D CA 0.007 53.975 54.000 -0.053 0.000 0.808 507 D CB 1.206 41.978 40.800 -0.047 0.000 1.147 507 D HN 0.500 nan 8.370 nan 0.000 0.527 508 E N 2.032 122.226 120.200 -0.009 0.000 2.176 508 E HA 0.169 4.518 4.350 -0.000 0.000 0.267 508 E C -0.976 175.620 176.600 -0.007 0.000 0.893 508 E CA -0.584 55.815 56.400 -0.001 0.000 0.761 508 E CB 1.612 31.312 29.700 0.001 0.000 1.133 508 E HN -0.203 nan 8.360 nan 0.000 0.409 509 D N 3.411 123.804 120.400 -0.011 0.000 2.344 509 D HA 0.107 4.747 4.640 -0.000 0.000 0.244 509 D C -0.409 175.774 176.300 -0.195 0.000 1.134 509 D CA 0.194 54.160 54.000 -0.057 0.000 0.930 509 D CB 1.080 41.914 40.800 0.056 0.000 1.175 509 D HN 0.445 nan 8.370 nan 0.000 0.437 510 Q N 0.989 120.541 119.800 -0.413 0.000 2.771 510 Q HA 0.247 4.587 4.340 -0.000 0.000 0.247 510 Q C -2.325 173.004 176.000 -1.118 0.000 0.986 510 Q CA -1.576 53.818 55.803 -0.681 0.000 0.713 510 Q CB 2.280 30.608 28.738 -0.684 0.000 1.241 510 Q HN 0.119 nan 8.270 nan 0.000 0.488 511 P HA 0.062 nan 4.420 nan 0.000 0.225 511 P C -0.667 176.357 177.300 -0.460 0.000 1.768 511 P CA -0.265 62.444 63.100 -0.652 0.000 0.943 511 P CB -0.534 30.975 31.700 -0.319 0.000 1.936 512 F N 2.379 122.188 119.950 -0.236 0.000 2.602 512 F HA 0.126 4.653 4.527 -0.000 0.000 0.367 512 F C -1.206 174.499 175.800 -0.159 0.000 1.126 512 F CA -2.685 55.218 58.000 -0.161 0.000 1.321 512 F CB -1.184 37.733 39.000 -0.137 0.000 1.094 512 F HN 0.118 nan 8.300 nan 0.000 0.594 513 P HA 0.211 nan 4.420 nan 0.000 0.268 513 P C 0.357 177.675 177.300 0.031 0.000 1.204 513 P CA 0.977 64.097 63.100 0.033 0.000 0.768 513 P CB 1.237 32.955 31.700 0.029 0.000 0.842 514 A N 3.202 126.028 122.820 0.011 0.000 1.699 514 A HA -0.248 4.072 4.320 -0.000 0.000 0.227 514 A C 0.704 178.292 177.584 0.005 0.000 0.493 514 A CA 1.865 53.912 52.037 0.017 0.000 1.113 514 A CB -2.741 16.272 19.000 0.022 0.000 1.450 514 A HN 0.703 nan 8.150 nan 0.000 0.714 515 V N -2.664 117.259 119.914 0.014 0.000 2.361 515 V HA 0.600 4.720 4.120 -0.000 0.000 0.252 515 V C -2.619 173.451 176.094 -0.040 0.000 0.986 515 V CA -1.418 60.884 62.300 0.004 0.000 1.033 515 V CB 0.512 32.361 31.823 0.044 0.000 1.282 515 V HN 0.445 nan 8.190 nan 0.000 0.514 516 P HA 0.316 nan 4.420 nan 0.000 0.272 516 P C -0.610 176.148 177.300 -0.903 0.000 1.230 516 P CA 0.090 62.709 63.100 -0.803 0.000 0.788 516 P CB 0.704 31.511 31.700 -1.488 0.000 0.949 517 K N 1.936 121.800 120.400 -0.893 0.000 2.464 517 K HA 0.252 4.572 4.320 -0.000 0.000 0.252 517 K C -0.576 175.646 176.600 -0.630 0.000 1.000 517 K CA -0.360 55.622 56.287 -0.508 0.000 0.951 517 K CB 0.603 33.091 32.500 -0.020 0.000 1.183 517 K HN 0.442 nan 8.250 nan 0.000 0.445 518 W N 1.350 122.276 121.300 -0.624 0.000 2.093 518 W HA 0.048 4.708 4.660 -0.000 0.000 0.352 518 W C 1.324 177.815 176.519 -0.047 0.000 1.294 518 W CA -0.408 56.692 57.345 -0.408 0.000 1.290 518 W CB 0.443 29.518 29.460 -0.642 0.000 1.149 518 W HN 0.414 nan 8.180 nan 0.000 0.606 519 S N 3.109 118.944 115.700 0.225 0.000 2.546 519 S HA -0.060 4.410 4.470 -0.000 0.000 0.290 519 S C 1.335 176.073 174.600 0.230 0.000 1.290 519 S CA -0.264 58.028 58.200 0.153 0.000 1.069 519 S CB 0.001 63.243 63.200 0.071 0.000 0.846 519 S HN 0.536 nan 8.310 nan 0.000 0.495 520 I N 2.449 123.134 120.570 0.191 0.000 2.381 520 I HA -0.229 3.941 4.170 -0.000 0.000 0.255 520 I C 1.832 177.965 176.117 0.026 0.000 1.140 520 I CA 1.569 62.965 61.300 0.160 0.000 1.404 520 I CB -0.403 37.640 38.000 0.072 0.000 1.075 520 I HN 0.621 nan 8.210 nan 0.000 0.433 521 K N 1.260 121.600 120.400 -0.099 0.000 2.167 521 K HA -0.110 4.210 4.320 -0.000 0.000 0.203 521 K C 2.221 178.815 176.600 -0.010 0.000 1.052 521 K CA 1.261 57.410 56.287 -0.230 0.000 0.956 521 K CB -0.065 32.239 32.500 -0.327 0.000 0.735 521 K HN 0.398 nan 8.250 nan 0.000 0.451 522 K N 0.340 120.767 120.400 0.044 0.000 2.031 522 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 522 K C 1.863 178.490 176.600 0.046 0.000 1.049 522 K CA 0.827 57.126 56.287 0.020 0.000 0.939 522 K CB -0.077 32.413 32.500 -0.015 0.000 0.717 522 K HN 0.148 nan 8.250 nan 0.000 0.438 523 W N 2.114 123.399 121.300 -0.025 0.000 2.304 523 W HA -0.238 4.422 4.660 -0.000 0.000 0.315 523 W C 1.623 178.118 176.519 -0.040 0.000 1.233 523 W CA 1.402 58.741 57.345 -0.010 0.000 1.261 523 W CB -0.724 28.801 29.460 0.109 0.000 1.150 523 W HN 0.137 nan 8.180 nan 0.000 0.494 524 L N 0.630 121.994 121.223 0.235 0.000 2.081 524 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 524 L C 2.379 179.305 176.870 0.094 0.000 1.080 524 L CA 2.141 57.058 54.840 0.128 0.000 0.754 524 L CB -1.281 40.844 42.059 0.110 0.000 0.893 524 L HN 0.035 nan 8.230 nan 0.000 0.433 525 S N -1.255 114.485 115.700 0.067 0.000 2.577 525 S HA 0.176 4.646 4.470 -0.000 0.000 0.219 525 S C 0.718 175.300 174.600 -0.029 0.000 0.962 525 S CA -0.502 57.711 58.200 0.021 0.000 0.921 525 S CB -0.372 62.838 63.200 0.017 0.000 0.789 525 S HN 0.181 nan 8.310 nan 0.000 0.497 526 L N 2.330 123.526 121.223 -0.045 0.000 2.506 526 L HA 0.195 4.535 4.340 -0.000 0.000 0.281 526 L C -2.155 174.677 176.870 -0.063 0.000 1.228 526 L CA -1.519 53.246 54.840 -0.125 0.000 0.850 526 L CB -0.198 41.753 42.059 -0.181 0.000 1.110 526 L HN 0.093 nan 8.230 nan 0.000 0.496 527 P HA -0.011 nan 4.420 nan 0.000 0.258 527 P C 0.756 178.044 177.300 -0.021 0.000 1.187 527 P CA 0.997 64.068 63.100 -0.047 0.000 0.767 527 P CB 0.471 32.137 31.700 -0.056 0.000 0.770 528 G N 2.360 111.156 108.800 -0.006 0.000 2.258 528 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.233 528 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.233 528 G C 0.298 175.210 174.900 0.020 0.000 1.006 528 G CA -0.283 44.822 45.100 0.008 0.000 0.620 528 G HN 0.562 nan 8.290 nan 0.000 0.511 529 E N 1.743 121.960 120.200 0.029 0.000 2.415 529 E HA 0.460 4.810 4.350 -0.000 0.000 0.260 529 E C 1.529 178.150 176.600 0.034 0.000 1.016 529 E CA 0.920 57.349 56.400 0.048 0.000 0.924 529 E CB 0.671 30.423 29.700 0.087 0.000 0.961 529 E HN 0.593 nan 8.360 nan 0.000 0.459 530 T N 0.963 115.534 114.554 0.027 0.000 2.986 530 T HA 0.292 4.642 4.350 -0.000 0.000 0.264 530 T C 0.747 175.453 174.700 0.009 0.000 0.964 530 T CA -0.403 61.708 62.100 0.019 0.000 0.895 530 T CB 0.291 69.171 68.868 0.020 0.000 1.163 530 T HN 0.168 nan 8.240 nan 0.000 0.517 531 R N 2.506 123.006 120.500 0.000 0.000 2.679 531 R HA 0.417 4.757 4.340 -0.000 0.000 0.269 531 R C -2.531 173.742 176.300 -0.044 0.000 1.076 531 R CA -1.687 54.400 56.100 -0.022 0.000 1.160 531 R CB 0.094 30.371 30.300 -0.039 0.000 1.054 531 R HN 0.223 nan 8.270 nan 0.000 0.507 532 P HA 0.080 nan 4.420 nan 0.000 0.276 532 P C -1.262 175.961 177.300 -0.129 0.000 1.252 532 P CA -0.363 62.690 63.100 -0.078 0.000 0.802 532 P CB 0.641 32.297 31.700 -0.073 0.000 1.035 533 L N 2.848 123.974 121.223 -0.162 0.000 2.356 533 L HA 0.562 4.902 4.340 -0.000 0.000 0.277 533 L C -1.092 175.620 176.870 -0.263 0.000 0.996 533 L CA -0.790 53.910 54.840 -0.234 0.000 0.822 533 L CB 0.139 42.055 42.059 -0.239 0.000 1.256 533 L HN 0.288 nan 8.230 nan 0.000 0.413 534 I N 6.050 126.469 120.570 -0.252 0.000 2.531 534 I HA 0.258 4.428 4.170 -0.000 0.000 0.283 534 I C -0.559 175.449 176.117 -0.181 0.000 1.083 534 I CA -0.560 60.590 61.300 -0.248 0.000 1.071 534 I CB 1.871 39.788 38.000 -0.138 0.000 1.210 534 I HN 0.441 nan 8.210 nan 0.000 0.450 535 L N 5.299 126.380 121.223 -0.237 0.000 2.513 535 L HA -0.015 4.325 4.340 -0.000 0.000 0.272 535 L C 1.519 178.426 176.870 0.062 0.000 1.187 535 L CA -0.069 54.689 54.840 -0.137 0.000 0.895 535 L CB 0.474 42.409 42.059 -0.207 0.000 1.147 535 L HN 0.867 nan 8.230 nan 0.000 0.483 536 C N 0.190 119.503 119.300 0.021 0.000 2.495 536 C HA 0.203 4.663 4.460 -0.000 0.000 0.275 536 C C 0.588 175.675 174.990 0.162 0.000 1.392 536 C CA -0.306 58.754 59.018 0.071 0.000 1.766 536 C CB -1.053 26.639 27.740 -0.081 0.000 1.933 536 C HN 0.834 nan 8.230 nan 0.000 0.519 537 E N -0.493 119.747 120.200 0.066 0.000 2.311 537 E HA 0.566 4.916 4.350 -0.000 0.000 0.281 537 E C -1.397 175.186 176.600 -0.027 0.000 0.905 537 E CA -0.320 56.110 56.400 0.049 0.000 0.778 537 E CB 1.879 31.378 29.700 -0.335 0.000 1.240 537 E HN 0.567 nan 8.360 nan 0.000 0.410 538 Y N -0.399 119.981 120.300 0.133 0.000 2.656 538 Y HA 0.619 5.169 4.550 -0.000 0.000 0.334 538 Y C -0.689 175.419 175.900 0.347 0.000 1.179 538 Y CA -0.816 57.398 58.100 0.190 0.000 1.050 538 Y CB 0.697 39.067 38.460 -0.149 0.000 1.308 538 Y HN 0.686 nan 8.280 nan 0.000 0.456 539 A N 2.175 125.038 122.820 0.072 0.000 2.416 539 A HA -0.254 4.066 4.320 -0.000 0.000 0.293 539 A C -0.158 177.532 177.584 0.177 0.000 1.452 539 A CA 1.027 53.086 52.037 0.038 0.000 0.738 539 A CB -2.606 16.281 19.000 -0.189 0.000 1.123 539 A HN 1.258 nan 8.150 nan 0.000 0.389 540 H N 0.671 119.845 119.070 0.173 0.000 3.440 540 H HA 0.224 4.780 4.556 -0.000 0.000 0.232 540 H C 1.195 176.560 175.328 0.062 0.000 1.130 540 H CA 0.913 57.062 56.048 0.168 0.000 1.459 540 H CB -0.002 29.678 29.762 -0.137 0.000 1.607 540 H HN 0.805 nan 8.280 nan 0.000 0.515 541 A N 6.531 129.320 122.820 -0.053 0.000 2.478 541 A HA 0.008 4.328 4.320 -0.000 0.000 0.239 541 A C 1.079 178.579 177.584 -0.141 0.000 1.480 541 A CA -0.260 51.713 52.037 -0.107 0.000 1.308 541 A CB -0.764 18.153 19.000 -0.138 0.000 0.899 541 A HN 0.786 nan 8.150 nan 0.000 0.600 542 M N 1.328 120.868 119.600 -0.100 0.000 2.194 542 M HA 0.404 4.884 4.480 -0.000 0.000 0.347 542 M C 1.172 177.327 176.300 -0.242 0.000 1.439 542 M CA 1.241 56.463 55.300 -0.129 0.000 1.131 542 M CB -0.192 32.405 32.600 -0.006 0.000 1.733 542 M HN 0.807 nan 8.290 nan 0.000 0.467 543 G N 4.551 113.172 108.800 -0.299 0.000 2.583 543 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.292 543 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.292 543 G C -0.077 174.348 174.900 -0.792 0.000 1.203 543 G CA 0.300 45.028 45.100 -0.620 0.000 0.987 543 G HN 0.820 nan 8.290 nan 0.000 0.554 544 N N 1.480 119.548 118.700 -1.055 0.000 2.605 544 N HA 0.534 5.274 4.740 -0.000 0.000 0.258 544 N C -0.083 175.174 175.510 -0.421 0.000 1.156 544 N CA 0.995 53.603 53.050 -0.736 0.000 1.008 544 N CB 0.369 38.415 38.487 -0.736 0.000 1.354 544 N HN 0.675 nan 8.380 nan 0.000 0.509 545 S N 1.524 117.058 115.700 -0.276 0.000 2.998 545 S HA 0.589 5.059 4.470 -0.000 0.000 0.323 545 S C -0.432 174.090 174.600 -0.130 0.000 1.141 545 S CA -0.502 57.589 58.200 -0.183 0.000 0.873 545 S CB 0.304 63.422 63.200 -0.137 0.000 1.315 545 S HN 0.446 nan 8.310 nan 0.000 0.637 546 L N 0.432 121.611 121.223 -0.073 0.000 3.754 546 L HA -0.060 4.280 4.340 -0.000 0.000 0.410 546 L C 0.067 176.937 176.870 -0.001 0.000 1.230 546 L CA 0.826 55.637 54.840 -0.049 0.000 0.901 546 L CB -1.459 40.470 42.059 -0.216 0.000 1.982 546 L HN 0.627 nan 8.230 nan 0.000 0.822 547 G N -0.630 108.170 108.800 0.001 0.000 2.329 547 G HA2 0.578 4.538 3.960 -0.000 0.000 0.309 547 G HA3 0.578 4.538 3.960 -0.000 0.000 0.309 547 G C 1.022 175.955 174.900 0.055 0.000 1.110 547 G CA 0.124 45.205 45.100 -0.032 0.000 0.923 547 G HN 1.287 nan 8.290 nan 0.000 0.430 548 G N 1.744 110.598 108.800 0.090 0.000 2.168 548 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.197 548 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.197 548 G C 0.877 175.971 174.900 0.323 0.000 0.997 548 G CA 0.420 45.618 45.100 0.163 0.000 0.658 548 G HN 0.615 nan 8.290 nan 0.000 0.513 549 F N 1.958 122.015 119.950 0.178 0.000 2.069 549 F HA 0.136 4.663 4.527 -0.000 0.000 0.298 549 F C 2.792 178.778 175.800 0.309 0.000 1.113 549 F CA 2.854 61.023 58.000 0.281 0.000 1.214 549 F CB -0.408 38.693 39.000 0.168 0.000 0.978 549 F HN 0.319 nan 8.300 nan 0.000 0.474 550 A N -0.357 122.687 122.820 0.374 0.000 2.032 550 A HA -0.275 4.044 4.320 -0.000 0.000 0.221 550 A C 2.292 179.946 177.584 0.116 0.000 1.165 550 A CA 1.917 54.094 52.037 0.234 0.000 0.645 550 A CB -0.818 18.296 19.000 0.191 0.000 0.807 550 A HN 0.447 nan 8.150 nan 0.000 0.453 551 K N -1.614 118.834 120.400 0.080 0.000 2.026 551 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 551 K C 1.813 178.243 176.600 -0.283 0.000 1.048 551 K CA 1.895 58.139 56.287 -0.070 0.000 0.929 551 K CB -0.322 32.124 32.500 -0.091 0.000 0.713 551 K HN 0.633 nan 8.250 nan 0.000 0.439 552 Y N -0.768 119.290 120.300 -0.404 0.000 2.114 552 Y HA -0.255 4.294 4.550 -0.000 0.000 0.284 552 Y C 2.129 177.198 175.900 -1.385 0.000 1.143 552 Y CA 1.520 59.027 58.100 -0.989 0.000 1.135 552 Y CB -0.618 37.033 38.460 -1.348 0.000 0.980 552 Y HN 0.189 nan 8.280 nan 0.000 0.499 553 W N 0.338 121.235 121.300 -0.671 0.000 2.325 553 W HA -0.236 4.424 4.660 -0.000 0.000 0.299 553 W C 2.651 179.042 176.519 -0.214 0.000 1.215 553 W CA 1.827 58.913 57.345 -0.433 0.000 1.244 553 W CB -0.552 28.740 29.460 -0.281 0.000 1.140 553 W HN 0.123 nan 8.180 nan 0.000 0.523 554 Q N 0.378 120.149 119.800 -0.049 0.000 2.079 554 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 554 Q C 2.246 178.242 176.000 -0.006 0.000 0.974 554 Q CA 1.831 57.637 55.803 0.004 0.000 0.840 554 Q CB -0.367 28.384 28.738 0.022 0.000 0.898 554 Q HN 0.273 nan 8.270 nan 0.000 0.430 555 A N 0.598 123.344 122.820 -0.124 0.000 1.873 555 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 555 A C 1.795 179.452 177.584 0.122 0.000 1.186 555 A CA 1.108 53.117 52.037 -0.046 0.000 0.616 555 A CB -0.833 18.024 19.000 -0.239 0.000 0.823 555 A HN 0.390 nan 8.150 nan 0.000 0.442 556 F N 0.420 120.245 119.950 -0.208 0.000 2.063 556 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 556 F C 2.526 178.272 175.800 -0.089 0.000 1.109 556 F CA 1.568 59.409 58.000 -0.264 0.000 1.212 556 F CB -1.048 37.585 39.000 -0.612 0.000 0.973 556 F HN 0.227 nan 8.300 nan 0.000 0.480 557 R N -0.208 120.402 120.500 0.183 0.000 2.189 557 R HA -0.132 4.208 4.340 -0.000 0.000 0.218 557 R C 2.065 178.429 176.300 0.106 0.000 1.074 557 R CA 0.961 57.139 56.100 0.129 0.000 0.991 557 R CB -0.362 30.008 30.300 0.117 0.000 0.883 557 R HN 0.464 nan 8.270 nan 0.000 0.457 558 Q N -0.149 119.747 119.800 0.159 0.000 2.297 558 Q HA -0.004 4.336 4.340 -0.000 0.000 0.203 558 Q C -0.416 175.607 176.000 0.038 0.000 0.931 558 Q CA 0.494 56.365 55.803 0.112 0.000 0.885 558 Q CB 0.478 29.292 28.738 0.126 0.000 0.991 558 Q HN 0.176 nan 8.270 nan 0.000 0.498 559 Y N 1.049 121.349 120.300 0.001 0.000 2.383 559 Y HA 0.251 4.801 4.550 -0.000 0.000 0.344 559 Y C -1.704 174.179 175.900 -0.029 0.000 0.986 559 Y CA -2.683 55.411 58.100 -0.010 0.000 1.175 559 Y CB 1.219 39.676 38.460 -0.005 0.000 1.152 559 Y HN 0.166 nan 8.280 nan 0.000 0.511 560 P HA -0.178 nan 4.420 nan 0.000 0.216 560 P C 1.061 178.368 177.300 0.010 0.000 1.150 560 P CA 1.759 64.866 63.100 0.011 0.000 0.843 560 P CB 0.313 32.004 31.700 -0.016 0.000 0.787 561 R N -1.228 119.298 120.500 0.044 0.000 2.313 561 R HA 0.139 4.479 4.340 -0.000 0.000 0.199 561 R C 0.456 176.730 176.300 -0.044 0.000 0.958 561 R CA 0.065 56.167 56.100 0.003 0.000 1.047 561 R CB -0.317 29.992 30.300 0.015 0.000 0.955 561 R HN 0.272 nan 8.270 nan 0.000 0.481 562 L N 1.663 122.873 121.223 -0.022 0.000 2.260 562 L HA 0.177 4.517 4.340 -0.000 0.000 0.289 562 L C 0.669 177.365 176.870 -0.290 0.000 1.057 562 L CA 0.172 54.921 54.840 -0.151 0.000 0.811 562 L CB 1.249 43.283 42.059 -0.041 0.000 1.184 562 L HN 0.023 nan 8.230 nan 0.000 0.429 563 Q N 2.948 122.486 119.800 -0.436 0.000 2.141 563 Q HA 0.367 4.707 4.340 -0.000 0.000 0.248 563 Q C 0.435 176.040 176.000 -0.659 0.000 0.834 563 Q CA -0.125 55.421 55.803 -0.429 0.000 1.096 563 Q CB 1.557 30.145 28.738 -0.251 0.000 1.189 563 Q HN 0.973 nan 8.270 nan 0.000 0.471 564 G N -0.568 107.445 108.800 -1.312 0.000 2.331 564 G HA2 0.242 4.202 3.960 -0.000 0.000 0.479 564 G HA3 0.242 4.202 3.960 -0.000 0.000 0.479 564 G C -0.599 173.567 174.900 -1.224 0.000 1.262 564 G CA -0.626 43.629 45.100 -1.410 0.000 1.029 564 G HN 0.447 nan 8.290 nan 0.000 0.487 565 G N -2.170 106.160 108.800 -0.783 0.000 2.349 565 G HA2 0.649 4.609 3.960 -0.000 0.000 0.294 565 G HA3 0.649 4.609 3.960 -0.000 0.000 0.294 565 G C -1.957 172.869 174.900 -0.123 0.000 1.380 565 G CA -0.435 44.379 45.100 -0.478 0.000 0.811 565 G HN 1.143 nan 8.290 nan 0.000 0.519 566 F N 0.742 120.892 119.950 0.332 0.000 2.445 566 F HA 0.498 5.025 4.527 -0.000 0.000 0.348 566 F C 0.728 176.874 175.800 0.578 0.000 1.125 566 F CA -0.741 57.527 58.000 0.447 0.000 0.983 566 F CB 2.082 41.235 39.000 0.256 0.000 1.198 566 F HN 0.274 nan 8.300 nan 0.000 0.436 567 V N 3.357 123.652 119.914 0.636 0.000 2.788 567 V HA -0.147 3.973 4.120 -0.000 0.000 0.307 567 V C -0.205 176.100 176.094 0.350 0.000 1.069 567 V CA -0.204 62.273 62.300 0.295 0.000 1.173 567 V CB 0.626 32.608 31.823 0.264 0.000 0.925 567 V HN 0.776 nan 8.190 nan 0.000 0.492 568 W N 6.491 127.895 121.300 0.172 0.000 2.318 568 W HA 0.491 5.151 4.660 -0.000 0.000 0.315 568 W C -0.935 175.586 176.519 0.004 0.000 1.033 568 W CA -0.687 56.758 57.345 0.167 0.000 1.275 568 W CB 1.513 31.193 29.460 0.367 0.000 1.250 568 W HN 0.905 nan 8.180 nan 0.000 0.421 569 D N 3.074 123.123 120.400 -0.584 0.000 2.798 569 D HA 0.123 4.762 4.640 -0.000 0.000 0.308 569 D C 0.685 176.768 176.300 -0.361 0.000 1.187 569 D CA -0.563 53.004 54.000 -0.721 0.000 1.033 569 D CB 0.264 40.111 40.800 -1.589 0.000 1.445 569 D HN 0.418 nan 8.370 nan 0.000 0.550 570 W N 0.651 121.657 121.300 -0.491 0.000 2.381 570 W HA 0.058 4.718 4.660 -0.000 0.000 0.323 570 W C -0.071 176.240 176.519 -0.347 0.000 1.194 570 W CA 1.797 58.908 57.345 -0.390 0.000 1.296 570 W CB 0.117 29.371 29.460 -0.344 0.000 1.175 570 W HN 0.269 nan 8.180 nan 0.000 0.465 571 V N 0.095 119.783 119.914 -0.376 0.000 2.960 571 V HA 0.356 4.476 4.120 -0.000 0.000 0.315 571 V C -0.709 175.219 176.094 -0.277 0.000 1.087 571 V CA -1.111 60.942 62.300 -0.411 0.000 0.982 571 V CB 1.377 33.087 31.823 -0.189 0.000 1.039 571 V HN -0.129 nan 8.190 nan 0.000 0.437 572 D N 1.636 121.903 120.400 -0.221 0.000 2.351 572 D HA 0.218 4.858 4.640 -0.000 0.000 0.251 572 D C -0.040 176.198 176.300 -0.104 0.000 1.137 572 D CA 0.255 54.177 54.000 -0.130 0.000 