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 1jyx_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.108 176.300 -0.320 0.000 0.893 13 R CA 0.000 55.978 56.100 -0.203 0.000 0.921 13 R CB 0.000 30.186 30.300 -0.190 0.000 0.687 14 R N 1.805 122.026 120.500 -0.464 0.000 3.034 14 R HA -0.183 4.173 4.340 0.026 0.000 0.237 14 R C -0.115 175.680 176.300 -0.841 0.000 0.861 14 R CA 0.815 56.248 56.100 -1.113 0.000 0.588 14 R CB -1.055 28.685 30.300 -0.933 0.000 1.035 14 R HN 0.247 nan 8.270 nan 0.000 0.488 15 D N -0.253 119.880 120.400 -0.445 0.000 2.309 15 D HA -0.177 4.479 4.640 0.026 0.000 0.212 15 D C 1.548 177.809 176.300 -0.065 0.000 0.968 15 D CA 1.476 55.282 54.000 -0.324 0.000 0.882 15 D CB -0.105 40.309 40.800 -0.643 0.000 0.918 15 D HN 0.735 nan 8.370 nan 0.000 0.503 16 W N 1.097 122.428 121.300 0.051 0.000 3.292 16 W HA 0.229 4.904 4.660 0.025 0.000 0.263 16 W C 0.514 177.136 176.519 0.172 0.000 1.318 16 W CA -0.331 57.141 57.345 0.210 0.000 1.663 16 W CB -0.203 29.427 29.460 0.283 0.000 1.114 16 W HN -0.202 nan 8.180 nan 0.000 0.706 17 E N 1.241 121.318 120.200 -0.204 0.000 2.989 17 E HA 0.054 4.420 4.350 0.026 0.000 0.207 17 E C -0.669 175.808 176.600 -0.206 0.000 0.989 17 E CA -0.222 56.088 56.400 -0.151 0.000 1.186 17 E CB -0.166 29.441 29.700 -0.156 0.000 1.141 17 E HN 0.036 nan 8.360 nan 0.000 0.454 18 N N 1.001 119.609 118.700 -0.152 0.000 2.571 18 N HA 0.131 4.886 4.740 0.026 0.000 0.286 18 N C -2.388 172.989 175.510 -0.220 0.000 1.138 18 N CA -1.973 50.947 53.050 -0.217 0.000 0.859 18 N CB 1.550 39.919 38.487 -0.197 0.000 1.414 18 N HN -0.197 nan 8.380 nan 0.000 0.529 19 P HA 0.090 nan 4.420 nan 0.000 0.234 19 P C 1.077 178.140 177.300 -0.395 0.000 1.167 19 P CA 0.511 63.283 63.100 -0.548 0.000 0.763 19 P CB 0.140 31.004 31.700 -1.393 0.000 0.835 20 G N -0.215 108.397 108.800 -0.313 0.000 2.511 20 G HA2 0.013 3.989 3.960 0.026 0.000 0.217 20 G HA3 0.013 3.989 3.960 0.026 0.000 0.217 20 G C 0.362 175.185 174.900 -0.129 0.000 1.133 20 G CA 0.220 45.190 45.100 -0.217 0.000 0.792 20 G HN 0.216 nan 8.290 nan 0.000 0.539 21 V N 1.555 121.412 119.914 -0.095 0.000 2.326 21 V HA 0.336 4.472 4.120 0.026 0.000 0.281 21 V C 0.828 176.979 176.094 0.095 0.000 1.015 21 V CA 0.166 62.460 62.300 -0.009 0.000 0.823 21 V CB 1.312 33.113 31.823 -0.037 0.000 1.009 21 V HN 0.326 nan 8.190 nan 0.000 0.436 22 T N 0.765 115.373 114.554 0.091 0.000 3.010 22 T HA 0.372 4.737 4.350 0.026 0.000 0.257 22 T C 0.222 174.975 174.700 0.089 0.000 1.020 22 T CA 0.044 62.203 62.100 0.098 0.000 0.938 22 T CB 0.305 69.181 68.868 0.014 0.000 1.049 22 T HN 0.708 nan 8.240 nan 0.000 0.522 23 Q N 0.227 120.132 119.800 0.174 0.000 2.776 23 Q HA 0.674 5.029 4.340 0.026 0.000 0.289 23 Q C -2.299 173.845 176.000 0.240 0.000 0.912 23 Q CA -1.079 54.827 55.803 0.171 0.000 0.789 23 Q CB 0.869 29.622 28.738 0.024 0.000 1.498 23 Q HN 0.212 nan 8.270 nan 0.000 0.408 24 L N 1.764 123.153 121.223 0.276 0.000 2.470 24 L HA 0.599 4.955 4.340 0.026 0.000 0.268 24 L C -0.632 176.358 176.870 0.201 0.000 0.964 24 L CA -0.889 54.106 54.840 0.258 0.000 0.839 24 L CB 1.931 44.243 42.059 0.421 0.000 1.276 24 L HN 0.848 nan 8.230 nan 0.000 0.403 25 N N 0.928 119.715 118.700 0.146 0.000 2.753 25 N HA -0.211 4.544 4.740 0.026 0.000 0.251 25 N C 0.173 175.771 175.510 0.147 0.000 1.097 25 N CA 0.853 53.978 53.050 0.126 0.000 0.786 25 N CB -0.802 37.713 38.487 0.047 0.000 1.137 25 N HN 0.675 nan 8.380 nan 0.000 0.566 26 R N 0.964 121.483 120.500 0.031 0.000 2.441 26 R HA 0.405 4.760 4.340 0.026 0.000 0.284 26 R C 0.411 176.581 176.300 -0.216 0.000 1.070 26 R CA -0.349 55.562 56.100 -0.315 0.000 1.047 26 R CB 0.544 30.638 30.300 -0.344 0.000 1.016 26 R HN 0.133 nan 8.270 nan 0.000 0.477 27 L N 3.065 124.131 121.223 -0.262 0.000 2.456 27 L HA 0.354 4.710 4.340 0.026 0.000 0.257 27 L C 0.711 177.528 176.870 -0.089 0.000 1.162 27 L CA -0.647 54.127 54.840 -0.110 0.000 0.808 27 L CB 0.953 42.971 42.059 -0.068 0.000 1.136 27 L HN 0.806 nan 8.230 nan 0.000 0.466 28 A N 1.264 124.071 122.820 -0.022 0.000 2.492 28 A HA 0.464 4.799 4.320 0.026 0.000 0.236 28 A C 0.269 177.849 177.584 -0.007 0.000 1.078 28 A CA 0.131 52.161 52.037 -0.011 0.000 0.773 28 A CB 0.096 19.116 19.000 0.034 0.000 1.023 28 A HN 0.793 nan 8.150 nan 0.000 0.504 29 A N 0.875 123.650 122.820 -0.075 0.000 2.304 29 A HA 0.717 5.053 4.320 0.026 0.000 0.271 29 A C 0.028 177.517 177.584 -0.159 0.000 1.091 29 A CA 0.370 52.285 52.037 -0.203 0.000 0.812 29 A CB 0.033 18.910 19.000 -0.205 0.000 1.056 29 A HN 1.920 nan 8.150 nan 0.000 0.489 30 H N -2.196 116.714 119.070 -0.266 0.000 2.950 30 H HA 0.633 5.204 4.556 0.026 0.000 0.307 30 H C -3.409 171.629 175.328 -0.483 0.000 1.403 30 H CA -1.809 54.012 56.048 -0.377 0.000 1.145 30 H CB 0.103 29.528 29.762 -0.562 0.000 1.844 30 H HN 0.372 nan 8.280 nan 0.000 0.515 31 P HA 0.213 nan 4.420 nan 0.000 0.274 31 P C -2.581 174.577 177.300 -0.237 0.000 1.246 31 P CA -1.410 61.496 63.100 -0.325 0.000 0.795 31 P CB -0.257 31.174 31.700 -0.449 0.000 1.006 32 P HA 0.019 nan 4.420 nan 0.000 0.261 32 P C -0.746 176.765 177.300 0.353 0.000 1.183 32 P CA 1.198 64.350 63.100 0.086 0.000 0.761 32 P CB -0.136 31.647 31.700 0.139 0.000 0.785 33 F N 1.256 121.312 119.950 0.176 0.000 2.598 33 F HA 0.618 5.160 4.527 0.026 0.000 0.327 33 F C 0.939 176.679 175.800 -0.101 0.000 1.057 33 F CA -1.087 56.962 58.000 0.082 0.000 0.957 33 F CB 2.229 41.233 39.000 0.007 0.000 1.278 33 F HN 0.207 nan 8.300 nan 0.000 0.484 34 A N 0.259 123.004 122.820 -0.124 0.000 2.701 34 A HA 0.249 4.584 4.320 0.026 0.000 0.241 34 A C 0.493 177.788 177.584 -0.482 0.000 1.231 34 A CA 0.359 52.100 52.037 -0.494 0.000 1.003 34 A CB -0.106 18.176 19.000 -1.196 0.000 1.281 34 A HN 0.732 nan 8.150 nan 0.000 0.600 35 S N 0.600 116.121 115.700 -0.299 0.000 3.524 35 S HA -0.148 4.337 4.470 0.026 0.000 0.377 35 S C 0.019 174.551 174.600 -0.115 0.000 0.949 35 S CA 0.473 58.556 58.200 -0.195 0.000 1.264 35 S CB -1.477 61.608 63.200 -0.192 0.000 0.918 35 S HN 0.473 nan 8.310 nan 0.000 0.517 36 W N 1.922 123.196 121.300 -0.042 0.000 2.150 36 W HA 0.290 4.965 4.660 0.025 0.000 0.341 36 W C 1.368 177.864 176.519 -0.039 0.000 1.276 36 W CA -0.648 56.680 57.345 -0.027 0.000 1.238 36 W CB 0.325 29.768 29.460 -0.028 0.000 1.128 36 W HN 0.338 nan 8.180 nan 0.000 0.581 37 R N 1.646 122.272 120.500 0.210 0.000 2.543 37 R HA 0.077 4.433 4.340 0.026 0.000 0.323 37 R C -0.096 176.257 176.300 0.087 0.000 1.002 37 R CA -0.115 56.049 56.100 0.107 0.000 1.106 37 R CB -0.137 30.197 30.300 0.055 0.000 1.280 37 R HN 0.350 nan 8.270 nan 0.000 0.549 38 N N 0.378 119.147 118.700 0.114 0.000 2.519 38 N HA 0.115 4.870 4.740 0.026 0.000 0.286 38 N C -0.033 175.440 175.510 -0.060 0.000 1.079 38 N CA 0.018 53.084 53.050 0.028 0.000 0.878 38 N CB 1.696 40.202 38.487 0.031 0.000 1.375 38 N HN -0.249 nan 8.380 nan 0.000 0.514 39 S N 2.424 118.068 115.700 -0.092 0.000 2.383 39 S HA -0.189 4.297 4.470 0.026 0.000 0.229 39 S C 1.415 175.831 174.600 -0.306 0.000 1.030 39 S CA 1.323 59.419 58.200 -0.173 0.000 1.002 39 S CB -0.015 63.114 63.200 -0.119 0.000 0.829 39 S HN 0.736 nan 8.310 nan 0.000 0.467 40 E N 1.522 121.564 120.200 -0.264 0.000 2.110 40 E HA -0.140 4.225 4.350 0.026 0.000 0.193 40 E C 1.905 178.275 176.600 -0.383 0.000 0.988 40 E CA 1.325 57.533 56.400 -0.319 0.000 0.804 40 E CB -0.203 29.370 29.700 -0.211 0.000 0.745 40 E HN 0.568 nan 8.360 nan 0.000 0.458 41 E N -0.260 119.728 120.200 -0.354 0.000 2.077 41 E HA -0.181 4.185 4.350 0.026 0.000 0.193 41 E C 2.022 177.975 176.600 -1.079 0.000 0.989 41 E CA 0.942 57.076 56.400 -0.443 0.000 0.800 41 E CB -0.196 29.406 29.700 -0.163 0.000 0.746 41 E HN 0.377 nan 8.360 nan 0.000 0.452 42 A N 1.684 123.627 122.820 -1.461 0.000 1.898 42 A HA -0.195 4.141 4.320 0.026 0.000 0.216 42 A C 2.120 179.059 177.584 -1.076 0.000 1.181 42 A CA 1.402 52.201 52.037 -2.065 0.000 0.620 42 A CB -0.459 17.924 19.000 -1.028 0.000 0.819 42 A HN 0.082 nan 8.150 nan 0.000 0.442 43 R N -0.102 119.963 120.500 -0.725 0.000 2.091 43 R HA -0.148 4.207 4.340 0.026 0.000 0.238 43 R C 1.954 177.976 176.300 -0.462 0.000 1.136 43 R CA 2.171 57.909 56.100 -0.604 0.000 0.959 43 R CB -0.497 29.311 30.300 -0.820 0.000 0.856 43 R HN 0.614 nan 8.270 nan 0.000 0.437 44 T N -2.766 111.534 114.554 -0.423 0.000 3.129 44 T HA 0.052 4.418 4.350 0.026 0.000 0.251 44 T C 0.270 174.875 174.700 -0.160 0.000 1.117 44 T CA 0.536 62.485 62.100 -0.252 0.000 1.034 44 T CB 0.072 68.819 68.868 -0.202 0.000 0.968 44 T HN 0.391 nan 8.240 nan 0.000 0.526 45 D N 0.583 120.846 120.400 -0.228 0.000 2.945 45 D HA -0.156 4.499 4.640 0.026 0.000 0.225 45 D C 0.116 176.532 176.300 0.193 0.000 1.158 45 D CA 0.469 54.490 54.000 0.036 0.000 0.805 45 D CB -1.179 39.683 40.800 0.104 0.000 1.098 45 D HN 0.594 nan 8.370 nan 0.000 0.426 46 R N 0.140 120.726 120.500 0.143 0.000 2.649 46 R HA 0.516 4.872 4.340 0.026 0.000 0.270 46 R C -2.040 174.532 176.300 0.454 0.000 1.105 46 R CA -1.259 54.977 56.100 0.226 0.000 1.193 46 R CB 0.209 30.587 30.300 0.130 0.000 1.120 46 R HN 0.061 nan 8.270 nan 0.000 0.561 47 P HA -0.032 nan 4.420 nan 0.000 0.269 47 P C -0.887 176.566 177.300 0.255 0.000 1.217 47 P CA 0.037 63.277 63.100 0.233 0.000 0.783 47 P CB 0.759 32.545 31.700 0.145 0.000 0.898 48 S N 0.588 116.307 115.700 0.032 0.000 2.473 48 S HA 0.200 4.686 4.470 0.026 0.000 0.307 48 S C 0.857 175.465 174.600 0.013 0.000 1.094 48 S CA -0.451 57.693 58.200 -0.093 0.000 1.070 48 S CB 0.850 63.693 63.200 -0.594 0.000 1.019 48 S HN 0.208 nan 8.310 nan 0.000 0.480 49 Q N 2.393 122.243 119.800 0.083 0.000 2.364 49 Q HA -0.043 4.312 4.340 0.026 0.000 0.209 49 Q C 1.148 177.274 176.000 0.210 0.000 0.977 49 Q CA 1.348 57.234 55.803 0.139 0.000 0.885 49 Q CB -0.062 28.757 28.738 0.136 0.000 0.941 49 Q HN 0.639 nan 8.270 nan 0.000 0.464 50 Q N -0.734 119.106 119.800 0.067 0.000 2.360 50 Q HA 0.199 4.555 4.340 0.026 0.000 0.202 50 Q C -0.829 175.218 176.000 0.079 0.000 0.915 50 Q CA 0.142 55.939 55.803 -0.010 0.000 0.943 50 Q CB 0.673 29.301 28.738 -0.184 0.000 1.064 50 Q HN 0.111 nan 8.270 nan 0.000 0.511 51 L N 0.694 121.988 121.223 0.119 0.000 2.377 51 L HA 0.451 4.806 4.340 0.026 0.000 0.270 51 L C -1.250 175.714 176.870 0.156 0.000 0.991 51 L CA -0.421 54.485 54.840 0.111 0.000 0.851 51 L CB 1.120 43.152 42.059 -0.045 0.000 1.218 51 L HN -0.101 nan 8.230 nan 0.000 0.420 52 R N 2.454 123.078 120.500 0.207 0.000 2.532 52 R HA 0.601 4.956 4.340 0.026 0.000 0.295 52 R C -0.535 175.785 176.300 0.033 0.000 0.968 52 R CA -0.711 55.446 56.100 0.096 0.000 0.916 52 R CB 2.019 32.327 30.300 0.012 0.000 1.124 52 R HN 0.658 nan 8.270 nan 0.000 0.463 53 S N 2.305 118.014 115.700 0.015 0.000 2.525 53 S HA 0.274 4.760 4.470 0.026 0.000 0.278 53 S C 0.575 175.167 174.600 -0.014 0.000 1.234 53 S CA -0.657 57.544 58.200 0.001 0.000 1.058 53 S CB 0.547 63.759 63.200 0.020 0.000 0.983 53 S HN 0.568 nan 8.310 nan 0.000 0.495 54 L N 3.713 124.923 121.223 -0.021 0.000 2.818 54 L HA 0.313 4.668 4.340 0.026 0.000 0.243 54 L C 0.202 177.193 176.870 0.202 0.000 1.185 54 L CA -0.369 54.471 54.840 -0.000 0.000 0.988 54 L CB -0.287 41.706 42.059 -0.110 0.000 1.292 54 L HN 0.520 nan 8.230 nan 0.000 0.519 55 N N 0.973 119.750 118.700 0.128 0.000 2.467 55 N HA 0.549 5.304 4.740 0.026 0.000 0.262 55 N C 0.636 176.269 175.510 0.204 0.000 1.234 55 N CA 0.899 54.044 53.050 0.159 0.000 0.952 55 N CB 1.490 40.003 38.487 0.044 0.000 1.158 55 N HN 0.267 nan 8.380 nan 0.000 0.463 56 G N 0.282 109.223 108.800 0.235 0.000 2.295 56 G HA2 -0.076 3.900 3.960 0.026 0.000 0.155 56 G HA3 -0.076 3.900 3.960 0.026 0.000 0.155 56 G C -1.556 173.540 174.900 0.327 0.000 1.307 56 G CA -0.744 44.484 45.100 0.213 0.000 1.140 56 G HN 0.464 nan 8.290 nan 0.000 0.470 57 E N 0.171 120.542 120.200 0.286 0.000 2.167 57 E HA 0.492 4.857 4.350 0.026 0.000 0.284 57 E C -1.064 175.780 176.600 0.406 0.000 1.016 57 E CA -0.239 56.343 56.400 0.303 0.000 0.817 57 E CB 1.155 30.956 29.700 0.169 0.000 1.080 57 E HN 0.354 nan 8.360 nan 0.000 0.397 58 W N 1.589 122.974 121.300 0.143 0.000 2.894 58 W HA 0.424 5.099 4.660 0.026 0.000 0.345 58 W C 0.077 176.722 176.519 0.209 0.000 1.152 58 W CA -0.767 56.694 57.345 0.193 0.000 1.089 58 W CB 0.792 30.417 29.460 0.276 0.000 1.454 58 W HN 0.183 nan 8.180 nan 0.000 0.589 59 R N 1.330 122.119 120.500 0.481 0.000 2.474 59 R HA 0.649 5.004 4.340 0.026 0.000 0.295 59 R C -1.558 174.991 176.300 0.415 0.000 0.980 59 R CA -0.935 55.377 56.100 0.355 0.000 0.934 59 R CB 1.414 31.872 30.300 0.263 0.000 1.101 59 R HN 0.464 nan 8.270 nan 0.000 0.469 60 F N 0.287 120.275 119.950 0.065 0.000 2.615 60 F HA 0.600 5.143 4.527 0.026 0.000 0.312 60 F C -1.676 173.960 175.800 -0.273 0.000 1.119 60 F CA -0.628 57.263 58.000 -0.181 0.000 0.979 60 F CB 1.902 40.694 39.000 -0.347 0.000 1.266 60 F HN 0.632 nan 8.300 nan 0.000 0.444 61 A N 4.490 126.501 122.820 -1.347 0.000 2.422 61 A HA 0.599 4.934 4.320 0.026 0.000 0.302 61 A C -2.360 174.233 177.584 -1.652 0.000 1.041 61 A CA -0.539 50.792 52.037 -1.177 0.000 0.708 61 A CB 0.797 19.394 19.000 -0.672 0.000 1.257 61 A HN 0.923 nan 8.150 nan 0.000 0.414 62 W N 2.582 122.991 121.300 -1.486 0.000 2.438 62 W HA 0.733 5.408 4.660 0.025 0.000 0.324 62 W C -1.662 174.217 176.519 -1.065 0.000 1.119 62 W CA -0.191 56.451 57.345 -1.172 0.000 1.221 62 W CB 0.942 29.997 29.460 -0.675 0.000 1.253 62 W HN 0.498 nan 8.180 nan 0.000 0.555 63 F N 5.897 125.128 119.950 -1.200 0.000 2.603 63 F HA 0.374 4.917 4.527 0.025 0.000 0.317 63 F C -1.286 173.518 175.800 -1.659 0.000 1.066 63 F CA -2.166 55.237 58.000 -0.994 0.000 0.941 63 F CB 1.845 40.447 39.000 -0.663 0.000 1.291 63 F HN 0.205 nan 8.300 nan 0.000 0.472 64 P HA 0.161 nan 4.420 nan 0.000 0.231 64 P C -0.433 176.725 177.300 -0.237 0.000 1.168 64 P CA 0.754 63.554 63.100 -0.500 0.000 0.779 64 P CB 0.783 32.514 31.700 0.051 0.000 0.844 65 A N -0.488 122.204 122.820 -0.213 0.000 2.599 65 A HA 0.505 4.841 4.320 0.026 0.000 0.294 65 A C -2.446 175.033 177.584 -0.175 0.000 1.055 65 A CA -0.958 51.010 52.037 -0.116 0.000 0.683 65 A CB 0.374 19.378 19.000 0.007 0.000 1.278 65 A HN -0.302 nan 8.150 nan 0.000 0.412 66 P HA -0.139 nan 4.420 nan 0.000 0.218 66 P C 0.719 177.925 177.300 -0.156 0.000 1.148 66 P CA 1.585 64.559 63.100 -0.210 0.000 0.822 66 P CB 0.228 31.780 31.700 -0.246 0.000 0.784 67 E N 0.142 120.307 120.200 -0.059 0.000 2.338 67 E HA -0.048 4.318 4.350 0.026 0.000 0.197 67 E C 2.011 178.536 176.600 -0.125 0.000 1.007 67 E CA 1.137 57.509 56.400 -0.046 0.000 0.849 67 E CB -0.907 28.803 29.700 0.017 0.000 0.774 67 E HN 0.244 nan 8.360 nan 0.000 0.506 68 A N 0.427 123.136 122.820 -0.185 0.000 2.238 68 A HA 0.091 4.427 4.320 0.026 0.000 0.208 68 A C 0.687 177.958 177.584 -0.522 0.000 1.177 68 A CA -0.084 51.826 52.037 -0.212 0.000 0.804 68 A CB 0.204 19.166 19.000 -0.062 0.000 0.823 68 A HN 0.042 nan 8.150 nan 0.000 0.482 69 V N 2.894 122.396 119.914 -0.687 0.000 2.488 69 V HA 0.230 4.366 4.120 0.026 0.000 0.277 69 V C -2.147 173.629 176.094 -0.531 0.000 1.046 69 V CA -1.438 60.249 62.300 -1.021 0.000 0.986 69 V CB 0.878 32.155 31.823 -0.911 0.000 0.989 69 V HN 0.325 nan 8.190 nan 0.000 0.475 70 P HA 0.232 nan 4.420 nan 0.000 0.280 70 P C 0.689 177.931 177.300 -0.097 0.000 1.244 70 P CA -0.472 62.518 63.100 -0.184 0.000 0.784 70 P CB 0.832 32.480 31.700 -0.087 0.000 0.913 71 E N 1.657 121.808 120.200 -0.080 0.000 2.160 71 E HA -0.198 4.168 4.350 0.026 0.000 0.195 71 E C 1.426 177.992 176.600 -0.056 0.000 0.991 71 E CA 1.786 58.141 56.400 -0.075 0.000 0.810 71 E CB -1.174 28.486 29.700 -0.066 0.000 0.742 71 E HN 0.554 nan 8.360 nan 0.000 0.466 72 S N 0.524 116.213 115.700 -0.018 0.000 2.419 72 S HA -0.200 4.286 4.470 0.026 0.000 0.235 72 S C 1.699 176.304 174.600 0.009 0.000 1.019 72 S CA 0.931 59.127 58.200 -0.007 0.000 0.982 72 S CB -0.975 62.233 63.200 0.015 0.000 0.789 72 S HN 0.547 nan 8.310 nan 0.000 0.490 73 W N 2.397 123.604 121.300 -0.155 0.000 2.364 73 W HA 0.026 4.701 4.660 0.025 0.000 0.281 73 W C 1.605 178.015 176.519 -0.183 0.000 1.219 73 W CA 0.912 58.166 57.345 -0.153 0.000 1.220 73 W CB -0.351 28.998 29.460 -0.186 0.000 1.127 73 W HN 0.272 nan 8.180 nan 0.000 0.556 74 L N 0.031 121.016 121.223 -0.397 0.000 2.131 74 L HA -0.148 4.208 4.340 0.026 0.000 0.210 74 L C 2.126 178.756 176.870 -0.400 0.000 1.092 74 L CA 1.673 56.136 54.840 -0.627 0.000 0.759 74 L CB -0.609 41.114 42.059 -0.561 0.000 0.903 74 L HN 0.037 nan 8.230 nan 0.000 0.435 75 E N -2.195 117.859 120.200 -0.243 0.000 2.434 75 E HA 0.109 4.475 4.350 0.026 0.000 0.207 75 E C -0.073 176.454 176.600 -0.122 0.000 0.929 75 E CA -0.164 56.145 56.400 -0.152 0.000 1.001 75 E CB 0.879 30.526 29.700 -0.087 0.000 1.016 75 E HN 0.309 nan 8.360 nan 0.000 0.502 76 C N 1.140 120.374 119.300 -0.109 0.000 2.498 76 C HA 0.286 4.762 4.460 0.026 0.000 0.316 76 C C -0.404 174.579 174.990 -0.012 0.000 1.209 76 C CA -1.431 57.556 59.018 -0.051 0.000 1.518 76 C CB 1.143 28.876 27.740 -0.012 0.000 2.147 76 C HN 0.315 nan 8.230 nan 0.000 0.483 77 D N 1.543 121.950 120.400 0.011 0.000 2.488 77 D HA 0.124 4.780 4.640 0.026 0.000 0.238 77 D C -0.414 175.956 176.300 0.118 0.000 1.138 77 D CA 0.418 54.464 54.000 0.077 0.000 0.873 77 D CB 0.573 41.409 40.800 0.060 0.000 1.183 77 D HN 0.409 nan 8.370 nan 0.000 0.458 78 L N 5.902 127.240 121.223 0.192 0.000 2.319 78 L HA 0.224 4.579 4.340 0.026 0.000 0.280 78 L C -1.168 175.756 176.870 0.090 0.000 1.099 78 L CA -1.540 53.391 54.840 0.151 0.000 0.828 78 L CB 1.248 43.408 42.059 0.169 0.000 1.150 78 L HN 0.520 nan 8.230 nan 0.000 0.442 79 P HA -0.152 nan 4.420 nan 0.000 0.218 79 P C 0.750 178.071 177.300 0.035 0.000 1.149 79 P CA 1.082 64.210 63.100 0.046 0.000 0.817 79 P CB 0.262 31.983 31.700 0.035 0.000 0.785 80 E N -0.046 120.168 120.200 0.024 0.000 2.347 80 E HA 0.089 4.454 4.350 0.026 0.000 0.196 80 E C 1.160 177.755 176.600 -0.008 0.000 1.008 80 E CA 0.293 56.693 56.400 -0.000 0.000 0.852 80 E CB -0.773 28.910 29.700 -0.029 0.000 0.783 80 E HN 0.225 nan 8.360 nan 0.000 0.505 81 A N 1.235 124.058 122.820 0.004 0.000 2.409 81 A HA 0.122 4.457 4.320 0.026 0.000 0.246 81 A C 0.028 177.650 177.584 0.063 0.000 1.099 81 A CA -0.093 51.943 52.037 -0.002 0.000 0.789 81 A CB 0.287 19.317 19.000 0.050 0.000 1.053 81 A HN -0.038 nan 8.150 nan 0.000 0.503 82 D N -0.755 119.714 120.400 0.115 0.000 2.374 82 D HA 0.507 5.163 4.640 0.026 0.000 0.239 82 D C -0.707 175.701 176.300 0.179 0.000 0.991 82 D CA -0.069 54.023 54.000 0.153 0.000 0.960 82 D CB 1.404 42.344 40.800 0.234 0.000 1.284 82 D HN 0.387 nan 8.370 nan 0.000 0.512 83 T N 0.585 115.227 114.554 0.147 0.000 2.743 83 T HA 0.500 4.866 4.350 0.026 0.000 0.293 83 T C 0.225 175.013 174.700 0.147 0.000 0.945 83 T CA -0.488 61.708 62.100 0.160 0.000 1.030 83 T CB 0.536 69.472 68.868 0.113 0.000 0.912 83 T HN 0.260 nan 8.240 nan 0.000 0.483 84 V N 1.206 121.240 119.914 0.200 0.000 3.141 84 V HA 0.789 4.924 4.120 0.026 0.000 0.312 84 V C -0.309 175.893 176.094 0.181 0.000 1.157 84 V CA -1.091 61.283 62.300 0.123 0.000 1.041 84 V CB 1.659 33.566 31.823 0.141 0.000 1.071 84 V HN 0.491 nan 8.190 nan 0.000 0.441 85 V N 1.482 121.475 119.914 0.130 0.000 2.546 85 V HA 0.560 4.696 4.120 0.026 0.000 0.284 85 V C -0.065 176.102 176.094 0.121 0.000 1.050 85 V CA -0.097 62.282 62.300 0.132 0.000 0.981 85 V CB 1.418 33.289 31.823 0.080 0.000 0.990 85 V HN 0.739 nan 8.190 nan 0.000 0.474 86 V N 7.023 126.928 119.914 -0.014 0.000 2.656 86 V HA 0.468 4.604 4.120 0.026 0.000 0.307 86 V C -2.312 173.663 176.094 -0.198 0.000 1.051 86 V CA -1.740 60.408 62.300 -0.252 0.000 0.893 86 V CB 2.474 33.786 31.823 -0.852 0.000 0.999 86 V HN 0.758 nan 8.190 nan 0.000 0.426 87 P HA 0.437 nan 4.420 nan 0.000 0.274 87 P C -0.766 176.455 177.300 -0.132 0.000 1.231 87 P CA -0.062 62.909 63.100 -0.216 0.000 0.790 87 P CB 1.338 32.926 31.700 -0.187 0.000 0.951 88 S N 0.236 115.865 115.700 -0.118 0.000 2.611 88 S HA 0.392 4.877 4.470 0.026 0.000 0.270 88 S C -1.347 173.175 174.600 -0.130 0.000 1.131 88 S CA -1.037 57.082 58.200 -0.135 0.000 0.826 88 S CB 0.332 63.417 63.200 -0.192 0.000 1.095 88 S HN 0.358 nan 8.310 nan 0.000 0.461 89 N N 1.033 119.595 118.700 -0.230 0.000 2.408 89 N HA 0.445 5.201 4.740 0.026 0.000 0.280 89 N C 0.471 175.801 175.510 -0.301 0.000 1.002 89 N CA -0.793 52.098 53.050 -0.266 0.000 0.907 89 N CB 0.716 39.014 38.487 -0.315 0.000 1.161 89 N HN 0.851 nan 8.380 nan 0.000 0.488 90 W N 2.498 123.635 121.300 -0.273 0.000 2.465 90 W HA -0.028 4.648 4.660 0.026 0.000 0.268 90 W C 0.959 177.445 176.519 -0.055 0.000 1.242 90 W CA 0.662 57.853 57.345 -0.256 0.000 1.248 90 W CB -0.332 28.963 29.460 -0.275 0.000 1.118 90 W HN 0.503 nan 8.180 nan 0.000 0.587 91 Q N 0.570 120.353 119.800 -0.028 0.000 2.167 91 Q HA -0.105 4.250 4.340 0.026 0.000 0.202 91 Q C 2.164 178.106 176.000 -0.096 0.000 0.970 91 Q CA 1.875 57.650 55.803 -0.047 0.000 0.855 91 Q CB -0.551 28.029 28.738 -0.264 0.000 0.911 91 Q HN 0.274 nan 8.270 nan 0.000 0.438 92 M N -0.838 118.666 119.600 -0.160 0.000 2.562 92 M HA -0.035 4.460 4.480 0.026 0.000 0.257 92 M C 0.665 177.015 176.300 0.083 0.000 1.099 92 M CA 1.295 56.530 55.300 -0.108 0.000 1.099 92 M CB -0.561 31.958 32.600 -0.136 0.000 1.427 92 M HN 0.379 nan 8.290 nan 0.000 0.489 93 H N -0.604 118.493 119.070 0.045 0.000 2.551 93 H HA 0.261 4.832 4.556 0.026 0.000 0.271 93 H C 1.320 176.544 175.328 -0.174 0.000 0.984 93 H CA 0.113 56.169 56.048 0.014 0.000 1.164 93 H CB 0.418 30.308 29.762 0.212 0.000 1.437 93 H HN 0.568 nan 8.280 nan 0.000 0.550 94 G N 0.586 109.393 108.800 0.012 0.000 2.159 94 G HA2 -0.372 3.604 3.960 0.026 0.000 0.256 94 G HA3 -0.372 3.604 3.960 0.026 0.000 0.256 94 G C 0.415 175.198 174.900 -0.195 0.000 0.977 94 G CA 0.396 45.435 45.100 -0.100 0.000 0.652 94 G HN 0.481 nan 8.290 nan 0.000 0.531 95 Y N 1.589 121.914 120.300 0.041 0.000 2.293 95 Y HA 0.233 4.798 4.550 0.026 0.000 0.291 95 Y C 1.694 177.387 175.900 -0.345 0.000 1.137 95 Y CA 1.668 59.682 58.100 -0.144 0.000 1.202 95 Y CB 0.189 38.634 38.460 -0.024 0.000 0.990 95 Y HN 0.666 nan 8.280 nan 0.000 0.537 96 D N -2.064 118.404 120.400 0.112 0.000 2.665 96 D HA 0.495 5.150 4.640 0.026 0.000 0.287 96 D C -1.216 175.159 176.300 0.126 0.000 1.266 96 D CA -0.846 53.212 54.000 0.097 0.000 0.830 96 D CB 0.756 41.733 40.800 0.295 0.000 1.356 96 D HN -0.045 nan 8.370 nan 0.000 0.437 97 A N 0.049 122.947 122.820 0.130 0.000 2.327 97 A HA 0.700 5.035 4.320 0.026 0.000 0.283 97 A C -2.321 175.273 177.584 0.016 0.000 1.127 97 A CA -1.154 50.931 52.037 0.081 0.000 0.810 97 A CB 0.122 19.240 19.000 0.197 0.000 1.066 97 A HN 0.549 nan 8.150 nan 0.000 0.492 98 P HA 0.466 nan 4.420 nan 0.000 0.282 98 P C -0.955 176.495 177.300 0.250 0.000 1.249 98 P CA -0.063 62.967 63.100 -0.117 0.000 0.806 98 P CB 0.936 32.299 31.700 -0.561 0.000 0.984 99 I N 2.697 123.512 120.570 0.408 0.000 2.362 99 I HA 0.227 4.412 4.170 0.026 0.000 0.289 99 I C -0.411 175.879 176.117 0.289 0.000 0.994 99 I CA -0.972 60.565 61.300 0.394 0.000 1.158 99 I CB 1.304 39.472 38.000 0.281 0.000 1.315 99 I HN 0.300 nan 8.210 nan 0.000 0.451 100 Y N 6.609 126.868 120.300 -0.068 0.000 2.504 100 Y HA 0.476 5.042 4.550 0.025 0.000 0.339 100 Y C -0.178 175.580 175.900 -0.238 0.000 0.974 100 Y CA -0.411 57.369 58.100 -0.533 0.000 1.232 100 Y CB 0.943 38.595 38.460 -1.348 0.000 1.108 100 Y HN 0.526 nan 8.280 nan 0.000 0.509 101 T N 5.005 119.019 114.554 -0.901 0.000 2.893 101 T HA 0.272 4.638 4.350 0.026 0.000 0.293 101 T C 0.179 174.418 174.700 -0.767 0.000 1.027 101 T CA -0.537 61.094 62.100 -0.781 0.000 0.988 101 T CB 1.206 69.852 68.868 -0.370 0.000 1.043 101 T HN 0.892 nan 8.240 nan 0.000 0.461 102 N N 2.446 120.737 118.700 -0.680 0.000 2.288 102 N HA 0.029 4.784 4.740 0.026 0.000 0.199 102 N C 1.383 176.628 175.510 -0.442 0.000 1.043 102 N CA 0.570 53.352 53.050 -0.448 0.000 0.947 102 N CB 0.193 38.422 38.487 -0.431 0.000 1.140 102 N HN 0.362 nan 8.380 nan 0.000 0.490 103 V N 0.512 120.096 119.914 -0.550 0.000 2.581 103 V HA 0.058 4.193 4.120 0.026 0.000 0.240 103 V C 0.549 176.342 176.094 -0.502 0.000 1.054 103 V CA 0.727 62.626 62.300 -0.669 0.000 1.076 103 V CB -0.205 31.117 31.823 -0.834 0.000 0.748 103 V HN 0.357 nan 8.190 nan 0.000 0.474 104 T N 1.229 115.554 114.554 -0.381 0.000 2.871 104 T HA 0.120 4.486 4.350 0.026 0.000 0.296 104 T C -0.333 174.244 174.700 -0.205 0.000 0.998 104 T CA 0.301 62.257 62.100 -0.239 0.000 1.162 104 T CB -0.243 68.511 68.868 -0.190 0.000 0.947 104 T HN 0.173 nan 8.240 nan 0.000 0.536 105 Y N 4.690 124.891 120.300 -0.164 0.000 2.578 105 Y HA 0.117 4.683 4.550 0.025 0.000 0.339 105 Y C -0.725 175.050 175.900 -0.208 0.000 1.231 105 Y CA -1.630 56.364 58.100 -0.177 0.000 1.461 105 Y CB 0.356 38.704 38.460 -0.186 0.000 1.323 105 Y HN 0.513 nan 8.280 nan 0.000 0.590 106 P HA -0.021 nan 4.420 nan 0.000 0.237 106 P C -0.300 176.791 177.300 -0.347 0.000 1.178 106 P CA 1.126 64.127 63.100 -0.166 0.000 0.766 106 P CB 0.025 31.664 31.700 -0.102 0.000 0.876 107 I N -5.042 115.284 120.570 -0.405 0.000 2.892 107 I HA 0.487 4.672 4.170 0.026 0.000 0.306 107 I C -0.492 175.490 176.117 -0.225 0.000 1.078 107 I CA -1.200 59.828 61.300 -0.453 0.000 1.032 107 I CB 1.805 39.362 38.000 -0.737 0.000 1.229 107 I HN -0.452 nan 8.210 nan 0.000 0.435 108 T N 3.041 117.511 114.554 -0.140 0.000 2.946 108 T HA 0.138 4.503 4.350 0.026 0.000 0.311 108 T C 0.205 174.884 174.700 -0.035 0.000 1.063 108 T CA -0.208 61.858 62.100 -0.058 0.000 1.139 108 T CB 0.622 69.480 68.868 -0.018 0.000 0.994 108 T HN 0.389 nan 8.240 nan 0.000 0.547 109 V N 4.653 124.558 119.914 -0.015 0.000 2.387 109 V HA 0.266 4.402 4.120 0.026 0.000 0.260 109 V C 0.662 176.792 176.094 0.060 0.000 1.054 109 V CA -0.251 62.055 62.300 0.010 0.000 0.967 109 V CB -0.007 31.802 31.823 -0.024 0.000 1.036 109 V HN 0.892 nan 8.190 nan 0.000 0.481 110 N N 5.841 124.632 118.700 0.152 0.000 2.679 110 N HA 0.248 5.003 4.740 0.026 0.000 0.240 110 N C -2.989 172.572 175.510 0.085 0.000 1.537 110 N CA -1.139 51.987 53.050 0.128 0.000 0.793 110 N CB 1.340 39.946 38.487 0.199 0.000 1.391 110 N HN 0.276 nan 8.380 nan 0.000 0.524 111 P HA 0.146 nan 4.420 nan 0.000 0.264 111 P C -2.228 174.830 177.300 -0.404 0.000 1.183 111 P CA -0.632 62.052 63.100 -0.692 0.000 0.763 111 P CB 0.430 31.605 31.700 -0.874 0.000 0.807 112 P HA 0.227 nan 4.420 nan 0.000 0.266 112 P C -0.356 176.815 177.300 -0.216 0.000 1.561 112 P CA -0.263 62.615 63.100 -0.371 0.000 1.089 112 P CB 0.052 31.521 31.700 -0.383 0.000 1.534 113 F N 1.007 121.058 119.950 0.168 0.000 2.380 113 F HA 0.300 4.843 4.527 0.026 0.000 0.325 113 F C 1.387 177.348 175.800 0.267 0.000 1.136 113 F CA -0.670 57.440 58.000 0.184 0.000 1.171 113 F CB 0.871 39.928 39.000 0.095 0.000 1.230 113 F HN -0.205 nan 8.300 nan 0.000 0.554 114 V N -0.814 119.368 119.914 0.448 0.000 3.141 114 V HA 0.688 4.823 4.120 0.026 0.000 0.312 114 V C -2.785 173.465 176.094 0.261 0.000 1.157 114 V CA -2.860 59.624 62.300 0.307 0.000 1.041 114 V CB 1.374 33.434 31.823 0.394 0.000 1.071 114 V HN 0.469 nan 8.190 nan 0.000 0.441 115 P HA 0.203 nan 4.420 nan 0.000 0.268 115 P C 1.009 178.451 177.300 0.237 0.000 1.208 115 P CA 0.550 63.743 63.100 0.155 0.000 0.777 115 P CB 0.476 32.238 31.700 0.103 0.000 0.875 116 T N -1.657 113.007 114.554 0.183 0.000 2.857 116 T HA -0.084 4.281 4.350 0.026 0.000 0.266 116 T C 0.512 175.327 174.700 0.191 0.000 1.048 116 T CA 0.763 62.977 62.100 0.189 0.000 1.139 116 T CB -0.598 68.344 68.868 0.125 0.000 0.874 116 T HN 0.405 nan 8.240 nan 0.000 0.455 117 E N 2.815 123.126 120.200 0.184 0.000 1.858 117 E HA 0.227 4.592 4.350 0.026 0.000 0.267 117 E C -0.643 176.121 176.600 0.273 0.000 1.215 117 E CA -0.375 56.142 56.400 0.195 0.000 0.952 117 E CB 0.028 29.850 29.700 0.203 0.000 1.058 117 E HN 0.254 nan 8.360 nan 0.000 0.407 118 N N 4.312 123.148 118.700 0.227 0.000 2.531 118 N HA 0.236 4.991 4.740 0.026 0.000 0.268 118 N C -2.846 172.711 175.510 0.078 0.000 1.023 118 N CA -2.596 50.633 53.050 0.300 0.000 0.896 118 N CB 1.187 39.843 38.487 0.281 0.000 1.233 118 N HN 0.013 nan 8.380 nan 0.000 0.512 119 P HA 0.024 nan 4.420 nan 0.000 0.261 119 P C -0.860 176.350 177.300 -0.151 0.000 1.173 119 P CA 0.470 63.540 63.100 -0.050 0.000 0.760 119 P CB 0.405 32.384 31.700 0.465 0.000 0.783 120 T N 2.724 116.916 114.554 -0.604 0.000 2.840 120 T HA 0.540 4.905 4.350 0.026 0.000 0.287 120 T C 0.229 174.448 174.700 -0.801 0.000 0.991 120 T CA -0.569 61.248 62.100 -0.472 0.000 0.964 120 T CB 1.486 70.109 68.868 -0.409 0.000 0.954 120 T HN 0.345 nan 8.240 nan 0.000 0.438 121 G N 1.157 109.565 108.800 -0.654 0.000 2.329 121 G HA2 0.461 4.437 3.960 0.026 0.000 0.309 121 G HA3 0.461 4.437 3.960 0.026 0.000 