0.879 572 D CB 1.537 42.331 40.800 -0.011 0.000 1.181 572 D HN 0.614 nan 8.370 nan 0.000 0.448 573 Q N 1.276 120.932 119.800 -0.240 0.000 3.150 573 Q HA 0.161 4.501 4.340 -0.000 0.000 0.297 573 Q C -0.381 175.694 176.000 0.126 0.000 1.382 573 Q CA -0.315 55.170 55.803 -0.531 0.000 1.059 573 Q CB 0.201 28.645 28.738 -0.490 0.000 1.559 573 Q HN 0.366 nan 8.270 nan 0.000 0.548 574 S N -0.082 115.805 115.700 0.313 0.000 2.537 574 S HA 0.694 5.164 4.470 -0.000 0.000 0.301 574 S C -0.231 174.538 174.600 0.283 0.000 1.092 574 S CA -0.838 57.570 58.200 0.347 0.000 1.048 574 S CB 1.741 65.090 63.200 0.248 0.000 1.053 574 S HN 0.309 nan 8.310 nan 0.000 0.501 575 L N 1.430 122.731 121.223 0.129 0.000 2.331 575 L HA 0.621 4.961 4.340 -0.000 0.000 0.268 575 L C -0.228 176.531 176.870 -0.185 0.000 1.015 575 L CA -1.177 53.612 54.840 -0.086 0.000 0.807 575 L CB 1.151 43.049 42.059 -0.267 0.000 1.293 575 L HN 0.606 nan 8.230 nan 0.000 0.451 576 I N 0.787 121.191 120.570 -0.278 0.000 2.437 576 I HA 0.343 4.513 4.170 -0.000 0.000 0.298 576 I C -0.159 175.523 176.117 -0.724 0.000 0.984 576 I CA -0.404 60.612 61.300 -0.472 0.000 1.214 576 I CB 1.514 39.277 38.000 -0.395 0.000 1.365 576 I HN 0.572 nan 8.210 nan 0.000 0.469 577 K N 4.117 123.792 120.400 -1.209 0.000 2.283 577 K HA 0.588 4.908 4.320 -0.000 0.000 0.257 577 K C -1.589 174.114 176.600 -1.496 0.000 1.066 577 K CA -0.688 54.776 56.287 -1.373 0.000 0.891 577 K CB 2.364 33.821 32.500 -1.739 0.000 1.438 577 K HN 0.282 nan 8.250 nan 0.000 0.464 578 Y N -0.458 119.604 120.300 -0.397 0.000 3.286 578 Y HA 0.207 4.757 4.550 -0.000 0.000 0.270 578 Y C 0.092 176.112 175.900 0.200 0.000 2.084 578 Y CA -0.192 57.889 58.100 -0.033 0.000 1.003 578 Y CB 0.648 39.076 38.460 -0.053 0.000 1.695 578 Y HN 0.873 nan 8.280 nan 0.000 0.495 579 D N -2.113 118.494 120.400 0.346 0.000 2.192 579 D HA 0.002 4.642 4.640 -0.000 0.000 0.054 579 D C 0.625 177.003 176.300 0.129 0.000 1.440 579 D CA 0.201 54.336 54.000 0.224 0.000 1.003 579 D CB -0.060 40.868 40.800 0.213 0.000 2.941 579 D HN 0.390 nan 8.370 nan 0.000 0.201 580 E N 0.173 120.438 120.200 0.108 0.000 2.033 580 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 580 E C 0.451 177.082 176.600 0.051 0.000 0.960 580 E CA 0.546 56.982 56.400 0.061 0.000 0.842 580 E CB -0.240 29.489 29.700 0.048 0.000 0.816 580 E HN 0.203 nan 8.360 nan 0.000 0.468 581 N N 0.703 119.441 118.700 0.063 0.000 2.466 581 N HA 0.087 4.827 4.740 -0.000 0.000 0.211 581 N C 0.271 175.814 175.510 0.056 0.000 1.256 581 N CA 0.706 53.784 53.050 0.047 0.000 0.840 581 N CB 0.173 38.690 38.487 0.050 0.000 1.079 581 N HN 0.394 nan 8.380 nan 0.000 0.466 582 G N 1.424 110.260 108.800 0.059 0.000 2.390 582 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.299 582 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.299 582 G C -0.442 174.622 174.900 0.274 0.000 1.002 582 G CA 0.028 45.125 45.100 -0.005 0.000 0.979 582 G HN 0.569 nan 8.290 nan 0.000 0.513 583 N N 0.386 119.302 118.700 0.359 0.000 2.425 583 N HA 0.571 5.311 4.740 -0.000 0.000 0.268 583 N C -2.433 173.267 175.510 0.317 0.000 0.991 583 N CA -2.612 50.625 53.050 0.311 0.000 0.931 583 N CB 1.855 40.450 38.487 0.180 0.000 1.130 583 N HN 0.153 nan 8.380 nan 0.000 0.493 584 P HA 0.127 nan 4.420 nan 0.000 0.269 584 P C -0.382 176.860 177.300 -0.098 0.000 1.215 584 P CA -0.190 62.730 63.100 -0.298 0.000 0.780 584 P CB 0.439 32.036 31.700 -0.171 0.000 0.898 585 W N -0.717 120.318 121.300 -0.443 0.000 3.800 585 W HA 0.283 4.943 4.660 -0.000 0.000 0.299 585 W C -1.585 174.717 176.519 -0.362 0.000 1.231 585 W CA -0.852 56.238 57.345 -0.425 0.000 1.232 585 W CB 0.025 29.053 29.460 -0.720 0.000 1.291 585 W HN 0.128 nan 8.180 nan 0.000 0.514 586 S N 2.375 118.099 115.700 0.039 0.000 2.515 586 S HA 0.419 4.888 4.470 -0.000 0.000 0.285 586 S C 0.379 175.069 174.600 0.150 0.000 1.265 586 S CA 0.268 58.496 58.200 0.046 0.000 1.079 586 S CB 0.629 63.910 63.200 0.135 0.000 0.877 586 S HN 0.613 nan 8.310 nan 0.000 0.493 587 A N 3.195 125.988 122.820 -0.045 0.000 2.325 587 A HA 0.829 5.149 4.320 -0.000 0.000 0.333 587 A C -0.502 177.286 177.584 0.340 0.000 1.155 587 A CA -0.752 51.295 52.037 0.017 0.000 0.814 587 A CB 0.619 19.391 19.000 -0.380 0.000 1.206 587 A HN 0.824 nan 8.150 nan 0.000 0.482 588 Y N -0.256 120.326 120.300 0.469 0.000 3.048 588 Y HA 0.776 5.326 4.550 -0.000 0.000 0.305 588 Y C 0.638 176.845 175.900 0.512 0.000 1.538 588 Y CA -1.654 56.704 58.100 0.430 0.000 1.082 588 Y CB -0.157 38.383 38.460 0.134 0.000 1.388 588 Y HN 0.926 nan 8.280 nan 0.000 0.557 589 G N -0.047 109.100 108.800 0.579 0.000 2.224 589 G HA2 0.369 4.329 3.960 -0.000 0.000 0.239 589 G HA3 0.369 4.329 3.960 -0.000 0.000 0.239 589 G C 0.985 176.233 174.900 0.579 0.000 1.240 589 G CA 0.581 45.941 45.100 0.433 0.000 0.896 589 G HN 1.994 nan 8.290 nan 0.000 0.496 590 G N 2.377 111.485 108.800 0.514 0.000 2.320 590 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.242 590 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.242 590 G C 0.948 176.094 174.900 0.409 0.000 1.033 590 G CA 0.691 46.043 45.100 0.420 0.000 0.620 590 G HN 0.676 nan 8.290 nan 0.000 0.517 591 D N -0.055 120.619 120.400 0.456 0.000 2.411 591 D HA 0.115 4.755 4.640 -0.000 0.000 0.226 591 D C 1.266 177.539 176.300 -0.045 0.000 0.988 591 D CA 0.657 54.791 54.000 0.223 0.000 0.938 591 D CB -0.250 40.638 40.800 0.146 0.000 0.883 591 D HN 0.498 nan 8.370 nan 0.000 0.525 592 F N -1.361 118.709 119.950 0.200 0.000 2.746 592 F HA 0.297 4.824 4.527 -0.000 0.000 0.320 592 F C 1.835 177.714 175.800 0.132 0.000 1.097 592 F CA 0.028 58.105 58.000 0.129 0.000 1.195 592 F CB 1.126 40.198 39.000 0.119 0.000 1.056 592 F HN 0.005 nan 8.300 nan 0.000 0.562 593 G N 0.407 109.382 108.800 0.293 0.000 2.176 593 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.232 593 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.232 593 G C -0.205 174.836 174.900 0.236 0.000 0.986 593 G CA -0.036 45.195 45.100 0.219 0.000 0.643 593 G HN 0.364 nan 8.290 nan 0.000 0.522 594 D N 1.045 121.632 120.400 0.312 0.000 2.450 594 D HA 0.415 5.054 4.640 -0.000 0.000 0.247 594 D C -0.270 176.164 176.300 0.224 0.000 1.162 594 D CA 0.784 54.955 54.000 0.285 0.000 0.879 594 D CB 1.046 42.063 40.800 0.363 0.000 1.163 594 D HN 0.092 nan 8.370 nan 0.000 0.472 595 T N 3.258 117.911 114.554 0.166 0.000 3.071 595 T HA 0.408 4.758 4.350 -0.000 0.000 0.311 595 T C -2.179 172.566 174.700 0.076 0.000 1.042 595 T CA -0.882 61.286 62.100 0.114 0.000 1.028 595 T CB 1.905 70.836 68.868 0.105 0.000 1.068 595 T HN 0.369 nan 8.240 nan 0.000 0.451 596 P HA 0.553 nan 4.420 nan 0.000 0.307 596 P C -0.837 176.483 177.300 0.032 0.000 1.306 596 P CA -0.660 62.453 63.100 0.022 0.000 0.742 596 P CB 0.614 32.294 31.700 -0.033 0.000 1.349 597 N N -2.396 116.315 118.700 0.018 0.000 3.322 597 N HA 0.062 4.802 4.740 -0.000 0.000 0.233 597 N C -1.583 173.959 175.510 0.054 0.000 1.399 597 N CA -0.500 52.577 53.050 0.045 0.000 0.894 597 N CB 0.809 39.411 38.487 0.192 0.000 1.440 597 N HN 0.197 nan 8.380 nan 0.000 0.503 598 D N 0.458 120.942 120.400 0.140 0.000 2.670 598 D HA 0.140 4.779 4.640 -0.000 0.000 0.255 598 D C 0.542 177.030 176.300 0.312 0.000 1.286 598 D CA -0.113 54.007 54.000 0.199 0.000 0.830 598 D CB 0.842 41.684 40.800 0.070 0.000 1.065 598 D HN 0.604 nan 8.370 nan 0.000 0.486 599 R N 0.753 121.394 120.500 0.234 0.000 3.682 599 R HA -0.371 3.969 4.340 -0.000 0.000 0.519 599 R C 1.026 177.202 176.300 -0.207 0.000 0.241 599 R CA 1.696 57.856 56.100 0.100 0.000 1.619 599 R CB -1.530 28.773 30.300 0.004 0.000 0.923 599 R HN 0.120 nan 8.270 nan 0.000 0.598 600 Q N 0.295 119.715 119.800 -0.634 0.000 2.515 600 Q HA 0.176 4.516 4.340 -0.000 0.000 0.212 600 Q C 1.242 176.939 176.000 -0.504 0.000 0.970 600 Q CA 1.041 56.333 55.803 -0.851 0.000 0.941 600 Q CB -0.103 27.932 28.738 -1.172 0.000 0.998 600 Q HN 0.453 nan 8.270 nan 0.000 0.518 601 F N 0.659 120.454 119.950 -0.258 0.000 2.722 601 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 601 F C 1.401 177.148 175.800 -0.089 0.000 1.175 601 F CA 0.131 58.082 58.000 -0.081 0.000 1.462 601 F CB -0.045 38.981 39.000 0.043 0.000 1.111 601 F HN 0.378 nan 8.300 nan 0.000 0.592 602 C N -1.392 117.700 119.300 -0.347 0.000 2.613 602 C HA 0.359 4.819 4.460 -0.000 0.000 0.273 602 C C 0.807 175.640 174.990 -0.262 0.000 1.304 602 C CA -0.567 58.132 59.018 -0.532 0.000 1.702 602 C CB -1.882 24.995 27.740 -1.438 0.000 1.792 602 C HN 0.201 nan 8.230 nan 0.000 0.588 603 M N 3.218 122.706 119.600 -0.187 0.000 2.027 603 M HA 0.354 4.834 4.480 -0.000 0.000 0.329 603 M C -0.447 175.778 176.300 -0.126 0.000 0.971 603 M CA 0.208 55.425 55.300 -0.138 0.000 0.933 603 M CB 0.551 33.088 32.600 -0.104 0.000 1.392 603 M HN 0.258 nan 8.290 nan 0.000 0.394 604 N N 1.479 120.093 118.700 -0.143 0.000 2.193 604 N HA 0.151 4.891 4.740 -0.000 0.000 0.236 604 N C 0.147 175.478 175.510 -0.299 0.000 1.347 604 N CA -0.156 52.773 53.050 -0.202 0.000 0.812 604 N CB 1.066 39.426 38.487 -0.211 0.000 1.297 604 N HN 0.672 nan 8.380 nan 0.000 0.499 605 G N 0.027 108.629 108.800 -0.331 0.000 2.580 605 G HA2 0.437 4.397 3.960 -0.000 0.000 0.278 605 G HA3 0.437 4.397 3.960 -0.000 0.000 0.278 605 G C 0.870 175.410 174.900 -0.601 0.000 1.212 605 G CA -0.465 44.347 45.100 -0.480 0.000 0.939 605 G HN 0.100 nan 8.290 nan 0.000 0.513 606 L N -0.526 120.292 121.223 -0.676 0.000 2.509 606 L HA 0.176 4.516 4.340 -0.000 0.000 0.222 606 L C 0.680 176.931 176.870 -1.033 0.000 1.123 606 L CA 0.289 54.731 54.840 -0.663 0.000 0.856 606 L CB -0.011 41.799 42.059 -0.414 0.000 0.985 606 L HN 0.366 nan 8.230 nan 0.000 0.456 607 V N -4.847 114.340 119.914 -1.211 0.000 3.007 607 V HA 0.496 4.616 4.120 -0.000 0.000 0.311 607 V C -0.447 175.153 176.094 -0.824 0.000 1.120 607 V CA -1.127 60.552 62.300 -1.034 0.000 0.980 607 V CB 1.836 33.125 31.823 -0.890 0.000 1.033 607 V HN -0.130 nan 8.190 nan 0.000 0.429 608 F N 2.034 121.767 119.950 -0.361 0.000 2.450 608 F HA 0.582 5.109 4.527 -0.000 0.000 0.339 608 F C 1.883 177.582 175.800 -0.167 0.000 1.146 608 F CA 0.568 58.501 58.000 -0.111 0.000 1.267 608 F CB 1.089 40.084 39.000 -0.007 0.000 1.178 608 F HN 0.826 nan 8.300 nan 0.000 0.585 609 A N 1.065 123.946 122.820 0.102 0.000 2.204 609 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 609 A C 1.503 179.047 177.584 -0.066 0.000 1.165 609 A CA 1.937 53.990 52.037 0.026 0.000 0.671 609 A CB -1.042 18.003 19.000 0.075 0.000 0.792 609 A HN 0.775 nan 8.150 nan 0.000 0.473 610 D N -3.422 116.963 120.400 -0.025 0.000 2.363 610 D HA 0.208 4.848 4.640 -0.000 0.000 0.214 610 D C 0.586 176.864 176.300 -0.036 0.000 1.093 610 D CA -0.267 53.693 54.000 -0.067 0.000 0.837 610 D CB -0.048 40.710 40.800 -0.070 0.000 0.948 610 D HN 0.120 nan 8.370 nan 0.000 0.507 611 R N -0.755 119.717 120.500 -0.047 0.000 3.854 611 R HA -0.114 4.226 4.340 -0.000 0.000 0.352 611 R C -0.407 175.877 176.300 -0.027 0.000 1.156 611 R CA 1.119 57.182 56.100 -0.061 0.000 0.917 611 R CB -3.236 27.075 30.300 0.017 0.000 1.471 611 R HN 0.537 nan 8.270 nan 0.000 0.521 612 T N -2.441 112.138 114.554 0.043 0.000 2.867 612 T HA 0.731 5.081 4.350 -0.000 0.000 0.282 612 T C -2.482 172.328 174.700 0.183 0.000 1.000 612 T CA -2.258 59.905 62.100 0.104 0.000 1.042 612 T CB 2.464 71.385 68.868 0.087 0.000 0.973 612 T HN -0.218 nan 8.240 nan 0.000 0.465 613 P HA 0.285 nan 4.420 nan 0.000 0.271 613 P C -0.272 177.090 177.300 0.103 0.000 1.216 613 P CA -0.218 62.879 63.100 -0.004 0.000 0.776 613 P CB 0.304 32.001 31.700 -0.006 0.000 0.881 614 H N 3.370 122.258 119.070 -0.302 0.000 2.509 614 H HA 0.194 4.750 4.556 -0.000 0.000 0.359 614 H C -1.215 174.002 175.328 -0.185 0.000 1.253 614 H CA -2.002 53.834 56.048 -0.352 0.000 1.373 614 H CB -0.459 29.079 29.762 -0.374 0.000 1.555 614 H HN 0.294 nan 8.280 nan 0.000 0.586 615 P HA -0.056 nan 4.420 nan 0.000 0.220 615 P C 0.998 178.279 177.300 -0.031 0.000 1.152 615 P CA 1.505 64.584 63.100 -0.036 0.000 0.812 615 P CB -0.012 31.651 31.700 -0.062 0.000 0.792 616 A N 0.277 123.086 122.820 -0.019 0.000 2.032 616 A HA -0.201 4.119 4.320 -0.000 0.000 0.221 616 A C 2.135 179.633 177.584 -0.144 0.000 1.165 616 A CA 1.409 53.390 52.037 -0.094 0.000 0.645 616 A CB -1.653 17.281 19.000 -0.110 0.000 0.807 616 A HN 0.141 nan 8.150 nan 0.000 0.453 617 L N 0.015 121.181 121.223 -0.094 0.000 2.021 617 L HA -0.200 4.140 4.340 -0.000 0.000 0.215 617 L C 2.455 179.315 176.870 -0.018 0.000 1.074 617 L CA 2.907 57.719 54.840 -0.046 0.000 0.760 617 L CB -1.314 40.731 42.059 -0.023 0.000 0.889 617 L HN 0.404 nan 8.230 nan 0.000 0.433 618 T N -1.054 113.502 114.554 0.003 0.000 2.788 618 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 618 T C 1.711 176.454 174.700 0.071 0.000 1.044 618 T CA 1.356 63.501 62.100 0.075 0.000 1.139 618 T CB -0.200 68.702 68.868 0.057 0.000 0.867 618 T HN 0.376 nan 8.240 nan 0.000 0.454 619 E N 1.553 121.729 120.200 -0.041 0.000 2.058 619 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 619 E C 2.250 178.763 176.600 -0.146 0.000 0.997 619 E CA 1.429 57.791 56.400 -0.064 0.000 0.801 619 E CB -0.615 28.991 29.700 -0.156 0.000 0.746 619 E HN 0.440 nan 8.360 nan 0.000 0.450 620 A N 1.100 123.711 122.820 -0.348 0.000 1.859 620 A HA -0.304 4.016 4.320 -0.000 0.000 0.217 620 A C 2.219 179.626 177.584 -0.294 0.000 1.198 620 A CA 2.348 54.155 52.037 -0.383 0.000 0.629 620 A CB -0.817 18.003 19.000 -0.301 0.000 0.830 620 A HN 0.316 nan 8.150 nan 0.000 0.446 621 K N -1.222 119.080 120.400 -0.163 0.000 2.063 621 K HA -0.269 4.050 4.320 -0.000 0.000 0.208 621 K C 2.123 178.574 176.600 -0.248 0.000 1.048 621 K CA 1.830 58.030 56.287 -0.145 0.000 0.928 621 K CB -0.439 32.123 32.500 0.103 0.000 0.713 621 K HN 0.778 nan 8.250 nan 0.000 0.442 622 H N -0.172 118.722 119.070 -0.293 0.000 2.321 622 H HA -0.103 4.452 4.556 -0.000 0.000 0.300 622 H C 1.898 176.929 175.328 -0.496 0.000 1.087 622 H CA 1.521 57.226 56.048 -0.572 0.000 1.319 622 H CB 0.308 29.773 29.762 -0.494 0.000 1.379 622 H HN 0.293 nan 8.280 nan 0.000 0.501 623 Q N 0.652 120.127 119.800 -0.543 0.000 2.170 623 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 623 Q C 1.681 177.109 176.000 -0.954 0.000 0.976 623 Q CA 1.182 56.602 55.803 -0.638 0.000 0.858 623 Q CB -0.150 28.376 28.738 -0.354 0.000 0.907 623 Q HN 0.687 nan 8.270 nan 0.000 0.433 624 Q N 1.119 120.304 119.800 -1.025 0.000 2.253 624 Q HA 0.028 4.368 4.340 -0.000 0.000 0.210 624 Q C -0.038 175.339 176.000 -1.038 0.000 0.907 624 Q CA -0.260 54.809 55.803 -1.223 0.000 0.948 624 Q CB 0.158 28.229 28.738 -1.112 0.000 1.033 624 Q HN 0.404 nan 8.270 nan 0.000 0.471 625 Q N -0.977 118.331 119.800 -0.820 0.000 2.421 625 Q HA 0.042 4.382 4.340 -0.000 0.000 0.255 625 Q C -0.260 175.265 176.000 -0.792 0.000 1.013 625 Q CA -0.018 55.362 55.803 -0.705 0.000 0.895 625 Q CB 0.456 28.941 28.738 -0.422 0.000 1.271 625 Q HN 0.129 nan 8.270 nan 0.000 0.460 626 F N -0.158 119.506 119.950 -0.475 0.000 2.710 626 F HA 0.254 4.781 4.527 -0.000 0.000 0.298 626 F C -0.088 175.135 175.800 -0.962 0.000 1.137 626 F CA -0.037 57.455 58.000 -0.846 0.000 1.444 626 F CB 0.305 38.467 39.000 -1.398 0.000 1.111 626 F HN 0.354 nan 8.300 nan 0.000 0.580 627 F N 0.015 119.829 119.950 -0.226 0.000 2.508 627 F HA 0.549 5.076 4.527 -0.000 0.000 0.325 627 F C -0.129 175.316 175.800 -0.592 0.000 1.090 627 F CA -1.092 56.677 58.000 -0.384 0.000 0.945 627 F CB 1.212 39.989 39.000 -0.372 0.000 1.156 627 F HN -0.346 nan 8.300 nan 0.000 0.463 628 Q N 3.027 122.543 119.800 -0.474 0.000 2.337 628 Q HA 0.494 4.834 4.340 -0.000 0.000 0.270 628 Q C -1.487 174.267 176.000 -0.409 0.000 1.043 628 Q CA -0.563 55.019 55.803 -0.369 0.000 0.794 628 Q CB 2.754 31.404 28.738 -0.146 0.000 1.281 628 Q HN 0.517 nan 8.270 nan 0.000 0.446 629 F N 0.483 120.560 119.950 0.211 0.000 2.508 629 F HA 0.623 5.150 4.527 -0.000 0.000 0.325 629 F C 0.507 176.568 175.800 0.435 0.000 1.090 629 F CA -0.839 57.368 58.000 0.346 0.000 0.945 629 F CB 1.926 41.250 39.000 0.541 0.000 1.156 629 F HN 0.137 nan 8.300 nan 0.000 0.463 630 R N 1.575 122.391 120.500 0.527 0.000 2.750 630 R HA 0.744 5.084 4.340 -0.000 0.000 0.281 630 R C -1.953 174.411 176.300 0.106 0.000 0.972 630 R CA -1.221 55.095 56.100 0.359 0.000 0.912 630 R CB 2.618 33.030 30.300 0.187 0.000 1.187 630 R HN 0.602 nan 8.270 nan 0.000 0.464 631 L N 1.024 122.176 121.223 -0.118 0.000 2.381 631 L HA 0.490 4.829 4.340 -0.000 0.000 0.274 631 L C -1.213 175.501 176.870 -0.260 0.000 0.988 631 L CA 0.082 54.627 54.840 -0.491 0.000 0.824 631 L CB 2.094 43.409 42.059 -1.240 0.000 1.263 631 L HN 0.501 nan 8.230 nan 0.000 0.410 632 S N 3.741 119.318 115.700 -0.205 0.000 2.789 632 S HA 0.693 5.163 4.470 -0.000 0.000 0.286 632 S C 0.409 174.930 174.600 -0.132 0.000 1.153 632 S CA 0.275 58.399 58.200 -0.127 0.000 1.084 632 S CB 0.406 63.564 63.200 -0.070 0.000 1.036 632 S HN 1.518 nan 8.310 nan 0.000 0.484 633 G N 5.015 113.739 108.800 -0.127 0.000 2.675 633 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.312 633 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.312 633 G C 0.113 174.924 174.900 -0.149 0.000 1.186 633 G CA 0.953 45.985 45.100 -0.114 0.000 0.965 633 G HN 0.752 nan 8.290 nan 0.000 0.548 634 Q N 0.930 120.645 119.800 -0.143 0.000 2.159 634 Q HA 0.422 4.761 4.340 -0.000 0.000 0.217 634 Q C 0.143 176.032 176.000 -0.185 0.000 0.818 634 Q CA 0.690 56.391 55.803 -0.170 0.000 1.008 634 Q CB 0.950 29.601 28.738 -0.145 0.000 1.148 634 Q HN 0.521 nan 8.270 nan 0.000 0.491 635 T N 0.895 115.348 114.554 -0.168 0.000 2.779 635 T HA 0.581 4.931 4.350 -0.000 0.000 0.280 635 T C -0.161 174.441 174.700 -0.163 0.000 0.987 635 T CA -0.438 61.576 62.100 -0.143 0.000 0.966 635 T CB 1.139 69.954 68.868 -0.089 0.000 0.933 635 T HN 0.101 nan 8.240 nan 0.000 0.442 636 I N 2.739 123.231 120.570 -0.129 0.000 2.321 636 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 636 I C 0.451 176.591 176.117 0.039 0.000 0.998 636 I CA -0.613 60.642 61.300 -0.074 0.000 1.227 636 I CB 1.450 39.428 38.000 -0.037 0.000 1.368 636 I HN 0.602 nan 8.210 nan 