0.309 121 G C -0.167 174.543 174.900 -0.317 0.000 1.110 121 G CA -0.356 44.292 45.100 -0.752 0.000 0.923 121 G HN 0.870 nan 8.290 nan 0.000 0.430 122 C N 3.493 122.370 119.300 -0.705 0.000 2.203 122 C HA 0.435 4.911 4.460 0.026 0.000 0.325 122 C C -0.435 174.522 174.990 -0.054 0.000 1.156 122 C CA -0.943 57.780 59.018 -0.491 0.000 1.597 122 C CB -1.817 25.203 27.740 -1.200 0.000 2.148 122 C HN 0.632 nan 8.230 nan 0.000 0.472 123 Y N 1.993 122.580 120.300 0.480 0.000 2.387 123 Y HA 0.629 5.195 4.550 0.026 0.000 0.330 123 Y C 0.832 177.189 175.900 0.762 0.000 1.133 123 Y CA -0.051 58.442 58.100 0.655 0.000 1.152 123 Y CB 1.477 40.293 38.460 0.594 0.000 1.215 123 Y HN 0.674 nan 8.280 nan 0.000 0.466 124 S N 2.237 118.436 115.700 0.830 0.000 2.570 124 S HA 0.802 5.288 4.470 0.026 0.000 0.270 124 S C -1.979 172.717 174.600 0.161 0.000 1.149 124 S CA -0.833 57.635 58.200 0.448 0.000 0.837 124 S CB 2.090 65.442 63.200 0.252 0.000 1.124 124 S HN 0.620 nan 8.310 nan 0.000 0.465 125 L N 0.875 122.000 121.223 -0.164 0.000 2.493 125 L HA 0.707 5.063 4.340 0.026 0.000 0.265 125 L C -1.074 175.730 176.870 -0.110 0.000 0.954 125 L CA 0.110 54.677 54.840 -0.456 0.000 0.844 125 L CB 2.249 43.467 42.059 -1.403 0.000 1.302 125 L HN 0.901 nan 8.230 nan 0.000 0.405 126 T N 5.905 120.427 114.554 -0.052 0.000 2.744 126 T HA 0.716 5.081 4.350 0.026 0.000 0.291 126 T C -0.722 174.023 174.700 0.075 0.000 0.957 126 T CA 0.056 62.161 62.100 0.009 0.000 1.002 126 T CB 0.131 68.981 68.868 -0.030 0.000 0.919 126 T HN 0.476 nan 8.240 nan 0.000 0.468 127 F N 0.987 120.842 119.950 -0.158 0.000 2.685 127 F HA 0.739 5.282 4.527 0.026 0.000 0.315 127 F C -0.960 174.765 175.800 -0.124 0.000 1.126 127 F CA -1.506 56.402 58.000 -0.153 0.000 0.950 127 F CB 1.323 40.206 39.000 -0.195 0.000 1.360 127 F HN 0.254 nan 8.300 nan 0.000 0.469 128 N N -0.048 118.563 118.700 -0.148 0.000 2.430 128 N HA 0.740 5.495 4.740 0.026 0.000 0.298 128 N C -1.732 173.643 175.510 -0.224 0.000 1.130 128 N CA -0.760 52.139 53.050 -0.252 0.000 0.894 128 N CB 2.320 40.724 38.487 -0.139 0.000 1.209 128 N HN 0.544 nan 8.380 nan 0.000 0.503 129 V N 1.167 120.925 119.914 -0.260 0.000 2.638 129 V HA 0.281 4.417 4.120 0.026 0.000 0.306 129 V C -0.965 175.009 176.094 -0.200 0.000 1.052 129 V CA -0.963 61.193 62.300 -0.239 0.000 0.885 129 V CB 1.821 33.561 31.823 -0.139 0.000 0.999 129 V HN 0.620 nan 8.190 nan 0.000 0.424 130 D N 2.471 122.697 120.400 -0.291 0.000 2.414 130 D HA 0.061 4.717 4.640 0.026 0.000 0.242 130 D C 1.235 177.534 176.300 -0.002 0.000 1.129 130 D CA -0.016 53.892 54.000 -0.152 0.000 0.885 130 D CB 1.089 41.798 40.800 -0.151 0.000 1.198 130 D HN 0.849 nan 8.370 nan 0.000 0.437 131 E N 0.731 120.943 120.200 0.020 0.000 2.204 131 E HA -0.218 4.147 4.350 0.026 0.000 0.195 131 E C 1.301 177.966 176.600 0.109 0.000 0.990 131 E CA 1.262 57.696 56.400 0.056 0.000 0.821 131 E CB 0.044 29.760 29.700 0.028 0.000 0.750 131 E HN 0.362 nan 8.360 nan 0.000 0.477 132 S N -0.099 115.679 115.700 0.129 0.000 2.399 132 S HA -0.166 4.319 4.470 0.026 0.000 0.231 132 S C 1.475 176.163 174.600 0.147 0.000 1.022 132 S CA 0.824 59.101 58.200 0.130 0.000 0.983 132 S CB -0.779 62.494 63.200 0.122 0.000 0.803 132 S HN 0.489 nan 8.310 nan 0.000 0.480 133 W N 1.703 122.934 121.300 -0.116 0.000 2.465 133 W HA 0.318 4.994 4.660 0.026 0.000 0.268 133 W C 1.951 178.551 176.519 0.135 0.000 1.242 133 W CA 0.043 57.320 57.345 -0.114 0.000 1.248 133 W CB -0.467 29.001 29.460 0.013 0.000 1.118 133 W HN 0.323 nan 8.180 nan 0.000 0.587 134 L N -1.236 120.163 121.223 0.293 0.000 2.408 134 L HA 0.036 4.391 4.340 0.026 0.000 0.215 134 L C 2.189 179.148 176.870 0.148 0.000 1.081 134 L CA 0.526 55.493 54.840 0.213 0.000 0.840 134 L CB -0.834 41.320 42.059 0.159 0.000 1.002 134 L HN -0.122 nan 8.230 nan 0.000 0.468 135 Q N -0.098 119.774 119.800 0.121 0.000 2.224 135 Q HA -0.044 4.311 4.340 0.026 0.000 0.203 135 Q C 0.104 176.156 176.000 0.086 0.000 0.970 135 Q CA 0.965 56.818 55.803 0.083 0.000 0.865 135 Q CB 0.454 29.230 28.738 0.064 0.000 0.922 135 Q HN 0.255 nan 8.270 nan 0.000 0.445 136 E N -1.944 118.330 120.200 0.123 0.000 2.413 136 E HA 0.450 4.816 4.350 0.026 0.000 0.277 136 E C -0.219 176.503 176.600 0.204 0.000 0.958 136 E CA 0.311 56.784 56.400 0.122 0.000 0.779 136 E CB 1.716 31.474 29.700 0.097 0.000 1.278 136 E HN 0.204 nan 8.360 nan 0.000 0.456 137 G N 1.455 110.304 108.800 0.082 0.000 2.645 137 G HA2 -0.264 3.712 3.960 0.026 0.000 0.246 137 G HA3 -0.264 3.712 3.960 0.026 0.000 0.246 137 G C -0.463 174.339 174.900 -0.163 0.000 1.322 137 G CA 0.286 45.332 45.100 -0.091 0.000 0.898 137 G HN 0.524 nan 8.290 nan 0.000 0.573 138 Q N -0.603 118.939 119.800 -0.431 0.000 2.356 138 Q HA 0.640 4.995 4.340 0.026 0.000 0.270 138 Q C -1.067 174.779 176.000 -0.257 0.000 1.058 138 Q CA -0.469 55.195 55.803 -0.230 0.000 0.802 138 Q CB 1.700 30.341 28.738 -0.161 0.000 1.303 138 Q HN 0.635 nan 8.270 nan 0.000 0.444 139 T N 4.685 119.253 114.554 0.023 0.000 2.786 139 T HA 0.519 4.885 4.350 0.026 0.000 0.283 139 T C -0.645 174.160 174.700 0.176 0.000 0.992 139 T CA -0.678 61.525 62.100 0.173 0.000 0.954 139 T CB 0.715 69.836 68.868 0.422 0.000 0.934 139 T HN 0.655 nan 8.240 nan 0.000 0.440 140 R N 2.672 123.265 120.500 0.154 0.000 2.892 140 R HA 0.806 5.162 4.340 0.026 0.000 0.265 140 R C -1.136 175.258 176.300 0.156 0.000 1.025 140 R CA -1.025 55.165 56.100 0.151 0.000 0.982 140 R CB 1.563 31.925 30.300 0.102 0.000 1.185 140 R HN 0.574 nan 8.270 nan 0.000 0.484 141 I N 1.655 122.316 120.570 0.151 0.000 2.562 141 I HA 0.472 4.658 4.170 0.026 0.000 0.301 141 I C -1.126 175.014 176.117 0.038 0.000 1.003 141 I CA -1.334 60.001 61.300 0.059 0.000 1.127 141 I CB 1.525 39.554 38.000 0.048 0.000 1.304 141 I HN 0.601 nan 8.210 nan 0.000 0.446 142 I N 7.048 127.541 120.570 -0.127 0.000 2.447 142 I HA 0.285 4.470 4.170 0.026 0.000 0.287 142 I C -1.312 174.633 176.117 -0.286 0.000 1.023 142 I CA -0.399 60.842 61.300 -0.098 0.000 1.083 142 I CB 1.553 39.512 38.000 -0.068 0.000 1.245 142 I HN 0.396 nan 8.210 nan 0.000 0.434 143 F N 4.606 124.550 119.950 -0.009 0.000 2.313 143 F HA 0.256 4.798 4.527 0.025 0.000 0.369 143 F C 1.369 177.071 175.800 -0.165 0.000 1.109 143 F CA -0.447 57.482 58.000 -0.119 0.000 1.132 143 F CB 0.604 39.496 39.000 -0.180 0.000 1.291 143 F HN 0.460 nan 8.300 nan 0.000 0.496 144 D N 2.369 122.689 120.400 -0.134 0.000 2.263 144 D HA 0.019 4.675 4.640 0.026 0.000 0.208 144 D C 1.024 177.166 176.300 -0.263 0.000 0.971 144 D CA 0.939 54.815 54.000 -0.207 0.000 0.867 144 D CB 0.377 40.996 40.800 -0.302 0.000 0.929 144 D HN 0.632 nan 8.370 nan 0.000 0.492 145 G N -0.396 108.202 108.800 -0.336 0.000 2.505 145 G HA2 0.425 4.400 3.960 0.026 0.000 0.292 145 G HA3 0.425 4.400 3.960 0.026 0.000 0.292 145 G C -1.467 173.222 174.900 -0.352 0.000 1.332 145 G CA -0.432 44.367 45.100 -0.502 0.000 1.286 145 G HN -0.051 nan 8.290 nan 0.000 0.606 146 V N 2.585 122.485 119.914 -0.023 0.000 2.569 146 V HA 0.543 4.678 4.120 0.026 0.000 0.301 146 V C -0.870 175.320 176.094 0.160 0.000 1.044 146 V CA -1.162 61.125 62.300 -0.021 0.000 0.874 146 V CB 1.978 33.564 31.823 -0.395 0.000 1.002 146 V HN 0.702 nan 8.190 nan 0.000 0.424 147 N N 2.373 121.152 118.700 0.132 0.000 2.407 147 N HA 0.342 5.097 4.740 0.026 0.000 0.277 147 N C 0.595 176.039 175.510 -0.111 0.000 0.995 147 N CA 0.130 53.168 53.050 -0.020 0.000 0.903 147 N CB 2.261 40.587 38.487 -0.267 0.000 1.218 147 N HN 0.678 nan 8.380 nan 0.000 0.487 148 S N 1.845 117.514 115.700 -0.052 0.000 2.526 148 S HA 0.572 5.057 4.470 0.026 0.000 0.220 148 S C 0.285 174.939 174.600 0.091 0.000 1.017 148 S CA 0.039 58.259 58.200 0.034 0.000 0.930 148 S CB 0.296 63.528 63.200 0.055 0.000 0.856 148 S HN 0.664 nan 8.310 nan 0.000 0.497 149 A N 0.840 123.722 122.820 0.103 0.000 2.612 149 A HA 0.776 5.111 4.320 0.026 0.000 0.293 149 A C -1.286 176.367 177.584 0.116 0.000 1.075 149 A CA -0.982 51.074 52.037 0.030 0.000 0.680 149 A CB 0.865 19.914 19.000 0.081 0.000 1.279 149 A HN 1.096 nan 8.150 nan 0.000 0.411 150 F N -0.630 119.125 119.950 -0.325 0.000 2.719 150 F HA 0.715 5.257 4.527 0.025 0.000 0.309 150 F C -1.100 174.577 175.800 -0.204 0.000 1.138 150 F CA -0.812 57.096 58.000 -0.152 0.000 0.943 150 F CB 1.062 39.964 39.000 -0.162 0.000 1.304 150 F HN 0.634 nan 8.300 nan 0.000 0.445 151 H N 1.790 121.001 119.070 0.236 0.000 2.479 151 H HA 0.717 5.288 4.556 0.026 0.000 0.335 151 H C -1.362 173.918 175.328 -0.079 0.000 1.142 151 H CA -0.675 55.384 56.048 0.018 0.000 1.234 151 H CB 2.453 32.211 29.762 -0.006 0.000 1.503 151 H HN 0.787 nan 8.280 nan 0.000 0.510 152 L N 2.834 123.834 121.223 -0.372 0.000 2.385 152 L HA 0.397 4.752 4.340 0.026 0.000 0.273 152 L C -1.594 174.972 176.870 -0.506 0.000 0.990 152 L CA -0.490 54.192 54.840 -0.264 0.000 0.821 152 L CB 1.421 43.209 42.059 -0.450 0.000 1.279 152 L HN 0.507 nan 8.230 nan 0.000 0.412 153 W N 4.140 125.415 121.300 -0.041 0.000 2.864 153 W HA 0.619 5.295 4.660 0.026 0.000 0.343 153 W C -1.148 175.327 176.519 -0.075 0.000 1.109 153 W CA -0.832 56.479 57.345 -0.057 0.000 1.192 153 W CB 2.056 31.517 29.460 0.002 0.000 1.426 153 W HN 0.607 nan 8.180 nan 0.000 0.529 154 C N 4.209 123.619 119.300 0.183 0.000 2.446 154 C HA 0.298 4.774 4.460 0.026 0.000 0.329 154 C C 0.097 175.226 174.990 0.232 0.000 1.166 154 C CA -0.386 58.731 59.018 0.165 0.000 1.341 154 C CB -0.564 27.220 27.740 0.073 0.000 1.970 154 C HN 0.805 nan 8.230 nan 0.000 0.452 155 N N 3.645 122.429 118.700 0.141 0.000 2.740 155 N HA -0.182 4.573 4.740 0.026 0.000 0.248 155 N C 0.977 176.553 175.510 0.109 0.000 1.062 155 N CA 2.038 55.146 53.050 0.097 0.000 0.704 155 N CB -1.339 37.209 38.487 0.101 0.000 0.968 155 N HN 1.873 nan 8.380 nan 0.000 0.547 156 G N -1.254 107.597 108.800 0.085 0.000 2.245 156 G HA2 -0.389 3.587 3.960 0.026 0.000 0.264 156 G HA3 -0.389 3.587 3.960 0.026 0.000 0.264 156 G C 0.185 175.235 174.900 0.250 0.000 0.985 156 G CA 0.795 45.937 45.100 0.069 0.000 0.625 156 G HN 0.587 nan 8.290 nan 0.000 0.536 157 R N -0.982 119.743 120.500 0.375 0.000 2.407 157 R HA 0.468 4.823 4.340 0.026 0.000 0.303 157 R C -0.240 176.422 176.300 0.604 0.000 0.981 157 R CA -0.843 55.564 56.100 0.512 0.000 0.905 157 R CB 1.065 31.648 30.300 0.472 0.000 1.099 157 R HN 0.230 nan 8.270 nan 0.000 0.459 158 W N 3.406 124.914 121.300 0.346 0.000 2.238 158 W HA 0.142 4.817 4.660 0.025 0.000 0.321 158 W C 0.039 176.491 176.519 -0.111 0.000 1.293 158 W CA -0.077 57.167 57.345 -0.168 0.000 1.204 158 W CB 0.746 30.084 29.460 -0.203 0.000 1.167 158 W HN 0.326 nan 8.180 nan 0.000 0.553 159 V N 5.091 124.294 119.914 -1.184 0.000 2.743 159 V HA 0.543 4.678 4.120 0.026 0.000 0.237 159 V C 1.029 176.146 176.094 -1.627 0.000 1.113 159 V CA 1.050 62.588 62.300 -1.270 0.000 1.141 159 V CB -0.361 30.750 31.823 -1.188 0.000 0.873 159 V HN 0.844 nan 8.190 nan 0.000 0.486 160 G N -1.690 105.905 108.800 -2.007 0.000 2.348 160 G HA2 0.447 4.422 3.960 0.026 0.000 0.296 160 G HA3 0.447 4.422 3.960 0.026 0.000 0.296 160 G C -2.340 172.107 174.900 -0.755 0.000 1.258 160 G CA -0.072 44.211 45.100 -1.362 0.000 0.868 160 G HN 0.084 nan 8.290 nan 0.000 0.488 161 Y N -0.567 119.438 120.300 -0.491 0.000 2.581 161 Y HA 0.661 5.226 4.550 0.025 0.000 0.337 161 Y C -0.266 175.393 175.900 -0.402 0.000 1.108 161 Y CA -0.009 57.751 58.100 -0.566 0.000 1.033 161 Y CB 1.993 40.279 38.460 -0.290 0.000 1.318 161 Y HN 1.357 nan 8.280 nan 0.000 0.459 162 G N 3.666 111.610 108.800 -1.427 0.000 2.733 162 G HA2 0.582 4.557 3.960 0.026 0.000 0.297 162 G HA3 0.582 4.557 3.960 0.026 0.000 0.297 162 G C -2.134 172.297 174.900 -0.781 0.000 1.422 162 G CA -0.877 43.699 45.100 -0.874 0.000 0.942 162 G HN 0.633 nan 8.290 nan 0.000 0.510 163 Q N -0.200 119.387 119.800 -0.356 0.000 2.495 163 Q HA 0.606 4.962 4.340 0.026 0.000 0.283 163 Q C -1.284 174.708 176.000 -0.013 0.000 1.097 163 Q CA -0.815 54.905 55.803 -0.139 0.000 0.836 163 Q CB 2.530 31.245 28.738 -0.038 0.000 1.426 163 Q HN 0.636 nan 8.270 nan 0.000 0.459 164 D N -0.242 120.192 120.400 0.056 0.000 4.013 164 D HA -0.095 4.561 4.640 0.026 0.000 0.225 164 D C -0.515 175.848 176.300 0.106 0.000 1.196 164 D CA 0.374 54.425 54.000 0.085 0.000 0.889 164 D CB -0.631 40.204 40.800 0.058 0.000 0.572 164 D HN 0.538 nan 8.370 nan 0.000 0.258 165 S N 3.117 118.894 115.700 0.128 0.000 2.537 165 S HA -0.096 4.389 4.470 0.026 0.000 0.240 165 S C 1.542 176.272 174.600 0.217 0.000 0.981 165 S CA 0.656 58.960 58.200 0.174 0.000 0.948 165 S CB 0.194 63.466 63.200 0.120 0.000 0.759 165 S HN 0.465 nan 8.310 nan 0.000 0.531 166 R N 0.098 120.690 120.500 0.152 0.000 2.543 166 R HA 0.417 4.772 4.340 0.026 0.000 0.323 166 R C -0.397 175.960 176.300 0.096 0.000 1.002 166 R CA 0.048 56.235 56.100 0.145 0.000 1.106 166 R CB 0.227 30.635 30.300 0.180 0.000 1.280 166 R HN 0.322 nan 8.270 nan 0.000 0.549 167 L N 1.699 122.952 121.223 0.051 0.000 2.354 167 L HA 0.520 4.876 4.340 0.026 0.000 0.264 167 L C -2.395 174.455 176.870 -0.033 0.000 1.008 167 L CA -2.313 52.528 54.840 0.002 0.000 0.819 167 L CB 2.843 44.897 42.059 -0.010 0.000 1.339 167 L HN -0.215 nan 8.230 nan 0.000 0.420 168 P HA 0.123 nan 4.420 nan 0.000 0.275 168 P C -1.011 176.256 177.300 -0.055 0.000 1.227 168 P CA -0.253 62.803 63.100 -0.073 0.000 0.781 168 P CB 1.091 32.712 31.700 -0.131 0.000 0.906 169 S N 1.957 117.686 115.700 0.049 0.000 2.456 169 S HA 0.300 4.786 4.470 0.026 0.000 0.316 169 S C -0.301 174.249 174.600 -0.084 0.000 1.089 169 S CA -0.591 57.601 58.200 -0.013 0.000 1.101 169 S CB 0.678 64.016 63.200 0.230 0.000 0.995 169 S HN 0.364 nan 8.310 nan 0.000 0.468 170 E N 2.029 121.985 120.200 -0.407 0.000 2.212 170 E HA 0.588 4.953 4.350 0.026 0.000 0.268 170 E C -1.381 174.771 176.600 -0.746 0.000 0.902 170 E CA -0.588 55.622 56.400 -0.316 0.000 0.779 170 E CB 1.588 31.220 29.700 -0.113 0.000 1.172 170 E HN 0.416 nan 8.360 nan 0.000 0.409 171 F N 0.550 120.553 119.950 0.089 0.000 2.578 171 F HA 0.198 4.740 4.527 0.026 0.000 0.311 171 F C -0.088 175.733 175.800 0.034 0.000 1.094 171 F CA -1.140 56.874 58.000 0.024 0.000 0.923 171 F CB 1.611 40.589 39.000 -0.037 0.000 1.230 171 F HN 0.281 nan 8.300 nan 0.000 0.450 172 D N 2.857 123.376 120.400 0.199 0.000 2.317 172 D HA 0.246 4.901 4.640 0.026 0.000 0.252 172 D C 0.266 176.698 176.300 0.220 0.000 1.174 172 D CA 0.181 54.285 54.000 0.172 0.000 0.866 172 D CB 1.104 41.989 40.800 0.142 0.000 1.127 172 D HN 0.593 nan 8.370 nan 0.000 0.467 173 L N 2.784 124.143 121.223 0.227 0.000 2.640 173 L HA 0.038 4.393 4.340 0.026 0.000 0.230 173 L C 2.096 179.186 176.870 0.366 0.000 1.123 173 L CA -0.175 54.840 54.840 0.291 0.000 0.900 173 L CB 0.046 42.248 42.059 0.239 0.000 1.146 173 L HN 0.276 nan 8.230 nan 0.000 0.484 174 S N 1.362 117.224 115.700 0.270 0.000 2.392 174 S HA -0.265 4.220 4.470 0.026 0.000 0.232 174 S C 1.999 176.709 174.600 0.183 0.000 1.041 174 S CA 1.771 60.095 58.200 0.207 0.000 1.026 174 S CB -0.151 63.127 63.200 0.130 0.000 0.845 174 S HN 0.566 nan 8.310 nan 0.000 0.465 175 A N -0.779 122.151 122.820 0.182 0.000 2.275 175 A HA 0.414 4.749 4.320 0.026 0.000 0.212 175 A C 1.306 178.803 177.584 -0.145 0.000 1.201 175 A CA 0.069 52.095 52.037 -0.019 0.000 0.843 175 A CB -0.330 18.578 19.000 -0.154 0.000 0.873 175 A HN 0.468 nan 8.150 nan 0.000 0.492 176 F N -0.623 119.371 119.950 0.074 0.000 2.717 176 F HA 0.367 4.909 4.527 0.026 0.000 0.295 176 F C 0.722 176.560 175.800 0.063 0.000 1.117 176 F CA -0.000 58.042 58.000 0.071 0.000 1.361 176 F CB 0.209 39.260 39.000 0.084 0.000 1.112 176 F HN -0.006 nan 8.300 nan 0.000 0.594 177 L N 0.898 122.273 121.223 0.253 0.000 2.416 177 L HA 0.482 4.837 4.340 0.026 0.000 0.262 177 L C 0.142 177.053 176.870 0.069 0.000 1.093 177 L CA -0.712 54.215 54.840 0.145 0.000 0.801 177 L CB 1.048 43.205 42.059 0.162 0.000 1.191 177 L HN -0.004 nan 8.230 nan 0.000 0.459 178 R N 0.980 121.480 120.500 0.000 0.000 2.795 178 R HA 0.788 5.143 4.340 0.026 0.000 0.275 178 R C -1.084 175.188 176.300 -0.047 0.000 0.981 178 R CA -0.931 55.160 56.100 -0.015 0.000 0.917 178 R CB 1.538 31.820 30.300 -0.031 0.000 1.202 178 R HN 0.551 nan 8.270 nan 0.000 0.469 179 A N 1.379 124.183 122.820 -0.026 0.000 2.540 179 A HA 0.480 4.815 4.320 0.026 0.000 0.239 179 A C 1.046 178.582 177.584 -0.081 0.000 1.061 179 A CA 1.151 53.164 52.037 -0.040 0.000 0.758 179 A CB -0.682 18.309 19.000 -0.015 0.000 0.991 179 A HN 1.365 nan 8.150 nan 0.000 0.502 180 G N 1.852 110.584 108.800 -0.114 0.000 2.475 180 G HA2 -0.123 3.852 3.960 0.026 0.000 0.223 180 G HA3 -0.123 3.852 3.960 0.026 0.000 0.223 180 G C -0.376 174.404 174.900 -0.201 0.000 1.201 180 G CA 0.008 45.031 45.100 -0.129 0.000 0.962 180 G HN 0.980 nan 8.290 nan 0.000 0.586 181 E N 1.571 121.659 120.200 -0.187 0.000 2.289 181 E HA 0.468 4.834 4.350 0.026 0.000 0.278 181 E C -0.103 176.325 176.600 -0.286 0.000 1.032 181 E CA -0.277 55.976 56.400 -0.244 0.000 0.854 181 E CB 0.720 30.324 29.700 -0.160 0.000 1.046 181 E HN 0.439 nan 8.360 nan 0.000 0.409 182 N N 2.240 120.662 118.700 -0.464 0.000 2.357 182 N HA 0.396 5.151 4.740 0.026 0.000 0.284 182 N C -1.059 174.275 175.510 -0.293 0.000 1.236 182 N CA -0.756 52.036 53.050 -0.431 0.000 0.774 182 N CB 2.513 40.578 38.487 -0.702 0.000 1.534 182 N HN 0.283 nan 8.380 nan 0.000 0.478 183 R N 1.600 122.053 120.500 -0.079 0.000 2.502 183 R HA 0.456 4.812 4.340 0.026 0.000 0.300 183 R C -1.305 175.052 176.300 0.095 0.000 0.984 183 R CA -0.456 55.655 56.100 0.019 0.000 0.882 183 R CB 0.953 31.226 30.300 -0.044 0.000 1.180 183 R HN 0.493 nan 8.270 nan 0.000 0.444 184 L N 2.978 124.296 121.223 0.159 0.000 2.343 184 L HA 0.768 5.123 4.340 0.026 0.000 0.275 184 L C -0.170 176.756 176.870 0.093 0.000 1.056 184 L CA -0.897 54.042 54.840 0.165 0.000 0.804 184 L CB 1.886 44.048 42.059 0.171 0.000 1.203 184 L HN 0.738 nan 8.230 nan 0.000 0.440 185 A N 2.534 125.427 122.820 0.121 0.000 2.359 185 A HA 0.756 5.092 4.320 0.026 0.000 0.303 185 A C -1.120 176.747 177.584 0.472 0.000 1.066 185 A CA -0.453 51.579 52.037 -0.008 0.000 0.730 185 A CB 1.652 20.124 19.000 -0.881 0.000 1.211 185 A HN 0.365 nan 8.150 nan 0.000 0.439 186 V N 3.228 123.576 119.914 0.723 0.000 2.443 186 V HA 0.472 4.607 4.120 0.026 0.000 0.293 186 V C -0.135 176.483 176.094 0.872 0.000 1.021 186 V CA -0.258 62.462 62.300 0.699 0.000 0.848 186 V CB 1.486 33.529 31.823 0.367 0.000 0.998 186 V HN 0.962 nan 8.190 nan 0.000 0.424 187 M N 6.114 126.248 119.600 0.891 0.000 2.055 187 M HA 0.558 5.053 4.480 0.026 0.000 0.347 187 M C -1.438 175.123 176.300 0.434 0.000 1.123 187 M CA -0.363 55.292 55.300 0.593 0.000 1.035 187 M CB 1.026 34.032 32.600 0.676 0.000 1.484 187 M HN 0.478 nan 8.290 nan 0.000 0.428 188 V N 6.794 126.919 119.914 0.352 0.000 2.370 188 V HA 0.385 4.520 4.120 0.026 0.000 0.279 188 V C -0.097 176.160 176.094 0.271 0.000 1.029 188 V CA -0.673 61.837 62.300 0.349 0.000 0.870 188 V CB 1.371 33.487 31.823 0.488 0.000 0.984 188 V HN 0.794 nan 8.190 nan 0.000 0.451 189 L N 4.970 126.278 121.223 0.142 0.000 2.276 189 L HA 0.502 4.857 4.340 0.026 0.000 0.286 189 L C 1.585 178.471 176.870 0.027 0.000 1.061 189 L CA -0.337 54.512 54.840 0.015 0.000 0.807 189 L CB 1.097 43.066 42.059 -0.150 0.000 1.177 189 L HN 0.641 nan 8.230 nan 0.000 0.429 190 R N 2.885 123.357 120.500 -0.047 0.000 2.081 190 R HA -0.062 4.294 4.340 0.026 0.000 0.235 190 R C -0.401 175.567 176.300 -0.554 0.000 1.131 190 R CA 1.344 57.164 56.100 -0.467 0.000 0.960 190 R CB 0.223 30.084 30.300 -0.731 0.000 0.856 190 R HN 0.570 nan 8.270 nan 0.000 0.436 191 W N 0.127 121.490 121.300 0.105 0.000 2.666 191 W HA 0.415 5.090 4.660 0.025 0.000 0.334 191 W C -0.348 176.287 176.519 0.194 0.000 1.051 191 W CA -0.848 56.569 57.345 0.119 0.000 1.224 191 W CB 1.771 31.307 29.460 0.126 0.000 1.405 191 W HN -0.003 nan 8.180 nan 0.000 0.513 192 S N -1.016 114.977 115.700 0.487 0.000 2.752 192 S HA 0.238 4.724 4.470 0.026 0.000 0.284 192 S C 0.099 174.966 174.600 0.445 0.000 1.189 192 S CA -0.472 58.028 58.200 0.501 0.000 0.835 192 S CB 1.188 64.651 63.200 0.439 0.000 1.192 192 S HN 0.608 nan 8.310 nan 0.000 0.506 193 D N 0.188 120.854 120.400 0.442 0.000 2.310 193 D HA 0.096 4.751 4.640 0.026 0.000 0.212 193 D C 1.699 178.328 176.300 0.548 0.000 0.965 193 D CA 1.032 55.339 54.000 0.512 0.000 0.879 193 D CB -0.626 40.348 40.800 0.289 0.000 0.921 193 D HN 0.674 nan 8.370 nan 0.000 0.510 194 G N 0.177 109.209 108.800 0.388 0.000 2.443 194 G HA2 -0.231 3.744 3.960 0.026 0.000 0.219 194 G HA3 -0.231 3.744 3.960 0.026 0.000 0.219 194 G C 1.690 176.780 174.900 0.316 0.000 1.131 194 G CA 0.581 45.881 45.100 0.332 0.000 0.775 194 G HN 0.296 nan 8.290 nan 0.000 0.547 195 S N 0.120 115.993 115.700 0.288 0.000 2.419 195 S HA -0.146 4.339 4.470 0.026 0.000 0.235 195 S C 1.905 176.600 174.600 0.158 0.000 1.019 195 S CA 0.896 59.230 58.200 0.223 0.000 0.982 195 S CB -0.438 62.909 63.200 0.244 0.000 0.789 195 S HN 0.553 nan 8.310 nan 0.000 0.490 196 Y N 1.104 121.542 120.300 0.229 0.000 2.403 196 Y HA 0.055 4.620 4.550 0.025 0.000 0.291 196 Y C 1.632 177.643 175.900 0.185 0.000 1.143 196 Y CA 0.653 58.813 58.100 0.100 0.000 1.257 196 Y CB -0.217 38.118 38.460 -0.209 0.000 0.984 196 Y HN 0.204 nan 8.280 nan 0.000 0.550 197 L N -0.389 121.021 121.223 0.313 0.000 2.667 197 L HA 0.132 4.488 4.340 0.026 0.000 0.232 197 L C 0.027 177.032 176.870 0.226 0.000 1.138 197 L CA 0.355 55.336 54.840 0.236 0.000 0.921 197 L CB 0.113 42.317 42.059 0.241 0.000 1.180 197 L HN 0.128 nan 8.230 nan 0.000 0.487 198 E N -0.136 120.210 120.200 0.243 0.000 3.582 198 E HA 0.038 4.403 4.350 0.026 0.000 0.217 198 E C -0.449 176.254 176.600 0.171 0.000 1.092 198 E CA -0.071 56.456 56.400 0.212 0.000 1.365 198 E CB 0.465 30.283 29.700 0.197 0.000 1.278 198 E HN 0.040 nan 8.360 nan 0.000 0.439 199 D N 1.075 121.534 120.400 0.098 0.000 2.538 199 D HA 0.013 4.668 4.640 0.026 0.000 0.234 199 D C -0.187 176.098 176.300 -0.024 0.000 1.191 199 D CA -0.061 53.874 54.000 -0.107 0.000 0.828 199 D CB 0.175 40.622 40.800 -0.589 0.000 0.981 199 D HN 0.061 nan 8.370 nan 0.000 0.490 200 Q N 0.546 120.429 119.800 0.138 0.000 2.395 200 Q HA 0.093 4.449 4.340 0.026 0.000 0.271 200 Q C -0.160 175.965 176.000 0.209 0.000 1.026 200 Q CA 0.153 56.112 55.803 0.260 0.000 0.900 200 Q CB 0.612 29.650 28.738 0.500 0.000 1.266 200 Q HN 0.085 nan 8.270 nan 0.000 0.430 201 D N 3.423 123.971 120.400 0.247 0.000 2.398 201 D HA 0.190 4.845 4.640 0.026 0.000 0.250 201 D C -0.765 175.689 176.300 0.258 0.000 1.287 201 D CA 0.159 54.277 54.000 0.197 0.000 0.992 201 D CB -0.386 40.532 40.800 0.197 0.000 1.071 201 D HN 0.502 nan 8.370 nan 0.000 0.514 202 M N 0.595 120.312 119.600 0.195 0.000 3.069 202 M HA 0.358 4.854 4.480 0.026 0.000 0.274 202 M C -1.362 175.029 176.300 0.152 0.000 1.146 202 M CA -1.169 54.168 55.300 0.061 0.000 0.807 202 M CB 0.981 33.529 32.600 -0.087 0.000 1.621 202 M HN -0.069 nan 8.290 nan 0.000 0.521 203 W N 1.953 123.335 121.300 0.137 0.000 2.193 203 W HA 0.336 5.012 4.660 0.026 0.000 0.338 203 W C 0.286 176.824 176.519 0.031 0.000 1.310 203 W CA -0.051 57.370 57.345 0.127 0.000 1.243 203 W CB 0.343 29.819 29.460 0.027 0.000 1.165 203 W HN 0.286 nan 8.180 nan 0.000 0.566 204 R N 4.622 125.302 120.500 0.301 0.000 2.196 204 R HA 0.446 4.801 4.340 0.026 0.000 0.340 204 R C -0.157 176.144 176.300 0.003 0.000 1.043 204 R CA -0.234 55.957 56.100 0.151 0.000 0.883 204 R CB 0.264 30.724 30.300 0.266 0.000 1.078 204 R HN 0.572 nan 8.270 nan 0.000 0.462 205 M N 0.209 119.694 119.600 -0.192 0.000 2.812 205 M HA 0.509 5.004 4.480 0.026 0.000 0.285 205 M C -0.123 175.808 176.300 -0.615 0.000 1.216 205 M CA -0.850 54.213 55.300 -0.396 0.000 0.749 205 M CB 2.413 34.782 32.600 -0.384 0.000 1.756 205 M HN 0.649 nan 8.290 nan 0.000 0.439 206 S N -1.094 114.094 115.700 -0.854 0.000 2.615 206 S HA 0.983 5.469 4.470 0.026 0.000 0.269 206 S C -0.624 173.463 174.600 -0.855 0.000 1.161 206 S CA -0.167 57.446 58.200 -0.979 0.000 0.817 206 S CB 1.974 64.424 63.200 -1.250 0.000 1.131 206 S HN 1.469 nan 8.310 nan 0.000 0.467 207 G N -0.168 108.398 108.800 -0.390 0.000 2.354 207 G HA2 0.209 4.184 3.960 0.026 0.000 0.582 207 G HA3 0.209 4.184 3.960 0.026 0.000 0.582 207 G C -1.470 173.437 174.900 0.011 0.000 1.316 207 G CA -0.700 44.456 45.100 0.093 0.000 0.995 207 G HN 1.078 nan 8.290 nan 0.000 0.573 208 I N 2.010 122.422 120.570 -0.263 0.000 2.256 208 I HA 0.262 4.447 4.170 0.026 0.000 0.294 208 I C 1.142 177.131 176.117 -0.213 0.000 1.127 208 I CA -0.237 60.814 61.300 -0.415 0.000 1.247 208 I CB -0.160 37.312 38.000 -0.880 0.000 1.460 208 I HN 0.506 nan 8.210 nan 0.000 0.511 209 F N 4.250 124.047 119.950 -0.255 0.000 2.695 209 F HA 0.468 5.010 4.527 0.025 0.000 0.303 209 F C 0.685 176.404 175.800 -0.135 0.000 1.091 209 F CA -0.593 57.290 58.000 -0.195 0.000 1.300 209 F CB 0.093 38.983 39.000 -0.184 0.000 1.071 209 F HN 0.143 nan 8.300 nan 0.000 0.578 210 R N 0.495 120.564 120.500 -0.718 0.000 2.930 210 R HA 0.248 4.604 4.340 0.026 0.000 0.257 210 R C -0.657 175.439 176.300 -0.340 0.000 1.107 210 R CA -1.144 54.638 56.100 -0.529 0.000 0.999 210 R CB 0.808 30.700 30.300 -0.680 0.000 1.209 210 R HN -0.001 nan 8.270 nan 0.000 0.486 211 D N 0.755 121.002 120.400 -0.255 0.000 2.419 211 D HA 0.092 4.747 4.640 0.026 0.000 0.236 211 D C -0.394 175.768 176.300 -0.231 0.000 1.165 211 D CA 0.350 54.236 54.000 -0.191 0.000 0.882 211 D CB 0.763 41.493 40.800 -0.116 0.000 1.201 211 D HN -0.017 nan 8.370 nan 0.000 0.443 212 V N 1.202 120.991 119.914 -0.208 0.000 2.495 212 V HA 0.497 4.633 4.120 0.026 0.000 0.298 212 V C 0.069 176.042 176.094 -0.201 0.000 1.031 212 V CA -0.418 61.706 62.300 -0.294 0.000 0.871 212 V CB 1.739 33.416 31.823 -0.244 0.000 0.988 212 V HN 0.536 nan 8.190 nan 0.000 0.432 213 S N 4.026 119.584 115.700 -0.236 0.000 2.651 213 S HA 0.805 5.290 4.470 0.026 0.000 0.279 213 S C -1.496 173.050 174.600 -0.089 0.000 1.148 213 S CA -0.601 57.530 58.200 -0.116 0.000 0.837 213 S CB 2.110 65.276 63.200 -0.056 0.000 1.138 213 S HN 0.437 nan 8.310 nan 0.000 0.478 214 L N 2.126 123.363 121.223 0.024 0.000 2.362 214 L HA 0.725 5.080 4.340 0.026 0.000 0.275 214 L C -1.453 175.606 176.870 0.314 0.000 0.998 214 L CA -0.519 54.417 54.840 0.159 0.000 0.820 214 L CB 1.519 43.669 42.059 0.152 0.000 1.270 214 L HN 0.647 nan 8.230 nan 0.000 0.415 215 L N 4.229 125.607 121.223 0.259 0.000 2.362 215 L HA 0.511 4.866 4.340 0.026 0.000 0.275 215 L C -1.094 175.786 176.870 0.018 0.000 0.998 215 L CA -0.171 54.757 54.840 0.146 0.000 0.820 215 L CB 1.323 43.431 42.059 0.081 0.000 1.270 215 L HN 0.624 nan 8.230 nan 0.000 0.415 216 H N 5.198 124.024 119.070 -0.407 0.000 2.488 216 H HA 0.506 5.077 4.556 0.026 0.000 0.322 216 H C -1.279 173.821 175.328 -0.380 0.000 1.078 216 H CA -0.539 55.142 56.048 -0.612 0.000 1.260 216 H CB 1.186 30.019 29.762 -1.548 0.000 1.425 216 H HN 0.567 nan 8.280 nan 0.000 0.471 217 K N 5.175 125.185 120.400 -0.650 0.000 2.385 217 K HA 0.374 4.709 4.320 0.026 0.000 0.248 217 K C -2.709 173.635 176.600 -0.427 0.000 0.955 217 K CA -2.005 54.050 56.287 -0.387 0.000 0.816 217 K CB 2.206 34.543 32.500 -0.272 0.000 1.250 217 K HN 0.480 nan 8.250 nan 0.000 0.434 218 P HA 0.146 nan 4.420 nan 0.000 0.274 218 P C 0.579 177.799 177.300 -0.135 0.000 1.256 218 P CA -0.181 62.837 63.100 -0.136 0.000 0.795 218 P CB 0.452 32.118 31.700 -0.057 0.000 1.038 219 T N -0.957 113.548 114.554 -0.083 0.000 2.708 219 T HA -0.055 4.311 4.350 0.026 0.000 0.266 219 T C 0.617 175.279 174.700 -0.062 0.000 1.037 219 T CA 1.623 63.684 62.100 -0.066 0.000 1.146 219 T CB -0.600 68.250 68.868 -0.031 0.000 0.865 219 T HN 0.424 nan 8.240 nan 0.000 0.435 220 T N 3.672 118.198 114.554 -0.047 0.000 2.728 220 T HA 0.450 4.815 4.350 0.026 0.000 0.296 220 T C -0.242 174.424 174.700 -0.056 0.000 0.940 220 T CA -0.535 61.534 62.100 -0.051 0.000 1.013 220 T CB 0.579 69.436 68.868 -0.019 0.000 0.912 220 T HN 0.468 nan 8.240 nan 0.000 0.484 221 Q N 2.468 122.220 119.800 -0.080 0.000 2.565 221 Q HA 0.581 4.937 4.340 0.026 0.000 0.294 221 Q C -1.211 174.741 176.000 -0.080 0.000 1.005 221 Q CA -1.176 54.572 55.803 -0.091 0.000 0.771 221 Q CB 1.241 29.899 28.738 -0.134 0.000 1.486 221 Q HN 0.446 nan 8.270 nan 0.000 0.422 222 I N 2.544 123.044 120.570 -0.117 0.000 2.436 222 I HA 0.003 4.189 4.170 0.026 0.000 0.289 222 I C 0.837 176.888 176.117 -0.110 0.000 1.083 222 I CA 0.135 61.385 61.300 -0.084 0.000 1.372 222 I CB 1.010 38.919 38.000 -0.151 0.000 1.408 222 I HN 0.864 nan 8.210 nan 0.000 0.516 223 S N 2.759 118.493 115.700 0.057 0.000 2.502 223 S HA 0.184 4.670 4.470 0.026 0.000 0.215 223 S C 0.212 175.022 174.600 0.350 0.000 1.009 223 S CA -0.209 58.085 58.200 0.156 0.000 0.908 223 S CB 0.275 63.517 63.200 0.071 