0.000 0.466 637 E N 6.407 126.658 120.200 0.085 0.000 2.134 637 E HA 0.427 4.777 4.350 -0.000 0.000 0.278 637 E C -1.410 175.292 176.600 0.170 0.000 0.959 637 E CA -0.617 55.845 56.400 0.103 0.000 0.783 637 E CB 1.614 31.360 29.700 0.077 0.000 1.095 637 E HN 0.345 nan 8.360 nan 0.000 0.399 638 V N 3.907 123.904 119.914 0.138 0.000 2.394 638 V HA 0.324 4.444 4.120 -0.000 0.000 0.282 638 V C 0.050 176.171 176.094 0.044 0.000 1.031 638 V CA -0.612 61.744 62.300 0.094 0.000 0.881 638 V CB 1.650 33.549 31.823 0.126 0.000 0.982 638 V HN 0.685 nan 8.190 nan 0.000 0.451 639 T N 3.395 117.937 114.554 -0.019 0.000 2.786 639 T HA 0.323 4.672 4.350 -0.000 0.000 0.283 639 T C -0.002 174.687 174.700 -0.018 0.000 0.992 639 T CA -0.130 61.966 62.100 -0.007 0.000 0.954 639 T CB 1.478 70.334 68.868 -0.020 0.000 0.934 639 T HN 0.708 nan 8.240 nan 0.000 0.440 640 S N 1.979 117.682 115.700 0.004 0.000 2.584 640 S HA 0.234 4.704 4.470 -0.000 0.000 0.273 640 S C 0.748 175.254 174.600 -0.157 0.000 1.311 640 S CA -0.406 57.745 58.200 -0.081 0.000 1.034 640 S CB 0.528 63.725 63.200 -0.005 0.000 0.939 640 S HN 0.748 nan 8.310 nan 0.000 0.513 641 E N 2.144 122.169 120.200 -0.293 0.000 2.660 641 E HA 0.111 4.461 4.350 -0.000 0.000 0.216 641 E C -1.025 175.422 176.600 -0.255 0.000 0.986 641 E CA -0.101 56.163 56.400 -0.227 0.000 1.037 641 E CB 0.465 30.052 29.700 -0.188 0.000 1.041 641 E HN 0.611 nan 8.360 nan 0.000 0.480 642 Y N 0.440 120.574 120.300 -0.276 0.000 2.304 642 Y HA 0.114 4.664 4.550 -0.000 0.000 0.327 642 Y C 1.345 177.034 175.900 -0.353 0.000 1.209 642 Y CA 0.183 58.066 58.100 -0.363 0.000 1.299 642 Y CB 0.772 39.008 38.460 -0.375 0.000 1.249 642 Y HN -0.051 nan 8.280 nan 0.000 0.519 643 L N 1.162 122.183 121.223 -0.338 0.000 2.556 643 L HA 0.102 4.442 4.340 -0.000 0.000 0.226 643 L C 0.427 176.762 176.870 -0.892 0.000 1.089 643 L CA 0.414 54.829 54.840 -0.709 0.000 0.864 643 L CB 0.089 41.450 42.059 -1.164 0.000 1.067 643 L HN 0.537 nan 8.230 nan 0.000 0.477 644 F N -0.558 119.368 119.950 -0.039 0.000 2.577 644 F HA 0.219 4.746 4.527 -0.000 0.000 0.282 644 F C 1.286 177.034 175.800 -0.086 0.000 0.957 644 F CA -0.840 57.116 58.000 -0.073 0.000 1.168 644 F CB -0.062 38.876 39.000 -0.104 0.000 0.958 644 F HN -0.160 nan 8.300 nan 0.000 0.702 645 R N 0.282 120.759 120.500 -0.038 0.000 2.560 645 R HA 0.411 4.751 4.340 -0.000 0.000 0.270 645 R C -0.835 175.433 176.300 -0.052 0.000 1.074 645 R CA -0.570 55.460 56.100 -0.116 0.000 1.140 645 R CB 0.470 30.597 30.300 -0.288 0.000 1.073 645 R HN 0.128 nan 8.270 nan 0.000 0.527 646 H N 0.146 119.177 119.070 -0.065 0.000 2.482 646 H HA 0.149 4.705 4.556 -0.000 0.000 0.344 646 H C -0.329 175.022 175.328 0.038 0.000 1.151 646 H CA -0.221 55.833 56.048 0.010 0.000 1.300 646 H CB 1.287 31.062 29.762 0.022 0.000 1.494 646 H HN 0.743 nan 8.280 nan 0.000 0.542 647 S N 2.215 117.800 115.700 -0.192 0.000 3.065 647 S HA 0.010 4.480 4.470 -0.000 0.000 0.311 647 S C 0.003 174.726 174.600 0.205 0.000 1.204 647 S CA -0.147 58.130 58.200 0.129 0.000 1.040 647 S CB -0.471 62.845 63.200 0.193 0.000 1.436 647 S HN 0.761 nan 8.310 nan 0.000 0.532 648 D N 1.004 121.517 120.400 0.188 0.000 2.395 648 D HA 0.108 4.748 4.640 -0.000 0.000 0.213 648 D C 0.287 176.650 176.300 0.105 0.000 1.110 648 D CA -0.325 53.772 54.000 0.161 0.000 0.835 648 D CB -0.056 40.821 40.800 0.129 0.000 0.965 648 D HN 0.464 nan 8.370 nan 0.000 0.505 649 N N 0.234 119.001 118.700 0.112 0.000 2.646 649 N HA 0.204 4.944 4.740 -0.000 0.000 0.296 649 N C -1.593 173.981 175.510 0.106 0.000 1.886 649 N CA -0.217 52.886 53.050 0.089 0.000 0.855 649 N CB 0.396 38.924 38.487 0.070 0.000 1.336 649 N HN 0.039 nan 8.380 nan 0.000 0.496 650 E N 0.056 120.313 120.200 0.094 0.000 2.278 650 E HA 0.413 4.763 4.350 -0.000 0.000 0.272 650 E C -1.597 175.023 176.600 0.035 0.000 0.890 650 E CA -0.647 55.790 56.400 0.062 0.000 0.770 650 E CB 2.102 31.827 29.700 0.041 0.000 1.212 650 E HN 0.010 nan 8.360 nan 0.000 0.415 651 L N 3.364 124.593 121.223 0.010 0.000 2.356 651 L HA 0.509 4.848 4.340 -0.000 0.000 0.277 651 L C -1.515 175.359 176.870 0.006 0.000 0.996 651 L CA -0.920 53.938 54.840 0.029 0.000 0.822 651 L CB 1.548 43.623 42.059 0.027 0.000 1.256 651 L HN 0.557 nan 8.230 nan 0.000 0.413 652 L N 5.234 126.527 121.223 0.118 0.000 2.265 652 L HA 0.404 4.744 4.340 -0.000 0.000 0.288 652 L C -0.599 176.483 176.870 0.353 0.000 1.058 652 L CA 0.221 55.165 54.840 0.174 0.000 0.809 652 L CB 0.389 42.568 42.059 0.201 0.000 1.179 652 L HN 0.570 nan 8.230 nan 0.000 0.429 653 H N 5.945 125.076 119.070 0.103 0.000 2.504 653 H HA 0.345 4.900 4.556 -0.000 0.000 0.322 653 H C -1.129 174.256 175.328 0.096 0.000 1.055 653 H CA -0.805 55.261 56.048 0.031 0.000 1.231 653 H CB 0.866 30.603 29.762 -0.041 0.000 1.417 653 H HN 0.696 nan 8.280 nan 0.000 0.472 654 W N 4.638 126.017 121.300 0.132 0.000 2.689 654 W HA 0.616 5.276 4.660 -0.000 0.000 0.340 654 W C -1.668 174.890 176.519 0.066 0.000 1.060 654 W CA -1.179 56.224 57.345 0.097 0.000 1.218 654 W CB 1.597 31.104 29.460 0.079 0.000 1.410 654 W HN 0.371 nan 8.180 nan 0.000 0.528 655 M N 3.413 123.178 119.600 0.274 0.000 2.421 655 M HA 0.475 4.954 4.480 -0.000 0.000 0.287 655 M C -2.096 174.377 176.300 0.289 0.000 1.183 655 M CA -0.507 54.860 55.300 0.112 0.000 0.916 655 M CB 2.431 35.007 32.600 -0.040 0.000 1.701 655 M HN 0.312 nan 8.290 nan 0.000 0.470 656 V N 2.581 122.652 119.914 0.262 0.000 2.628 656 V HA 1.026 5.146 4.120 -0.000 0.000 0.306 656 V C -0.364 175.825 176.094 0.160 0.000 1.045 656 V CA -0.622 61.830 62.300 0.254 0.000 0.905 656 V CB 1.251 33.242 31.823 0.280 0.000 0.997 656 V HN 0.980 nan 8.190 nan 0.000 0.436 657 A N 3.320 126.246 122.820 0.177 0.000 2.604 657 A HA 0.814 5.134 4.320 -0.000 0.000 0.295 657 A C -1.927 175.765 177.584 0.181 0.000 1.067 657 A CA -0.526 51.589 52.037 0.131 0.000 0.683 657 A CB 1.724 20.765 19.000 0.069 0.000 1.281 657 A HN 0.791 nan 8.150 nan 0.000 0.407 658 L N 1.695 122.994 121.223 0.127 0.000 2.280 658 L HA 0.526 4.866 4.340 -0.000 0.000 0.287 658 L C -0.594 176.362 176.870 0.143 0.000 1.023 658 L CA 0.125 55.048 54.840 0.139 0.000 0.819 658 L CB 0.513 42.624 42.059 0.087 0.000 1.212 658 L HN 0.752 nan 8.230 nan 0.000 0.420 659 D N 4.876 125.419 120.400 0.238 0.000 2.779 659 D HA -0.193 4.447 4.640 -0.000 0.000 0.223 659 D C 1.251 177.572 176.300 0.036 0.000 1.227 659 D CA 1.404 55.536 54.000 0.220 0.000 0.653 659 D CB -1.102 39.813 40.800 0.192 0.000 0.973 659 D HN 1.098 nan 8.370 nan 0.000 0.402 660 G N -0.868 107.914 108.800 -0.030 0.000 2.205 660 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.261 660 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.261 660 G C 0.202 175.020 174.900 -0.137 0.000 0.980 660 G CA 0.543 45.522 45.100 -0.203 0.000 0.632 660 G HN 0.511 nan 8.290 nan 0.000 0.533 661 K N 1.945 122.316 120.400 -0.049 0.000 2.253 661 K HA 0.554 4.873 4.320 -0.000 0.000 0.277 661 K C -2.587 174.003 176.600 -0.017 0.000 1.053 661 K CA -2.065 54.198 56.287 -0.041 0.000 0.892 661 K CB 1.865 34.353 32.500 -0.019 0.000 1.102 661 K HN 0.062 nan 8.250 nan 0.000 0.469 662 P HA 0.067 nan 4.420 nan 0.000 0.276 662 P C -0.172 177.123 177.300 -0.010 0.000 1.253 662 P CA -0.019 63.062 63.100 -0.032 0.000 0.766 662 P CB 0.715 32.373 31.700 -0.070 0.000 0.845 663 L N 1.783 123.020 121.223 0.024 0.000 2.425 663 L HA 0.448 4.788 4.340 -0.000 0.000 0.215 663 L C 0.943 177.841 176.870 0.046 0.000 1.065 663 L CA 0.407 55.271 54.840 0.040 0.000 0.842 663 L CB 0.057 42.158 42.059 0.068 0.000 1.033 663 L HN 0.362 nan 8.230 nan 0.000 0.474 664 A N -0.682 122.171 122.820 0.055 0.000 2.577 664 A HA 0.675 4.995 4.320 -0.000 0.000 0.297 664 A C -0.867 176.611 177.584 -0.176 0.000 1.060 664 A CA -0.346 51.719 52.037 0.046 0.000 0.697 664 A CB 1.468 20.623 19.000 0.259 0.000 1.281 664 A HN -0.035 nan 8.150 nan 0.000 0.402 665 S N -0.595 114.802 115.700 -0.504 0.000 2.715 665 S HA 1.009 5.479 4.470 -0.000 0.000 0.307 665 S C 0.041 173.657 174.600 -1.640 0.000 1.119 665 S CA -0.235 57.366 58.200 -0.998 0.000 0.937 665 S CB 2.053 64.916 63.200 -0.561 0.000 1.150 665 S HN 2.156 nan 8.310 nan 0.000 0.521 666 G N 0.126 107.821 108.800 -1.840 0.000 2.411 666 G HA2 0.519 4.479 3.960 -0.000 0.000 0.295 666 G HA3 0.519 4.479 3.960 -0.000 0.000 0.295 666 G C -2.351 172.083 174.900 -0.776 0.000 1.542 666 G CA -0.669 43.709 45.100 -1.203 0.000 0.814 666 G HN 0.510 nan 8.290 nan 0.000 0.557 667 E N -0.373 119.746 120.200 -0.135 0.000 2.224 667 E HA 0.577 4.927 4.350 -0.000 0.000 0.265 667 E C -1.163 175.573 176.600 0.228 0.000 0.878 667 E CA -0.811 55.613 56.400 0.040 0.000 0.759 667 E CB 2.938 32.597 29.700 -0.069 0.000 1.164 667 E HN 0.316 nan 8.360 nan 0.000 0.414 668 V N 3.856 123.942 119.914 0.286 0.000 2.569 668 V HA 0.341 4.461 4.120 -0.000 0.000 0.301 668 V C -2.435 173.763 176.094 0.173 0.000 1.044 668 V CA -2.097 60.334 62.300 0.218 0.000 0.874 668 V CB 1.756 33.711 31.823 0.221 0.000 1.002 668 V HN 0.561 nan 8.190 nan 0.000 0.424 669 P HA 0.232 nan 4.420 nan 0.000 0.271 669 P C -0.571 176.786 177.300 0.094 0.000 1.216 669 P CA -0.079 63.085 63.100 0.107 0.000 0.771 669 P CB 0.894 32.652 31.700 0.096 0.000 0.864 670 L N 3.119 124.383 121.223 0.069 0.000 2.326 670 L HA 0.246 4.586 4.340 -0.000 0.000 0.278 670 L C 0.503 177.427 176.870 0.089 0.000 1.092 670 L CA 0.349 55.217 54.840 0.046 0.000 0.810 670 L CB 0.653 42.676 42.059 -0.059 0.000 1.153 670 L HN 0.408 nan 8.230 nan 0.000 0.439 671 D N 3.060 123.520 120.400 0.099 0.000 2.621 671 D HA 0.352 4.992 4.640 -0.000 0.000 0.274 671 D C -1.229 175.122 176.300 0.085 0.000 1.215 671 D CA -0.184 53.928 54.000 0.187 0.000 0.810 671 D CB 0.802 41.739 40.800 0.227 0.000 1.248 671 D HN 0.064 nan 8.370 nan 0.000 0.517 672 V N 0.648 120.454 119.914 -0.181 0.000 2.680 672 V HA 0.896 5.016 4.120 -0.000 0.000 0.309 672 V C 0.411 176.147 176.094 -0.597 0.000 1.052 672 V CA -1.309 60.870 62.300 -0.202 0.000 0.908 672 V CB 1.654 33.486 31.823 0.016 0.000 1.001 672 V HN 0.491 nan 8.190 nan 0.000 0.431 673 A N 5.390 128.065 122.820 -0.242 0.000 2.274 673 A HA 0.786 5.106 4.320 -0.000 0.000 0.309 673 A C -2.288 175.280 177.584 -0.026 0.000 1.226 673 A CA -1.817 50.177 52.037 -0.072 0.000 0.853 673 A CB 0.155 19.235 19.000 0.132 0.000 1.146 673 A HN 0.730 nan 8.150 nan 0.000 0.518 674 P HA -0.193 nan 4.420 nan 0.000 0.264 674 P C -0.329 176.946 177.300 -0.042 0.000 1.139 674 P CA 1.089 64.174 63.100 -0.025 0.000 0.754 674 P CB 0.079 31.748 31.700 -0.051 0.000 0.737 675 Q N -0.945 118.817 119.800 -0.062 0.000 2.480 675 Q HA -0.201 4.139 4.340 -0.000 0.000 0.265 675 Q C 0.706 176.689 176.000 -0.028 0.000 1.072 675 Q CA 1.250 57.017 55.803 -0.060 0.000 1.018 675 Q CB -2.085 26.608 28.738 -0.074 0.000 1.433 675 Q HN 0.840 nan 8.270 nan 0.000 0.513 676 G N -0.146 108.647 108.800 -0.012 0.000 3.013 676 G HA2 0.682 4.642 3.960 -0.000 0.000 0.278 676 G HA3 0.682 4.642 3.960 -0.000 0.000 0.278 676 G C -0.861 174.052 174.900 0.021 0.000 1.353 676 G CA -0.835 44.270 45.100 0.008 0.000 1.043 676 G HN -0.006 nan 8.290 nan 0.000 0.523 677 K N -0.528 119.890 120.400 0.031 0.000 2.281 677 K HA 0.594 4.914 4.320 -0.000 0.000 0.242 677 K C -0.794 175.837 176.600 0.051 0.000 0.971 677 K CA -0.704 55.608 56.287 0.041 0.000 0.834 677 K CB 2.564 35.086 32.500 0.035 0.000 1.181 677 K HN 0.522 nan 8.250 nan 0.000 0.435 678 Q N 1.457 121.294 119.800 0.061 0.000 2.421 678 Q HA 0.492 4.832 4.340 -0.000 0.000 0.280 678 Q C -1.727 174.311 176.000 0.063 0.000 1.085 678 Q CA -0.790 55.051 55.803 0.065 0.000 0.807 678 Q CB 1.728 30.511 28.738 0.074 0.000 1.405 678 Q HN 0.487 nan 8.270 nan 0.000 0.419 679 L N 4.189 125.443 121.223 0.051 0.000 2.349 679 L HA 0.547 4.887 4.340 -0.000 0.000 0.278 679 L C -0.839 176.047 176.870 0.026 0.000 0.996 679 L CA -0.733 54.128 54.840 0.034 0.000 0.825 679 L CB 1.602 43.672 42.059 0.017 0.000 1.243 679 L HN 0.624 nan 8.230 nan 0.000 0.412 680 I N 2.815 123.395 120.570 0.017 0.000 2.362 680 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 680 I C -0.019 176.056 176.117 -0.069 0.000 0.994 680 I CA -0.468 60.828 61.300 -0.006 0.000 1.158 680 I CB 2.124 40.138 38.000 0.022 0.000 1.315 680 I HN 0.624 nan 8.210 nan 0.000 0.451 681 E N 5.950 126.104 120.200 -0.076 0.000 2.227 681 E HA 0.438 4.788 4.350 -0.000 0.000 0.282 681 E C -1.023 175.465 176.600 -0.187 0.000 1.015 681 E CA -0.651 55.680 56.400 -0.114 0.000 0.823 681 E CB 1.634 31.286 29.700 -0.079 0.000 1.081 681 E HN 0.454 nan 8.360 nan 0.000 0.396 682 L N 6.741 127.815 121.223 -0.248 0.000 2.265 682 L HA 0.321 4.661 4.340 -0.000 0.000 0.288 682 L C -1.852 174.860 176.870 -0.263 0.000 1.058 682 L CA -2.021 52.595 54.840 -0.373 0.000 0.809 682 L CB 0.608 42.390 42.059 -0.461 0.000 1.179 682 L HN 0.427 nan 8.230 nan 0.000 0.429 683 P HA -0.085 nan 4.420 nan 0.000 0.267 683 P C -0.192 177.035 177.300 -0.120 0.000 1.195 683 P CA -0.142 62.882 63.100 -0.126 0.000 0.773 683 P CB 0.484 32.149 31.700 -0.057 0.000 0.837 684 E N 1.038 121.198 120.200 -0.066 0.000 2.653 684 E HA -0.040 4.309 4.350 -0.000 0.000 0.264 684 E C -0.443 176.132 176.600 -0.041 0.000 0.949 684 E CA 0.258 56.626 56.400 -0.054 0.000 0.953 684 E CB 0.195 29.878 29.700 -0.029 0.000 0.925 684 E HN 0.349 nan 8.360 nan 0.000 0.475 685 L N 6.382 127.577 121.223 -0.046 0.000 2.295 685 L HA 0.328 4.667 4.340 -0.000 0.000 0.285 685 L C -1.933 174.942 176.870 0.008 0.000 1.035 685 L CA -2.312 52.518 54.840 -0.017 0.000 0.806 685 L CB 1.285 43.321 42.059 -0.038 0.000 1.214 685 L HN 0.494 nan 8.230 nan 0.000 0.426 686 P HA -0.100 nan 4.420 nan 0.000 0.259 686 P C -1.102 176.213 177.300 0.025 0.000 1.155 686 P CA 0.452 63.574 63.100 0.038 0.000 0.759 686 P CB 0.226 31.962 31.700 0.060 0.000 0.753 687 Q N 3.500 123.310 119.800 0.017 0.000 2.700 687 Q HA 0.295 4.634 4.340 -0.000 0.000 0.249 687 Q C -1.980 174.027 176.000 0.012 0.000 1.033 687 Q CA -1.647 54.162 55.803 0.010 0.000 0.804 687 Q CB 0.652 29.390 28.738 0.000 0.000 1.164 687 Q HN 0.428 nan 8.270 nan 0.000 0.500 688 P HA 0.017 nan 4.420 nan 0.000 0.272 688 P C 0.130 177.439 177.300 0.015 0.000 1.254 688 P CA -0.070 63.042 63.100 0.020 0.000 0.795 688 P CB 1.057 32.773 31.700 0.028 0.000 1.022 689 E N -1.381 118.829 120.200 0.016 0.000 2.399 689 E HA 0.072 4.421 4.350 -0.000 0.000 0.206 689 E C 0.106 176.717 176.600 0.018 0.000 0.812 689 E CA 0.006 56.414 56.400 0.014 0.000 1.138 689 E CB -0.214 29.493 29.700 0.012 0.000 1.140 689 E HN 0.331 nan 8.360 nan 0.000 0.536 690 S N 2.172 117.885 115.700 0.021 0.000 2.550 690 S HA 0.181 4.650 4.470 -0.000 0.000 0.285 690 S C 0.400 175.017 174.600 0.030 0.000 1.326 690 S CA 0.011 58.227 58.200 0.026 0.000 1.037 690 S CB 0.559 63.776 63.200 0.029 0.000 0.838 690 S HN 0.366 nan 8.310 nan 0.000 0.519 691 A N 1.718 124.558 122.820 0.033 0.000 2.425 691 A HA 0.665 4.985 4.320 -0.000 0.000 0.249 691 A C 0.917 178.530 177.584 0.049 0.000 1.084 691 A CA 0.352 52.411 52.037 0.037 0.000 0.781 691 A CB -0.391 18.633 19.000 0.040 0.000 1.019 691 A HN 1.630 nan 8.150 nan 0.000 0.490 692 G N 0.283 109.111 108.800 0.047 0.000 2.359 692 G HA2 0.369 4.329 3.960 -0.000 0.000 0.293 692 G HA3 0.369 4.329 3.960 -0.000 0.000 0.293 692 G C -1.357 173.573 174.900 0.051 0.000 1.300 692 G CA -0.881 44.261 45.100 0.069 0.000 0.888 692 G HN 0.824 nan 8.290 nan 0.000 0.541 693 Q N -0.405 119.452 119.800 0.095 0.000 2.325 693 Q HA 0.566 4.906 4.340 -0.000 0.000 0.262 693 Q C -0.795 175.269 176.000 0.106 0.000 0.968 693 Q CA -0.760 55.067 55.803 0.039 0.000 0.877 693 Q CB 1.990 30.787 28.738 0.099 0.000 1.253 693 Q HN 0.436 nan 8.270 nan 0.000 0.448 694 L N 4.135 125.338 121.223 -0.033 0.000 2.265 694 L HA 0.398 4.738 4.340 -0.000 0.000 0.288 694 L C -1.610 175.253 176.870 -0.012 0.000 1.058 694 L CA 0.232 55.093 54.840 0.035 0.000 0.809 694 L CB 0.258 42.318 42.059 0.002 0.000 1.179 694 L HN 0.585 nan 8.230 nan 0.000 0.429 695 W N 5.345 126.714 121.300 0.115 0.000 2.785 695 W HA 0.557 5.217 4.660 -0.000 0.000 0.333 695 W C -1.020 175.608 176.519 0.182 0.000 1.062 695 W CA -0.729 56.708 57.345 0.154 0.000 1.233 695 W CB 1.807 31.385 29.460 0.197 0.000 1.413 695 W HN 0.251 nan 8.180 nan 0.000 0.489 696 L N 3.202 124.745 121.223 0.533 0.000 2.307 696 L HA 0.745 5.085 4.340 -0.000 0.000 0.284 696 L C -0.360 176.823 176.870 0.522 0.000 1.023 696 L CA 0.175 55.299 54.840 0.473 0.000 0.810 696 L CB 1.490 43.777 42.059 0.381 0.000 1.231 696 L HN 0.300 nan 8.230 nan 0.000 0.423 697 T N 4.831 119.624 114.554 0.397 0.000 2.879 697 T HA 0.624 4.974 4.350 -0.000 0.000 0.290 697 T C -1.043 173.816 174.700 0.266 0.000 0.993 697 T CA -0.411 61.860 62.100 0.285 0.000 0.975 697 T CB 1.507 70.475 68.868 0.167 0.000 0.981 697 T HN 0.570 nan 8.240 nan 0.000 0.439 698 V N 2.151 122.178 119.914 0.189 0.000 2.680 698 V HA 0.846 4.966 4.120 -0.000 0.000 0.309 698 V C -0.702 175.427 176.094 0.058 0.000 1.052 698 V CA -1.051 61.319 62.300 0.115 0.000 0.908 698 V CB 1.864 33.682 31.823 -0.009 0.000 1.001 698 V HN 0.793 nan 8.190 nan 0.000 0.431 699 R N 2.532 123.093 120.500 0.100 0.000 2.750 699 R HA 0.819 5.159 4.340 -0.000 0.000 0.281 699 R C -1.582 174.767 176.300 0.081 0.000 0.972 699 R CA -0.804 55.368 56.100 0.121 0.000 0.912 699 R CB 2.688 33.030 30.300 0.069 0.000 1.187 699 R HN 0.673 nan 8.270 nan 0.000 0.464 700 V N 3.540 123.535 119.914 0.135 0.000 2.334 700 V HA 0.333 4.452 4.120 -0.000 0.000 0.281 700 V C -0.531 175.585 176.094 0.037 0.000 1.016 700 V CA -0.586 61.762 62.300 0.080 0.000 0.832 700 V CB 1.634 33.528 31.823 0.118 0.000 0.999 700 V HN 0.440 nan 8.190 nan 0.000 0.439 701 V N 5.101 124.962 119.914 -0.087 0.000 2.581 701 V HA 0.454 4.574 4.120 -0.000 0.000 0.303 701 V C -0.203 175.889 176.094 -0.003 0.000 1.041 701 V CA -0.820 61.425 62.300 -0.091 0.000 0.907 701 V CB 1.855 33.508 31.823 -0.285 0.000 0.994 701 V HN 0.850 nan 8.190 nan 0.000 0.442 702 Q N 4.863 124.702 119.800 0.065 0.000 2.390 702 Q HA 0.288 4.628 4.340 -0.000 0.000 0.249 702 Q C -1.833 174.189 176.000 0.036 0.000 0.996 702 Q CA -1.724 54.127 55.803 0.081 0.000 0.899 702 Q