0.000 0.801 223 S HN 0.717 nan 8.310 nan 0.000 0.505 224 D N -0.344 120.253 120.400 0.329 0.000 2.728 224 D HA 0.505 5.160 4.640 0.026 0.000 0.249 224 D C -1.937 174.513 176.300 0.250 0.000 1.225 224 D CA -0.747 53.431 54.000 0.297 0.000 0.748 224 D CB 1.472 42.339 40.800 0.110 0.000 1.326 224 D HN 0.209 nan 8.370 nan 0.000 0.426 225 F N -0.595 119.405 119.950 0.082 0.000 2.635 225 F HA 0.620 5.162 4.527 0.026 0.000 0.314 225 F C -1.534 174.312 175.800 0.078 0.000 1.119 225 F CA -0.788 57.197 58.000 -0.026 0.000 1.000 225 F CB 1.194 40.230 39.000 0.061 0.000 1.278 225 F HN 0.251 nan 8.300 nan 0.000 0.446 226 H N 1.909 121.031 119.070 0.087 0.000 2.600 226 H HA 0.776 5.347 4.556 0.026 0.000 0.357 226 H C -1.289 174.080 175.328 0.069 0.000 1.106 226 H CA -1.523 54.520 56.048 -0.008 0.000 1.193 226 H CB 2.648 32.392 29.762 -0.030 0.000 1.594 226 H HN 0.619 nan 8.280 nan 0.000 0.526 227 V N 2.050 122.059 119.914 0.159 0.000 2.555 227 V HA 0.717 4.853 4.120 0.026 0.000 0.302 227 V C -0.296 175.800 176.094 0.002 0.000 1.038 227 V CA -0.553 61.798 62.300 0.085 0.000 0.887 227 V CB 1.475 33.346 31.823 0.080 0.000 0.991 227 V HN 0.956 nan 8.190 nan 0.000 0.434 228 A N 2.960 125.760 122.820 -0.034 0.000 2.469 228 A HA 0.980 5.316 4.320 0.026 0.000 0.299 228 A C -0.277 177.219 177.584 -0.147 0.000 1.098 228 A CA -0.448 51.548 52.037 -0.069 0.000 0.737 228 A CB 2.196 21.175 19.000 -0.035 0.000 1.312 228 A HN 0.979 nan 8.150 nan 0.000 0.414 229 T N -0.806 113.649 114.554 -0.165 0.000 2.949 229 T HA 0.670 5.035 4.350 0.026 0.000 0.300 229 T C -0.560 173.952 174.700 -0.312 0.000 0.988 229 T CA -0.751 61.170 62.100 -0.300 0.000 0.993 229 T CB 0.913 69.516 68.868 -0.441 0.000 0.984 229 T HN 1.095 nan 8.240 nan 0.000 0.442 230 R N 2.130 122.355 120.500 -0.458 0.000 2.778 230 R HA 0.856 5.211 4.340 0.026 0.000 0.277 230 R C -1.651 174.269 176.300 -0.633 0.000 0.977 230 R CA -0.874 55.031 56.100 -0.326 0.000 0.950 230 R CB 1.256 31.495 30.300 -0.102 0.000 1.165 230 R HN 0.458 nan 8.270 nan 0.000 0.474 231 F N 0.247 120.189 119.950 -0.013 0.000 2.664 231 F HA 0.404 4.945 4.527 0.024 0.000 0.329 231 F C 0.130 175.799 175.800 -0.218 0.000 1.090 231 F CA -1.114 56.821 58.000 -0.108 0.000 0.978 231 F CB 1.031 39.891 39.000 -0.234 0.000 1.378 231 F HN 0.709 nan 8.300 nan 0.000 0.495 232 N N -0.224 118.462 118.700 -0.024 0.000 2.418 232 N HA 0.106 4.862 4.740 0.026 0.000 0.283 232 N C 0.353 175.694 175.510 -0.281 0.000 1.267 232 N CA -0.213 52.773 53.050 -0.107 0.000 0.975 232 N CB -0.028 38.427 38.487 -0.054 0.000 1.167 232 N HN 0.624 nan 8.380 nan 0.000 0.581 233 D N -1.052 119.238 120.400 -0.183 0.000 2.123 233 D HA -0.252 4.403 4.640 0.026 0.000 0.196 233 D C 0.513 176.711 176.300 -0.170 0.000 0.992 233 D CA 1.746 55.642 54.000 -0.174 0.000 0.833 233 D CB -0.624 40.143 40.800 -0.056 0.000 0.954 233 D HN 0.758 nan 8.370 nan 0.000 0.455 234 D N -1.671 118.680 120.400 -0.083 0.000 2.363 234 D HA 0.002 4.658 4.640 0.026 0.000 0.214 234 D C 0.180 176.610 176.300 0.217 0.000 1.093 234 D CA -0.757 53.300 54.000 0.094 0.000 0.837 234 D CB -0.866 39.995 40.800 0.102 0.000 0.948 234 D HN 0.254 nan 8.370 nan 0.000 0.507 235 F N 0.071 120.076 119.950 0.092 0.000 2.988 235 F HA -0.287 4.254 4.527 0.024 0.000 0.287 235 F C 1.501 177.374 175.800 0.121 0.000 0.781 235 F CA 0.796 58.859 58.000 0.104 0.000 1.221 235 F CB -2.361 36.616 39.000 -0.038 0.000 1.392 235 F HN 0.202 nan 8.300 nan 0.000 0.425 236 S N -1.119 114.684 115.700 0.173 0.000 2.548 236 S HA 0.317 4.803 4.470 0.026 0.000 0.215 236 S C 0.564 175.216 174.600 0.087 0.000 0.976 236 S CA -0.119 58.156 58.200 0.124 0.000 0.908 236 S CB 0.411 63.659 63.200 0.081 0.000 0.781 236 S HN 0.441 nan 8.310 nan 0.000 0.519 237 R N 0.278 120.834 120.500 0.095 0.000 2.604 237 R HA 0.803 5.159 4.340 0.026 0.000 0.281 237 R C -1.226 175.095 176.300 0.036 0.000 1.020 237 R CA -0.392 55.729 56.100 0.034 0.000 0.899 237 R CB 2.139 32.437 30.300 -0.003 0.000 1.205 237 R HN 0.227 nan 8.270 nan 0.000 0.450 238 A N 1.726 124.504 122.820 -0.070 0.000 2.479 238 A HA 0.809 5.144 4.320 0.026 0.000 0.296 238 A C -1.172 176.316 177.584 -0.160 0.000 1.121 238 A CA -0.737 51.169 52.037 -0.219 0.000 0.743 238 A CB 1.985 20.802 19.000 -0.305 0.000 1.323 238 A HN 0.341 nan 8.150 nan 0.000 0.415 239 V N 1.251 121.048 119.914 -0.197 0.000 2.483 239 V HA 0.441 4.576 4.120 0.026 0.000 0.297 239 V C -0.565 175.468 176.094 -0.101 0.000 1.027 239 V CA -0.309 61.923 62.300 -0.113 0.000 0.855 239 V CB 1.294 33.056 31.823 -0.101 0.000 0.995 239 V HN 0.811 nan 8.190 nan 0.000 0.424 240 L N 4.298 125.501 121.223 -0.033 0.000 2.289 240 L HA 0.689 5.045 4.340 0.026 0.000 0.285 240 L C -0.098 176.739 176.870 -0.055 0.000 1.049 240 L CA 0.003 54.807 54.840 -0.061 0.000 0.804 240 L CB 1.362 43.410 42.059 -0.018 0.000 1.195 240 L HN 0.843 nan 8.230 nan 0.000 0.428 241 E N 4.465 124.628 120.200 -0.061 0.000 2.191 241 E HA 0.659 5.025 4.350 0.026 0.000 0.263 241 E C -1.526 175.071 176.600 -0.004 0.000 0.881 241 E CA -0.794 55.586 56.400 -0.032 0.000 0.757 241 E CB 1.784 31.464 29.700 -0.034 0.000 1.147 241 E HN 0.738 nan 8.360 nan 0.000 0.414 242 A N 4.709 127.534 122.820 0.007 0.000 2.291 242 A HA 0.307 4.642 4.320 0.026 0.000 0.311 242 A C -0.622 176.979 177.584 0.028 0.000 1.224 242 A CA -0.662 51.403 52.037 0.046 0.000 0.821 242 A CB 1.010 20.039 19.000 0.048 0.000 1.172 242 A HN 0.741 nan 8.150 nan 0.000 0.494 243 E N 2.696 122.916 120.200 0.033 0.000 2.167 243 E HA 0.508 4.873 4.350 0.026 0.000 0.284 243 E C -1.259 175.320 176.600 -0.035 0.000 1.016 243 E CA -0.291 56.093 56.400 -0.027 0.000 0.817 243 E CB 0.999 30.663 29.700 -0.060 0.000 1.080 243 E HN 0.392 nan 8.360 nan 0.000 0.397 244 V N 4.806 124.721 119.914 0.002 0.000 2.604 244 V HA 0.299 4.435 4.120 0.026 0.000 0.305 244 V C -0.361 175.805 176.094 0.121 0.000 1.043 244 V CA -0.816 61.530 62.300 0.076 0.000 0.888 244 V CB 1.686 33.547 31.823 0.064 0.000 0.995 244 V HN 0.731 nan 8.190 nan 0.000 0.429 245 Q N 3.872 123.737 119.800 0.109 0.000 2.348 245 Q HA 0.855 5.210 4.340 0.026 0.000 0.271 245 Q C -0.803 175.255 176.000 0.097 0.000 1.067 245 Q CA -0.920 54.940 55.803 0.096 0.000 0.839 245 Q CB 2.701 31.435 28.738 -0.007 0.000 1.354 245 Q HN 0.816 nan 8.270 nan 0.000 0.447 246 M N -1.075 118.496 119.600 -0.049 0.000 2.727 246 M HA 0.786 5.282 4.480 0.026 0.000 0.300 246 M C -1.368 174.839 176.300 -0.156 0.000 1.246 246 M CA -0.495 54.711 55.300 -0.156 0.000 0.835 246 M CB 1.706 34.033 32.600 -0.455 0.000 1.755 246 M HN 0.551 nan 8.290 nan 0.000 0.473 247 C N 0.546 119.768 119.300 -0.130 0.000 2.802 247 C HA 1.029 5.505 4.460 0.026 0.000 0.307 247 C C 0.442 175.363 174.990 -0.114 0.000 1.222 247 C CA 0.546 59.504 59.018 -0.099 0.000 1.580 247 C CB 1.159 28.868 27.740 -0.050 0.000 2.119 247 C HN 1.444 nan 8.230 nan 0.000 0.479 248 G N 1.734 110.476 108.800 -0.098 0.000 2.434 248 G HA2 0.032 4.008 3.960 0.026 0.000 0.671 248 G HA3 0.032 4.008 3.960 0.026 0.000 0.671 248 G C -1.082 173.753 174.900 -0.108 0.000 1.280 248 G CA -0.537 44.508 45.100 -0.090 0.000 0.975 248 G HN 0.942 nan 8.290 nan 0.000 0.510 249 E N -0.291 119.855 120.200 -0.089 0.000 2.259 249 E HA 0.458 4.824 4.350 0.026 0.000 0.281 249 E C 0.457 176.971 176.600 -0.142 0.000 1.037 249 E CA -0.504 55.839 56.400 -0.096 0.000 0.854 249 E CB 0.356 30.020 29.700 -0.060 0.000 1.051 249 E HN 0.460 nan 8.360 nan 0.000 0.409 250 L N 4.943 126.070 121.223 -0.160 0.000 2.397 250 L HA 0.352 4.708 4.340 0.026 0.000 0.271 250 L C 0.354 177.098 176.870 -0.210 0.000 1.148 250 L CA -0.228 54.492 54.840 -0.200 0.000 0.825 250 L CB 0.529 42.477 42.059 -0.185 0.000 1.117 250 L HN 0.460 nan 8.230 nan 0.000 0.456 251 R N 1.422 121.739 120.500 -0.304 0.000 2.651 251 R HA 0.207 4.563 4.340 0.026 0.000 0.278 251 R C -0.346 175.686 176.300 -0.448 0.000 1.010 251 R CA -0.809 54.981 56.100 -0.518 0.000 0.896 251 R CB 1.508 31.140 30.300 -1.113 0.000 1.211 251 R HN 0.525 nan 8.270 nan 0.000 0.456 252 D N 1.157 121.366 120.400 -0.318 0.000 2.263 252 D HA -0.142 4.513 4.640 0.026 0.000 0.208 252 D C 1.484 177.727 176.300 -0.096 0.000 0.971 252 D CA 1.602 55.519 54.000 -0.139 0.000 0.867 252 D CB 0.185 40.957 40.800 -0.048 0.000 0.929 252 D HN 0.572 nan 8.370 nan 0.000 0.492 253 Y N -0.056 120.259 120.300 0.025 0.000 2.546 253 Y HA 0.254 4.819 4.550 0.026 0.000 0.287 253 Y C 0.899 176.803 175.900 0.006 0.000 1.158 253 Y CA -0.516 57.593 58.100 0.016 0.000 1.307 253 Y CB -0.934 37.537 38.460 0.017 0.000 1.036 253 Y HN -0.194 nan 8.280 nan 0.000 0.532 254 L N 2.467 123.689 121.223 -0.002 0.000 2.467 254 L HA 0.215 4.571 4.340 0.026 0.000 0.270 254 L C 0.308 177.174 176.870 -0.007 0.000 1.205 254 L CA 0.141 55.046 54.840 0.108 0.000 0.828 254 L CB 0.383 42.538 42.059 0.159 0.000 1.101 254 L HN 0.204 nan 8.230 nan 0.000 0.479 255 R N 1.297 121.670 120.500 -0.212 0.000 2.764 255 R HA 0.650 5.005 4.340 0.026 0.000 0.270 255 R C -1.590 174.339 176.300 -0.617 0.000 1.014 255 R CA -0.768 55.050 56.100 -0.470 0.000 0.904 255 R CB 2.124 32.030 30.300 -0.657 0.000 1.236 255 R HN 0.266 nan 8.270 nan 0.000 0.466 256 V N 0.960 120.565 119.914 -0.514 0.000 2.588 256 V HA 0.498 4.634 4.120 0.026 0.000 0.304 256 V C -0.402 175.632 176.094 -0.099 0.000 1.042 256 V CA -0.561 61.544 62.300 -0.325 0.000 0.877 256 V CB 2.258 33.838 31.823 -0.406 0.000 0.996 256 V HN 0.727 nan 8.190 nan 0.000 0.425 257 T N 4.064 118.669 114.554 0.085 0.000 2.812 257 T HA 0.601 4.966 4.350 0.026 0.000 0.282 257 T C -0.582 174.135 174.700 0.027 0.000 0.990 257 T CA -0.378 61.784 62.100 0.103 0.000 0.960 257 T CB 1.628 70.593 68.868 0.162 0.000 0.948 257 T HN 0.341 nan 8.240 nan 0.000 0.438 258 V N 3.796 123.708 119.914 -0.003 0.000 2.417 258 V HA 0.739 4.875 4.120 0.026 0.000 0.291 258 V C 0.054 176.151 176.094 0.005 0.000 1.024 258 V CA -0.740 61.554 62.300 -0.009 0.000 0.861 258 V CB 1.654 33.463 31.823 -0.025 0.000 0.985 258 V HN 1.039 nan 8.190 nan 0.000 0.436 259 S N 5.143 120.872 115.700 0.048 0.000 2.542 259 S HA 0.871 5.356 4.470 0.026 0.000 0.293 259 S C -1.206 173.430 174.600 0.060 0.000 1.089 259 S CA -0.772 57.438 58.200 0.018 0.000 0.961 259 S CB 2.129 65.375 63.200 0.076 0.000 1.062 259 S HN 0.601 nan 8.310 nan 0.000 0.483 260 L N 2.200 123.356 121.223 -0.113 0.000 2.356 260 L HA 0.815 5.170 4.340 0.026 0.000 0.277 260 L C -2.024 174.738 176.870 -0.180 0.000 0.996 260 L CA -0.272 54.587 54.840 0.033 0.000 0.822 260 L CB 1.062 43.152 42.059 0.052 0.000 1.256 260 L HN 0.898 nan 8.230 nan 0.000 0.413 261 W N 3.668 125.069 121.300 0.170 0.000 2.666 261 W HA 0.596 5.271 4.660 0.025 0.000 0.334 261 W C -0.392 176.229 176.519 0.169 0.000 1.051 261 W CA -0.470 56.955 57.345 0.133 0.000 1.224 261 W CB 1.384 30.873 29.460 0.047 0.000 1.405 261 W HN 0.334 nan 8.180 nan 0.000 0.513 262 Q N 2.490 122.445 119.800 0.259 0.000 2.523 262 Q HA 0.423 4.778 4.340 0.026 0.000 0.251 262 Q C 0.622 176.641 176.000 0.032 0.000 1.033 262 Q CA 0.426 56.208 55.803 -0.036 0.000 0.746 262 Q CB 0.996 29.661 28.738 -0.123 0.000 1.189 262 Q HN 0.828 nan 8.270 nan 0.000 0.508 263 G N 3.529 112.353 108.800 0.040 0.000 2.550 263 G HA2 -0.308 3.667 3.960 0.026 0.000 0.277 263 G HA3 -0.308 3.667 3.960 0.026 0.000 0.277 263 G C 0.348 175.331 174.900 0.138 0.000 1.190 263 G CA 0.221 45.351 45.100 0.049 0.000 0.971 263 G HN 0.610 nan 8.290 nan 0.000 0.559 264 E N 1.314 121.586 120.200 0.119 0.000 2.489 264 E HA 0.182 4.547 4.350 0.026 0.000 0.193 264 E C 0.938 177.734 176.600 0.325 0.000 1.057 264 E CA 0.778 57.282 56.400 0.174 0.000 0.866 264 E CB 0.029 29.777 29.700 0.079 0.000 0.916 264 E HN 0.427 nan 8.360 nan 0.000 0.500 265 T N 1.515 116.227 114.554 0.263 0.000 2.799 265 T HA 0.179 4.545 4.350 0.026 0.000 0.286 265 T C 0.082 174.809 174.700 0.046 0.000 0.973 265 T CA -0.419 61.775 62.100 0.156 0.000 1.035 265 T CB 1.796 70.695 68.868 0.050 0.000 0.932 265 T HN -0.015 nan 8.240 nan 0.000 0.469 266 Q N 2.823 122.424 119.800 -0.333 0.000 2.279 266 Q HA 0.321 4.676 4.340 0.026 0.000 0.256 266 Q C 0.127 175.858 176.000 -0.449 0.000 0.937 266 Q CA -0.367 54.844 55.803 -0.986 0.000 0.933 266 Q CB 0.938 28.882 28.738 -1.324 0.000 1.189 266 Q HN 0.516 nan 8.270 nan 0.000 0.417 267 V N 2.765 122.478 119.914 -0.335 0.000 2.949 267 V HA 0.326 4.462 4.120 0.026 0.000 0.245 267 V C 0.126 176.114 176.094 -0.176 0.000 1.086 267 V CA 1.195 63.405 62.300 -0.151 0.000 1.097 267 V CB 0.626 32.446 31.823 -0.004 0.000 0.762 267 V HN 0.822 nan 8.190 nan 0.000 0.470 268 A N -1.322 121.353 122.820 -0.242 0.000 2.586 268 A HA 0.753 5.088 4.320 0.026 0.000 0.291 268 A C -0.856 176.614 177.584 -0.191 0.000 1.062 268 A CA 0.022 51.953 52.037 -0.176 0.000 0.666 268 A CB 1.746 20.679 19.000 -0.111 0.000 1.281 268 A HN 0.038 nan 8.150 nan 0.000 0.421 269 S N -0.957 114.664 115.700 -0.132 0.000 2.535 269 S HA 0.788 5.273 4.470 0.026 0.000 0.272 269 S C -0.532 174.032 174.600 -0.061 0.000 1.149 269 S CA 0.244 58.386 58.200 -0.097 0.000 0.888 269 S CB 1.628 64.764 63.200 -0.107 0.000 1.110 269 S HN 2.313 nan 8.310 nan 0.000 0.463 270 G N 1.661 110.436 108.800 -0.041 0.000 2.706 270 G HA2 0.668 4.643 3.960 0.026 0.000 0.297 270 G HA3 0.668 4.643 3.960 0.026 0.000 0.297 270 G C -1.398 173.489 174.900 -0.022 0.000 1.403 270 G CA -0.437 44.642 45.100 -0.035 0.000 0.954 270 G HN 0.703 nan 8.290 nan 0.000 0.500 271 T N -0.203 114.341 114.554 -0.018 0.000 2.912 271 T HA 0.837 5.202 4.350 0.026 0.000 0.299 271 T C -0.403 174.268 174.700 -0.048 0.000 1.052 271 T CA -0.069 62.027 62.100 -0.007 0.000 0.996 271 T CB 1.830 70.729 68.868 0.051 0.000 1.070 271 T HN 1.514 nan 8.240 nan 0.000 0.465 272 A N 3.491 126.248 122.820 -0.106 0.000 2.604 272 A HA 0.922 5.257 4.320 0.026 0.000 0.295 272 A C -3.076 174.380 177.584 -0.214 0.000 1.067 272 A CA -1.577 50.382 52.037 -0.129 0.000 0.683 272 A CB 1.396 20.325 19.000 -0.118 0.000 1.281 272 A HN 0.533 nan 8.150 nan 0.000 0.407 273 P HA 0.518 nan 4.420 nan 0.000 0.278 273 P C -0.513 176.656 177.300 -0.218 0.000 1.266 273 P CA -0.302 62.697 63.100 -0.167 0.000 0.807 273 P CB 0.448 32.117 31.700 -0.051 0.000 1.094 274 F N -0.346 119.568 119.950 -0.059 0.000 2.440 274 F HA 0.461 5.003 4.527 0.025 0.000 0.323 274 F C 1.441 177.226 175.800 -0.024 0.000 1.192 274 F CA 1.528 59.503 58.000 -0.042 0.000 1.252 274 F CB 0.286 39.256 39.000 -0.049 0.000 1.214 274 F HN 0.588 nan 8.300 nan 0.000 0.578 275 G N 1.386 110.327 108.800 0.235 0.000 2.951 275 G HA2 0.332 4.308 3.960 0.026 0.000 0.508 275 G HA3 0.332 4.308 3.960 0.026 0.000 0.508 275 G C -0.506 174.455 174.900 0.101 0.000 1.203 275 G CA -0.747 44.435 45.100 0.138 0.000 1.209 275 G HN 1.031 nan 8.290 nan 0.000 0.552 276 G N 0.696 109.575 108.800 0.132 0.000 2.580 276 G HA2 0.682 4.657 3.960 0.026 0.000 0.278 276 G HA3 0.682 4.657 3.960 0.026 0.000 0.278 276 G C 0.465 175.415 174.900 0.084 0.000 1.212 276 G CA -0.040 45.129 45.100 0.115 0.000 0.939 276 G HN 1.076 nan 8.290 nan 0.000 0.513 277 E N -0.525 119.717 120.200 0.070 0.000 2.408 277 E HA 0.148 4.514 4.350 0.026 0.000 0.259 277 E C 0.096 176.730 176.600 0.055 0.000 1.110 277 E CA -0.525 55.904 56.400 0.049 0.000 0.929 277 E CB 0.913 30.639 29.700 0.043 0.000 0.971 277 E HN 0.208 nan 8.360 nan 0.000 0.438 278 I N 2.125 122.714 120.570 0.032 0.000 2.710 278 I HA -0.140 4.045 4.170 0.026 0.000 0.286 278 I C 0.991 177.127 176.117 0.031 0.000 1.181 278 I CA 0.180 61.492 61.300 0.020 0.000 1.430 278 I CB 0.244 38.249 38.000 0.008 0.000 1.367 278 I HN 0.663 nan 8.210 nan 0.000 0.577 279 I N 3.744 124.328 120.570 0.024 0.000 3.039 279 I HA 0.037 4.222 4.170 0.026 0.000 0.270 279 I C 0.580 176.706 176.117 0.015 0.000 1.150 279 I CA 0.963 62.288 61.300 0.041 0.000 1.448 279 I CB -0.512 37.526 38.000 0.063 0.000 1.197 279 I HN 0.650 nan 8.210 nan 0.000 0.450 280 D N -1.278 119.116 120.400 -0.010 0.000 2.921 280 D HA 0.133 4.788 4.640 0.026 0.000 0.329 280 D C 0.408 176.696 176.300 -0.020 0.000 1.293 280 D CA -0.440 53.553 54.000 -0.011 0.000 0.964 280 D CB 0.542 41.335 40.800 -0.012 0.000 1.435 280 D HN -0.280 nan 8.370 nan 0.000 0.548 281 E N -1.021 119.168 120.200 -0.018 0.000 2.267 281 E HA -0.068 4.297 4.350 0.026 0.000 0.197 281 E C 1.373 177.957 176.600 -0.027 0.000 0.998 281 E CA 1.027 57.416 56.400 -0.018 0.000 0.830 281 E CB -0.014 29.678 29.700 -0.014 0.000 0.751 281 E HN 0.201 nan 8.360 nan 0.000 0.491 282 R N -0.459 120.016 120.500 -0.040 0.000 2.317 282 R HA 0.281 4.637 4.340 0.026 0.000 0.208 282 R C 0.808 177.068 176.300 -0.066 0.000 0.914 282 R CA 0.725 56.793 56.100 -0.053 0.000 1.060 282 R CB 0.603 30.864 30.300 -0.065 0.000 1.015 282 R HN 0.216 nan 8.270 nan 0.000 0.498 283 G N -0.815 107.949 108.800 -0.060 0.000 2.341 283 G HA2 -0.051 3.924 3.960 0.026 0.000 0.196 283 G HA3 -0.051 3.924 3.960 0.026 0.000 0.196 283 G C -0.327 174.526 174.900 -0.078 0.000 1.231 283 G CA -0.622 44.441 45.100 -0.061 0.000 1.155 283 G HN 0.451 nan 8.290 nan 0.000 0.529 284 G N -2.031 106.717 108.800 -0.086 0.000 3.086 284 G HA2 0.649 4.624 3.960 0.026 0.000 0.282 284 G HA3 0.649 4.624 3.960 0.026 0.000 0.282 284 G C -1.638 173.170 174.900 -0.152 0.000 1.343 284 G CA -0.721 44.339 45.100 -0.067 0.000 0.895 284 G HN 0.780 nan 8.290 nan 0.000 0.557 285 Y N 1.057 121.369 120.300 0.020 0.000 2.477 285 Y HA 0.432 4.997 4.550 0.025 0.000 0.349 285 Y C 1.460 177.379 175.900 0.032 0.000 0.977 285 Y CA 0.171 58.284 58.100 0.022 0.000 1.214 285 Y CB 1.670 40.148 38.460 0.030 0.000 1.124 285 Y HN 0.550 nan 8.280 nan 0.000 0.521 286 A N 1.874 124.753 122.820 0.097 0.000 2.121 286 A HA -0.149 4.186 4.320 0.026 0.000 0.218 286 A C 1.415 179.046 177.584 0.078 0.000 1.154 286 A CA 1.490 53.570 52.037 0.071 0.000 0.679 286 A CB -0.293 18.709 19.000 0.003 0.000 0.795 286 A HN 0.790 nan 8.150 nan 0.000 0.458 287 D N -0.942 119.504 120.400 0.076 0.000 2.388 287 D HA 0.151 4.806 4.640 0.026 0.000 0.221 287 D C 0.461 176.795 176.300 0.057 0.000 1.133 287 D CA -0.084 53.875 54.000 -0.068 0.000 0.831 287 D CB -0.039 40.711 40.800 -0.084 0.000 0.962 287 D HN 0.421 nan 8.370 nan 0.000 0.502 288 R N -1.068 119.606 120.500 0.290 0.000 2.817 288 R HA 0.760 5.116 4.340 0.026 0.000 0.268 288 R C -1.662 174.832 176.300 0.324 0.000 1.027 288 R CA -1.167 55.123 56.100 0.318 0.000 0.928 288 R CB 2.888 33.245 30.300 0.095 0.000 1.228 288 R HN -0.037 nan 8.270 nan 0.000 0.469 289 V N 0.246 120.245 119.914 0.141 0.000 3.000 289 V HA 0.484 4.619 4.120 0.026 0.000 0.300 289 V C -1.615 174.454 176.094 -0.041 0.000 1.251 289 V CA -0.259 62.031 62.300 -0.017 0.000 0.972 289 V CB 2.708 34.401 31.823 -0.217 0.000 1.065 289 V HN 0.811 nan 8.190 nan 0.000 0.431 290 T N 7.296 121.828 114.554 -0.037 0.000 2.812 290 T HA 0.596 4.962 4.350 0.026 0.000 0.282 290 T C -1.026 173.649 174.700 -0.042 0.000 0.990 290 T CA -0.406 61.675 62.100 -0.031 0.000 0.960 290 T CB 1.132 69.992 68.868 -0.014 0.000 0.948 290 T HN 0.435 nan 8.240 nan 0.000 0.438 291 L N 3.690 124.888 121.223 -0.043 0.000 2.322 291 L HA 0.586 4.942 4.340 0.026 0.000 0.279 291 L C 0.450 177.300 176.870 -0.033 0.000 1.036 291 L CA -0.384 54.429 54.840 -0.044 0.000 0.807 291 L CB 1.309 43.340 42.059 -0.048 0.000 1.226 291 L HN 0.541 nan 8.230 nan 0.000 0.433 292 R N 4.380 124.859 120.500 -0.035 0.000 2.476 292 R HA 0.694 5.050 4.340 0.026 0.000 0.305 292 R C -1.203 175.074 176.300 -0.038 0.000 0.965 292 R CA -0.739 55.340 56.100 -0.035 0.000 0.867 292 R CB 2.170 32.449 30.300 -0.034 0.000 1.176 292 R HN 0.473 nan 8.270 nan 0.000 0.447 293 L N 2.765 123.966 121.223 -0.037 0.000 2.362 293 L HA 0.458 4.814 4.340 0.026 0.000 0.275 293 L C -0.432 176.412 176.870 -0.044 0.000 0.998 293 L CA -1.041 53.775 54.840 -0.040 0.000 0.820 293 L CB 2.058 44.096 42.059 -0.034 0.000 1.270 293 L HN 0.545 nan 8.230 nan 0.000 0.415 294 N N 1.550 120.217 118.700 -0.055 0.000 2.498 294 N HA 0.538 5.294 4.740 0.026 0.000 0.287 294 N C -1.119 174.340 175.510 -0.085 0.000 1.097 294 N CA -0.512 52.499 53.050 -0.065 0.000 0.973 294 N CB 2.115 40.568 38.487 -0.057 0.000 1.153 294 N HN 0.192 nan 8.380 nan 0.000 0.472 295 V N 1.546 121.391 119.914 -0.114 0.000 2.447 295 V HA 0.229 4.364 4.120 0.026 0.000 0.292 295 V C -0.630 175.371 176.094 -0.155 0.000 1.021 295 V CA -0.858 61.332 62.300 -0.183 0.000 0.850 295 V CB 1.358 32.958 31.823 -0.371 0.000 1.005 295 V HN 0.593 nan 8.190 nan 0.000 0.426 296 E N 3.947 124.083 120.200 -0.107 0.000 2.283 296 E HA 0.330 4.695 4.350 0.026 0.000 0.278 296 E C 0.181 176.751 176.600 -0.050 0.000 1.027 296 E CA -0.365 55.998 56.400 -0.061 0.000 0.843 296 E CB 0.636 30.314 29.700 -0.038 0.000 1.062 296 E HN 0.665 nan 8.360 nan 0.000 0.401 297 N N 1.182 119.875 118.700 -0.011 0.000 2.705 297 N HA -0.120 4.635 4.740 0.026 0.000 0.255 297 N C -2.299 173.210 175.510 -0.001 0.000 1.008 297 N CA 0.389 53.449 53.050 0.016 0.000 0.742 297 N CB -1.345 37.154 38.487 0.020 0.000 0.906 297 N HN 0.357 nan 8.380 nan 0.000 0.541 298 P HA 0.066 nan 4.420 nan 0.000 0.271 298 P C 0.027 177.365 177.300 0.063 0.000 1.218 298 P CA 0.230 63.240 63.100 -0.150 0.000 0.780 298 P CB 0.806 32.224 31.700 -0.471 0.000 0.901 299 K N 2.421 122.958 120.400 0.229 0.000 2.310 299 K HA 0.277 4.613 4.320 0.026 0.000 0.290 299 K C 0.128 176.904 176.600 0.294 0.000 1.077 299 K CA -0.309 56.105 56.287 0.211 0.000 0.922 299 K CB -0.009 32.573 32.500 0.137 0.000 1.057 299 K HN 0.399 nan 8.250 nan 0.000 0.479 300 L N 2.666 123.985 121.223 0.159 0.000 2.371 300 L HA 0.279 4.635 4.340 0.026 0.000 0.272 300 L C 0.048 176.993 176.870 0.125 0.000 1.124 300 L CA -0.774 54.158 54.840 0.154 0.000 0.816 300 L CB 0.364 42.360 42.059 -0.105 0.000 1.129 300 L HN 0.593 nan 8.230 nan 0.000 0.448 301 W N 3.422 124.756 121.300 0.056 0.000 2.316 301 W HA 0.474 5.148 4.660 0.024 0.000 0.321 301 W C 0.064 176.533 176.519 -0.084 0.000 1.203 301 W CA 0.176 57.537 57.345 0.026 0.000 1.214 301 W CB 1.226 30.752 29.460 0.110 0.000 1.169 301 W HN 0.647 nan 8.180 nan 0.000 0.561 302 S N 2.716 117.808 115.700 -1.013 0.000 2.643 302 S HA 0.631 5.117 4.470 0.026 0.000 0.270 302 S C -0.012 173.792 174.600 -1.326 0.000 1.166 302 S CA -0.380 57.305 58.200 -0.857 0.000 0.815 302 S CB 1.052 64.003 63.200 -0.415 0.000 1.139 302 S HN 0.995 nan 8.310 nan 0.000 0.472 303 A N 0.127 122.375 122.820 -0.954 0.000 2.119 303 A HA 0.141 4.477 4.320 0.026 0.000 0.217 303 A C 1.651 178.921 177.584 -0.523 0.000 1.153 303 A CA 1.145 52.612 52.037 -0.950 0.000 0.692 303 A CB -0.831 17.470 19.000 -1.165 0.000 0.799 303 A HN 0.835 nan 8.150 nan 0.000 0.458 304 E N -0.703 119.322 120.200 -0.293 0.000 2.076 304 E HA 0.118 4.484 4.350 0.026 0.000 0.190 304 E C -0.259 176.209 176.600 -0.220 0.000 0.979 304 E CA 0.642 56.934 56.400 -0.180 0.000 0.807 304 E CB 0.103 29.828 29.700 0.042 0.000 0.761 304 E HN 0.575 nan 8.360 nan 0.000 0.454 305 I N 2.052 122.465 120.570 -0.261 0.000 2.542 305 I HA 0.158 4.344 4.170 0.026 0.000 0.278 305 I C -2.468 173.434 176.117 -0.358 0.000 1.069 305 I CA -1.869 59.296 61.300 -0.225 0.000 1.100 305 I CB 2.235 40.154 38.000 -0.135 0.000 1.204 305 I HN -0.200 nan 8.210 nan 0.000 0.470 306 P HA 0.080 nan 4.420 nan 0.000 0.225 306 P C -0.558 176.741 177.300 -0.003 0.000 1.768 306 P CA -0.259 62.568 63.100 -0.454 0.000 0.943 306 P CB -0.261 31.295 31.700 -0.240 0.000 1.936 307 N N 1.593 120.312 118.700 0.032 0.000 2.412 307 N HA 0.098 4.853 4.740 0.026 0.000 0.258 307 N C 0.125 175.844 175.510 0.348 0.000 1.236 307 N CA 0.542 53.676 53.050 0.139 0.000 0.882 307 N CB 0.759 39.325 38.487 0.131 0.000 1.066 307 N HN 0.302 nan 8.380 nan 0.000 0.465 308 L N 2.263 123.624 121.223 0.230 0.000 2.371 308 L HA 0.486 4.841 4.340 0.026 0.000 0.262 308 L C -0.828 176.137 176.870 0.159 0.000 1.006 308 L CA -0.889 54.133 54.840 0.303 0.000 0.818 308 L CB 1.278 43.480 42.059 0.238 0.000 1.354 308 L HN 0.377 nan 8.230 nan 0.000 0.415 309 Y N 0.204 120.655 120.300 0.251 0.000 2.650 309 Y HA 0.690 5.256 4.550 0.026 0.000 0.331 309 Y C -0.213 175.809 175.900 0.203 0.000 1.082 309 Y CA -0.920 57.332 58.100 0.254 0.000 1.171 309 Y CB 1.624 40.301 38.460 0.363 0.000 1.326 309 Y HN 0.382 nan 8.280 nan 0.000 0.513 310 R N 0.950 121.690 120.500 0.399 0.000 2.476 310 R HA 0.802 5.158 4.340 0.026 0.000 0.305 310 R C -1.681 174.805 176.300 0.311 0.000 0.965 310 R CA -0.491 55.772 56.100 0.271 0.000 0.867 310 R CB 1.086 31.488 30.300 0.171 0.000 1.176 310 R HN 0.759 nan 8.270 nan 0.000 0.447 311 A N 3.661 126.604 122.820 0.206 0.000 2.305 311 A HA 0.665 5.001 4.320 0.026 0.000 0.322 311 A C -1.019 176.620 177.584 0.091 0.000 1.187 311 A CA -0.633 51.507 52.037 0.171 0.000 0.825 311 A CB 1.349 20.412 19.000 0.105 0.000 1.164 311 A HN 0.481 nan 8.150 nan 0.000 0.498 312 V N 3.093 123.069 119.914 0.103 0.000 2.448 312 V HA 0.407 4.542 4.120 0.026 0.000 0.295 312 V C -0.461 175.601 176.094 -0.053 0.000 1.025 312 V CA -0.499 61.794 62.300 -0.011 0.000 0.859 312 V CB 1.696 33.529 31.823 0.016 0.000 0.988 312 V HN 0.629 nan 8.190 nan 0.000 0.431 313 V N 4.640 124.453 119.914 -0.169 0.000 2.334 313 V HA 0.426 4.561 4.120 0.026 0.000 0.281 313 V C -0.074 175.961 176.094 -0.099 0.000 1.016 313 V CA -0.577 61.613 62.300 -0.183 0.000 0.832 313 V CB 1.254 32.835 31.823 -0.404 0.000 0.999 313 V HN 0.916 nan 8.190 nan 0.000 0.439 314 E N 3.949 124.143 120.200 -0.010 0.000 2.151 314 E HA 0.482 4.848 4.350 0.026 0.000 0.275 314 E C -1.013 175.679 176.600 0.153 0.000 0.936 314 E CA -0.846 55.597 56.400 0.071 0.000 0.777 314 E CB 2.441 32.200 29.700 0.098 0.000 1.108 314 E HN 0.469 nan 8.360 nan 0.000 0.401 315 L N 4.855 126.146 121.223 0.114 0.000 2.272 315 L HA 0.383 4.738 4.340 0.026 0.000 0.289 315 L C -0.920 176.052 176.870 0.170 0.000 1.032 315 L CA 0.129 55.023 54.840 0.092 0.000 0.810 315 L CB 0.005 42.110 42.059 0.076 0.000 1.205 315 L HN 0.668 nan 8.230 nan 0.000 0.422 316 H N 0.244 119.349 119.070 0.059 0.000 2.933 316 H HA 0.767 5.338 4.556 0.026 0.000 0.310 316 H C -0.769 174.623 175.328 0.106 0.000 1.351 316 H CA -0.514 55.571 56.048 0.063 0.000 1.137 316 H CB 0.708 30.487 29.762 0.029 0.000 1.853 316 H HN 0.494 nan 8.280 nan 0.000 0.539 317 T N -2.186 112.507 114.554 0.231 0.000 2.927 317 T HA 0.560 4.925 4.350 0.026 0.000 0.281 317 T C 1.371 176.198 174.700 0.212 0.000 0.998 317 T CA -0.375 61.837 62.100 0.187 0.000 1.019 317 T CB 1.530 70.414 68.868 0.026 0.000 1.061 317 T HN 0.943 nan 8.240 nan 0.000 0.518 318 A N 1.279 124.198 122.820 0.165 0.000 1.978 318 A HA -0.087 4.248 4.320 0.026 0.000 0.220 318 A C 1.799 179.448 177.584 0.109 0.000 1.170 318 A CA 1.944 54.066 52.037 0.141 0.000 0.636 318 A CB -1.248 17.824 19.000 0.119 0.000 0.810 318 A HN 1.025 nan 8.150 nan 0.000 0.448 319 D N -2.424 118.009 120.400 0.056 0.000 2.371 319 D HA 0.273 4.928 4.640 0.026 0.000 0.221 319 D C 1.125 177.443 176.300 0.029 0.000 0.986 319 D CA 1.041 55.054 54.000 0.021 0.000 0.899 319 D CB -0.409 40.377 40.800 -0.024 0.000 0.902 319 D HN 0.812 nan 8.370 nan 0.000 0.530 320 G N -1.125 107.720 108.800 0.076 0.000 2.134 320 G HA2 -0.220 3.755 3.960 0.026 0.000 0.209 320 G HA3 -0.220 3.755 3.960 0.026 0.000 0.209 320 G C 0.148 175.058 174.900 0.016 0.000 0.993 320 G CA 0.062 45.181 45.100 0.031 0.000 0.669 320 G HN 0.402 nan 8.290 nan 0.000 0.519 321 T N 1.325 115.907 114.554 0.048 0.000 2.780 321 T HA 0.507 4.872 4.350 0.026 0.000 0.294 321 T C 0.391 175.137 174.700 0.076 0.000 0.949 321 T CA -0.269 61.850 62.100 0.032 0.000 1.074 321 T CB 1.821 70.696 68.868 0.012 0.000 0.910 321 T HN 0.531 nan 8.240 nan 0.000 0.501 322 L N 4.712 125.963 121.223 0.046 0.000 2.410 322 L HA 0.311 4.666 4.340 0.026 0.000 0.273 322 L C 0.735 177.650 176.870 0.075 0.000 1.152 322 L CA 0.451 55.333 54.840 0.069 0.000 0.855 322 L CB 0.024 42.099 42.059 0.027 0.000 1.129 322 L HN 0.709 nan 8.230 nan 0.000 0.463 323 I N 2.550 123.179 120.570 0.098 0.000 2.499 323 I HA 0.124 4.309 4.170 0.026 0.000 0.243 323 I C 0.313 176.456 176.117 0.043 0.000 1.085 323 I CA 0.448 61.789 61.300 0.069 0.000 1.422 323 I CB 0.161 38.208 38.000 0.078 0.000 1.165 323 I HN 0.801 nan 8.210 nan 0.000 0.440 324 E N 0.158 120.384 120.200 0.044 0.000 2.429 324 E HA 0.730 5.095 4.350 0.026 0.000 0.280 324 E C -1.473 175.149 176.600 0.037 0.000 1.068 324 E CA -1.130 55.286 56.400 0.028 0.000 0.837 324 E CB 1.918 31.601 29.700 -0.028 0.000 1.357 324 E HN 0.001 nan 8.360 nan 0.000 0.455 325 A N 0.996 123.860 122.820 0.073 0.000 2.449 325 A HA 0.672 5.007 4.320 0.026 0.000 0.302 325 A C -1.030 176.655 177.584 0.169 0.000 1.048 325 A CA -0.738 51.344 52.037 0.075 0.000 0.708 325 A CB 1.694 20.732 19.000 0.064 0.000 1.274 325 A HN 0.502 nan 8.150 nan 0.000 0.410 326 E N -0.262 119.959 120.200 0.037 0.000 2.355 326 E HA 0.873 5.239 4.350 0.026 0.000 0.261 326 E C -0.387 176.230 176.600 0.029 