CB 1.985 30.794 28.738 0.118 0.000 1.216 702 Q HN 0.469 nan 8.270 nan 0.000 0.465 703 P HA -0.177 nan 4.420 nan 0.000 0.215 703 P C -0.545 176.760 177.300 0.008 0.000 1.157 703 P CA 1.284 64.397 63.100 0.022 0.000 0.868 703 P CB 0.380 32.100 31.700 0.033 0.000 0.788 704 N N -1.152 117.546 118.700 -0.003 0.000 2.492 704 N HA 0.453 5.192 4.740 -0.000 0.000 0.289 704 N C -0.292 175.174 175.510 -0.075 0.000 1.133 704 N CA -0.642 52.391 53.050 -0.028 0.000 0.961 704 N CB 0.721 39.194 38.487 -0.024 0.000 1.186 704 N HN -0.029 nan 8.380 nan 0.000 0.493 705 A N 0.174 122.941 122.820 -0.089 0.000 2.327 705 A HA 0.602 4.922 4.320 -0.000 0.000 0.255 705 A C 0.495 177.952 177.584 -0.212 0.000 1.099 705 A CA 0.034 51.978 52.037 -0.155 0.000 0.801 705 A CB 0.030 18.964 19.000 -0.109 0.000 1.062 705 A HN 0.737 nan 8.150 nan 0.000 0.496 706 T N -4.474 109.874 114.554 -0.345 0.000 2.681 706 T HA 0.594 4.943 4.350 -0.000 0.000 0.296 706 T C 0.841 175.350 174.700 -0.319 0.000 1.157 706 T CA 0.186 62.058 62.100 -0.380 0.000 1.025 706 T CB 0.845 69.259 68.868 -0.756 0.000 1.441 706 T HN 1.512 nan 8.240 nan 0.000 0.504 707 A N -0.005 122.717 122.820 -0.163 0.000 2.015 707 A HA 0.127 4.447 4.320 -0.000 0.000 0.219 707 A C 1.569 179.281 177.584 0.214 0.000 1.163 707 A CA 1.257 53.362 52.037 0.113 0.000 0.646 707 A CB -0.834 18.335 19.000 0.283 0.000 0.806 707 A HN 0.922 nan 8.150 nan 0.000 0.448 708 W N -0.703 120.642 121.300 0.076 0.000 2.684 708 W HA 0.469 5.129 4.660 -0.000 0.000 0.381 708 W C -0.323 176.154 176.519 -0.070 0.000 0.975 708 W CA 0.351 57.692 57.345 -0.006 0.000 1.789 708 W CB -1.095 28.349 29.460 -0.027 0.000 1.161 708 W HN 0.429 nan 8.180 nan 0.000 0.564 709 S N 0.070 115.381 115.700 -0.647 0.000 2.533 709 S HA 0.433 4.903 4.470 -0.000 0.000 0.271 709 S C -0.956 173.419 174.600 -0.375 0.000 1.143 709 S CA -0.658 57.185 58.200 -0.594 0.000 0.891 709 S CB 2.402 64.865 63.200 -1.228 0.000 1.105 709 S HN 0.134 nan 8.310 nan 0.000 0.468 710 E N 1.365 121.468 120.200 -0.162 0.000 2.345 710 E HA 0.618 4.968 4.350 -0.000 0.000 0.259 710 E C 0.454 177.022 176.600 -0.052 0.000 1.117 710 E CA -0.847 55.505 56.400 -0.080 0.000 0.913 710 E CB 0.740 30.433 29.700 -0.013 0.000 1.057 710 E HN 0.913 nan 8.360 nan 0.000 0.432 711 A N 0.697 123.496 122.820 -0.035 0.000 2.466 711 A HA 0.390 4.709 4.320 -0.000 0.000 0.238 711 A C 1.270 178.868 177.584 0.023 0.000 1.074 711 A CA 0.609 52.639 52.037 -0.012 0.000 0.774 711 A CB -0.591 18.404 19.000 -0.008 0.000 1.015 711 A HN 0.845 nan 8.150 nan 0.000 0.498 712 G N -0.413 108.406 108.800 0.031 0.000 2.253 712 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.251 712 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.251 712 G C 0.454 175.388 174.900 0.057 0.000 0.998 712 G CA 0.523 45.642 45.100 0.032 0.000 0.621 712 G HN 1.490 nan 8.290 nan 0.000 0.524 713 H N 1.019 120.089 119.070 0.001 0.000 3.134 713 H HA 0.129 4.685 4.556 -0.000 0.000 0.326 713 H C 0.031 175.412 175.328 0.088 0.000 1.017 713 H CA 0.816 56.892 56.048 0.046 0.000 1.359 713 H CB 0.179 29.964 29.762 0.038 0.000 1.300 713 H HN 0.222 nan 8.280 nan 0.000 0.596 714 I N 4.748 125.006 120.570 -0.520 0.000 2.330 714 I HA -0.068 4.102 4.170 -0.000 0.000 0.289 714 I C 1.265 177.277 176.117 -0.174 0.000 1.001 714 I CA -0.066 61.103 61.300 -0.218 0.000 1.193 714 I CB 1.772 39.709 38.000 -0.105 0.000 1.345 714 I HN 0.607 nan 8.210 nan 0.000 0.461 715 S N 4.509 120.303 115.700 0.158 0.000 2.497 715 S HA 0.460 4.930 4.470 -0.000 0.000 0.221 715 S C 0.581 175.385 174.600 0.341 0.000 1.037 715 S CA -0.074 58.330 58.200 0.340 0.000 0.920 715 S CB 0.765 64.273 63.200 0.513 0.000 0.800 715 S HN 0.686 nan 8.310 nan 0.000 0.505 716 A N 0.392 123.444 122.820 0.388 0.000 2.610 716 A HA 0.705 5.025 4.320 -0.000 0.000 0.291 716 A C -1.912 175.949 177.584 0.461 0.000 1.086 716 A CA -0.930 51.289 52.037 0.303 0.000 0.677 716 A CB 0.536 19.765 19.000 0.382 0.000 1.278 716 A HN 0.899 nan 8.150 nan 0.000 0.414 717 W N -0.652 120.803 121.300 0.258 0.000 3.066 717 W HA 0.796 5.456 4.660 -0.000 0.000 0.330 717 W C -1.250 175.273 176.519 0.006 0.000 1.253 717 W CA -0.604 56.764 57.345 0.040 0.000 1.187 717 W CB 1.258 30.691 29.460 -0.045 0.000 1.434 717 W HN 0.883 nan 8.180 nan 0.000 0.572 718 Q N 1.729 121.496 119.800 -0.055 0.000 2.472 718 Q HA 0.386 4.725 4.340 -0.000 0.000 0.281 718 Q C -1.632 174.142 176.000 -0.377 0.000 0.997 718 Q CA -0.674 54.946 55.803 -0.305 0.000 0.828 718 Q CB 2.564 30.924 28.738 -0.631 0.000 1.443 718 Q HN 0.597 nan 8.270 nan 0.000 0.390 719 Q N 2.754 122.283 119.800 -0.452 0.000 2.359 719 Q HA 0.563 4.903 4.340 -0.000 0.000 0.274 719 Q C -1.420 174.531 176.000 -0.083 0.000 1.074 719 Q CA -0.551 55.170 55.803 -0.137 0.000 0.810 719 Q CB 1.526 30.335 28.738 0.118 0.000 1.342 719 Q HN 0.653 nan 8.270 nan 0.000 0.427 720 W N 2.615 124.151 121.300 0.394 0.000 2.844 720 W HA 0.469 5.129 4.660 -0.000 0.000 0.340 720 W C -0.253 176.347 176.519 0.135 0.000 1.093 720 W CA -0.859 56.652 57.345 0.276 0.000 1.212 720 W CB 2.003 31.538 29.460 0.126 0.000 1.422 720 W HN 0.667 nan 8.180 nan 0.000 0.515 721 R N 2.710 123.100 120.500 -0.183 0.000 2.205 721 R HA 0.250 4.590 4.340 -0.000 0.000 0.342 721 R C 0.856 176.939 176.300 -0.361 0.000 1.058 721 R CA -0.160 55.386 56.100 -0.922 0.000 0.904 721 R CB 0.414 29.844 30.300 -1.451 0.000 1.089 721 R HN 0.612 nan 8.270 nan 0.000 0.471 722 L N 2.849 123.933 121.223 -0.230 0.000 1.976 722 L HA 0.088 4.428 4.340 -0.000 0.000 0.209 722 L C 0.838 177.626 176.870 -0.138 0.000 1.071 722 L CA 1.356 56.127 54.840 -0.115 0.000 0.746 722 L CB -0.319 41.721 42.059 -0.032 0.000 0.890 722 L HN 0.724 nan 8.230 nan 0.000 0.432 723 A N -0.907 121.816 122.820 -0.160 0.000 2.608 723 A HA 0.527 4.847 4.320 -0.000 0.000 0.292 723 A C -1.335 176.171 177.584 -0.129 0.000 1.066 723 A CA -0.535 51.428 52.037 -0.124 0.000 0.676 723 A CB 1.567 20.524 19.000 -0.072 0.000 1.277 723 A HN 0.110 nan 8.150 nan 0.000 0.413 724 E N 0.311 120.450 120.200 -0.101 0.000 2.227 724 E HA 0.568 4.918 4.350 -0.000 0.000 0.268 724 E C -1.356 175.222 176.600 -0.036 0.000 0.907 724 E CA -0.753 55.602 56.400 -0.076 0.000 0.786 724 E CB 1.136 30.787 29.700 -0.081 0.000 1.191 724 E HN 0.531 nan 8.360 nan 0.000 0.411 725 N N 3.581 122.272 118.700 -0.015 0.000 2.573 725 N HA 0.288 5.027 4.740 -0.000 0.000 0.262 725 N C -0.892 174.625 175.510 0.011 0.000 1.029 725 N CA -0.376 52.674 53.050 0.000 0.000 0.882 725 N CB 0.996 39.489 38.487 0.009 0.000 1.204 725 N HN 0.430 nan 8.380 nan 0.000 0.519 726 L N 0.631 121.860 121.223 0.010 0.000 2.461 726 L HA 0.219 4.559 4.340 -0.000 0.000 0.272 726 L C 1.085 177.970 176.870 0.026 0.000 1.197 726 L CA -0.114 54.738 54.840 0.020 0.000 0.836 726 L CB 0.588 42.658 42.059 0.018 0.000 1.105 726 L HN 0.420 nan 8.230 nan 0.000 0.477 727 S N 1.966 117.686 115.700 0.034 0.000 2.438 727 S HA 0.384 4.854 4.470 -0.000 0.000 0.293 727 S C 0.034 174.654 174.600 0.033 0.000 1.141 727 S CA -0.871 57.350 58.200 0.035 0.000 1.080 727 S CB 1.204 64.430 63.200 0.043 0.000 0.978 727 S HN 0.417 nan 8.310 nan 0.000 0.479 728 V N 2.222 122.153 119.914 0.028 0.000 2.933 728 V HA 0.385 4.505 4.120 -0.000 0.000 0.374 728 V C 0.533 176.642 176.094 0.024 0.000 1.321 728 V CA -0.229 62.086 62.300 0.025 0.000 1.290 728 V CB -1.124 30.711 31.823 0.020 0.000 1.346 728 V HN 0.919 nan 8.190 nan 0.000 0.560 729 T N -0.338 114.233 114.554 0.028 0.000 2.795 729 T HA 0.745 5.095 4.350 -0.000 0.000 0.282 729 T C -0.323 174.392 174.700 0.026 0.000 0.980 729 T CA -0.584 61.531 62.100 0.025 0.000 1.012 729 T CB 1.678 70.561 68.868 0.025 0.000 0.936 729 T HN 0.304 nan 8.240 nan 0.000 0.457 730 L N 4.555 125.791 121.223 0.022 0.000 2.380 730 L HA 0.422 4.762 4.340 -0.000 0.000 0.273 730 L C -1.443 175.437 176.870 0.018 0.000 1.138 730 L CA -1.921 52.931 54.840 0.020 0.000 0.832 730 L CB -0.212 41.857 42.059 0.017 0.000 1.124 730 L HN 0.579 nan 8.230 nan 0.000 0.454 731 P HA 0.162 nan 4.420 nan 0.000 0.271 731 P C -0.478 176.823 177.300 0.002 0.000 1.216 731 P CA -0.435 62.673 63.100 0.013 0.000 0.771 731 P CB 0.879 32.587 31.700 0.013 0.000 0.864 732 A N 3.165 125.982 122.820 -0.006 0.000 2.561 732 A HA 0.398 4.718 4.320 -0.000 0.000 0.234 732 A C 0.857 178.416 177.584 -0.041 0.000 1.055 732 A CA 0.129 52.152 52.037 -0.022 0.000 0.756 732 A CB -0.473 18.506 19.000 -0.036 0.000 0.986 732 A HN 0.781 nan 8.150 nan 0.000 0.505 733 A N 2.499 125.295 122.820 -0.040 0.000 2.425 733 A HA 0.528 4.848 4.320 -0.000 0.000 0.242 733 A C 0.856 178.349 177.584 -0.152 0.000 1.077 733 A CA 0.400 52.409 52.037 -0.046 0.000 0.781 733 A CB -0.202 18.803 19.000 0.008 0.000 1.020 733 A HN 1.849 nan 8.150 nan 0.000 0.494 734 S N -0.013 115.611 115.700 -0.127 0.000 2.621 734 S HA 0.540 5.010 4.470 -0.000 0.000 0.302 734 S C -0.151 174.380 174.600 -0.115 0.000 1.093 734 S CA -0.639 57.431 58.200 -0.216 0.000 1.017 734 S CB 0.970 64.115 63.200 -0.090 0.000 1.077 734 S HN 0.696 nan 8.310 nan 0.000 0.517 735 H N 0.020 119.097 119.070 0.012 0.000 2.505 735 H HA 0.643 5.199 4.556 -0.000 0.000 0.289 735 H C 0.458 175.790 175.328 0.006 0.000 1.052 735 H CA 0.066 56.118 56.048 0.007 0.000 1.156 735 H CB 0.400 30.166 29.762 0.006 0.000 1.507 735 H HN 0.854 nan 8.280 nan 0.000 0.548 736 A N 1.178 124.056 122.820 0.098 0.000 2.490 736 A HA 0.507 4.826 4.320 -0.000 0.000 0.292 736 A C -1.604 176.004 177.584 0.041 0.000 1.047 736 A CA -0.803 51.271 52.037 0.062 0.000 0.632 736 A CB 0.839 19.876 19.000 0.062 0.000 1.323 736 A HN 0.250 nan 8.150 nan 0.000 0.448 737 I N -1.642 118.951 120.570 0.038 0.000 2.969 737 I HA 0.820 4.990 4.170 -0.000 0.000 0.307 737 I C -2.843 173.310 176.117 0.060 0.000 1.149 737 I CA -2.736 58.585 61.300 0.035 0.000 1.008 737 I CB 2.281 40.292 38.000 0.018 0.000 1.232 737 I HN 0.424 nan 8.210 nan 0.000 0.435 738 P HA -0.012 nan 4.420 nan 0.000 0.270 738 P C -1.233 176.155 177.300 0.147 0.000 1.221 738 P CA 0.401 63.558 63.100 0.096 0.000 0.788 738 P CB 0.129 31.841 31.700 0.020 0.000 0.904 739 H N 1.761 120.861 119.070 0.050 0.000 2.725 739 H HA 0.278 4.834 4.556 -0.000 0.000 0.283 739 H C -0.524 174.821 175.328 0.029 0.000 1.110 739 H CA -1.175 54.891 56.048 0.029 0.000 1.289 739 H CB 0.385 30.164 29.762 0.028 0.000 1.400 739 H HN 0.189 nan 8.280 nan 0.000 0.493 740 L N 5.001 126.180 121.223 -0.073 0.000 2.513 740 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 740 L C -0.526 176.159 176.870 -0.307 0.000 1.187 740 L CA 0.933 55.666 54.840 -0.178 0.000 0.895 740 L CB 0.881 42.847 42.059 -0.155 0.000 1.147 740 L HN 0.555 nan 8.230 nan 0.000 0.483 741 T N 4.060 118.497 114.554 -0.194 0.000 2.928 741 T HA 0.463 4.813 4.350 -0.000 0.000 0.296 741 T C -0.520 174.219 174.700 0.066 0.000 1.000 741 T CA -0.405 61.608 62.100 -0.144 0.000 0.989 741 T CB 1.038 69.770 68.868 -0.228 0.000 1.005 741 T HN 0.741 nan 8.240 nan 0.000 0.442 742 T N 2.623 117.235 114.554 0.098 0.000 2.907 742 T HA 0.748 5.098 4.350 -0.000 0.000 0.284 742 T C -0.170 174.601 174.700 0.117 0.000 1.004 742 T CA -0.655 61.582 62.100 0.229 0.000 1.063 742 T CB 1.448 70.461 68.868 0.240 0.000 0.992 742 T HN 0.610 nan 8.240 nan 0.000 0.483 743 S N 0.487 116.243 115.700 0.093 0.000 2.625 743 S HA 0.328 4.798 4.470 -0.000 0.000 0.271 743 S C 0.586 175.174 174.600 -0.021 0.000 1.161 743 S CA -0.760 57.454 58.200 0.023 0.000 0.820 743 S CB 1.543 64.751 63.200 0.012 0.000 1.137 743 S HN 0.633 nan 8.310 nan 0.000 0.470 744 E N 0.604 120.790 120.200 -0.023 0.000 2.153 744 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 744 E C 1.415 177.970 176.600 -0.075 0.000 0.988 744 E CA 1.174 57.551 56.400 -0.038 0.000 0.811 744 E CB -0.113 29.575 29.700 -0.020 0.000 0.746 744 E HN 0.571 nan 8.360 nan 0.000 0.466 745 M N 0.651 120.209 119.600 -0.070 0.000 2.357 745 M HA -0.003 4.477 4.480 -0.000 0.000 0.266 745 M C 0.371 176.588 176.300 -0.139 0.000 1.095 745 M CA 0.950 56.203 55.300 -0.078 0.000 1.156 745 M CB -0.323 32.258 32.600 -0.031 0.000 1.365 745 M HN 0.044 nan 8.290 nan 0.000 0.447 746 D N -1.798 118.500 120.400 -0.170 0.000 3.103 746 D HA 0.418 5.057 4.640 -0.000 0.000 0.337 746 D C -1.253 174.868 176.300 -0.298 0.000 1.356 746 D CA -0.622 53.227 54.000 -0.251 0.000 0.951 746 D CB 0.634 41.423 40.800 -0.019 0.000 1.438 746 D HN -0.169 nan 8.370 nan 0.000 0.562 747 F N -0.445 119.570 119.950 0.109 0.000 2.507 747 F HA 0.566 5.093 4.527 -0.000 0.000 0.325 747 F C -0.426 175.457 175.800 0.137 0.000 1.116 747 F CA -1.589 56.453 58.000 0.070 0.000 0.930 747 F CB 2.047 41.052 39.000 0.007 0.000 1.146 747 F HN 0.445 nan 8.300 nan 0.000 0.447 748 C N 5.300 124.765 119.300 0.275 0.000 2.319 748 C HA 0.770 5.230 4.460 -0.000 0.000 0.323 748 C C -0.770 174.312 174.990 0.152 0.000 1.277 748 C CA -0.523 58.621 59.018 0.209 0.000 1.517 748 C CB -0.244 27.545 27.740 0.082 0.000 2.206 748 C HN 0.464 nan 8.230 nan 0.000 0.486 749 I N 4.682 125.417 120.570 0.274 0.000 2.404 749 I HA 0.549 4.719 4.170 -0.000 0.000 0.293 749 I C 0.190 176.539 176.117 0.387 0.000 0.992 749 I CA -0.638 60.815 61.300 0.256 0.000 1.149 749 I CB 1.334 39.487 38.000 0.255 0.000 1.315 749 I HN 0.663 nan 8.210 nan 0.000 0.446 750 E N 4.974 125.335 120.200 0.269 0.000 2.336 750 E HA 0.738 5.088 4.350 -0.000 0.000 0.267 750 E C -1.262 175.512 176.600 0.290 0.000 0.906 750 E CA -0.907 55.640 56.400 0.244 0.000 0.781 750 E CB 3.121 32.883 29.700 0.104 0.000 1.261 750 E HN 0.397 nan 8.360 nan 0.000 0.436 751 L N 1.643 123.003 121.223 0.229 0.000 2.408 751 L HA 0.383 4.723 4.340 -0.000 0.000 0.260 751 L C -0.123 176.806 176.870 0.098 0.000 1.305 751 L CA 0.552 55.512 54.840 0.200 0.000 0.850 751 L CB 0.427 42.667 42.059 0.301 0.000 1.004 751 L HN 0.839 nan 8.230 nan 0.000 0.506 752 G N 2.485 111.317 108.800 0.053 0.000 2.848 752 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.246 752 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.246 752 G C 0.465 175.351 174.900 -0.024 0.000 1.374 752 G CA 0.314 45.423 45.100 0.014 0.000 0.982 752 G HN 0.829 nan 8.290 nan 0.000 0.563 753 N N 1.343 120.013 118.700 -0.050 0.000 2.325 753 N HA 0.104 4.844 4.740 -0.000 0.000 0.182 753 N C 0.382 175.815 175.510 -0.129 0.000 1.088 753 N CA 0.638 53.640 53.050 -0.079 0.000 0.879 753 N CB 0.260 38.707 38.487 -0.067 0.000 0.983 753 N HN 0.714 nan 8.380 nan 0.000 0.471 754 K N 1.057 121.348 120.400 -0.183 0.000 2.227 754 K HA 0.384 4.704 4.320 -0.000 0.000 0.280 754 K C -0.299 175.999 176.600 -0.502 0.000 1.041 754 K CA -0.352 55.690 56.287 -0.409 0.000 0.905 754 K CB 1.676 33.834 32.500 -0.571 0.000 1.068 754 K HN 0.022 nan 8.250 nan 0.000 0.470 755 R N 2.075 122.295 120.500 -0.467 0.000 2.686 755 R HA 0.414 4.754 4.340 -0.000 0.000 0.286 755 R C -1.002 175.228 176.300 -0.117 0.000 0.969 755 R CA -0.779 55.219 56.100 -0.170 0.000 0.898 755 R CB 1.883 32.141 30.300 -0.069 0.000 1.183 755 R HN 0.553 nan 8.270 nan 0.000 0.456 756 W N 2.657 124.096 121.300 0.231 0.000 2.702 756 W HA 0.329 4.989 4.660 -0.000 0.000 0.331 756 W C -0.288 176.388 176.519 0.263 0.000 1.049 756 W CA -0.575 56.876 57.345 0.176 0.000 1.230 756 W CB 2.072 31.606 29.460 0.122 0.000 1.408 756 W HN 0.395 nan 8.180 nan 0.000 0.492 757 Q N 2.589 122.606 119.800 0.362 0.000 2.340 757 Q HA 0.457 4.797 4.340 -0.000 0.000 0.268 757 Q C -2.036 174.022 176.000 0.097 0.000 1.031 757 Q CA -0.520 55.487 55.803 0.339 0.000 0.804 757 Q CB 1.612 30.602 28.738 0.421 0.000 1.286 757 Q HN 0.394 nan 8.270 nan 0.000 0.448 758 F N 3.249 123.282 119.950 0.139 0.000 2.366 758 F HA 0.272 4.799 4.527 -0.000 0.000 0.366 758 F C 0.470 176.265 175.800 -0.008 0.000 1.096 758 F CA -0.891 57.155 58.000 0.076 0.000 1.060 758 F CB 1.119 40.183 39.000 0.107 0.000 1.282 758 F HN 0.558 nan 8.300 nan 0.000 0.450 759 N N 2.976 121.752 118.700 0.127 0.000 2.357 759 N HA -0.020 4.720 4.740 -0.000 0.000 0.257 759 N C 1.104 176.598 175.510 -0.027 0.000 1.250 759 N CA 0.489 53.564 53.050 0.042 0.000 0.862 759 N CB 0.757 39.291 38.487 0.078 0.000 1.066 759 N HN 0.639 nan 8.380 nan 0.000 0.468 760 R N 2.540 122.949 120.500 -0.152 0.000 2.161 760 R HA -0.031 4.309 4.340 -0.000 0.000 0.213 760 R C 1.301 177.528 176.300 -0.122 0.000 1.055 760 R CA 0.933 56.894 56.100 -0.232 0.000 0.996 760 R CB 0.178 30.260 30.300 -0.364 0.000 0.901 760 R HN 0.608 nan 8.270 nan 0.000 0.456 761 Q N -0.085 119.674 119.800 -0.068 0.000 2.212 761 Q HA -0.017 4.323 4.340 -0.000 0.000 0.199 761 Q C 2.080 178.072 176.000 -0.013 0.000 0.950 761 Q CA 1.538 57.318 55.803 -0.038 0.000 0.863 761 Q CB 0.132 28.861 28.738 -0.014 0.000 0.944 761 Q HN 0.226 nan 8.270 nan 0.000 0.465 762 S N -0.892 114.832 115.700 0.040 0.000 2.421 762 S HA 0.187 4.656 4.470 -0.000 0.000 0.224 762 S C 1.749 176.308 174.600 -0.068 0.000 1.035 762 S CA 0.728 58.999 58.200 0.118 0.000 0.953 762 S CB -0.034 63.360 63.200 0.324 0.000 0.810 762 S HN 0.511 nan 8.310 nan 0.000 0.497 763 G N 0.076 108.835 108.800 -0.068 0.000 2.176 763 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.253 763 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.253 763 G C -0.096 174.750 174.900 -0.090 0.000 0.979 763 G CA 0.324 45.340 45.100 -0.139 0.000 0.641 763 G HN 0.504 nan 8.290 nan 0.000 0.530 764 F N -0.567 119.541 119.950 0.263 0.000 2.483 764 F HA 0.678 5.205 4.527 -0.000 0.000 0.329 764 F C 0.628 176.388 175.800 -0.067 0.000 1.064 764 F CA -1.399 56.713 58.000 0.187 0.000 0.986 764 F CB 1.265 40.343 39.000 0.130 0.000 1.218 764 F HN 0.011 nan 8.300 nan 0.000 0.484 765 L N 2.004 123.170 121.223 -0.096 0.000 2.699 765 L HA 0.095 4.434 4.340 -0.000 0.000 0.283 765 L C 0.795 177.534 176.870 -0.219 0.000 1.166 765 L CA 0.603 55.038 54.840 -0.675 0.000 1.043 765 L CB -0.599 41.058 42.059 -0.670 0.000 1.369 765 L HN 0.638 nan 8.230 nan 0.000 0.462 766 S N 2.426 118.037 115.700 -0.148 0.000 2.522 766 S HA 0.096 4.565 4.470 -0.000 0.000 0.227 766 S C 0.487 175.007 174.600 -0.133 0.000 0.986 766 S CA 0.408 58.573 58.200 -0.058 0.000 0.929 766 S CB -0.211 62.997 63.200 0.014 0.000 0.769 766 S HN 0.756 nan 8.310 nan 0.000 0.529 767 Q N -0.025 119.646 119.800 -0.216 0.000 2.721 767 Q HA 0.620 4.960 4.340 -0.000 0.000 0.282 767 Q C -1.611 174.061 176.000 -0.547 0.000 0.932 767 Q CA -0.538 55.022 55.803 -0.405 0.000 0.816 767 Q CB 1.156 29.603 28.738 -0.484 0.000 1.506 767 Q HN 0.270 nan 8.270 nan 0.000 0.399 768 M N 1.701 120.820 119.600 -0.801 0.000 2.470 768 M HA 0.754 5.234 4.480 -0.000 0.000 0.285 768 M C -2.024 173.790 176.300 -0.809 0.000 1.213 768 M CA -0.255 54.646 55.300 -0.665 0.000 0.901 768 M CB 1.824 34.143 32.600 -0.467 0.000 1.718 768 M HN 0.591 nan 8.290 nan 0.000 0.469 769 W N 4.695 125.786 121.300 -0.349 0.000 2.736 769 W HA 0.601 5.260 4.660 -0.000 0.000 0.335 769 W C -1.283 175.029 176.519 -0.344 0.000 1.059 769 W CA -0.766 56.409 57.345 -0.283 0.000 1.226 769 W CB 1.887 31.209 29.460 -0.231 0.000 1.416 769 W HN 0.592 nan 8.180 nan 0.000 0.505 770 I N 3.634 124.193 120.570 -0.017 0.000 2.595 770 I HA 0.418 4.588 4.170 -0.000 0.000 0.275 770 I C 0.740 176.841 176.117 -0.026 0.000 1.092 770 I CA -0.160 61.084 61.300 -0.093 0.000 1.145 770 I CB 0.613 38.520 38.000 -0.156 0.000 1.276 770 I HN 0.714 nan 8.210 nan 0.000 0.497 771 G N 5.459 114.248 108.800 -0.017 0.000 2.742 771 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.255 771 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.255 771 G C 0.378 175.294 174.900 0.027 0.000 1.322 771 G CA 0.450 45.541 45.100 -0.016 0.000 0.967 771 G HN 0.613 nan 8.290 nan 0.000 0.556 772 D N 1.079 121.509 120.400 0.050 0.000 2.389 772 D HA 0.173 4.813 4.640 -0.000 0.000 0.206 772 D C 0.876 177.297 176.300 0.202 0.000 1.055 772 D CA 0.402 54.452 54.000 0.084 0.000 0.856 772 D CB 0.190 41.007 40.800 0.028 0.000 0.957 772 D HN 0.491 nan 8.370 nan 0.000 0.509 773 K N 1.479 121.965 120.400 0.145 0.000 2.316 773 K HA 0.207 4.527 4.320 -0.000 0.000 0.289 773 K C -0.052 176.545 176.600 -0.005 0.000 1.070 773 K CA -0.263 56.064 56.287 0.067 0.000 0.928 773 K CB 1.113 33.611 32.500 -0.004 0.000 1.039 773 K HN 0.002 nan 8.250 nan 0.000 0.480 774 K N 2.733 123.055 120.400 -0.131 0.000 2.298 774 K HA 0.065 4.385 4.320 -0.000 0.000 0.280 774 K C 0.567 176.979 176.600 -0.313 0.000 1.032 774 K CA -0.577 55.424 56.287 -0.478 0.000 0.958 774 K CB 0.947 33.196 32.500 -0.419 0.000 0.978 774 K HN 0.389 nan 8.250 nan 0.000 0.472 775 Q N 1.296 120.883 119.800 -0.355 0.000 2.391 775 Q HA 0.144 4.483 4.340 -0.000 0.000 0.211 775 Q C 0.364 176.285 176.000 -0.131 0.000 0.908 775 Q CA 0.686 56.396 55.803 -0.156 0.000 0.920 775 Q CB 0.086 28.804 28.738 -0.033 0.000 1.056 775 Q HN 0.529 nan 8.270 nan 0.000 0.523 776 L N -0.422 120.674 121.223 -0.212 0.000 2.322 776 L HA 0.394 4.734 4.340 -0.000 0.000 0.269 776 L C 0.915 177.661 176.870 -0.205 0.000 1.012 776 L CA -0.406 54.326 54.840 -0.179 0.000 0.815 776 L CB 1.268 43.241 42.059 -0.143 0.000 1.295 776 L HN -0.160 nan 8.230 nan 0.000 0.438 777 L N -0.557 120.535 121.223 -0.219 0.000 2.781 777 L HA 0.334 4.674 4.340 -0.000 0.000 0.245 777 L C -0.118 176.639 176.870 -0.188 0.000 1.118 777 L CA 0.455 55.171 54.840 -0.206 0.000 0.918 777 L CB 1.002 42.920 42.059 -0.236 0.000 1.246 777 L HN 0.650 nan 8.230 nan 0.000 0.526 778 T N 0.071 114.502 114.554 -0.206 0.000 2.923 778 T HA 0.385 4.735 4.350 -0.000 0.000 0.311 778 T C -2.660 171.967 174.700 -0.120 0.000 1.183 778 T CA -0.922 61.093 62.100 -0.143 0.000 1.020 778 T CB 2.740 71.499 68.868 -0.180 0.000 1.165 778 T HN -0.269 nan 8.240 nan 0.000 0.482 779 P HA 0.301 nan 4.420 nan 0.000 0.274 779 P C -0.784 176.468 177.300 -0.081 0.000 1.260 779 P CA -0.701 62.355 63.100 -0.075 0.000 0.793 779 P CB 0.487 32.160 31.700 -0.044 0.000 1.048 780 L N 1.429 122.646 121.223 -0.011 0.000 2.270 780 L HA 0.342 4.682 4.340 -0.000 0.000 0.286 780 L C -0.035 176.823 176.870 -0.020 0.000 1.059 780 L CA 0.028 54.895 54.840 0.044 0.000 0.839 780 L CB -0.318 41.876 42.059 0.226 0.000 1.221 780 L HN 0.292 nan 8.230 nan 0.000 0.431 781 R N 1.936 122.324 120.500 -0.187 0.000 2.912 781 R HA 0.624 4.964 4.340 -0.000 0.000 0.262 781 R C -0.988 175.239 176.300 -0.122 0.000 1.057 781 R CA -1.006 54.912 56.100 -0.304 0.000 0.981 781 R CB 0.547 30.340 30.300 -0.844 0.000 1.201 781 R HN 0.410 nan 8.270 nan 0.000 0.484 782 D N 0.854 121.238 120.400 -0.028 0.000 2.414 782 D HA 0.050 4.690 4.640 -0.000 0.000 0.242 782 D C -0.591 175.336 176.300 -0.621 0.000 1.129 782 D CA 0.363 54.171 54.000 -0.321 0.000 0.885 782 D CB 0.637 41.252 40.800 -0.309 0.000 1.198 782 D HN 0.245 nan 8.370 nan 0.000 0.437 783 Q N 1.151 120.408 119.800 -0.904 0.000 2.375 783 Q HA 0.424 4.764 4.340 -0.000 0.000 0.271 783 Q C -1.042 174.235 176.000 -1.206 0.000 1.074 783 Q CA -0.664 54.664 55.803 -0.793 0.000 0.808 783 Q CB 1.034 29.505 28.738 -0.445 0.000 1.327 783 Q HN 0.523 nan 8.270 nan 0.000 0.441 784 F N -0.176 119.439 119.950 -0.558 0.000 2.838 784 F HA 0.165 4.692 4.527 -0.000 0.000 0.329 784 F C 0.420 175.823 175.800 -0.662 0.000 1.116 784 F CA -0.224 57.337 58.000 -0.732 0.000 1.155 784 F CB 1.286 39.583 39.000 -1.171 0.000 1.106 784 F HN 0.405 nan 8.300 nan 0.000 0.538 785 T N -0.845 113.444 114.554 -0.442 0.000 2.910 785 T HA 0.815 5.165 4.350 -0.000 0.000 0.287 785 T C -0.569 173.903 174.700 -0.379 0.000 1.050 785 T CA -0.935 60.846 62.100 -0.530 0.000 1.011 785 T CB 2.881 71.416 68.868 -0.555 0.000 1.195 785 T HN 0.259 nan 8.240 nan 0.000 0.540 786 R N -0.586 119.745 120.500 -0.282 0.000 2.707 786 R HA 0.713 5.053 4.340 -0.000 0.000 0.272 786 R C -1.165 175.186 176.300 0.086 0.000 1.011 786 R CA -1.085 54.955 56.100 -0.100 0.000 0.893 786 R CB 1.442 31.663 30.300 -0.131 0.000 1.233 786 R HN 0.845 nan 8.270 nan 0.000 0.464 787 A N 4.254 127.104 122.820 0.050 0.000 2.655 787 A HA 0.269 4.589 4.320 -0.000 0.000 0.297 787 A C -1.922 175.707 177.584 0.075 0.000 1.461 787 A CA -1.411 50.650 52.037 0.039 0.000 1.146 787 A CB -0.665 18.312 19.000 -0.039 0.000 1.108 787 A HN 0.599 nan 8.150 nan 0.000 0.550 788 P HA -0.106 nan 4.420 nan 0.000 0.260 788 P C -0.104 177.283 177.300 0.146 0.000 1.147 788 P CA 0.834 64.075 63.100 0.235 0.000 0.758 788 P CB 0.193 32.055 31.700 0.270 0.000 0.744 789 L N 2.774 124.059 121.223 0.103 0.000 2.466 789 L HA 0.125 4.465 4.340 -0.000 0.000 0.257 789 L C 1.927 178.790 176.870 -0.011 0.000 1.189 789 L CA -0.410 54.426 54.840 -0.006 0.000 0.813 789 L CB -0.084 41.913 42.059 -0.104 0.000 1.118 789 L HN 0.301 nan 8.230 nan 0.000 0.471 790 D N 0.604 120.935 120.400 -0.115 0.000 2.116 790 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 790 D C 1.649 177.839 176.300 -0.184 0.000 0.998 790 D CA 1.540 55.393 54.000 -0.244 0.000 0.836 790 D CB 0.005 40.566 40.800 -0.397 0.000 0.951 790 D HN 0.496 nan 8.370 nan 0.000 0.449 791 N N 1.118 119.726 118.700 -0.154 0.000 2.289 791 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 791 N C 1.211 176.704 175.510 -0.028 0.000 1.016 791 N CA 0.718 53.703 53.050 -0.108 0.000 0.872 791 N CB -0.262 38.163 38.487 -0.102 0.000 0.973 791 N HN 0.255 nan 8.380 nan 0.000 0.433 792 D N 0.410 120.816 120.400 0.009 0.000 2.144 792 D HA 0.006 4.646 4.640 -0.000 0.000 0.200 792 D C 1.964 178.295 176.300 0.051 0.000 0.978 792 D CA 0.551 54.602 54.000 0.085 0.000 0.833 792 D CB 0.024 40.938 40.800 0.189 0.000 0.961 792 D HN 0.334 nan 8.370 nan 0.000 0.470 793 I N -0.108 120.474 120.570 0.020 0.000 2.584 793 I HA 0.075 4.245 4.170 -0.000 0.000 0.255 793 I C 1.818 177.939 176.117 0.006 0.000 1.145 793 I CA 0.530 61.837 61.300 0.011 0.000 1.462 793 I CB -0.295 37.699 38.000 -0.010 0.000 1.102 793 I HN 0.055 nan 8.210 nan 0.000 0.433 794 G N 1.556 110.359 108.800 0.005 0.000 2.556 794 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.283 794 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.283 794 G C 0.541 175.585 174.900 0.241 0.000 1.177 794 G CA 0.654 45.810 45.100 0.093 0.000 0.978 794 G HN 0.600 nan 8.290 nan 0.000 0.554 795 V N -2.366 117.658 119.914 0.183 0.000 3.006 795 V HA 0.714 4.834 4.120 -0.000 0.000 0.357 795 V C 0.808 176.936 176.094 0.057 0.000 1.377 795 V CA 0.956 63.352 62.300 0.159 0.000 1.198 795 V CB 0.300 32.107 31.823 -0.027 0.000 1.216 795 V HN 1.379 nan 8.190 nan 0.000 0.520 796 S N 1.326 117.051 115.700 0.043 0.000 2.548 796 S HA 0.457 4.927 4.470 -0.000 0.000 0.277 796 S C -0.125 174.490 174.600 0.024 0.000 1.315 796 S CA -0.039 58.169 58.200 0.013 0.000 1.050 796 S CB 0.553 63.753 63.200 -0.000 0.000 0.918 796 S HN 0.803 nan 8.310 nan 0.000 0.497 797 E N 1.836 122.045 120.200 0.015 0.000 2.336 797 E HA 0.570 4.920 4.350 -0.000 0.000 0.267 797 E C 0.859 177.472 176.600 0.021 0.000 0.906 797 E CA -0.626 55.789 56.400 0.024 0.000 0.781 797 E CB 1.423 31.137 29.700 0.023 0.000 1.261 797 E HN 0.619 nan 8.360 nan 0.000 0.436 798 A N 1.080 123.918 122.820 0.031 0.000 1.915 798 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 798 A C 1.910 179.506 177.584 0.020 0.000 1.198 798 A CA 2.845 54.899 52.037 0.028 0.000 0.647 798 A CB -1.190 17.832 19.000 0.036 0.000 0.825 798 A HN 0.710 nan 8.150 nan 0.000 0.456 799 T N -0.689 113.876 114.554 0.018 0.000 2.623 799 T HA -0.006 4.343 4.350 -0.000 0.000 0.254 799 T C 1.099 175.799 174.700 0.000 0.000 1.075 799 T CA 0.979 63.085 62.100 0.010 0.000 1.177 799 T CB -0.206 68.669 68.868 0.011 0.000 0.869 799 T HN 0.391 nan 8.240 nan 0.000 0.403 800 R N 1.180 121.676 120.500 -0.006 0.000 2.248 800 R HA 0.448 4.788 4.340 -0.000 0.000 0.337 800 R C -0.893 175.397 176.300 -0.016 0.000 1.085 800 R CA -0.121 55.968 56.100 -0.019 0.000 0.934 800 R CB -0.094 30.185 30.300 -0.034 0.000 1.034 800 R HN 0.404 nan 8.270 nan 0.000 0.465 801 I N 2.225 122.785 120.570 -0.017 0.000 2.315 801 I HA 0.041 4.211 4.170 -0.000 0.000 0.291 801 I C -0.018 176.080 176.117 -0.032 0.000 1.006 801 I CA -0.361 60.929 61.300 -0.017 0.000 1.265 801 I CB 1.369 39.364 38.000 -0.008 0.000 1.387 801 I HN 0.439 nan 8.210 nan 0.000 0.475 802 D N 9.670 130.048 120.400 -0.037 0.000 2.468 802 D HA 0.197 4.837 4.640 -0.000 0.000 0.218 802 D C -1.613 174.642 176.300 -0.074 0.000 1.155 802 D CA -2.400 51.567 54.000 -0.055 0.000 0.924 802 D CB 0.962 41.730 40.800 -0.053 0.000 1.029 802 D HN 0.196 nan 8.370 nan 0.000 0.515 803 P HA -0.100 nan 4.420 nan 0.000 0.238 803 P C 0.244 177.457 177.300 -0.145 0.000 1.175 803 P CA 0.642 63.686 63.100 -0.093 0.000 0.757 803 P CB 0.270 31.924 31.700 -0.078 0.000 0.839 804 N N -0.982 117.620 118.700 -0.164 0.000 2.273 804 N HA 0.094 4.834 4.740 -0.000 0.000 0.192 804 N C 0.661 175.974 175.510 -0.328 0.000 1.132 804 N CA -0.068 52.834 53.050 -0.248 0.000 0.887 804 N CB 0.487 38.844 38.487 -0.216 0.000 1.048 804 N HN 0.074 nan 8.380 nan 0.000 0.490 805 A N 0.360 123.044 122.820 -0.227 0.000 2.462 805 A HA 0.050 4.370 4.320 -0.000 0.000 0.243 805 A C 0.721 178.117 177.584 -0.313 0.000 1.076 805 A CA -0.273 51.630 52.037 -0.224 0.000 0.773 805 A CB 0.007 18.947 19.000 -0.100 0.000 1.010 805 A HN 0.332 nan 8.150 nan 0.000 0.493 806 W N 1.822 122.836 121.300 -0.477 0.000 2.321 806 W HA -0.201 4.459 4.660 -0.000 0.000 0.306 806 W C 2.195 178.109 176.519 -1.008 0.000 1.217 806 W CA 1.593 58.352 57.345 -0.975 0.000 1.257 806 W CB -0.376 28.286 29.460 -1.330 0.000 1.145 806 W HN 0.566 nan 8.180 nan 0.000 0.509 807 V N 0.884 120.677 119.914 -0.202 0.000 2.278 807 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 807 V C 2.285 178.451 176.094 0.120 0.000 1.062 807 V CA 2.258 64.651 62.300 0.155 0.000 1.038 807 V CB -0.434 31.506 31.823 0.195 0.000 0.646 807 V HN 0.099 nan 8.190 nan 0.000 0.447 808 E N -0.314 119.877 120.200 -0.015 0.000 2.110 808 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 808 E C 2.367 178.951 176.600 -0.026 0.000 0.988 808 E CA 1.041 57.436 56.400 -0.008 0.000 0.804 808 E CB -0.379 29.294 29.700 -0.044 0.000 0.745 808 E HN 0.581 nan 8.360 nan 0.000 0.458 809 R N -0.385 120.029 120.500 -0.145 0.000 2.115 809 R HA -0.115 4.225 4.340 -0.000 0.000 0.230 809 R C 2.176 178.454 176.300 -0.036 0.000 1.111 809 R CA 0.904 56.909 56.100 -0.158 0.000 0.976 809 R CB -0.161 29.938 30.300 -0.335 0.000 0.870 809 R HN 0.278 nan 8.270 nan 0.000 0.445 810 W N 1.635 122.928 121.300 -0.013 0.000 2.408 810 W HA -0.028 4.632 4.660 -0.000 0.000 0.311 810 W C 2.057 178.590 176.519 0.024 0.000 1.190 810 W CA 0.481 57.737 57.345 -0.149 0.000 1.321 810 W CB -0.737 28.698 29.460 -0.042 0.000 1.143 810 W HN 0.052 nan 8.180 nan 0.000 0.501 811 K N 0.259 120.909 120.400 0.415 0.000 1.991 811 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 811 K C 2.222 178.910 176.600 0.145 0.000 1.049 811 K CA 1.958 58.436 56.287 0.318 0.000 0.932 811 K CB -0.827 31.791 32.500 0.198 0.000 0.717 811 K HN -0.002 nan 8.250 nan 0.000 0.441 812 A N 1.550 124.431 122.820 0.101 0.000 1.940 812 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 812 A C 2.347 179.964 177.584 0.055 0.000 1.176 812 A CA 1.928 54.005 52.037 0.066 0.000 0.631 812 A CB -0.679 18.346 19.000 0.043 0.000 0.814 812 A HN 0.387 nan 8.150 nan 0.000 0.446 813 A N -2.010 120.846 122.820 0.060 0.000 2.121 813 A HA 0.331 4.650 4.320 -0.000 0.000 0.218 813 A C 2.043 179.619 177.584 -0.012 0.000 1.154 813 A CA 1.533 53.627 52.037 0.094 0.000 0.679 813 A CB -0.917 18.170 19.000 0.146 0.000 0.795 813 A HN 1.959 nan 8.150 nan 0.000 0.458 814 G N -2.274 106.424 108.800 -0.171 0.000 2.157 814 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.239 814 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.239 814 G C 0.667 175.527 174.900 -0.066 0.000 0.982 814 G CA 0.647 45.405 45.100 -0.570 0.000 0.650 814 G HN 0.711 nan 8.290 nan 0.000 0.527 815 H N -1.219 117.813 119.070 -0.063 0.000 2.431 815 H HA -0.192 4.364 4.556 -0.000 0.000 0.297 815 H C 2.180 177.461 175.328 -0.078 0.000 1.115 815 H CA 1.953 57.970 56.048 -0.052 0.000 1.277 815 H CB 0.066 29.742 29.762 -0.144 0.000 1.372 815 H HN 0.640 nan 8.280 nan 0.000 0.516 816 Y N 0.522 120.934 120.300 0.186 0.000 2.420 816 Y HA -0.076 4.474 4.550 -0.000 0.000 0.292 816 Y C 1.884 177.858 175.900 0.123 0.000 1.119 816 Y CA 0.672 58.850 58.100 0.130 0.000 1.229 816 Y CB 0.341 38.863 38.460 0.103 0.000 1.026 816 Y HN 0.305 nan 8.280 nan 0.000 0.554 817 Q N -0.186 119.755 119.800 0.236 0.000 2.172 817 Q HA 0.472 4.812 4.340 -0.000 0.000 0.217 817 Q C 0.365 176.523 176.000 0.263 0.000 0.832 817 Q CA -0.159 55.781 55.803 0.227 0.000 1.010 817 Q CB 0.554 29.417 28.738 0.207 0.000 1.133 817 Q HN 0.154 nan 8.270 nan 0.000 0.489 818 A N 1.684 124.667 122.820 0.271 0.000 2.483 818 A HA 0.097 4.416 4.320 -0.000 0.000 0.238 818 A C 0.064 177.884 177.584 0.394 0.000 1.070 818 A CA -0.041 52.201 52.037 0.343 0.000 0.770 818 A CB 0.301 19.501 19.000 0.334 0.000 1.008 818 A HN 0.189 nan 8.150 nan 0.000 0.497 819 E N 1.157 121.527 120.200 0.284 0.000 2.081 819 E HA 0.404 4.754 4.350 -0.000 0.000 0.281 819 E C -0.008 176.564 176.600 -0.046 0.000 0.986 819 E CA -0.100 56.392 56.400 0.152 0.000 0.796 819 E CB 1.415 31.172 29.700 0.096 0.000 1.085 819 E HN 0.687 nan 8.360 nan 0.000 0.398 820 A N 2.780 125.471 122.820 -0.216 0.000 2.454 820 A HA 0.499 4.819 4.320 -0.000 0.000 0.260 820 A C 0.009 177.396 177.584 -0.329 0.000 1.106 820 A CA -0.105 51.453 52.037 -0.799 0.000 0.780 820 A CB 0.343 19.009 19.000 -0.557 0.000 1.044 820 A HN 0.574 nan 8.150 nan 0.000 0.498 821 A N 2.532 125.153 122.820 -0.332 0.000 2.355 821 A HA 0.615 4.935 4.320 -0.000 0.000 0.317 821 A C -0.624 176.846 177.584 -0.190 0.000 1.094 821 A CA -0.576 51.365 52.037 -0.159 0.000 0.764 821 A CB 0.844 19.779 19.000 -0.109 0.000 1.230 821 A HN 1.320 nan 8.150 nan 0.000 0.448 822 L N 2.958 124.040 121.223 -0.236 0.000 2.319 822 L HA 0.370 4.710 4.340 -0.000 0.000 0.280 822 L C 0.361 177.080 176.870 -0.251 0.000 1.099 822 L CA 0.132 54.711 54.840 -0.436 0.000 0.828 822 L CB 0.448 42.258 42.059 -0.415 0.000 1.150 822 L HN 0.776 nan 8.230 nan 0.000 0.442 823 L N 3.360 124.442 121.223 -0.235 0.000 2.470 823 L HA 0.287 4.627 4.340 -0.000 0.000 0.219 823 L C 0.127 176.939 176.870 -0.097 0.000 1.071 823 L CA 0.164 54.934 54.840 -0.116 0.000 0.850 823 L CB 0.142 42.167 42.059 -0.057 0.000 1.040 823 L HN 0.815 nan 8.230 nan 0.000 0.475 824 Q N -0.377 119.343 119.800 -0.133 0.000 2.593 824 Q HA 0.181 4.520 4.340 -0.000 0.000 0.242 824 Q C -1.937 174.019 176.000 -0.072 0.000 0.944 824 Q CA -0.405 55.352 55.803 -0.076 0.000 1.041 824 Q CB 1.688 30.404 28.738 -0.037 0.000 1.588 824 Q HN 0.063 nan 8.270 nan 0.000 0.464 825 C N 2.981 122.265 119.300 -0.027 0.000 2.561 825 C HA 1.022 5.482 4.460 -0.000 0.000 0.319 825 C C -0.751 174.285 174.990 0.077 0.000 1.198 825 C CA 0.621 59.664 59.018 0.041 0.000 1.665 825 C CB 1.449 29.232 27.740 0.071 0.000 2.258 825 C HN 0.912 nan 8.230 nan 0.000 0.493 826 T N 1.977 116.565 114.554 0.056 0.000 2.957 826 T HA 0.745 5.095 4.350 -0.000 0.000 0.336 826 T C -1.143 173.449 174.700 -0.178 0.000 1.462 826 T CA -0.122 61.961 62.100 -0.028 0.000 1.073 826 T CB 1.189 70.034 68.868 -0.038 0.000 1.319 826 T HN 1.883 nan 8.240 nan 0.000 0.485 827 A N 2.398 125.003 122.820 -0.357 0.000 2.381 827 A HA 0.811 5.131 4.320 -0.000 0.000 0.299 827 A C -1.399 175.967 177.584 -0.363 0.000 1.049 827 A CA -0.694 51.026 52.037 -0.528 0.000 0.715 827 A CB 1.320 19.626 19.000 -1.158 0.000 1.222 827 A HN 0.899 nan 8.150 nan 0.000 0.428 828 D N 0.406 120.652 120.400 -0.258 0.000 2.732 828 D HA 0.606 5.246 4.640 -0.000 0.000 0.229 828 D C -0.749 175.467 176.300 -0.140 0.000 1.152 828 D CA -0.106 53.791 54.000 -0.172 0.000 0.854 828 D CB 1.991 42.722 40.800 -0.115 0.000 1.590 828 D HN 0.350 nan 8.370 nan 0.000 0.468 829 T N 1.695 116.188 114.554 -0.102 0.000 2.795 829 T HA 0.611 4.961 4.350 -0.000 0.000 0.282 829 T C -0.593 174.077 174.700 -0.049 0.000 0.980 829 T CA -0.474 61.585 62.100 -0.068 0.000 1.012 829 T CB 0.560 69.405 68.868 -0.039 0.000 0.936 829 T HN 0.070 nan 8.240 nan 0.000 0.457 830 L N 1.210 122.408 121.223 -0.041 0.000 2.235 830 L HA 0.704 5.043 4.340 -0.000 0.000 0.260 830 L C 1.654 178.512 176.870 -0.019 0.000 1.025 830 L CA -0.740 54.082 54.840 -0.029 0.000 0.836 830 L CB 0.128 42.169 42.059 -0.030 0.000 1.395 830 L HN 0.660 nan 8.230 nan 0.000 0.443 831 A N -0.110 122.702 122.820 -0.013 0.000 