0.000 0.943 326 E CA -0.426 56.042 56.400 0.114 0.000 0.806 326 E CB 2.340 31.980 29.700 -0.099 0.000 1.286 326 E HN 1.290 nan 8.360 nan 0.000 0.424 327 A N -0.288 122.647 122.820 0.191 0.000 2.544 327 A HA 0.684 5.020 4.320 0.026 0.000 0.291 327 A C -1.261 176.493 177.584 0.284 0.000 1.055 327 A CA -0.309 51.767 52.037 0.065 0.000 0.651 327 A CB 0.574 19.554 19.000 -0.033 0.000 1.296 327 A HN 0.890 nan 8.150 nan 0.000 0.431 328 C N -0.693 118.739 119.300 0.220 0.000 3.311 328 C HA 0.799 5.274 4.460 0.026 0.000 0.325 328 C C -1.406 173.680 174.990 0.160 0.000 1.352 328 C CA -0.933 58.228 59.018 0.238 0.000 1.308 328 C CB 1.041 28.950 27.740 0.281 0.000 1.619 328 C HN 0.830 nan 8.230 nan 0.000 0.469 329 D N 1.049 121.531 120.400 0.136 0.000 2.304 329 D HA 0.544 5.200 4.640 0.026 0.000 0.250 329 D C -0.330 176.024 176.300 0.090 0.000 1.107 329 D CA 0.192 54.271 54.000 0.132 0.000 0.885 329 D CB 1.826 42.708 40.800 0.136 0.000 1.192 329 D HN 0.556 nan 8.370 nan 0.000 0.436 330 V N 1.147 121.132 119.914 0.118 0.000 2.495 330 V HA 0.662 4.797 4.120 0.026 0.000 0.298 330 V C 0.599 176.737 176.094 0.072 0.000 1.031 330 V CA -0.867 61.443 62.300 0.015 0.000 0.871 330 V CB 2.008 33.806 31.823 -0.042 0.000 0.988 330 V HN 0.600 nan 8.190 nan 0.000 0.432 331 G N 2.993 111.741 108.800 -0.086 0.000 2.487 331 G HA2 0.614 4.589 3.960 0.026 0.000 0.314 331 G HA3 0.614 4.589 3.960 0.026 0.000 0.314 331 G C -0.996 173.967 174.900 0.105 0.000 1.267 331 G CA -0.406 44.731 45.100 0.063 0.000 0.937 331 G HN 0.429 nan 8.290 nan 0.000 0.481 332 F N 3.768 123.919 119.950 0.335 0.000 2.462 332 F HA 0.418 4.960 4.527 0.025 0.000 0.360 332 F C 1.182 177.226 175.800 0.407 0.000 1.134 332 F CA -0.096 58.159 58.000 0.425 0.000 1.148 332 F CB 0.634 39.898 39.000 0.438 0.000 1.147 332 F HN 0.440 nan 8.300 nan 0.000 0.550 333 R N 3.046 123.834 120.500 0.480 0.000 2.629 333 R HA 0.414 4.769 4.340 0.026 0.000 0.266 333 R C -1.850 174.580 176.300 0.217 0.000 1.051 333 R CA -0.777 55.431 56.100 0.180 0.000 0.895 333 R CB 1.714 32.178 30.300 0.273 0.000 1.246 333 R HN 0.590 nan 8.270 nan 0.000 0.459 334 E N 2.380 122.601 120.200 0.035 0.000 2.171 334 E HA 0.459 4.825 4.350 0.026 0.000 0.271 334 E C -1.253 175.406 176.600 0.097 0.000 0.916 334 E CA -0.933 55.575 56.400 0.180 0.000 0.774 334 E CB 2.147 32.020 29.700 0.288 0.000 1.128 334 E HN 0.405 nan 8.360 nan 0.000 0.403 335 V N 5.410 125.383 119.914 0.099 0.000 2.448 335 V HA 0.587 4.723 4.120 0.026 0.000 0.295 335 V C -0.260 175.873 176.094 0.066 0.000 1.025 335 V CA -0.640 61.692 62.300 0.052 0.000 0.859 335 V CB 1.308 33.141 31.823 0.017 0.000 0.988 335 V HN 0.746 nan 8.190 nan 0.000 0.431 336 R N 4.242 124.776 120.500 0.058 0.000 2.663 336 R HA 0.708 5.063 4.340 0.026 0.000 0.267 336 R C -2.177 174.150 176.300 0.045 0.000 1.038 336 R CA -0.903 55.235 56.100 0.062 0.000 0.886 336 R CB 1.817 32.170 30.300 0.087 0.000 1.249 336 R HN 0.522 nan 8.270 nan 0.000 0.463 337 I N 1.696 122.292 120.570 0.044 0.000 2.339 337 I HA 0.352 4.537 4.170 0.026 0.000 0.290 337 I C -0.521 175.619 176.117 0.037 0.000 0.994 337 I CA -0.386 60.934 61.300 0.033 0.000 1.191 337 I CB 1.733 39.754 38.000 0.035 0.000 1.343 337 I HN 0.672 nan 8.210 nan 0.000 0.458 338 E N 6.361 126.579 120.200 0.031 0.000 2.290 338 E HA 0.215 4.580 4.350 0.026 0.000 0.274 338 E C -0.355 176.259 176.600 0.023 0.000 0.889 338 E CA -0.590 55.830 56.400 0.033 0.000 0.760 338 E CB 1.369 31.094 29.700 0.042 0.000 1.206 338 E HN 0.585 nan 8.360 nan 0.000 0.419 339 N N 2.772 121.485 118.700 0.023 0.000 2.714 339 N HA -0.241 4.514 4.740 0.026 0.000 0.250 339 N C 0.509 176.025 175.510 0.011 0.000 1.117 339 N CA 2.349 55.409 53.050 0.017 0.000 0.719 339 N CB -1.177 37.319 38.487 0.015 0.000 1.081 339 N HN 1.012 nan 8.380 nan 0.000 0.557 340 G N -2.423 106.385 108.800 0.012 0.000 2.175 340 G HA2 -0.260 3.716 3.960 0.026 0.000 0.244 340 G HA3 -0.260 3.716 3.960 0.026 0.000 0.244 340 G C -0.157 174.740 174.900 -0.005 0.000 0.982 340 G CA 0.368 45.472 45.100 0.006 0.000 0.641 340 G HN 0.439 nan 8.290 nan 0.000 0.527 341 L N 0.129 121.349 121.223 -0.005 0.000 2.365 341 L HA 0.699 5.054 4.340 0.026 0.000 0.273 341 L C 0.112 176.973 176.870 -0.016 0.000 1.000 341 L CA -1.338 53.491 54.840 -0.019 0.000 0.819 341 L CB 1.899 43.947 42.059 -0.019 0.000 1.284 341 L HN 0.092 nan 8.230 nan 0.000 0.418 342 L N 4.334 125.536 121.223 -0.035 0.000 2.315 342 L HA 0.406 4.762 4.340 0.026 0.000 0.283 342 L C -0.824 176.022 176.870 -0.039 0.000 1.089 342 L CA 0.516 55.335 54.840 -0.034 0.000 0.833 342 L CB 0.219 42.244 42.059 -0.056 0.000 1.170 342 L HN 0.389 nan 8.230 nan 0.000 0.442 343 L N 6.018 127.234 121.223 -0.012 0.000 2.346 343 L HA 0.551 4.906 4.340 0.026 0.000 0.274 343 L C -0.822 176.049 176.870 0.002 0.000 1.007 343 L CA -0.812 54.028 54.840 -0.000 0.000 0.818 343 L CB 1.990 44.073 42.059 0.040 0.000 1.284 343 L HN 0.550 nan 8.230 nan 0.000 0.424 344 L N 3.565 124.798 121.223 0.016 0.000 2.349 344 L HA 0.481 4.836 4.340 0.026 0.000 0.278 344 L C -0.234 176.636 176.870 0.001 0.000 0.996 344 L CA -0.121 54.733 54.840 0.024 0.000 0.825 344 L CB 0.927 42.996 42.059 0.016 0.000 1.243 344 L HN 0.625 nan 8.230 nan 0.000 0.412 345 N N 4.012 122.570 118.700 -0.237 0.000 2.708 345 N HA -0.220 4.535 4.740 0.026 0.000 0.249 345 N C 0.877 176.020 175.510 -0.611 0.000 1.097 345 N CA 1.367 53.926 53.050 -0.819 0.000 0.710 345 N CB -1.290 36.639 38.487 -0.931 0.000 1.032 345 N HN 1.160 nan 8.380 nan 0.000 0.551 346 G N -2.249 106.493 108.800 -0.096 0.000 2.199 346 G HA2 -0.341 3.634 3.960 0.026 0.000 0.254 346 G HA3 -0.341 3.634 3.960 0.026 0.000 0.254 346 G C -0.043 174.899 174.900 0.070 0.000 0.982 346 G CA 0.875 46.047 45.100 0.119 0.000 0.632 346 G HN 0.418 nan 8.290 nan 0.000 0.529 347 K N 0.667 121.096 120.400 0.048 0.000 2.267 347 K HA 0.569 4.905 4.320 0.026 0.000 0.246 347 K C -2.912 173.664 176.600 -0.040 0.000 0.954 347 K CA -2.176 54.102 56.287 -0.016 0.000 0.824 347 K CB 2.477 34.904 32.500 -0.122 0.000 1.167 347 K HN 0.031 nan 8.250 nan 0.000 0.431 348 P HA 0.228 nan 4.420 nan 0.000 0.282 348 P C -0.144 177.093 177.300 -0.104 0.000 1.274 348 P CA -0.240 62.815 63.100 -0.074 0.000 0.770 348 P CB 0.451 32.111 31.700 -0.066 0.000 0.867 349 L N 3.424 124.582 121.223 -0.108 0.000 2.453 349 L HA 0.305 4.660 4.340 0.026 0.000 0.261 349 L C 0.607 177.401 176.870 -0.126 0.000 1.179 349 L CA -0.581 54.186 54.840 -0.121 0.000 0.813 349 L CB 0.300 42.248 42.059 -0.186 0.000 1.110 349 L HN 0.259 nan 8.230 nan 0.000 0.466 350 L N 3.671 124.838 121.223 -0.093 0.000 2.427 350 L HA 0.415 4.771 4.340 0.026 0.000 0.264 350 L C -0.561 176.267 176.870 -0.070 0.000 0.989 350 L CA -0.270 54.495 54.840 -0.124 0.000 0.865 350 L CB 0.884 42.896 42.059 -0.077 0.000 1.209 350 L HN 0.242 nan 8.230 nan 0.000 0.430 351 I N 4.846 125.313 120.570 -0.172 0.000 2.421 351 I HA 0.180 4.366 4.170 0.026 0.000 0.291 351 I C 0.656 176.736 176.117 -0.061 0.000 1.089 351 I CA 0.299 61.506 61.300 -0.154 0.000 1.354 351 I CB 0.306 38.087 38.000 -0.365 0.000 1.413 351 I HN 0.555 nan 8.210 nan 0.000 0.513 352 R N 4.705 125.263 120.500 0.096 0.000 3.436 352 R HA 0.419 4.774 4.340 0.026 0.000 0.247 352 R C 0.578 177.020 176.300 0.237 0.000 1.434 352 R CA -0.265 55.938 56.100 0.172 0.000 1.543 352 R CB 0.759 30.972 30.300 -0.145 0.000 1.289 352 R HN 0.772 nan 8.270 nan 0.000 0.664 353 G N -0.013 108.875 108.800 0.146 0.000 2.521 353 G HA2 0.587 4.562 3.960 0.026 0.000 0.323 353 G HA3 0.587 4.562 3.960 0.026 0.000 0.323 353 G C -1.240 173.979 174.900 0.532 0.000 1.211 353 G CA -0.425 44.769 45.100 0.157 0.000 0.979 353 G HN 0.214 nan 8.290 nan 0.000 0.490 354 V N -0.176 120.015 119.914 0.462 0.000 3.012 354 V HA 0.452 4.588 4.120 0.026 0.000 0.307 354 V C -1.246 174.994 176.094 0.243 0.000 1.166 354 V CA -1.204 61.255 62.300 0.264 0.000 0.974 354 V CB 2.270 33.971 31.823 -0.203 0.000 1.040 354 V HN 0.752 nan 8.190 nan 0.000 0.428 355 N N 4.186 122.951 118.700 0.109 0.000 2.499 355 N HA 0.444 5.200 4.740 0.026 0.000 0.281 355 N C -0.751 174.578 175.510 -0.303 0.000 1.098 355 N CA -0.284 52.693 53.050 -0.121 0.000 0.979 355 N CB 1.528 39.914 38.487 -0.167 0.000 1.121 355 N HN 0.604 nan 8.380 nan 0.000 0.466 356 R N 2.268 122.559 120.500 -0.348 0.000 2.500 356 R HA 0.203 4.559 4.340 0.026 0.000 0.299 356 R C -0.914 175.157 176.300 -0.383 0.000 1.038 356 R CA -0.547 55.369 56.100 -0.306 0.000 0.903 356 R CB 0.711 30.815 30.300 -0.326 0.000 1.177 356 R HN 0.589 nan 8.270 nan 0.000 0.455 357 H N 2.125 121.046 119.070 -0.247 0.000 2.547 357 H HA 0.113 4.684 4.556 0.026 0.000 0.362 357 H C -0.450 174.880 175.328 0.004 0.000 1.181 357 H CA 0.156 56.151 56.048 -0.089 0.000 1.376 357 H CB 1.363 31.137 29.762 0.019 0.000 1.488 357 H HN 0.554 nan 8.280 nan 0.000 0.583 358 E N 1.935 122.335 120.200 0.334 0.000 1.996 358 E HA 0.090 4.455 4.350 0.026 0.000 0.280 358 E C -0.679 176.077 176.600 0.260 0.000 1.092 358 E CA 0.031 56.548 56.400 0.194 0.000 0.862 358 E CB 0.231 30.062 29.700 0.219 0.000 1.066 358 E HN 0.377 nan 8.360 nan 0.000 0.396 359 H N 1.815 120.946 119.070 0.102 0.000 2.856 359 H HA 0.257 4.829 4.556 0.026 0.000 0.355 359 H C -1.632 173.741 175.328 0.075 0.000 1.079 359 H CA -0.699 55.404 56.048 0.091 0.000 1.240 359 H CB 1.017 30.819 29.762 0.068 0.000 1.701 359 H HN 0.395 nan 8.280 nan 0.000 0.527 360 H N 6.134 124.871 119.070 -0.555 0.000 2.667 360 H HA 0.231 4.803 4.556 0.026 0.000 0.353 360 H C -2.288 172.664 175.328 -0.627 0.000 1.072 360 H CA -2.555 53.268 56.048 -0.374 0.000 1.214 360 H CB 2.582 32.265 29.762 -0.132 0.000 1.600 360 H HN 0.534 nan 8.280 nan 0.000 0.527 361 P HA -0.074 nan 4.420 nan 0.000 0.220 361 P C 1.321 178.549 177.300 -0.121 0.000 1.148 361 P CA 0.819 63.806 63.100 -0.188 0.000 0.803 361 P CB 0.807 32.432 31.700 -0.124 0.000 0.782 362 L N -2.014 119.242 121.223 0.054 0.000 2.316 362 L HA 0.084 4.440 4.340 0.026 0.000 0.207 362 L C 1.812 178.463 176.870 -0.365 0.000 1.070 362 L CA 0.785 55.474 54.840 -0.252 0.000 0.820 362 L CB -0.575 41.178 42.059 -0.509 0.000 0.992 362 L HN 0.037 nan 8.230 nan 0.000 0.466 363 H N -0.784 118.203 119.070 -0.139 0.000 2.542 363 H HA 0.297 4.868 4.556 0.025 0.000 0.283 363 H C 1.375 176.592 175.328 -0.185 0.000 1.059 363 H CA 0.172 56.085 56.048 -0.224 0.000 1.162 363 H CB 0.538 30.076 29.762 -0.372 0.000 1.539 363 H HN 0.346 nan 8.280 nan 0.000 0.543 364 G N 1.608 110.312 108.800 -0.160 0.000 2.574 364 G HA2 -0.423 3.552 3.960 0.026 0.000 0.301 364 G HA3 -0.423 3.552 3.960 0.026 0.000 0.301 364 G C 0.810 175.625 174.900 -0.142 0.000 1.166 364 G CA 0.573 45.532 45.100 -0.236 0.000 0.971 364 G HN 0.481 nan 8.290 nan 0.000 0.542 365 Q N -0.027 119.724 119.800 -0.081 0.000 2.247 365 Q HA 0.451 4.806 4.340 0.026 0.000 0.204 365 Q C 0.440 176.564 176.000 0.207 0.000 0.872 365 Q CA -0.081 55.730 55.803 0.013 0.000 0.951 365 Q CB 1.139 29.772 28.738 -0.174 0.000 1.099 365 Q HN 0.380 nan 8.270 nan 0.000 0.501 366 V N 2.155 122.158 119.914 0.148 0.000 2.508 366 V HA 0.125 4.261 4.120 0.026 0.000 0.281 366 V C 0.187 176.343 176.094 0.104 0.000 1.041 366 V CA 0.272 62.652 62.300 0.132 0.000 1.016 366 V CB 0.739 32.569 31.823 0.012 0.000 0.984 366 V HN 0.319 nan 8.190 nan 0.000 0.478 367 M N 4.774 124.431 119.600 0.094 0.000 2.472 367 M HA 0.501 4.996 4.480 0.026 0.000 0.331 367 M C -0.516 175.739 176.300 -0.075 0.000 1.170 367 M CA -0.588 54.726 55.300 0.023 0.000 1.009 367 M CB 1.694 34.273 32.600 -0.035 0.000 1.672 367 M HN 0.950 nan 8.290 nan 0.000 0.453 368 D N -1.219 119.155 120.400 -0.043 0.000 2.547 368 D HA 0.251 4.907 4.640 0.026 0.000 0.231 368 D C 0.414 176.701 176.300 -0.022 0.000 1.099 368 D CA -0.695 53.276 54.000 -0.049 0.000 0.901 368 D CB 1.526 42.330 40.800 0.007 0.000 1.478 368 D HN 0.694 nan 8.370 nan 0.000 0.471 369 E N 0.292 120.486 120.200 -0.011 0.000 2.097 369 E HA -0.372 3.994 4.350 0.026 0.000 0.196 369 E C 1.618 178.262 176.600 0.074 0.000 1.000 369 E CA 1.427 57.850 56.400 0.037 0.000 0.804 369 E CB 0.111 29.847 29.700 0.060 0.000 0.740 369 E HN 0.653 nan 8.360 nan 0.000 0.454 370 Q N -0.342 119.504 119.800 0.077 0.000 2.084 370 Q HA -0.146 4.209 4.340 0.026 0.000 0.202 370 Q C 1.971 178.032 176.000 0.102 0.000 0.978 370 Q CA 2.131 57.989 55.803 0.091 0.000 0.844 370 Q CB -0.013 28.780 28.738 0.092 0.000 0.898 370 Q HN 0.292 nan 8.270 nan 0.000 0.426 371 T N 0.922 115.549 114.554 0.121 0.000 2.777 371 T HA -0.120 4.245 4.350 0.026 0.000 0.266 371 T C 1.824 176.601 174.700 0.128 0.000 1.040 371 T CA 1.408 63.587 62.100 0.131 0.000 1.141 371 T CB -0.138 68.835 68.868 0.175 0.000 0.868 371 T HN 0.295 nan 8.240 nan 0.000 0.444 372 M N 0.583 120.264 119.600 0.135 0.000 2.065 372 M HA -0.110 4.385 4.480 0.026 0.000 0.259 372 M C 2.482 178.886 176.300 0.172 0.000 1.069 372 M CA 1.392 56.835 55.300 0.238 0.000 1.110 372 M CB -0.630 32.146 32.600 0.292 0.000 1.328 372 M HN 0.083 nan 8.290 nan 0.000 0.405 373 V N 0.310 120.273 119.914 0.081 0.000 2.332 373 V HA -0.331 3.804 4.120 0.026 0.000 0.248 373 V C 2.318 178.384 176.094 -0.047 0.000 1.055 373 V CA 2.222 64.502 62.300 -0.034 0.000 1.038 373 V CB -0.862 30.985 31.823 0.040 0.000 0.651 373 V HN 0.579 nan 8.190 nan 0.000 0.450 374 Q N -0.355 119.471 119.800 0.044 0.000 2.061 374 Q HA -0.272 4.083 4.340 0.026 0.000 0.204 374 Q C 1.990 178.050 176.000 0.100 0.000 0.984 374 Q CA 2.244 58.092 55.803 0.074 0.000 0.846 374 Q CB -0.156 28.644 28.738 0.103 0.000 0.902 374 Q HN 0.625 nan 8.270 nan 0.000 0.421 375 D N 0.358 120.832 120.400 0.123 0.000 2.092 375 D HA -0.158 4.497 4.640 0.026 0.000 0.193 375 D C 1.949 178.183 176.300 -0.110 0.000 0.994 375 D CA 1.275 55.337 54.000 0.103 0.000 0.828 375 D CB -0.254 40.596 40.800 0.083 0.000 0.963 375 D HN 0.355 nan 8.370 nan 0.000 0.450 376 I N 0.684 121.180 120.570 -0.123 0.000 2.163 376 I HA -0.257 3.928 4.170 0.026 0.000 0.243 376 I C 2.434 178.401 176.117 -0.249 0.000 1.085 376 I CA 0.777 61.901 61.300 -0.293 0.000 1.347 376 I CB -0.170 37.525 38.000 -0.509 0.000 1.044 376 I HN 0.014 nan 8.210 nan 0.000 0.408 377 L N -0.048 121.065 121.223 -0.183 0.000 2.056 377 L HA -0.212 4.143 4.340 0.026 0.000 0.207 377 L C 2.535 179.461 176.870 0.093 0.000 1.078 377 L CA 1.330 56.156 54.840 -0.023 0.000 0.749 377 L CB -0.563 41.508 42.059 0.020 0.000 0.901 377 L HN 0.296 nan 8.230 nan 0.000 0.433 378 L