1.865 831 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 831 A C 1.312 178.893 177.584 -0.005 0.000 1.191 831 A CA 2.319 54.352 52.037 -0.007 0.000 0.623 831 A CB -0.903 18.095 19.000 -0.004 0.000 0.826 831 A HN 0.898 nan 8.150 nan 0.000 0.444 832 D N -1.381 119.015 120.400 -0.007 0.000 2.354 832 D HA 0.508 5.148 4.640 -0.000 0.000 0.209 832 D C 0.512 176.805 176.300 -0.012 0.000 1.015 832 D CA 0.827 54.824 54.000 -0.005 0.000 0.867 832 D CB 0.268 41.066 40.800 -0.003 0.000 0.933 832 D HN 0.588 nan 8.370 nan 0.000 0.520 833 A N -0.625 122.182 122.820 -0.022 0.000 2.511 833 A HA 0.576 4.896 4.320 -0.000 0.000 0.293 833 A C -1.827 175.724 177.584 -0.055 0.000 1.098 833 A CA -0.789 51.225 52.037 -0.037 0.000 0.643 833 A CB 0.816 19.791 19.000 -0.041 0.000 1.302 833 A HN -0.059 nan 8.150 nan 0.000 0.446 834 V N 0.833 120.696 119.914 -0.085 0.000 2.417 834 V HA 0.550 4.669 4.120 -0.000 0.000 0.291 834 V C -0.949 175.063 176.094 -0.136 0.000 1.024 834 V CA -0.422 61.808 62.300 -0.117 0.000 0.861 834 V CB 1.230 32.969 31.823 -0.140 0.000 0.985 834 V HN 0.752 nan 8.190 nan 0.000 0.436 835 L N 6.909 128.053 121.223 -0.132 0.000 2.287 835 L HA 0.669 5.008 4.340 -0.000 0.000 0.287 835 L C -0.638 176.130 176.870 -0.170 0.000 1.022 835 L CA 0.089 54.861 54.840 -0.114 0.000 0.814 835 L CB 1.148 43.160 42.059 -0.079 0.000 1.217 835 L HN 0.429 nan 8.230 nan 0.000 0.420 836 I N 3.708 124.187 120.570 -0.152 0.000 2.648 836 I HA 0.654 4.824 4.170 -0.000 0.000 0.304 836 I C 0.198 176.317 176.117 0.004 0.000 1.009 836 I CA -0.400 60.771 61.300 -0.215 0.000 1.114 836 I CB 2.108 39.766 38.000 -0.569 0.000 1.293 836 I HN 0.509 nan 8.210 nan 0.000 0.449 837 T N 2.931 117.494 114.554 0.015 0.000 2.971 837 T HA 0.703 5.053 4.350 -0.000 0.000 0.304 837 T C -0.631 174.133 174.700 0.107 0.000 1.038 837 T CA -0.565 61.586 62.100 0.084 0.000 1.007 837 T CB 1.395 70.279 68.868 0.028 0.000 1.055 837 T HN 0.853 nan 8.240 nan 0.000 0.451 838 T N -0.132 114.517 114.554 0.158 0.000 2.865 838 T HA 0.919 5.269 4.350 -0.000 0.000 0.294 838 T C -1.306 173.464 174.700 0.118 0.000 1.119 838 T CA -0.971 61.203 62.100 0.125 0.000 1.007 838 T CB 2.016 71.016 68.868 0.220 0.000 1.225 838 T HN 0.867 nan 8.240 nan 0.000 0.515 839 A N 1.316 124.157 122.820 0.035 0.000 2.465 839 A HA 0.748 5.068 4.320 -0.000 0.000 0.292 839 A C -1.466 176.092 177.584 -0.043 0.000 1.041 839 A CA -0.736 51.349 52.037 0.080 0.000 0.718 839 A CB 0.777 19.800 19.000 0.039 0.000 1.266 839 A HN 0.992 nan 8.150 nan 0.000 0.403 840 H N 0.078 119.191 119.070 0.071 0.000 2.894 840 H HA 0.873 5.429 4.556 -0.000 0.000 0.368 840 H C -0.024 175.324 175.328 0.034 0.000 1.181 840 H CA 0.211 56.219 56.048 -0.067 0.000 1.146 840 H CB 2.131 31.719 29.762 -0.289 0.000 1.839 840 H HN 1.067 nan 8.280 nan 0.000 0.557 841 A N 0.920 123.759 122.820 0.031 0.000 2.449 841 A HA 0.512 4.832 4.320 -0.000 0.000 0.302 841 A C -1.606 175.964 177.584 -0.023 0.000 1.048 841 A CA -0.731 51.390 52.037 0.139 0.000 0.708 841 A CB 1.439 20.495 19.000 0.092 0.000 1.274 841 A HN 0.542 nan 8.150 nan 0.000 0.410 842 W N 1.568 122.926 121.300 0.096 0.000 2.529 842 W HA 0.496 5.156 4.660 -0.000 0.000 0.321 842 W C -0.544 175.926 176.519 -0.082 0.000 1.047 842 W CA -0.283 57.089 57.345 0.044 0.000 1.216 842 W CB 1.888 31.392 29.460 0.073 0.000 1.357 842 W HN 0.760 nan 8.180 nan 0.000 0.489 843 Q N 2.211 122.110 119.800 0.165 0.000 2.389 843 Q HA 0.357 4.697 4.340 -0.000 0.000 0.277 843 Q C -1.109 174.985 176.000 0.156 0.000 1.082 843 Q CA -0.889 54.968 55.803 0.089 0.000 0.810 843 Q CB 3.587 32.350 28.738 0.043 0.000 1.374 843 Q HN 0.441 nan 8.270 nan 0.000 0.422 844 H N 2.372 121.449 119.070 0.011 0.000 2.906 844 H HA 0.099 4.654 4.556 -0.000 0.000 0.324 844 H C -0.783 174.564 175.328 0.031 0.000 0.973 844 H CA -0.115 55.955 56.048 0.037 0.000 1.321 844 H CB 0.964 30.756 29.762 0.049 0.000 1.535 844 H HN 0.780 nan 8.280 nan 0.000 0.518 845 Q N 3.410 122.926 119.800 -0.474 0.000 2.453 845 Q HA -0.232 4.108 4.340 -0.000 0.000 0.330 845 Q C 0.926 176.850 176.000 -0.128 0.000 1.417 845 Q CA 0.941 56.552 55.803 -0.319 0.000 0.902 845 Q CB -1.548 26.973 28.738 -0.361 0.000 1.154 845 Q HN 1.197 nan 8.270 nan 0.000 0.395 846 G N 0.031 108.786 108.800 -0.075 0.000 2.267 846 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.257 846 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.257 846 G C 0.105 174.997 174.900 -0.013 0.000 0.998 846 G CA 0.758 45.838 45.100 -0.033 0.000 0.620 846 G HN 0.477 nan 8.290 nan 0.000 0.529 847 K N 1.345 121.740 120.400 -0.007 0.000 2.185 847 K HA 0.613 4.933 4.320 -0.000 0.000 0.269 847 K C -0.137 176.462 176.600 -0.001 0.000 0.987 847 K CA -0.170 56.121 56.287 0.007 0.000 0.865 847 K CB 0.946 33.460 32.500 0.023 0.000 1.090 847 K HN 0.037 nan 8.250 nan 0.000 0.450 848 T N 5.451 119.998 114.554 -0.012 0.000 2.780 848 T HA 0.217 4.567 4.350 -0.000 0.000 0.294 848 T C 1.025 175.653 174.700 -0.120 0.000 0.949 848 T CA -0.526 61.557 62.100 -0.029 0.000 1.074 848 T CB 0.684 69.559 68.868 0.012 0.000 0.910 848 T HN 0.576 nan 8.240 nan 0.000 0.501 849 L N 1.238 122.263 121.223 -0.330 0.000 2.349 849 L HA 0.429 4.769 4.340 -0.000 0.000 0.200 849 L C -0.237 176.232 176.870 -0.668 0.000 1.064 849 L CA 0.312 54.727 54.840 -0.708 0.000 0.821 849 L CB 0.030 41.221 42.059 -1.447 0.000 1.027 849 L HN 0.453 nan 8.230 nan 0.000 0.476 850 F N -0.435 119.443 119.950 -0.120 0.000 2.588 850 F HA 0.624 5.150 4.527 -0.000 0.000 0.314 850 F C -0.444 175.450 175.800 0.157 0.000 1.069 850 F CA -1.387 56.507 58.000 -0.176 0.000 0.931 850 F CB 1.418 39.923 39.000 -0.825 0.000 1.260 850 F HN -0.301 nan 8.300 nan 0.000 0.465 851 I N 1.520 122.313 120.570 0.372 0.000 2.439 851 I HA 0.298 4.467 4.170 -0.000 0.000 0.285 851 I C -0.671 175.706 176.117 0.432 0.000 1.021 851 I CA -0.468 61.067 61.300 0.390 0.000 1.091 851 I CB 1.983 40.126 38.000 0.239 0.000 1.242 851 I HN 0.552 nan 8.210 nan 0.000 0.439 852 S N 6.824 122.889 115.700 0.609 0.000 2.438 852 S HA 0.519 4.988 4.470 -0.000 0.000 0.316 852 S C -0.437 174.395 174.600 0.386 0.000 1.084 852 S CA -0.613 57.905 58.200 0.531 0.000 1.107 852 S CB 0.372 64.008 63.200 0.727 0.000 0.981 852 S HN 0.512 nan 8.310 nan 0.000 0.466 853 R N 3.843 124.494 120.500 0.251 0.000 2.288 853 R HA 0.472 4.812 4.340 -0.000 0.000 0.326 853 R C -0.605 175.757 176.300 0.104 0.000 0.959 853 R CA -0.583 55.622 56.100 0.176 0.000 0.834 853 R CB 1.427 31.807 30.300 0.134 0.000 1.157 853 R HN 0.533 nan 8.270 nan 0.000 0.470 854 K N 0.819 121.277 120.400 0.097 0.000 2.400 854 K HA 0.538 4.857 4.320 -0.000 0.000 0.246 854 K C -0.662 175.926 176.600 -0.019 0.000 0.995 854 K CA -1.038 55.229 56.287 -0.033 0.000 0.840 854 K CB 2.351 34.769 32.500 -0.136 0.000 1.293 854 K HN 0.499 nan 8.250 nan 0.000 0.445 855 T N -1.059 113.414 114.554 -0.135 0.000 3.011 855 T HA 0.451 4.801 4.350 -0.000 0.000 0.303 855 T C -1.275 173.350 174.700 -0.125 0.000 0.997 855 T CA -0.742 61.333 62.100 -0.041 0.000 1.007 855 T CB 0.172 69.035 68.868 -0.008 0.000 1.017 855 T HN 0.388 nan 8.240 nan 0.000 0.443 856 Y N 1.846 122.155 120.300 0.016 0.000 2.387 856 Y HA 0.734 5.284 4.550 -0.000 0.000 0.330 856 Y C 0.846 176.710 175.900 -0.059 0.000 1.133 856 Y CA -1.314 56.798 58.100 0.021 0.000 1.152 856 Y CB 1.419 39.937 38.460 0.095 0.000 1.215 856 Y HN 0.743 nan 8.280 nan 0.000 0.466 857 R N 3.759 124.315 120.500 0.093 0.000 2.539 857 R HA 0.526 4.866 4.340 -0.000 0.000 0.295 857 R C -2.167 174.094 176.300 -0.064 0.000 1.138 857 R CA -0.352 55.744 56.100 -0.007 0.000 0.936 857 R CB 0.496 30.794 30.300 -0.004 0.000 1.182 857 R HN 0.848 nan 8.270 nan 0.000 0.459 858 I N 4.545 125.017 120.570 -0.164 0.000 2.359 858 I HA 0.286 4.456 4.170 -0.000 0.000 0.294 858 I C 0.038 176.059 176.117 -0.159 0.000 0.987 858 I CA -0.639 60.502 61.300 -0.265 0.000 1.225 858 I CB 1.480 39.117 38.000 -0.606 0.000 1.366 858 I HN 0.660 nan 8.210 nan 0.000 0.466 859 D N 3.957 124.296 120.400 -0.102 0.000 2.650 859 D HA 0.290 4.930 4.640 -0.000 0.000 0.255 859 D C 1.163 177.454 176.300 -0.014 0.000 1.135 859 D CA -0.667 53.305 54.000 -0.047 0.000 1.099 859 D CB 0.476 41.262 40.800 -0.023 0.000 1.273 859 D HN 0.476 nan 8.370 nan 0.000 0.628 860 G N -0.810 107.989 108.800 -0.003 0.000 2.432 860 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 860 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 860 G C 1.308 176.217 174.900 0.015 0.000 1.135 860 G CA 1.425 46.530 45.100 0.009 0.000 0.767 860 G HN 0.552 nan 8.290 nan 0.000 0.550 861 S N -0.402 115.303 115.700 0.009 0.000 2.481 861 S HA 0.284 4.754 4.470 -0.000 0.000 0.231 861 S C 1.906 176.542 174.600 0.060 0.000 0.996 861 S CA 1.073 59.284 58.200 0.018 0.000 0.942 861 S CB -0.219 62.989 63.200 0.013 0.000 0.768 861 S HN 1.576 nan 8.310 nan 0.000 0.520 862 G N 0.574 109.428 108.800 0.090 0.000 2.132 862 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.234 862 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.234 862 G C -0.299 174.712 174.900 0.185 0.000 0.989 862 G CA -0.139 45.081 45.100 0.200 0.000 0.676 862 G HN 0.576 nan 8.290 nan 0.000 0.522 863 Q N -0.109 119.743 119.800 0.086 0.000 2.331 863 Q HA 0.555 4.895 4.340 -0.000 0.000 0.257 863 Q C 0.418 176.439 176.000 0.036 0.000 0.957 863 Q CA -0.365 55.490 55.803 0.086 0.000 0.923 863 Q CB 1.376 30.160 28.738 0.076 0.000 1.212 863 Q HN 0.533 nan 8.270 nan 0.000 0.443 864 M N 2.183 121.819 119.600 0.059 0.000 2.180 864 M HA 0.448 4.927 4.480 -0.000 0.000 0.358 864 M C -1.028 175.361 176.300 0.147 0.000 1.233 864 M CA -0.221 55.095 55.300 0.027 0.000 1.114 864 M CB 0.683 33.290 32.600 0.012 0.000 1.594 864 M HN 0.634 nan 8.290 nan 0.000 0.467 865 A N 7.691 130.575 122.820 0.108 0.000 2.256 865 A HA 0.605 4.925 4.320 -0.000 0.000 0.317 865 A C -0.609 177.022 177.584 0.078 0.000 1.318 865 A CA -0.810 51.293 52.037 0.110 0.000 0.894 865 A CB 0.174 19.218 19.000 0.075 0.000 1.165 865 A HN 0.896 nan 8.150 nan 0.000 0.525 866 I N 1.372 121.986 120.570 0.073 0.000 2.499 866 I HA 0.443 4.613 4.170 -0.000 0.000 0.296 866 I C 0.123 176.148 176.117 -0.153 0.000 0.992 866 I CA -0.178 61.067 61.300 -0.092 0.000 1.297 866 I CB 1.753 39.733 38.000 -0.033 0.000 1.410 866 I HN 0.451 nan 8.210 nan 0.000 0.507 867 T N 4.821 119.211 114.554 -0.273 0.000 3.031 867 T HA 0.440 4.789 4.350 -0.000 0.000 0.305 867 T C -0.579 173.893 174.700 -0.379 0.000 0.985 867 T CA -0.329 61.607 62.100 -0.275 0.000 1.008 867 T CB 1.495 70.288 68.868 -0.125 0.000 1.005 867 T HN 0.280 nan 8.240 nan 0.000 0.444 868 V N 3.678 123.222 119.914 -0.617 0.000 2.513 868 V HA 0.638 4.758 4.120 -0.000 0.000 0.299 868 V C -0.591 175.284 176.094 -0.364 0.000 1.035 868 V CA -0.888 61.069 62.300 -0.571 0.000 0.889 868 V CB 2.031 33.245 31.823 -1.016 0.000 0.988 868 V HN 0.757 nan 8.190 nan 0.000 0.440 869 D N 2.666 123.024 120.400 -0.070 0.000 2.542 869 D HA 0.487 5.127 4.640 -0.000 0.000 0.252 869 D C -0.948 175.456 176.300 0.175 0.000 1.222 869 D CA -0.061 53.999 54.000 0.100 0.000 0.895 869 D CB 2.342 43.235 40.800 0.154 0.000 1.207 869 D HN 0.277 nan 8.370 nan 0.000 0.558 870 V N 2.284 122.344 119.914 0.243 0.000 2.513 870 V HA 0.361 4.481 4.120 -0.000 0.000 0.299 870 V C 0.187 176.417 176.094 0.227 0.000 1.035 870 V CA -0.694 61.766 62.300 0.266 0.000 0.889 870 V CB 2.203 34.219 31.823 0.322 0.000 0.988 870 V HN 0.314 nan 8.190 nan 0.000 0.440 871 E N 2.646 122.968 120.200 0.203 0.000 2.171 871 E HA 0.601 4.951 4.350 -0.000 0.000 0.271 871 E C -1.432 175.281 176.600 0.188 0.000 0.916 871 E CA -0.579 55.923 56.400 0.169 0.000 0.774 871 E CB 2.452 32.237 29.700 0.141 0.000 1.128 871 E HN 0.450 nan 8.360 nan 0.000 0.403 872 V N 2.259 122.286 119.914 0.189 0.000 2.417 872 V HA 0.422 4.541 4.120 -0.000 0.000 0.291 872 V C 0.222 176.426 176.094 0.183 0.000 1.024 872 V CA -0.981 61.459 62.300 0.233 0.000 0.861 872 V CB 1.416 33.375 31.823 0.228 0.000 0.985 872 V HN 0.835 nan 8.190 nan 0.000 0.436 873 A N 3.426 126.332 122.820 0.145 0.000 2.546 873 A HA 0.264 4.584 4.320 -0.000 0.000 0.243 873 A C 1.714 179.387 177.584 0.149 0.000 1.063 873 A CA 0.693 52.792 52.037 0.104 0.000 0.757 873 A CB 0.275 19.303 19.000 0.048 0.000 0.991 873 A HN 1.322 nan 8.150 nan 0.000 0.503 874 S N 1.439 117.216 115.700 0.129 0.000 2.383 874 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 874 S C 0.969 175.671 174.600 0.171 0.000 1.030 874 S CA 1.636 59.927 58.200 0.151 0.000 1.002 874 S CB -0.440 62.826 63.200 0.110 0.000 0.829 874 S HN 0.798 nan 8.310 nan 0.000 0.467 875 D N 0.505 120.982 120.400 0.128 0.000 2.319 875 D HA 0.150 4.790 4.640 -0.000 0.000 0.230 875 D C 0.446 176.824 176.300 0.131 0.000 1.094 875 D CA 0.104 54.170 54.000 0.111 0.000 0.856 875 D CB -0.527 40.317 40.800 0.074 0.000 0.915 875 D HN 0.306 nan 8.370 nan 0.000 0.517 876 T N 1.215 115.885 114.554 0.193 0.000 2.859 876 T HA 0.395 4.745 4.350 -0.000 0.000 0.281 876 T C -2.671 172.225 174.700 0.328 0.000 1.005 876 T CA -2.205 60.044 62.100 0.249 0.000 1.025 876 T CB 1.167 70.196 68.868 0.268 0.000 0.977 876 T HN -0.218 nan 8.240 nan 0.000 0.458 877 P HA -0.018 nan 4.420 nan 0.000 0.261 877 P C -0.485 177.169 177.300 0.590 0.000 1.165 877 P CA 0.110 63.392 63.100 0.304 0.000 0.759 877 P CB 0.078 31.925 31.700 0.244 0.000 0.772 878 H N 3.774 123.198 119.070 0.590 0.000 3.125 878 H HA 0.044 4.600 4.556 -0.000 0.000 0.310 878 H C -1.821 173.742 175.328 0.391 0.000 0.980 878 H CA -1.570 54.727 56.048 0.414 0.000 1.422 878 H CB -1.024 28.921 29.762 0.305 0.000 1.432 878 H HN 0.320 nan 8.280 nan 0.000 0.577 879 P HA 0.065 nan 4.420 nan 0.000 0.275 879 P C 0.376 177.455 177.300 -0.368 0.000 1.228 879 P CA -0.267 62.783 63.100 -0.082 0.000 0.786 879 P CB 0.792 32.357 31.700 -0.225 0.000 0.927 880 A N 3.607 125.921 122.820 -0.843 0.000 2.015 880 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 880 A C 1.015 178.195 177.584 -0.673 0.000 1.163 880 A CA 1.305 52.877 52.037 -0.775 0.000 0.646 880 A CB -0.544 17.850 19.000 -1.010 0.000 0.806 880 A HN 0.740 nan 8.150 nan 0.000 0.448 881 R N -2.691 117.437 120.500 -0.620 0.000 2.716 881 R HA 0.727 5.067 4.340 -0.000 0.000 0.271 881 R C -1.741 174.284 176.300 -0.460 0.000 1.028 881 R CA -0.800 54.949 56.100 -0.585 0.000 0.883 881 R CB 0.792 30.672 30.300 -0.700 0.000 1.250 881 R HN -0.009 nan 8.270 nan 0.000 0.465 882 I N 1.674 122.004 120.570 -0.400 0.000 2.583 882 I HA 0.543 4.713 4.170 -0.000 0.000 0.276 882 I C -0.528 175.354 176.117 -0.392 0.000 1.089 882 I CA -0.324 60.775 61.300 -0.335 0.000 1.103 882 I CB 1.654 39.512 38.000 -0.236 0.000 1.209 882 I HN 0.999 nan 8.210 nan 0.000 0.484 883 G N 5.418 113.929 108.800 -0.482 0.000 2.772 883 G HA2 0.759 4.719 3.960 -0.000 0.000 0.284 883 G HA3 0.759 4.719 3.960 -0.000 0.000 0.284 883 G C -1.580 173.140 174.900 -0.299 0.000 1.217 883 G CA -0.472 44.382 45.100 -0.410 0.000 0.831 883 G HN 0.220 nan 8.290 nan 0.000 0.523 884 L N 0.582 121.672 121.223 -0.222 0.000 2.303 884 L HA 0.702 5.042 4.340 -0.000 0.000 0.256 884 L C -0.714 176.044 176.870 -0.186 0.000 1.034 884 L CA -1.039 53.701 54.840 -0.166 0.000 0.832 884 L CB 2.573 44.602 42.059 -0.051 0.000 1.403 884 L HN 0.815 nan 8.230 nan 0.000 0.419 885 N N 0.236 118.858 118.700 -0.131 0.000 2.935 885 N HA 0.577 5.317 4.740 -0.000 0.000 0.248 885 N C -1.585 173.915 175.510 -0.017 0.000 1.276 885 N CA -0.499 52.501 53.050 -0.084 0.000 0.906 885 N CB 2.212 40.663 38.487 -0.060 0.000 1.564 885 N HN 0.875 nan 8.380 nan 0.000 0.500 886 C N -0.418 118.884 119.300 0.004 0.000 3.312 886 C HA 0.573 5.033 4.460 -0.000 0.000 0.332 886 C C -0.875 173.967 174.990 -0.247 0.000 1.340 886 C CA -0.806 58.179 59.018 -0.055 0.000 1.265 886 C CB 1.087 28.798 27.740 -0.048 0.000 1.563 886 C HN 0.830 nan 8.230 nan 0.000 0.471 887 Q N 1.353 120.801 119.800 -0.586 0.000 2.331 887 Q HA 0.621 4.961 4.340 -0.000 0.000 0.257 887 Q C -0.800 174.909 176.000 -0.486 0.000 0.957 887 Q CA -0.370 54.847 55.803 -0.977 0.000 0.923 887 Q CB 0.777 28.617 28.738 -1.496 0.000 1.212 887 Q HN 0.749 nan 8.270 nan 0.000 0.443 888 L N 2.285 123.304 121.223 -0.340 0.000 2.436 888 L HA 0.275 4.615 4.340 -0.000 0.000 0.265 888 L C 0.947 177.713 176.870 -0.172 0.000 1.168 888 L CA -0.163 54.576 54.840 -0.168 0.000 0.815 888 L CB 0.889 42.919 42.059 -0.049 0.000 1.109 888 L HN 0.811 nan 8.230 nan 0.000 0.462 889 A N 1.753 124.501 122.820 -0.121 0.000 2.081 889 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 889 A C 0.966 178.500 177.584 -0.084 0.000 1.158 889 A CA 0.250 52.216 52.037 -0.117 0.000 0.724 889 A CB -0.059 18.870 19.000 -0.117 0.000 0.826 889 A HN 0.806 nan 8.150 nan 0.000 0.463 890 Q N -0.368 119.393 119.800 -0.065 0.000 2.396 890 Q HA 0.452 4.792 4.340 -0.000 0.000 0.221 890 Q C -1.258 174.702 176.000 -0.067 0.000 1.025 890 Q CA 0.045 55.801 55.803 -0.078 0.000 0.946 890 Q CB 0.935 29.612 28.738 -0.102 0.000 1.224 890 Q HN 0.161 nan 8.270 nan 0.000 0.539 891 V N 2.161 122.029 119.914 -0.076 0.000 2.595 891 V HA 0.541 4.661 4.120 -0.000 0.000 0.269 891 V C -0.589 175.500 176.094 -0.008 0.000 0.982 891 V CA -0.384 61.923 62.300 0.013 0.000 0.873 891 V CB 0.556 32.391 31.823 0.020 0.000 1.051 891 V HN 0.874 nan 8.190 nan 0.000 0.466 892 A N 2.536 125.320 122.820 -0.060 0.000 2.239 892 A HA 0.819 5.139 4.320 -0.000 0.000 0.303 892 A C 1.006 178.702 177.584 0.187 0.000 1.114 892 A CA -0.202 51.831 52.037 -0.007 0.000 0.871 892 A CB 0.727 19.622 19.000 -0.175 0.000 1.201 892 A HN 0.585 nan 8.150 nan 0.000 0.506 893 E N 0.162 120.440 120.200 0.131 0.000 2.042 893 E HA 0.020 4.370 4.350 -0.000 0.000 0.189 893 E C 0.544 177.245 176.600 0.169 0.000 0.974 893 E CA 1.017 57.492 56.400 0.126 0.000 0.806 893 E CB -0.021 29.726 29.700 0.078 0.000 0.769 893 E HN 0.546 nan 8.360 nan 0.000 0.451 894 R N -0.112 120.505 120.500 0.196 0.000 2.856 894 R HA 0.632 4.971 4.340 -0.000 0.000 0.258 894 R C -0.539 175.944 176.300 0.306 0.000 1.066 894 R CA -0.801 55.425 56.100 0.210 0.000 1.045 894 R CB 1.972 32.369 30.300 0.161 0.000 1.178 894 R HN -0.158 nan 8.270 nan 0.000 0.499 895 V N 1.138 121.222 119.914 0.282 0.000 2.789 895 V HA 0.404 4.524 4.120 -0.000 0.000 0.311 895 V C -0.606 175.745 176.094 0.428 0.000 1.073 895 V CA -0.953 61.540 62.300 0.323 0.000 0.921 895 V CB 2.107 34.038 31.823 0.181 0.000 1.009 895 V HN 0.754 nan 8.190 nan 0.000 0.426 896 N N 3.056 122.020 118.700 0.440 0.000 2.397 896 N HA 0.484 5.223 4.740 -0.000 0.000 0.291 896 N C -1.580 174.206 175.510 0.460 0.000 1.065 896 N CA -0.445 52.833 53.050 0.381 0.000 0.884 896 N CB 2.791 41.387 38.487 0.182 0.000 1.551 896 N HN 0.833 nan 8.380 nan 0.000 0.487 897 W N 2.909 124.253 121.300 0.074 0.000 3.075 897 W HA 0.653 5.313 4.660 -0.000 0.000 0.334 897 W C -1.944 174.559 176.519 -0.026 0.000 1.243 897 W CA -1.115 56.256 57.345 0.044 0.000 1.170 897 W CB 0.799 30.319 29.460 0.100 0.000 1.452 897 W HN 0.245 nan 8.180 nan 0.000 0.572 898 L N 3.587 124.837 121.223 0.044 0.000 2.324 898 L HA 0.914 5.254 4.340 -0.000 0.000 0.274 898 L C -0.104 176.693 176.870 -0.123 0.000 1.012 898 L CA 0.213 54.906 54.840 -0.245 0.000 0.859 898 L CB 0.686 42.676 42.059 -0.115 0.000 1.224 898 L HN 1.005 nan 8.230 nan 0.000 0.429 899 G N 3.541 112.166 108.800 -0.292 0.000 2.341 899 G HA2 0.207 4.167 3.960 -0.000 0.000 0.299 899 G HA3 0.207 4.167 3.960 -0.000 0.000 0.299 899 G C -1.530 173.468 174.900 0.164 0.000 1.274 899 G CA -1.106 44.028 45.100 0.056 0.000 0.853 899 G HN 0.407 nan 8.290 nan 0.000 0.493 900 L N 1.366 122.774 121.223 0.310 0.000 2.534 900 L HA 0.488 4.828 4.340 -0.000 0.000 0.271 900 L C 1.108 178.072 176.870 0.156 0.000 1.178 900 L CA 0.944 55.904 54.840 0.200 0.000 0.907 900 L CB -0.077 42.048 42.059 0.110 0.000 1.164 900 L HN 0.996 nan 8.230 nan 0.000 0.482 901 G N 3.780 112.496 108.800 -0.140 0.000 2.619 901 G HA2 0.434 4.394 3.960 -0.000 0.000 0.305 901 G HA3 0.434 4.394 3.960 -0.000 0.000 0.305 901 G C -2.747 171.350 174.900 -1.339 0.000 1.330 901 G CA -0.350 44.326 45.100 -0.707 0.000 0.789 901 G HN 0.292 nan 8.290 nan 0.000 0.487 902 P HA 0.165 nan 4.420 nan 0.000 0.257 902 P C 0.200 177.308 177.300 -0.321 0.000 1.241 902 P CA 0.275 62.854 63.100 -0.869 0.000 0.816 902 P CB 0.644 31.931 31.700 -0.689 0.000 1.150 903 Q N 0.786 120.373 119.800 -0.355 0.000 2.317 903 Q HA 0.117 4.457 4.340 -0.000 0.000 0.229 903 Q C 0.360 176.222 176.000 -0.231 0.000 0.984 903 Q CA -0.349 55.313 55.803 -0.236 0.000 0.911 903 Q CB 0.943 29.561 28.738 -0.201 0.000 1.217 903 Q HN 0.212 nan 8.270 nan 0.000 0.501 904 E N 1.487 121.564 120.200 -0.204 0.000 2.529 904 E HA -0.092 4.257 4.350 -0.000 0.000 0.259 904 E C -1.031 175.471 176.600 -0.164 0.000 0.966 904 E CA 0.234 56.505 56.400 -0.215 0.000 0.937 904 E CB 0.190 29.837 29.700 -0.089 0.000 0.923 904 E HN 0.596 nan 8.360 nan 0.000 0.468 905 N N 2.852 121.370 118.700 -0.303 0.000 2.324 905 N HA 0.306 5.046 4.740 -0.000 0.000 0.285 905 N C -1.799 173.494 175.510 -0.362 0.000 1.076 905 N CA -0.710 52.225 53.050 -0.191 0.000 0.864 905 N CB 0.768 39.162 38.487 -0.155 0.000 1.632 905 N HN 0.208 nan 8.380 nan 0.000 0.478 906 Y N 0.190 120.382 120.300 -0.179 0.000 2.621 906 Y HA 0.513 5.063 4.550 -0.000 0.000 0.334 906 Y C -1.549 174.267 175.900 -0.140 0.000 1.074 906 Y CA -2.177 55.805 58.100 -0.196 0.000 1.149 906 Y CB 1.436 39.762 38.460 -0.224 0.000 1.302 906 Y HN 0.448 nan 8.280 nan 0.000 0.501 907 P HA -0.147 nan 4.420 nan 0.000 0.218 907 P C 0.254 177.462 177.300 -0.152 0.000 1.148 907 P CA 1.853 64.996 63.100 0.073 0.000 0.822 907 P CB 0.178 32.021 31.700 0.239 0.000 0.784 908 D N -1.679 118.454 120.400 -0.446 0.000 2.427 908 D HA 0.049 4.689 4.640 -0.000 0.000 0.224 908 D C 0.502 176.629 176.300 -0.289 0.000 1.157 908 D CA -0.252 53.248 54.000 -0.834 0.000 0.828 908 D CB -0.236 39.745 40.800 -1.365 0.000 0.974 908 D HN 0.113 nan 8.370 nan 0.000 0.498 909 R N 1.004 121.438 120.500 -0.110 0.000 2.714 909 R HA 0.145 4.484 4.340 -0.000 0.000 0.214 909 R C -0.945 175.364 176.300 0.016 0.000 1.474 909 R CA -0.182 55.906 56.100 -0.020 0.000 1.435 909 R CB -0.086 30.200 30.300 -0.022 0.000 1.517 909 R HN 0.107 nan 8.270 nan 0.000 0.748 910 L N -1.550 119.694 121.223 0.035 0.000 3.510 910 L HA 0.352 4.692 4.340 -0.000 0.000 0.324 910 L C 1.054 177.964 176.870 0.068 0.000 1.307 910 L CA 0.055 54.914 54.840 0.033 0.000 1.011 910 L CB 0.014 42.078 42.059 0.009 0.000 1.422 910 L HN 0.108 nan 8.230 nan 0.000 0.617 911 T N -2.946 111.677 114.554 0.116 0.000 2.867 911 T HA 0.037 4.387 4.350 -0.000 0.000 0.268 911 T C 1.807 176.576 174.700 0.116 0.000 1.057 911 T CA 1.227 63.427 62.100 0.165 0.000 1.136 911 T CB -0.302 68.714 68.868 0.246 0.000 0.874 911 T HN 0.394 nan 8.240 nan 0.000 0.466 912 A N 1.760 124.663 122.820 0.138 0.000 2.121 912 A HA 0.568 4.888 4.320 -0.000 0.000 0.218 912 A C 1.625 179.261 177.584 0.086 0.000 1.154 912 A CA 0.620 52.717 52.037 0.100 0.000 0.679 912 A CB -1.021 18.119 19.000 0.234 0.000 0.795 912 A HN 0.826 nan 8.150 nan 0.000 0.458 913 A N -0.732 122.091 122.820 0.004 0.000 2.450 913 A HA 0.441 4.761 4.320 -0.000 0.000 0.255 913 A C 0.061 177.624 177.584 -0.035 0.000 1.096 913 A CA -0.138 51.861 52.037 -0.064 0.000 0.778 913 A CB -0.306 18.659 19.000 -0.059 0.000 1.031 913 A HN 0.472 nan 8.150 nan 0.000 0.494 914 C N 1.626 120.891 119.300 -0.059 0.000 2.435 914 C HA 0.517 4.976 4.460 -0.000 0.000 0.333 914 C C 0.056 175.064 174.990 0.030 0.000 1.202 914 C CA -0.522 58.485 59.018 -0.018 0.000 1.830 914 C CB 0.596 28.333 27.740 -0.005 0.000 2.326 914 C HN 0.801 nan 8.230 nan 0.000 0.507 915 F N 3.725 123.446 119.950 -0.381 0.000 2.438 915 F HA 0.475 5.002 4.527 -0.000 0.000 0.360 915 F C 0.183 175.689 175.800 -0.490 0.000 1.118 915 F CA 0.930 58.625 58.000 -0.507 0.000 1.164 915 F CB -0.249 38.000 39.000 -1.253 0.000 1.131 915 F HN 0.710 nan 8.300 nan 0.000 0.527 916 D N 3.493 123.312 120.400 -0.969 0.000 2.779 916 D HA 0.221 4.861 4.640 -0.000 0.000 0.331 916 D C -1.455 173.946 176.300 -1.498 0.000 1.331 916 D CA -0.783 52.524 54.000 -1.156 0.000 0.866 916 D CB 1.197 41.401 40.800 -0.993 0.000 1.409 916 D HN 0.466 nan 8.370 nan 0.000 0.486 917 R N 0.975 120.664 120.500 -1.351 0.000 2.248 917 R HA 0.423 4.763 4.340 -0.000 0.000 0.337 917 R C -0.984 174.477 176.300 -1.398 0.000 1.106 917 R CA -0.311 55.104 56.100 -1.141 0.000 0.959 917 R CB 0.021 29.931 30.300 -0.649 0.000 1.075 917 R HN 0.253 nan 8.270 nan 0.000 0.480 918 W N 2.635 123.337 121.300 -0.997 0.000 2.516 918 W HA 0.376 5.036 4.660 -0.000 0.000 0.343 918 W C -0.111 175.923 176.519 -0.809 0.000 1.094 918 W CA -0.532 56.160 57.345 -1.088 0.000 1.250 918 W CB 1.214 29.528 29.460 -1.910 0.000 1.308 918 W HN 0.328 nan 8.180 nan 0.000 0.588 919 D N 2.723 123.021 120.400 -0.170 0.000 2.616 919 D HA 0.383 5.022 4.640 -0.000 0.000 0.238 919 D C -1.356 175.032 176.300 0.147 0.000 1.354 919 D CA -0.146 53.883 54.000 0.047 0.000 0.970 919 D CB 0.871 41.669 40.800 -0.003 0.000 1.369 919 D HN 0.369 nan 8.370 nan 0.000 0.585 920 L N 2.369 123.761 121.223 0.282 0.000 2.277 920 L HA 0.635 4.975 4.340 -0.000 0.000 0.254 920 L C -2.407 174.571 176.870 0.181 0.000 1.044 920 L CA -2.189 52.780 54.840 0.215 0.000 0.842 920 L CB 2.098 44.303 42.059 0.245 0.000 1.422 920 L HN 0.164 nan 8.230 nan 0.000 0.422 921 P HA 0.094 nan 4.420 nan 0.000 0.275 921 P C 0.505 177.865 177.300 0.100 0.000 1.228 921 P CA -0.420 62.744 63.100 0.107 0.000 0.786 921 P CB 0.959 32.704 31.700 0.076 0.000 0.927 922 L N 2.797 124.077 121.223 0.094 0.000 2.051 922 L HA -0.241 4.099 4.340 -0.000 0.000 0.214 922 L C 2.413 179.309 176.870 0.043 0.000 1.076 922 L CA 2.217 57.087 54.840 0.050 0.000 0.758 922 L CB -1.408 40.686 42.059 0.058 0.000 0.890 922 L HN 0.324 nan 8.230 nan 0.000 0.433 923 S N -0.686 115.050 115.700 0.059 0.000 2.392 923 S HA -0.222 4.248 4.470 -0.000 0.000 0.232 923 S C 1.267 175.916 174.600 0.081 0.000 1.041 923 S CA 1.678 59.923 58.200 0.074 0.000 1.026 923 S CB -0.485 62.752 63.200 0.061 0.000 0.845 923 S HN 0.617 nan 8.310 nan 0.000 0.465 924 D N 0.507 120.938 120.400 0.051 0.000 2.324 924 D HA 0.091 4.731 4.640 -0.000 0.000 0.235 924 D C 0.915 177.209 176.300 -0.012 0.000 1.095 924 D CA 0.321 54.333 54.000 0.020 0.000 0.871 924 D CB 0.071 40.889 40.800 0.030 0.000 0.906 924 D HN 0.431 nan 8.370 nan 0.000 0.522 925 M N -0.696 118.907 119.600 0.005 0.000 2.333 925 M HA 0.107 4.587 4.480 -0.000 0.000 0.257 925 M C -0.110 176.181 176.300 -0.015 0.000 1.078 925 M CA -0.203 55.056 55.300 -0.069 0.000 1.005 925 M CB -0.076 32.448 32.600 -0.127 0.000 1.444 925 M HN -0.033 nan 8.290 nan 0.000 0.496 926 Y N 1.130 121.379 120.300 -0.085 0.000 2.328 926 Y HA 0.497 5.047 4.550 -0.000 0.000 0.337 926 Y C -0.646 175.187 175.900 -0.113 0.000 0.966 926 Y CA -0.657 57.407 58.100 -0.059 0.000 1.136 926 Y CB 1.144 39.633 38.460 0.048 0.000 1.170 926 Y HN -0.141 nan 8.280 nan 0.000 0.470 927 T N 9.472 123.646 114.554 -0.634 0.000 2.771 927 T HA 0.268 4.618 4.350 -0.000 0.000 0.291 927 T C -2.558 171.395 174.700 -1.245 0.000 0.954 927 T CA -1.373 60.235 62.100 -0.819 0.000 1.045 927 T CB 0.949 69.355 68.868 -0.771 0.000 0.917 927 T HN 0.479 nan 8.240 nan 0.000 0.484 928 P HA 0.193 nan 4.420 nan 0.000 0.214 928 P C -0.775 176.368 177.300 -0.261 0.000 1.826 928 P CA -0.535 62.111 63.100 -0.756 0.000 0.977 928 P CB -0.587 30.816 31.700 -0.496 0.000 1.930 929 Y N -0.211 120.002 120.300 -0.145 0.000 2.610 929 Y HA -0.086 4.464 4.550 -0.000 0.000 0.332 929 Y C 2.249 178.189 175.900 0.067 0.000 1.201 929 Y CA 0.057 58.148 58.100 -0.015 0.000 1.465 929 Y CB 0.182 38.558 38.460 -0.140 0.000 1.283 929 Y HN -0.087 nan 8.280 nan 0.000 0.563 930 V N 3.323 123.444 119.914 0.344 0.000 2.453 930 V HA -0.299 3.820 4.120 -0.000 0.000 0.252 930 V C 0.489 176.763 176.094 0.300 0.000 1.068 930 V CA 1.592 64.071 62.300 0.300 0.000 1.070 930 V CB -0.738 31.287 31.823 0.337 0.000 0.664 930 V HN 0.606 nan 8.190 nan 0.000 0.461 931 F N 2.745 122.743 119.950 0.080 0.000 2.366 931 F HA 0.543 5.070 4.527 -0.000 0.000 0.366 931 F C -2.468 173.324 175.800 -0.013 0.000 1.096 931 F CA -3.430 54.573 58.000 0.005 0.000 1.060 931 F CB 0.986 39.895 39.000 -0.152 0.000 1.282 931 F HN -0.040 nan 8.300 nan 0.000 0.450 932 P HA 0.177 nan 4.420 nan 0.000 0.264 932 P C -0.805 176.237 177.300 -0.431 0.000 1.183 932 P CA 0.380 63.285 63.100 -0.325 0.000 0.763 932 P CB 1.091 32.583 31.700 -0.346 0.000 0.807 933 S N 0.306 115.910 115.700 -0.161 0.000 2.669 933 S HA 0.360 4.830 4.470 -0.000 0.000 0.266 933 S C -0.795 173.793 174.600 -0.019 0.000 1.149 933 S CA -1.023 57.120 58.200 -0.095 0.000 0.842 933 S CB 0.421 63.594 63.200 -0.046 0.000 1.160 933 S HN 0.387 nan 8.310 nan 0.000 0.487 934 E N 1.074 121.273 120.200 -0.002 0.000 2.467 934 E HA 0.379 4.729 4.350 -0.000 0.000 0.264 934 E C 0.039 176.686 176.600 0.079 0.000 1.020 934 E CA 1.009 57.434 56.400 0.042 0.000 0.945 934 E CB 0.020 29.770 29.700 0.084 0.000 0.942 934 E HN 0.873 nan 8.360 nan 0.000 0.449 935 N N 0.782 119.565 118.700 0.138 0.000 3.427 935 N HA 0.348 5.088 4.740 -0.000 0.000 0.313 935 N C 0.611 176.164 175.510 0.073 0.000 1.491 935 N CA -0.320 52.851 53.050 0.201 0.000 0.870 935 N CB -0.013 38.580 38.487 0.176 0.000 1.763 935 N HN 0.749 nan 8.380 nan 0.000 0.502 936 G N -1.002 107.777 108.800 -0.034 0.000 2.413 936 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.259 936 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.259 936 G C 0.144 174.765 174.900 -0.466 0.000 1.003 936 G CA 0.894 45.863 45.100 -0.218 0.000 0.629 936 G HN 0.813 nan 8.290 nan 0.000 0.548 937 L N 1.082 121.976 121.223 -0.549 0.000 2.613 937 L HA 0.235 4.575 4.340 -0.000 0.000 0.304 937 L C 0.960 177.249 176.870 -0.968 0.000 1.266 937 L CA 1.091 55.368 54.840 -0.938 0.000 0.868 937 L CB 0.323 41.465 42.059 -1.528 0.000 1.111 937 L HN 0.461 nan 8.230 nan 0.000 0.515 938 R N 3.562 123.449 120.500 -1.021 0.000 2.725 938 R HA 0.573 4.913 4.340 -0.000 0.000 0.277 938 R C -1.187 174.792 176.300 -0.535 0.000 0.987 938 R CA -0.767 54.849 56.100 -0.806 0.000 0.901 938 R CB 1.156 30.889 30.300 -0.946 0.000 1.207 938 R HN 0.572 nan 8.270 nan 0.000 0.463 939 C N -0.635 118.496 119.300 -0.281 0.000 2.710 939 C HA 0.683 5.143 4.460 -0.000 0.000 0.367 939 C C 1.083 176.068 174.990 -0.008 0.000 1.315 939 C CA 0.131 59.059 59.018 -0.150 0.000 1.764 939 C CB 1.421 29.090 27.740 -0.118 0.000 2.182 939 C HN 1.068 nan 8.230 nan 0.000 0.491 940 G N 2.226 111.023 108.800 -0.004 0.000 2.393 940 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.299 940 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.299 940 G C -0.115 174.832 174.900 0.078 0.000 0.990 940 G CA 0.599 45.733 45.100 0.056 0.000 1.118 940 G HN 0.802 nan 8.290 nan 0.000 0.513 941 T N -0.258 114.212 114.554 -0.140 0.000 2.837 941 T HA 0.521 4.871 4.350 -0.000 0.000 0.285 941 T C 1.473 175.871 174.700 -0.504 0.000 0.984 941 T CA -0.508 61.457 62.100 -0.224 0.000 1.049 941 T CB 1.680 70.421 68.868 -0.211 0.000 0.947 941 T HN 0.346 nan 8.240 nan 0.000 0.472 942 R N 0.884 121.306 120.500 -0.130 0.000 2.250 942 R HA 0.257 4.597 4.340 -0.000 0.000 0.194 942 R C 0.460 176.801 176.300 0.070 0.000 0.927 942 R CA 0.209 56.299 56.100 -0.017 0.000 1.052 942 R CB 0.805 31.213 30.300 0.180 0.000 1.055 942 R HN 0.689 nan 8.270 nan 0.000 0.537 943 E N 0.754 121.016 120.200 0.104 0.000 2.354 943 E HA 0.256 4.605 4.350 -0.000 0.000 0.283 943 E C -2.066 174.672 176.600 0.230 0.000 0.938 943 E CA -0.598 55.926 56.400 0.207 0.000 0.777 943 E CB 1.822 31.619 29.700 0.162 0.000 1.222 943 E HN -0.055 nan 8.360 nan 0.000 0.423 944 L N 4.073 125.481 121.223 0.307 0.000 2.439 944 L HA 0.588 4.928 4.340 -0.000 0.000 0.270 944 L C -2.051 175.025 176.870 0.344 0.000 0.972 944 L CA -0.342 54.636 54.840 0.230 0.000 0.836 944 L CB 1.713 43.756 42.059 -0.027 0.000 1.255 944 L HN 0.445 nan 8.230 nan 0.000 0.404 945 N N 4.691 123.562 118.700 0.286 0.000 2.354 945 N HA 0.405 5.145 4.740 -0.000 0.000 0.287 945 N C -1.938 173.798 175.510 0.377 0.000 1.016 945 N CA -0.314 52.914 53.050 0.297 0.000 0.871 945 N CB 2.129 40.733 38.487 0.194 0.000 1.299 945 N HN 0.573 nan 8.380 nan 0.000 0.482 946 Y N 1.135 121.580 120.300 0.242 0.000 2.396 946 Y HA 0.461 5.011 4.550 -0.000 0.000 0.332 946 Y C 0.714 176.737 175.900 0.204 0.000 1.034 946 Y CA 0.074 58.300 58.100 0.210 0.000 1.057 946 Y CB 0.920 39.519 38.460 0.233 0.000 1.220 946 Y HN 0.856 nan 8.280 nan 0.000 0.440 947 G N 6.451 115.143 108.800 -0.180 0.000 2.583 947 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.292 947 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.292 947 G C -1.898 172.970 174.900 -0.052 0.000 1.203 947 G CA 0.129 45.130 45.100 -0.165 0.000 0.987 947 G HN 0.582 nan 8.290 nan 0.000 0.554 948 P HA 0.230 nan 4.420 nan 0.000 0.261 948 P C 0.326 177.460 177.300 -0.277 0.000 1.268 948 P CA 0.601 63.593 63.100 -0.181 0.000 0.833 948 P CB 0.104 31.642 31.700 -0.269 0.000 1.231 949 H N 0.140 119.130 119.070 -0.134 0.000 2.500 949 H HA 0.597 5.153 4.556 -0.000 0.000 0.351 949 H C 0.376 175.504 175.328 -0.333 0.000 1.281 949 H CA -0.062 55.813 56.048 -0.289 0.000 1.368 949 H CB 0.751 30.138 29.762 -0.626 0.000 1.616 949 H HN -0.088 nan 8.280 nan 0.000 0.591 950 Q N 0.893 120.446 119.800 -0.412 0.000 2.443 950 Q HA 0.206 4.546 4.340 -0.000 0.000 0.258 950 Q C -2.092 173.723 176.000 -0.309 0.000 0.967 950 Q CA -0.686 54.995 55.803 -0.205 0.000 0.951 950 Q CB 1.559 30.294 28.738 -0.005 0.000 1.459 950 Q HN 0.616 nan 8.270 nan 0.000 0.415 951 W N 3.115 124.433 121.300 0.030 0.000 2.781 951 W HA 0.695 5.355 4.660 -0.000 0.000 0.345 951 W C -0.240 176.389 176.519 0.183 0.000 1.085 951 W CA -0.891 56.459 57.345 0.008 0.000 1.198 951 W CB 2.376 31.687 29.460 -0.249 0.000 1.423 951 W HN 0.581 nan 8.180 nan 0.000 0.532 952 R N 0.189 120.977 120.500 0.480 0.000 2.668 952 R HA 0.663 5.002 4.340 -0.000 0.000 0.272 952 R C -0.063 176.528 176.300 0.484 0.000 1.019 952 R CA -0.527 55.841 56.100 0.447 0.000 0.894 952 R CB 2.345 32.814 30.300 0.283 0.000 1.228 952 R HN 0.785 nan 8.270 nan 0.000 0.460 953 G N 0.789 109.871 108.800 0.471 0.000 2.591 953 G HA2 0.038 3.997 3.960 -0.000 0.000 0.104 953 G HA3 0.038 3.997 3.960 -0.000 0.000 0.104 953 G C -1.757 173.273 174.900 0.218 0.000 1.097 953 G CA -0.461 44.882 45.100 0.405 0.000 1.076 953 G HN 0.496 nan 8.290 nan 0.000 0.485 954 D N 0.136 120.678 120.400 0.236 0.000 2.328 954 D HA 0.613 5.253 4.640 -0.000 0.000 0.243 954 D C -0.695 175.602 176.300 -0.005 0.000 1.324 954 D CA -0.383 53.614 54.000 -0.005 0.000 0.966 954 D CB 0.567 41.405 40.800 0.063 0.000 1.324 954 D HN 0.566 nan 8.370 nan 0.000 0.549 955 F N -0.266 119.672 119.950 -0.020 0.000 2.923 955 F HA 0.657 5.184 4.527 -0.000 0.000 0.323 955 F C -1.382 174.379 175.800 -0.066 0.000 1.189 955 F CA -1.101 56.822 58.000 -0.128 0.000 0.930 955 F CB 0.659 39.565 39.000 -0.156 0.000 1.414 955 F HN -0.146 nan 8.300 nan 0.000 0.496 956 Q N 1.339 121.241 119.800 0.170 0.000 2.351 956 Q HA 0.708 5.047 4.340 -0.000 0.000 0.273 956 Q C -1.243 174.883 176.000 0.211 0.000 1.077 956 Q CA -0.545 55.288 55.803 0.050 0.000 0.843 956 Q CB 2.751 31.402 28.738 -0.146 0.000 1.367 956 Q HN 0.865 nan 8.270 nan 0.000 0.449 957 F N -1.435 118.414 119.950 -0.168 0.000 2.713 957 F HA 0.727 5.254 4.527 -0.000 0.000 0.311 957 F C -1.767 173.837 175.800 -0.327 0.000 1.141 957 F CA -1.123 56.738 58.000 -0.231 0.000 0.939 957 F CB 1.368 40.248 39.000 -0.201 0.000 1.325 957 F HN 0.596 nan 8.300 nan 0.000 0.453 958 N N 1.389 119.961 118.700 -0.212 0.000 2.329 958 N HA 0.726 5.466 4.740 -0.000 0.000 0.282 958 N C -2.070 173.402 175.510 -0.065 0.000 1.198 958 N CA -0.752 52.120 53.050 -0.297 0.000 0.790 958 N CB 2.661 40.977 38.487 -0.285 0.000 1.579 958 N HN 1.158 nan 8.380 nan 0.000 0.475 959 I N 0.584 121.099 120.570 -0.092 0.000 2.611 959 I HA 0.609 4.779 4.170 -0.000 0.000 0.287 959 I C -1.474 174.582 176.117 -0.103 0.000 1.184 959 I CA 0.058 61.296 61.300 -0.103 0.000 1.054 959 I CB 0.977 38.869 38.000 -0.180 0.000 1.257 959 I HN 1.006 nan 8.210 nan 0.000 0.435 960 S N 6.417 122.091 115.700 -0.044 0.000 2.752 960 S HA 0.576 5.046 4.470 -0.000 0.000 0.284 960 S C -0.052 174.503 174.600 -0.076 0.000 1.189 960 S CA -0.977 57.194 58.200 -0.049 0.000 0.835 960 S CB 1.877 65.113 63.200 0.060 0.000 1.192 960 S HN 0.639 nan 8.310 nan 0.000 0.506 961 R N 0.077 120.377 120.500 -0.334 0.000 2.391 961 R HA 0.257 4.597 4.340 -0.000 0.000 0.249 961 R C -1.030 174.924 176.300 -0.576 0.000 0.957 961 R CA 0.244 56.084 56.100 -0.433 0.000 1.093 961 R CB -0.944 28.976 30.300 -0.634 0.000 1.156 961 R HN 0.636 nan 8.270 nan 0.000 0.526 962 Y N -0.325 119.967 120.300 -0.014 0.000 2.406 962 Y HA 0.238 4.788 4.550 -0.000 0.000 0.340 962 Y C 0.508 176.141 175.900 -0.444 0.000 0.975 962 Y CA -1.295 56.694 58.100 -0.186 0.000 1.056 962 Y CB 1.363 39.669 38.460 -0.257 0.000 1.210 962 Y HN -0.097 nan 8.280 nan 0.000 0.448 963 S N 1.646 116.950 115.700 -0.660 0.000 2.603 963 S HA 0.090 4.560 4.470 -0.000 0.000 0.268 963 S C 0.857 175.143 174.600 -0.525 0.000 1.317 963 S CA -0.807 56.714 58.200 -1.132 0.000 1.012 963 S CB 1.170 63.587 63.200 -1.305 0.000 0.926 963 S HN 0.730 nan 8.310 nan 0.000 0.539 964 Q N 0.899 120.417 119.800 -0.471 0.000 2.135 964 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 964 Q C 2.138 178.002 176.000 -0.227 0.000 0.981 964 Q CA 1.772 57.419 55.803 -0.259 0.000 0.856 964 Q CB -0.525 28.098 28.738 -0.191 0.000 0.902 964 Q HN 0.899 nan 8.270 nan 0.000 0.425 965 Q N 0.751 120.387 119.800 -0.274 0.000 2.014 965 Q HA -0.253 4.087 4.340 -0.000 0.000 0.207 965 Q C 2.238 178.128 176.000 -0.184 0.000 0.993 965 Q CA 1.851 57.540 55.803 -0.190 0.000 0.850 965 Q CB -0.052 28.586 28.738 -0.166 0.000 0.916 965 Q HN 0.415 nan 8.270 nan 0.000 0.417 966 Q N 0.045 119.715 119.800 -0.218 0.000 2.077 966 Q HA -0.226 4.113 4.340 -0.000 0.000 0.206 966 Q C 2.162 178.033 176.000 -0.216 0.000 0.989 966 Q CA 1.674 57.354 55.803 -0.205 0.000 0.853 966 Q CB -0.192 28.418 28.738 -0.213 0.000 0.907 966 Q HN 0.440 nan 8.270 nan 0.000 0.418 967 L N 0.145 121.240 121.223 -0.214 0.000 1.990 967 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 967 L C 2.728 179.456 176.870 -0.236 0.000 1.072 967 L CA 1.734 56.441 54.840 -0.222 0.000 0.755 967 L CB -0.528 41.429 42.059 -0.170 0.000 0.889 967 L HN 0.474 nan 8.230 nan 0.000 0.432 968 M N -0.477 119.010 119.600 -0.187 0.000 2.686 968 M HA -0.114 4.366 4.480 -0.000 0.000 0.246 968 M C 1.096 177.299 176.300 -0.162 0.000 1.096 968 M CA 1.510 56.709 55.300 -0.168 0.000 1.076 968 M CB -0.018 32.504 32.600 -0.131 0.000 1.504 968 M HN 0.213 nan 8.290 nan 0.000 0.524 969 E N -0.730 119.370 120.200 -0.167 0.000 2.508 969 E HA 0.148 4.497 4.350 -0.000 0.000 0.217 969 E C -0.259 176.260 176.600 -0.136 0.000 0.896 969 E CA 0.021 56.344 56.400 -0.129 0.000 1.118 969 E CB 0.706 30.348 29.700 -0.098 0.000 1.133 969 E HN 0.315 nan 8.360 nan 0.000 0.526 970 T N 1.225 115.665 114.554 -0.190 0.000 2.806 970 T HA 0.080 4.430 4.350 -0.000 0.000 0.290 970 T C 1.199 175.787 174.700 -0.186 0.000 0.966 970 T CA -0.098 61.894 62.100 -0.181 0.000 1.060 970 T CB 1.557 70.289 68.868 -0.226 0.000 0.927 970 T HN 0.089 nan 8.240 nan 0.000 0.485 971 S N 2.342 118.026 115.700 -0.027 0.000 2.446 971 S HA 0.008 4.478 4.470 -0.000 0.000 0.225 971 S C 0.323 175.068 174.600 0.241 0.000 1.016 971 S CA 0.410 58.696 58.200 0.143 0.000 0.943 971 S CB -0.187 63.245 63.200 0.386 0.000 0.786 971 S HN 0.731 nan 8.310 nan 0.000 0.508 972 H N 0.734 119.788 119.070 -0.027 0.000 2.600 972 H HA 0.511 5.067 4.556 -0.000 0.000 0.357 972 H C 1.040 176.354 175.328 -0.023 0.000 1.106 972 H CA -0.614 55.474 56.048 0.067 0.000 1.193 972 H CB 1.490 31.310 29.762 0.096 0.000 1.594 972 H HN 0.158 nan 8.280 nan 0.000 0.526 973 R N 2.139 122.735 120.500 0.161 0.000 2.154 973 R HA -0.231 4.108 4.340 -0.000 0.000 0.248 973 R C 1.107 177.437 176.300 0.049 0.000 1.155 973 R CA 2.151 58.293 56.100 0.069 0.000 0.979 973 R CB -0.523 29.843 30.300 0.109 0.000 0.869 973 R HN 0.817 nan 8.270 nan 0.000 0.452 974 H N 0.805 119.853 119.070 -0.038 0.000 2.546 974 H HA 0.039 4.595 4.556 -0.000 0.000 0.277 974 H C 1.695 176.920 175.328 -0.171 0.000 1.004 974 H CA 0.833 56.816 56.048 -0.108 0.000 1.231 974 H CB -0.236 29.435 29.762 -0.152 0.000 1.382 974 H HN 0.319 nan 8.280 nan 0.000 0.580 975 L N 0.668 121.548 121.223 -0.571 0.000 2.509 975 L HA 0.154 4.494 4.340 -0.000 0.000 0.222 975 L C 0.974 177.691 176.870 -0.256 0.000 1.123 975 L CA -0.038 54.502 54.840 -0.501 0.000 0.856 975 L CB 0.009 41.785 42.059 -0.472 0.000 0.985 975 L HN 0.097 nan 8.230 nan 0.000 0.456 976 L N 1.335 122.417 121.223 -0.236 0.000 2.456 976 L HA 0.033 4.373 4.340 -0.000 0.000 0.272 976 L C 0.258 177.094 176.870 -0.057 0.000 1.189 976 L CA 0.258 54.943 54.840 -0.258 0.000 0.846 976 L CB 0.241 42.032 42.059 -0.446 0.000 1.111 976 L HN 0.254 nan 8.230 nan 0.000 0.475 977 H N 2.008 121.127 119.070 0.082 0.000 2.637 977 H HA 0.620 5.176 4.556 -0.000 0.000 0.363 977 H C -0.873 174.540 175.328 0.141 0.000 1.131 977 H CA -1.260 54.846 56.048 0.097 0.000 1.183 977 H CB 1.508 31.277 29.762 0.011 0.000 1.637 977 H HN 0.650 nan 8.280 nan 0.000 0.531 978 A N 3.475 126.409 122.820 0.190 0.000 2.450 978 A HA 0.135 4.455 4.320 -0.000 0.000 0.255 978 A C 0.414 178.024 177.584 0.043 0.000 1.096 978 A CA -0.362 51.610 52.037 -0.107 0.000 0.778 978 A CB 0.084 18.973 19.000 -0.185 0.000 1.031 978 A HN 0.872 nan 8.150 nan 0.000 0.494 979 E N 0.749 120.939 120.200 -0.015 0.000 2.620 979 E HA 0.071 4.421 4.350 -0.000 0.000 0.255 979 E C 0.771 177.382 176.600 0.018 0.000 1.346 979 E CA -0.474 55.988 56.400 0.104 0.000 1.013 979 E CB 0.491 30.354 29.700 0.272 0.000 1.131 979 E HN 0.816 nan 8.360 nan 0.000 0.608 980 E N -0.127 120.078 120.200 0.009 0.000 2.017 980 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 980 E C 0.842 177.389 176.600 -0.088 0.000 0.997 980 E CA 1.331 57.703 56.400 -0.048 0.000 0.804 980 E CB 0.029 29.697 29.700 -0.053 0.000 0.757 980 E HN 0.511 nan 8.360 nan 0.000 0.448 981 G N -0.977 107.732 108.800 -0.152 0.000 3.234 981 G HA2 0.283 4.243 3.960 -0.000 0.000 0.159 981 G HA3 0.283 4.243 3.960 -0.000 0.000 0.159 981 G C -0.729 174.093 174.900 -0.131 0.000 1.175 981 G CA -0.291 44.726 45.100 -0.139 0.000 0.900 981 G HN 0.041 nan 8.290 nan 0.000 0.621 982 T N 0.457 114.948 114.554 -0.104 0.000 2.824 982 T HA 0.409 4.759 4.350 -0.000 0.000 0.280 982 T C -1.390 173.222 174.700 -0.148 0.000 0.995 982 T CA -0.039 62.036 62.100 -0.042 0.000 1.009 982 T CB 1.318 70.287 68.868 0.168 0.000 0.955 982 T HN 0.316 nan 8.240 nan 0.000 0.452 983 W N 2.686 123.924 121.300 -0.104 0.000 2.365 983 W HA 0.639 5.298 4.660 -0.000 0.000 0.316 983 W C -0.390 176.037 176.519 -0.153 0.000 1.164 983 W CA -0.673 56.603 57.345 -0.114 0.000 1.204 983 W CB 0.756 30.153 29.460 -0.105 0.000 1.213 983 W HN 0.347 nan 8.180 nan 0.000 0.539 984 L N 4.928 126.186 121.223 0.059 0.000 2.356 984 L HA 0.481 4.821 4.340 -0.000 0.000 0.277 984 L C -0.818 175.979 176.870 -0.122 0.000 0.996 984 L CA -0.354 54.410 54.840 -0.126 0.000 0.822 984 L CB 0.912 42.777 42.059 -0.324 0.000 1.256 984 L HN 0.338 nan 8.230 nan 0.000 0.413 985 N N 6.622 125.235 118.700 -0.145 0.000 2.407 985 N HA 0.466 5.206 4.740 -0.000 0.000 0.277 985 N C -1.211 174.165 175.510 -0.223 0.000 0.995 985 N CA -0.360 52.594 53.050 -0.160 0.000 0.903 985 N CB 2.441 40.858 38.487 -0.117 0.000 1.218 985 N HN 0.464 nan 8.380 nan 0.000 0.487 986 I N 2.191 122.578 120.570 -0.306 0.000 2.382 986 I HA 0.218 4.388 4.170 -0.000 0.000 0.286 986 I C -0.648 175.270 176.117 -0.330 0.000 1.002 986 I CA -0.521 60.544 61.300 -0.393 0.000 1.135 986 I CB 1.435 39.059 38.000 -0.628 0.000 1.288 986 I HN 0.232 nan 8.210 nan 0.000 0.448 987 D N 5.067 125.322 120.400 -0.241 0.000 2.217 987 D HA 0.263 4.903 4.640 -0.000 0.000 0.243 987 D C 0.946 176.962 176.300 -0.473 0.000 1.054 987 D CA -0.284 53.520 54.000 -0.326 0.000 0.838 987 D CB 2.612 43.300 40.800 -0.187 0.000 1.162 987 D HN 0.697 nan 8.370 nan 0.000 0.472 988 G N 1.039 109.310 108.800 -0.882 0.000 2.494 988 G HA2 0.068 4.028 3.960 -0.000 0.000 0.216 988 G HA3 0.068 4.028 3.960 -0.000 0.000 0.216 988 G C 0.065 174.002 174.900 -1.605 0.000 1.140 988 G CA 0.347 44.713 45.100 -1.222 0.000 0.801 988 G HN 0.372 nan 8.290 nan 0.000 0.536 989 F N -1.370 118.406 119.950 -0.290 0.000 2.628 989 F HA 0.515 5.041 4.527 -0.000 0.000 0.309 989 F C -0.645 175.046 175.800 -0.182 0.000 1.108 989 F CA -1.232 56.660 58.000 -0.179 0.000 0.971 989 F CB 1.918 40.750 39.000 -0.280 0.000 1.279 989 F HN -0.098 nan 8.300 nan 0.000 0.441 990 H N 2.574 121.638 119.070 -0.010 0.000 2.768 990 H HA 0.507 5.063 4.556 -0.000 0.000 0.371 990 H C -1.273 174.071 175.328 0.027 0.000 1.151 990 H CA -0.779 55.244 56.048 -0.041 0.000 1.165 990 H CB 2.638 32.365 29.762 -0.058 0.000 1.722 990 H HN 0.803 nan 8.280 nan 0.000 0.543 991 M N 1.947 121.612 119.600 0.109 0.000 2.274 991 M HA 0.337 4.817 4.480 -0.000 0.000 0.344 991 M C 0.530 176.976 176.300 0.244 0.000 1.161 991 M CA -0.282 55.097 55.300 0.133 0.000 1.126 991 M CB 0.646 33.214 32.600 -0.053 0.000 1.522 991 M HN 0.752 nan 8.290 nan 0.000 0.461 992 G N 2.899 111.817 108.800 0.197 0.000 2.630 992 G HA2 0.241 4.201 3.960 -0.000 0.000 0.236 992 G HA3 0.241 4.201 3.960 -0.000 0.000 0.236 992 G C 0.569 175.458 174.900 -0.019 0.000 1.248 992 G CA -0.458 44.672 45.100 0.050 0.000 0.844 992 G HN 0.955 nan 8.290 nan 0.000 0.588 993 I N -0.823 119.670 120.570 -0.129 0.000 3.462 993 I HA 0.385 4.554 4.170 -0.000 0.000 0.290 993 I C 1.433 177.483 176.117 -0.111 0.000 1.236 993 I CA 0.352 61.545 61.300 -0.178 0.000 1.418 993 I CB -0.674 37.107 38.000 -0.364 0.000 1.102 993 I HN 0.913 nan 8.210 nan 0.000 0.441 994 G N 1.759 110.509 108.800 -0.085 0.000 2.569 994 G HA2 0.014 3.973 3.960 -0.000 0.000 0.259 994 G HA3 0.014 3.973 3.960 -0.000 0.000 0.259 994 G C 0.614 175.494 174.900 -0.033 0.000 1.263 994 G CA 0.278 45.364 45.100 -0.023 0.000 0.928 994 G HN 1.464 nan 8.290 nan 0.000 0.572 995 G N -2.230 106.560 108.800 -0.016 0.000 2.174 995 G HA2 0.063 4.023 3.960 -0.000 0.000 0.140 995 G HA3 0.063 4.023 3.960 -0.000 0.000 0.140 995 G C 0.497 175.408 174.900 0.018 0.000 1.031 995 G CA 0.945 46.027 45.100 -0.029 0.000 0.728 995 G HN 0.950 nan 8.290 nan 0.000 0.496 996 D N 1.088 121.519 120.400 0.052 0.000 2.265 996 D HA 0.156 4.796 4.640 -0.000 0.000 0.208 996 D C 0.917 177.199 176.300 -0.031 0.000 0.977 996 D CA 2.087 56.172 54.000 0.143 0.000 0.871 996 D CB 0.171 41.074 40.800 0.171 0.000 0.925 996 D HN 0.876 nan 8.370 nan 0.000 0.485 997 D N -3.970 116.225 120.400 -0.343 0.000 2.720 997 D HA 0.183 4.823 4.640 -0.000 0.000 0.239 997 D C -0.649 175.043 176.300 -1.014 0.000 1.218 997 D CA -0.653 52.748 54.000 -0.997 0.000 0.748 997 D CB 0.621 40.546 40.800 -1.459 0.000 1.387 997 D HN -0.314 nan 8.370 nan 0.000 0.438 998 S N 0.021 114.848 115.700 -1.455 0.000 2.597 998 S HA 0.185 4.655 4.470 -0.000 0.000 0.224 998 S C -0.079 174.349 174.600 -0.286 0.000 0.955 998 S CA -0.412 57.406 58.200 -0.638 0.000 0.933 998 S CB -0.472 62.573 63.200 -0.257 0.000 0.788 998 S HN 0.618 nan 8.310 nan 0.000 0.488 999 W N 1.353 122.565 121.300 -0.148 0.000 2.684 999 W HA 0.569 5.229 4.660 -0.000 0.000 0.381 999 W C 0.139 176.594 176.519 -0.107 0.000 0.975 999 W CA -0.528 56.751 57.345 -0.111 0.000 1.789 999 W CB -0.579 28.750 29.460 -0.217 0.000 1.161 999 W HN 0.152 nan 8.180 nan 0.000 0.564 1000 S N -0.856 114.688 115.700 -0.260 0.000 2.596 1000 S HA 0.658 5.128 4.470 -0.000 0.000 0.270 1000 S C -3.089 171.418 174.600 -0.154 0.000 1.155 1000 S CA -1.659 56.452 58.200 -0.148 0.000 0.827 1000 S CB 1.508 64.663 63.200 -0.074 0.000 1.130 1000 S HN -0.223 nan 8.310 nan 0.000 0.467 1001 P HA 0.214 nan 4.420 nan 0.000 0.262 1001 P C 0.208 177.505 177.300 -0.006 0.000 1.199 1001 P CA -0.003 63.036 63.100 -0.102 0.000 0.763 1001 P CB 0.651 32.190 31.700 -0.268 0.000 0.790 1002 S N 0.482 116.225 115.700 0.073 0.000 2.632 1002 S HA 0.098 4.568 4.470 -0.000 0.000 0.237 1002 S C 0.454 175.140 174.600 0.143 0.000 1.037 1002 S CA -0.279 57.960 58.200 0.066 0.000 1.009 1002 S CB -0.116 63.082 63.200 -0.004 0.000 0.974 1002 S HN 0.153 nan 8.310 nan 0.000 0.544 1003 V N 4.755 124.810 119.914 0.236 0.000 2.421 1003 V HA 0.259 4.379 4.120 -0.000 0.000 0.271 1003 V C 0.789 177.064 176.094 0.302 0.000 1.031 1003 V CA -0.371 62.083 62.300 0.257 0.000 1.032 1003 V CB -0.173 31.806 31.823 0.262 0.000 1.009 1003 V HN 0.590 nan 8.190 nan 0.000 0.477 1004 S N 4.479 120.364 115.700 0.308 0.000 2.584 1004 S HA 0.414 4.884 4.470 -0.000 0.000 0.270 1004 S C 1.555 176.313 174.600 0.263 0.000 1.346 1004 S CA -0.121 58.242 58.200 0.271 0.000 1.018 1004 S CB 1.242 64.583 63.200 0.236 0.000 0.899 1004 S HN 1.020 nan 8.310 nan 0.000 0.542 1005 A N 1.747 124.668 122.820 0.169 0.000 1.896 1005 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 1005 A C 1.926 179.532 177.584 0.037 0.000 1.206 1005 A CA 2.280 54.394 52.037 0.129 0.000 0.647 1005 A CB -1.563 17.490 19.000 0.090 0.000 0.828 1005 A HN 0.977 nan 8.150 nan 0.000 0.455 1006 E N -1.097 119.035 120.200 -0.113 0.000 2.333 1006 E HA -0.177 4.173 4.350 -0.000 0.000 0.200 1006 E C 0.730 176.968 176.600 -0.603 0.000 1.010 1006 E CA 1.362 57.519 56.400 -0.404 0.000 0.841 1006 E CB -0.380 28.900 29.700 -0.700 0.000 0.757 1006 E HN 0.733 nan 8.360 nan 0.000 0.508 1007 F N 0.535 120.551 119.950 0.111 0.000 2.654 1007 F HA 0.255 4.782 4.527 -0.000 0.000 0.303 1007 F C 0.191 176.049 175.800 0.097 0.000 1.099 1007 F CA -0.341 57.723 58.000 0.107 0.000 1.270 1007 F CB 0.285 39.346 39.000 0.103 0.000 1.024 1007 F HN -0.175 nan 8.300 nan 0.000 0.548 1008 Q N 1.181 121.098 119.800 0.195 0.000 2.271 1008 Q HA 0.414 4.754 4.340 -0.000 0.000 0.258 1008 Q C -0.216 175.822 176.000 0.063 0.000 0.936 1008 Q CA -0.518 55.393 55.803 0.181 0.000 0.909 1008 Q CB 2.073 31.031 28.738 0.367 0.000 1.253 1008 Q HN 0.192 nan 8.270 nan 0.000 0.440 1009 L N 2.835 124.054 121.223 -0.006 0.000 2.505 1009 L HA 0.024 4.364 4.340 -0.000 0.000 0.279 1009 L C 0.661 177.424 176.870 -0.179 0.000 1.211 1009 L CA 0.177 54.961 54.840 -0.093 0.000 1.059 1009 L CB -0.601 41.298 42.059 -0.266 0.000 1.340 1009 L HN 0.742 nan 8.230 nan 0.000 0.447 1010 S N -0.722 114.884 115.700 -0.157 0.000 2.629 1010 S HA 0.159 4.628 4.470 -0.000 0.000 0.236 1010 S C 1.575 176.113 174.600 -0.104 0.000 1.010 1010 S CA 0.165 58.130 58.200 -0.392 0.000 0.981 1010 S CB 0.822 63.803 63.200 -0.365 0.000 0.919 1010 S HN 0.528 nan 8.310 nan 0.000 0.514 1011 A N 1.583 124.398 122.820 -0.007 0.000 2.070 1011 A HA 0.444 4.764 4.320 -0.000 0.000 0.220 1011 A C 2.094 179.576 177.584 -0.170 0.000 1.159 1011 A CA 1.437 53.365 52.037 -0.182 0.000 0.656 1011 A CB -1.233 17.448 19.000 -0.532 0.000 0.800 1011 A HN 1.543 nan 8.150 nan 0.000 0.453 1012 G N -1.299 107.482 108.800 -0.033 0.000 2.579 1012 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.222 1012 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.222 1012 G C 0.429 175.326 174.900 -0.005 0.000 1.201 1012 G CA 0.238 45.349 45.100 0.018 0.000 0.710 1012 G HN 0.677 nan 8.290 nan 0.000 0.516 1013 R N 0.007 120.362 120.500 -0.241 0.000 2.439 1013 R HA 0.650 4.990 4.340 -0.000 0.000 0.310 1013 R C -1.390 174.544 176.300 -0.609 0.000 0.955 1013 R CA -0.561 55.410 56.100 -0.214 0.000 0.853 1013 R CB 1.315 31.544 30.300 -0.118 0.000 1.171 1013 R HN 0.271 nan 8.270 nan 0.000 0.449 1014 Y N 0.526 120.793 120.300 -0.056 0.000 2.446 1014 Y HA 0.344 4.894 4.550 -0.000 0.000 0.338 1014 Y C -0.022 175.993 175.900 0.191 0.000 1.055 1014 Y CA -0.773 57.252 58.100 -0.124 0.000 1.101 1014 Y CB 1.877 40.157 38.460 -0.299 0.000 1.221 1014 Y HN 0.563 nan 8.280 nan 0.000 0.460 1015 H N 2.619 121.898 119.070 0.347 0.000 2.679 1015 H HA 0.576 5.132 4.556 -0.000 0.000 0.360 1015 H C -1.709 173.982 175.328 0.605 0.000 1.105 1015 H CA -0.782 55.490 56.048 0.375 0.000 1.196 1015 H CB 1.135 31.007 29.762 0.184 0.000 1.636 1015 H HN 0.557 nan 8.280 nan 0.000 0.531 1016 Y N 1.207 121.330 120.300 -0.294 0.000 2.625 1016 Y HA 0.583 5.133 4.550 -0.000 0.000 0.338 1016 Y C -1.887 173.870 175.900 -0.238 0.000 1.123 1016 Y CA -1.195 56.837 58.100 -0.113 0.000 1.046 1016 Y CB 1.441 39.934 38.460 0.055 0.000 1.299 1016 Y HN 0.693 nan 8.280 nan 0.000 0.464 1017 Q N 2.089 121.902 119.800 0.023 0.000 2.284 1017 Q HA 0.663 5.003 4.340 -0.000 0.000 0.269 1017 Q C -1.903 174.185 176.000 0.146 0.000 1.026 1017 Q CA -0.772 55.035 55.803 0.008 0.000 0.831 1017 Q CB 3.434 32.236 28.738 0.107 0.000 1.322 1017 Q HN 0.792 nan 8.270 nan 0.000 0.419 1018 L N 1.556 122.848 121.223 0.116 0.000 2.350 1018 L HA 0.762 5.102 4.340 -0.000 0.000 0.260 1018 L C -1.205 175.793 176.870 0.215 0.000 1.015 1018 L CA -1.149 53.803 54.840 0.187 0.000 0.821 1018 L CB 2.502 44.647 42.059 0.144 0.000 1.370 1018 L HN 0.390 nan 8.230 nan 0.000 0.416 1019 V N 1.002 121.079 119.914 0.271 0.000 2.588 1019 V HA 0.442 4.561 4.120 -0.000 0.000 0.304 1019 V C -1.495 174.814 176.094 0.357 0.000 1.042 1019 V CA -0.492 61.971 62.300 0.271 0.000 0.877 1019 V CB 2.291 34.244 31.823 0.217 0.000 0.996 1019 V HN 0.652 nan 8.190 nan 0.000 0.425 1020 W N 7.031 128.404 121.300 0.121 0.000 2.554 1020 W HA 0.742 5.402 4.660 -0.000 0.000 0.324 1020 W C -0.540 175.987 176.519 0.013 0.000 1.018 1020 W CA -1.325 56.033 57.345 0.023 0.000 1.243 1020 W CB 1.389 30.920 29.460 0.118 0.000 1.345 1020 W HN 0.883 nan 8.180 nan 0.000 0.441 1021 C N 4.312 123.863 119.300 0.418 0.000 3.291 1021 C HA 0.827 5.286 4.460 -0.000 0.000 0.316 1021 C C -0.329 174.707 174.990 0.078 0.000 1.391 1021 C CA -0.609 58.519 59.018 0.183 0.000 1.394 1021 C CB 1.621 29.436 27.740 0.125 0.000 1.744 1021 C HN 0.638 nan 8.230 nan 0.000 0.461 1022 Q N 0.890 120.674 119.800 -0.027 0.000 3.018 1022 Q HA 0.917 5.257 4.340 -0.000 0.000 0.209 1022 Q C -0.696 175.255 176.000 -0.081 0.000 1.036 1022 Q CA -0.459 55.266 55.803 -0.132 0.000 0.886 1022 Q CB 0.838 29.431 28.738 -0.243 0.000 2.058 1022 Q HN 0.847 nan 8.270 nan 0.000 0.452 1023 K N 0.000 120.334 120.400 -0.109 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.244 56.287 -0.072 0.000 0.838 1023 K CB 0.000 32.471 32.500 -0.049 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543