N -0.935 120.360 121.223 0.120 0.000 2.093 378 L HA -0.199 4.156 4.340 0.026 0.000 0.208 378 L C 2.669 179.689 176.870 0.250 0.000 1.085 378 L CA 1.099 56.093 54.840 0.256 0.000 0.755 378 L CB -0.225 42.094 42.059 0.433 0.000 0.904 378 L HN 0.273 nan 8.230 nan 0.000 0.435 379 M N -0.600 118.982 119.600 -0.030 0.000 2.080 379 M HA -0.255 4.241 4.480 0.026 0.000 0.260 379 M C 2.258 178.641 176.300 0.137 0.000 1.068 379 M CA 1.906 57.131 55.300 -0.125 0.000 1.109 379 M CB -0.318 31.991 32.600 -0.486 0.000 1.342 379 M HN 0.059 nan 8.290 nan 0.000 0.405 380 K N -0.071 120.313 120.400 -0.027 0.000 2.097 380 K HA -0.175 4.160 4.320 0.026 0.000 0.206 380 K C 1.971 178.551 176.600 -0.033 0.000 1.049 380 K CA 1.314 57.479 56.287 -0.204 0.000 0.933 380 K CB -0.234 31.953 32.500 -0.522 0.000 0.717 380 K HN 0.457 nan 8.250 nan 0.000 0.442 381 Q N 0.428 120.386 119.800 0.264 0.000 2.291 381 Q HA -0.054 4.302 4.340 0.026 0.000 0.206 381 Q C 0.842 177.142 176.000 0.501 0.000 0.976 381 Q CA 0.801 56.876 55.803 0.453 0.000 0.875 381 Q CB 0.098 29.070 28.738 0.390 0.000 0.927 381 Q HN 0.272 nan 8.270 nan 0.000 0.450 382 N N 0.620 119.567 118.700 0.411 0.000 2.279 382 N HA 0.052 4.808 4.740 0.026 0.000 0.226 382 N C -0.618 174.996 175.510 0.173 0.000 1.126 382 N CA 0.029 53.313 53.050 0.389 0.000 0.846 382 N CB 0.662 39.461 38.487 0.520 0.000 1.050 382 N HN 0.176 nan 8.380 nan 0.000 0.502 383 N N 0.087 118.896 118.700 0.181 0.000 2.782 383 N HA -0.183 4.572 4.740 0.026 0.000 0.251 383 N C -0.778 174.646 175.510 -0.143 0.000 1.101 383 N CA 0.817 53.914 53.050 0.078 0.000 0.764 383 N CB -1.733 36.706 38.487 -0.080 0.000 1.122 383 N HN 0.236 nan 8.380 nan 0.000 0.561 384 F N 1.205 121.174 119.950 0.032 0.000 2.371 384 F HA 0.316 4.858 4.527 0.025 0.000 0.329 384 F C 1.810 177.608 175.800 -0.003 0.000 1.107 384 F CA -0.534 57.472 58.000 0.010 0.000 1.137 384 F CB 0.685 39.674 39.000 -0.019 0.000 1.214 384 F HN 0.046 nan 8.300 nan 0.000 0.536 385 N N 0.270 119.091 118.700 0.201 0.000 2.160 385 N HA 0.454 5.210 4.740 0.026 0.000 0.226 385 N C -0.888 174.680 175.510 0.096 0.000 1.256 385 N CA -0.000 53.094 53.050 0.074 0.000 0.890 385 N CB 0.712 39.279 38.487 0.133 0.000 1.116 385 N HN 0.503 nan 8.380 nan 0.000 0.517 386 A N -0.571 122.381 122.820 0.220 0.000 2.606 386 A HA 0.758 5.093 4.320 0.026 0.000 0.293 386 A C -1.776 176.042 177.584 0.390 0.000 1.082 386 A CA -0.685 51.547 52.037 0.325 0.000 0.685 386 A CB 1.782 20.996 19.000 0.358 0.000 1.284 386 A HN 0.242 nan 8.150 nan 0.000 0.408 387 V N 1.030 121.222 119.914 0.464 0.000 2.971 387 V HA 0.816 4.951 4.120 0.026 0.000 0.309 387 V C -0.703 175.534 176.094 0.237 0.000 1.130 387 V CA -0.722 61.801 62.300 0.372 0.000 0.964 387 V CB 1.937 33.907 31.823 0.245 0.000 1.029 387 V HN 1.139 nan 8.190 nan 0.000 0.427 388 R N 4.808 125.289 120.500 -0.031 0.000 2.387 388 R HA 0.477 4.833 4.340 0.026 0.000 0.314 388 R C -0.767 175.387 176.300 -0.242 0.000 0.958 388 R CA -0.473 55.406 56.100 -0.368 0.000 0.846 388 R CB 1.145 30.978 30.300 -0.779 0.000 1.147 388 R HN 0.806 nan 8.270 nan 0.000 0.447 389 C N 4.509 123.696 119.300 -0.188 0.000 3.183 389 C HA 0.103 4.578 4.460 0.026 0.000 0.545 389 C C 0.562 175.267 174.990 -0.475 0.000 1.044 389 C CA -0.353 58.504 59.018 -0.269 0.000 1.117 389 C CB -2.141 25.555 27.740 -0.073 0.000 1.393 389 C HN 0.719 nan 8.230 nan 0.000 0.611 390 S N 1.285 116.589 115.700 -0.660 0.000 2.488 390 S HA 0.181 4.666 4.470 0.026 0.000 0.278 390 S C -0.098 173.611 174.600 -1.486 0.000 1.259 390 S CA 0.099 57.647 58.200 -1.087 0.000 1.061 390 S CB 0.235 62.720 63.200 -1.192 0.000 0.910 390 S HN 0.720 nan 8.310 nan 0.000 0.491 391 H N 3.723 122.225 119.070 -0.947 0.000 2.439 391 H HA 0.330 4.901 4.556 0.025 0.000 0.230 391 H C -1.134 174.101 175.328 -0.155 0.000 1.420 391 H CA -0.327 55.525 56.048 -0.325 0.000 1.305 391 H CB -0.197 29.569 29.762 0.007 0.000 1.667 391 H HN 0.887 nan 8.280 nan 0.000 0.515 392 Y N -2.782 117.624 120.300 0.176 0.000 2.732 392 Y HA 0.418 4.983 4.550 0.026 0.000 0.342 392 Y C -3.356 172.651 175.900 0.179 0.000 1.203 392 Y CA -3.169 55.042 58.100 0.184 0.000 1.092 392 Y CB 0.042 38.618 38.460 0.194 0.000 1.345 392 Y HN -0.099 nan 8.280 nan 0.000 0.458 393 P HA 0.183 nan 4.420 nan 0.000 0.269 393 P C -0.662 176.935 177.300 0.495 0.000 1.209 393 P CA 0.092 63.447 63.100 0.425 0.000 0.776 393 P CB 0.635 32.516 31.700 0.302 0.000 0.876 394 N N 0.154 119.149 118.700 0.492 0.000 2.530 394 N HA 0.114 4.869 4.740 0.026 0.000 0.283 394 N C -0.008 175.735 175.510 0.389 0.000 1.238 394 N CA -0.615 52.639 53.050 0.339 0.000 0.971 394 N CB 0.398 38.883 38.487 -0.004 0.000 1.195 394 N HN 0.591 nan 8.380 nan 0.000 0.583 395 H N 2.093 121.266 119.070 0.172 0.000 3.064 395 H HA -0.009 4.562 4.556 0.025 0.000 0.329 395 H C -1.639 173.859 175.328 0.283 0.000 1.020 395 H CA -0.597 55.541 56.048 0.150 0.000 1.402 395 H CB 0.994 30.809 29.762 0.088 0.000 1.379 395 H HN 0.414 nan 8.280 nan 0.000 0.594 396 P HA -0.195 nan 4.420 nan 0.000 0.218 396 P C 1.799 179.413 177.300 0.523 0.000 1.148 396 P CA 0.692 64.031 63.100 0.400 0.000 0.822 396 P CB 0.205 31.998 31.700 0.156 0.000 0.784 397 L N -1.135 120.482 121.223 0.657 0.000 2.201 397 L HA -0.024 4.332 4.340 0.026 0.000 0.212 397 L C 2.367 179.420 176.870 0.305 0.000 1.105 397 L CA 1.324 56.417 54.840 0.421 0.000 0.775 397 L CB -1.377 40.883 42.059 0.336 0.000 0.913 397 L HN 0.001 nan 8.230 nan 0.000 0.440 398 W N -0.355 120.988 121.300 0.072 0.000 2.304 398 W HA -0.368 4.307 4.660 0.025 0.000 0.315 398 W C 2.078 178.455 176.519 -0.237 0.000 1.233 398 W CA 2.155 59.404 57.345 -0.161 0.000 1.261 398 W CB -0.393 28.859 29.460 -0.346 0.000 1.150 398 W HN 0.279 nan 8.180 nan 0.000 0.494 399 Y N 0.473 120.714 120.300 -0.099 0.000 2.200 399 Y HA -0.205 4.360 4.550 0.025 0.000 0.290 399 Y C 2.861 178.542 175.900 -0.366 0.000 1.137 399 Y CA 2.164 59.986 58.100 -0.464 0.000 1.163 399 Y CB -1.234 36.582 38.460 -1.074 0.000 0.988 399 Y HN -0.225 nan 8.280 nan 0.000 0.518 400 T N 0.638 115.218 114.554 0.044 0.000 2.746 400 T HA -0.152 4.214 4.350 0.026 0.000 0.267 400 T C 1.982 176.730 174.700 0.080 0.000 1.039 400 T CA 1.332 63.535 62.100 0.172 0.000 1.142 400 T CB -0.513 68.501 68.868 0.244 0.000 0.866 400 T HN 0.233 nan 8.240 nan 0.000 0.444 401 L N 0.225 121.451 121.223 0.005 0.000 2.093 401 L HA -0.079 4.277 4.340 0.026 0.000 0.208 401 L C 2.833 179.680 176.870 -0.037 0.000 1.085 401 L CA 0.814 55.675 54.840 0.035 0.000 0.755 401 L CB -0.650 41.395 42.059 -0.023 0.000 0.904 401 L HN 0.368 nan 8.230 nan 0.000 0.435 402 C N -0.172 118.943 119.300 -0.309 0.000 2.440 402 C HA -0.132 4.343 4.460 0.026 0.000 0.278 402 C C 2.417 177.445 174.990 0.062 0.000 1.295 402 C CA 0.427 59.291 59.018 -0.258 0.000 1.738 402 C CB -0.728 26.740 27.740 -0.454 0.000 1.987 402 C HN 0.540 nan 8.230 nan 0.000 0.492 403 D N 0.440 120.887 120.400 0.079 0.000 2.117 403 D HA -0.100 4.556 4.640 0.026 0.000 0.197 403 D C 2.381 178.892 176.300 0.352 0.000 0.987 403 D CA 1.189 55.318 54.000 0.215 0.000 0.829 403 D CB -0.349 40.536 40.800 0.142 0.000 0.961 403 D HN 0.534 nan 8.370 nan 0.000 0.460 404 R N -0.969 119.636 120.500 0.176 0.000 2.100 404 R HA 0.017 4.372 4.340 0.026 0.000 0.220 404 R C 2.034 178.317 176.300 -0.029 0.000 1.091 404 R CA 0.538 56.678 56.100 0.067 0.000 0.986 404 R CB -0.109 30.160 30.300 -0.052 0.000 0.888 404 R HN 0.278 nan 8.270 nan 0.000 0.444 405 Y N -0.099 120.218 120.300 0.029 0.000 2.490 405 Y HA 0.190 4.755 4.550 0.025 0.000 0.285 405 Y C 0.956 176.797 175.900 -0.097 0.000 1.117 405 Y CA 0.623 58.715 58.100 -0.014 0.000 1.262 405 Y CB 0.709 39.135 38.460 -0.057 0.000 1.043 405 Y HN 0.211 nan 8.280 nan 0.000 0.553 406 G N 1.364 110.209 108.800 0.074 0.000 2.929 406 G HA2 -0.167 3.808 3.960 0.026 0.000 0.335 406 G HA3 -0.167 3.808 3.960 0.026 0.000 0.335 406 G C -1.164 173.589 174.900 -0.245 0.000 1.054 406 G CA -0.530 44.490 45.100 -0.134 0.000 1.067 406 G HN 0.175 nan 8.290 nan 0.000 0.472 407 L N 1.314 122.468 121.223 -0.115 0.000 2.455 407 L HA 0.461 4.817 4.340 0.026 0.000 0.264 407 L C -0.043 176.849 176.870 0.037 0.000 0.968 407 L CA -1.239 53.499 54.840 -0.170 0.000 0.827 407 L CB 2.040 44.014 42.059 -0.142 0.000 1.317 407 L HN 0.499 nan 8.230 nan 0.000 0.407 408 Y N 2.071 122.510 120.300 0.231 0.000 2.377 408 Y HA 0.367 4.934 4.550 0.029 0.000 0.330 408 Y C 0.222 176.259 175.900 0.228 0.000 1.108 408 Y CA -0.703 57.564 58.100 0.279 0.000 1.308 408 Y CB 1.310 39.914 38.460 0.241 0.000 1.216 408 Y HN 0.172 nan 8.280 nan 0.000 0.518 409 V N 4.499 124.607 119.914 0.324 0.000 2.680 409 V HA 0.336 4.471 4.120 0.026 0.000 0.309 409 V C -0.589 175.588 176.094 0.138 0.000 1.052 409 V CA -0.999 61.430 62.300 0.215 0.000 0.908 409 V CB 2.052 33.967 31.823 0.153 0.000 1.001 409 V HN 0.443 nan 8.190 nan 0.000 0.431 410 V N 3.178 123.139 119.914 0.078 0.000 2.328 410 V HA 0.342 4.478 4.120 0.026 0.000 0.278 410 V C -0.359 175.771 176.094 0.061 0.000 1.021 410 V CA -0.426 61.873 62.300 -0.003 0.000 0.838 410 V CB 1.422 33.134 31.823 -0.185 0.000 0.999 410 V HN 0.856 nan 8.190 nan 0.000 0.447 411 D N 4.160 124.638 120.400 0.130 0.000 2.249 411 D HA 0.311 4.967 4.640 0.026 0.000 0.246 411 D C -0.217 176.274 176.300 0.319 0.000 1.114 411 D CA -0.021 54.153 54.000 0.289 0.000 0.854 411 D CB 1.347 42.376 40.800 0.381 0.000 1.132 411 D HN 0.693 nan 8.370 nan 0.000 0.461 412 E N 1.858 122.210 120.200 0.254 0.000 2.210 412 E HA 0.610 4.975 4.350 0.026 0.000 0.266 412 E C -1.044 175.693 176.600 0.228 0.000 0.883 412 E CA -1.071 55.465 56.400 0.226 0.000 0.761 412 E CB 1.407 31.195 29.700 0.147 0.000 1.156 412 E HN 0.450 nan 8.360 nan 0.000 0.412 413 A N 3.730 126.675 122.820 0.208 0.000 2.483 413 A HA 0.031 4.366 4.320 0.026 0.000 0.238 413 A C 0.340 178.047 177.584 0.204 0.000 1.070 413 A CA -0.158 51.982 52.037 0.171 0.000 0.770 413 A CB 0.089 19.153 19.000 0.106 0.000 1.008 413 A HN 0.698 nan 8.150 nan 0.000 0.497 414 N N 1.308 120.138 118.700 0.217 0.000 2.971 414 N HA 0.252 5.007 4.740 0.026 0.000 0.294 414 N C -1.020 174.616 175.510 0.210 0.000 1.210 414 N CA 0.256 53.468 53.050 0.270 0.000 1.157 414 N CB -0.829 37.816 38.487 0.264 0.000 1.450 414 N HN 0.476 nan 8.380 nan 0.000 0.527 415 I N 1.061 121.748 120.570 0.194 0.000 2.497 415 I HA 0.254 4.439 4.170 0.026 0.000 0.284 415 I C -0.660 175.551 176.117 0.157 0.000 1.060 415 I CA -0.597 60.798 61.300 0.159 0.000 1.071 415 I CB 1.711 39.779 38.000 0.113 0.000 1.216 415 I HN 0.266 nan 8.210 nan 0.000 0.442 416 E N 4.472 124.760 120.200 0.148 0.000 2.287 416 E HA 0.382 4.748 4.350 0.026 0.000 0.274 416 E C -0.678 175.976 176.600 0.090 0.000 0.896 416 E CA -0.498 55.960 56.400 0.097 0.000 0.788 416 E CB 1.635 31.375 29.700 0.065 0.000 1.244 416 E HN 0.576 nan 8.360 nan 0.000 0.408 417 T N 0.675 115.276 114.554 0.079 0.000 3.448 417 T HA 0.163 4.528 4.350 0.026 0.000 0.271 417 T C 0.852 175.599 174.700 0.080 0.000 1.002 417 T CA -0.354 61.822 62.100 0.126 0.000 0.995 417 T CB -0.296 68.638 68.868 0.110 0.000 1.153 417 T HN 0.670 nan 8.240 nan 0.000 0.510 418 H N 1.201 120.179 119.070 -0.153 0.000 2.390 418 H HA -0.057 4.515 4.556 0.027 0.000 0.298 418 H C 2.276 177.491 175.328 -0.188 0.000 1.106 418 H CA 1.299 57.237 56.048 -0.183 0.000 1.297 418 H CB -0.148 29.466 29.762 -0.247 0.000 1.375 418 H HN 0.588 nan 8.280 nan 0.000 0.509 419 G N 0.066 108.746 108.800 -0.199 0.000 2.848 419 G HA2 -0.024 3.951 3.960 0.026 0.000 0.208 419 G HA3 -0.024 3.951 3.960 0.026 0.000 0.208 419 G C 0.422 175.468 174.900 0.244 0.000 1.152 419 G CA -0.192 44.843 45.100 -0.109 0.000 0.789 419 G HN 0.136 nan 8.290 nan 0.000 0.531 420 M N 0.359 120.130 119.600 0.285 0.000 2.198 420 M HA 0.320 4.815 4.480 0.026 0.000 0.315 420 M C -0.316 176.024 176.300 0.067 0.000 1.134 420 M CA -0.377 55.025 55.300 0.169 0.000 1.171 420 M CB 1.381 34.034 32.600 0.089 0.000 1.413 420 M HN -0.202 nan 8.290 nan 0.000 0.467 421 V N 3.793 123.722 119.914 0.024 0.000 2.447 421 V HA 0.363 4.498 4.120 0.026 0.000 0.292 421 V C -2.010 174.077 176.094 -0.012 0.000 1.021 421 V CA -1.300 61.001 62.300 0.001 0.000 0.850 421 V CB 1.715 33.533 31.823 -0.009 0.000 1.005 421 V HN 0.725 nan 8.190 nan 0.000 0.426 422 P HA 0.273 nan 4.420 nan 0.000 0.277 422 P C 1.000 178.305 177.300 0.008 0.000 1.276 422 P CA -0.535 62.563 63.100 -0.003 0.000 0.788 422 P CB 1.057 32.756 31.700 -0.002 0.000 1.114 423 M N 0.512 120.124 119.600 0.019 0.000 2.279 423 M HA -0.160 4.335 4.480 0.026 0.000 0.264 423 M C 1.123 177.449 176.300 0.042 0.000 1.062 423 M CA 1.732 57.054 55.300 0.037 0.000 1.099 423 M CB -0.470 32.144 32.600 0.023 0.000 1.394 423 M HN 0.358 nan 8.290 nan 0.000 0.426 424 N N -0.116 118.608 118.700 0.040 0.000 2.322 424 N HA -0.062 4.693 4.740 0.026 0.000 0.216 424 N C 1.067 176.562 175.510 -0.025 0.000 1.144 424 N CA 0.118 53.192 53.050 0.041 0.000 0.830 424 N CB -0.710 37.818 38.487 0.068 0.000 1.034 424 N HN 0.355 nan 8.380 nan 0.000 0.484 425 R N 0.405 120.877 120.500 -0.048 0.000 2.091 425 R HA -0.007 4.349 4.340 0.026 0.000 0.238 425 R C 1.440 177.645 176.300 -0.158 0.000 1.136 425 R CA 1.356 57.403 56.100 -0.089 0.000 0.959 425 R CB -0.042 30.203 30.300 -0.091 0.000 0.856 425 R HN 0.291 nan 8.270 nan 0.000 0.437 426 L N -0.531 120.535 121.223 -0.260 0.000 2.127 426 L HA -0.022 4.334 4.340 0.026 0.000 0.203 426 L C 2.549 179.293 176.870 -0.209 0.000 1.080 426 L CA 1.352 55.926 54.840 -0.443 0.000 0.768 426 L CB -0.680 40.844 42.059 -0.891 0.000 0.924 426 L HN 0.359 nan 8.230 nan 0.000 0.444 427 T N -3.998 110.454 114.554 -0.170 0.000 2.977 427 T HA -0.196 4.169 4.350 0.026 0.000 0.271 427 T C 1.299 175.905 174.700 -0.156 0.000 1.105 427 T CA 1.469 63.444 62.100 -0.208 0.000 1.116 427 T CB -0.261 68.416 68.868 -0.318 0.000 0.878 427 T HN 0.145 nan 8.240 nan 0.000 0.509 428 D N 0.938 121.285 120.400 -0.089 0.000 2.349 428 D HA 0.108 4.763 4.640 0.026 0.000 0.214 428 D C -0.190 176.091 176.300 -0.031 0.000 1.063 428 D CA -0.203 53.758 54.000 -0.065 0.000 0.847 428 D CB -0.045 40.723 40.800 -0.053 0.000 0.933 428 D HN 0.323 nan 8.370 nan 0.000 0.513 429 D N -0.044 120.354 120.400 -0.003 0.000 2.274 429 D HA 0.107 4.762 4.640 0.026 0.000 0.239 429 D C -1.615 174.731 176.300 0.077 0.000 1.104 429 D CA -2.175 51.856 54.000 0.052 0.000 0.840 429 D CB 1.997 42.868 40.800 0.117 0.000 1.100 429 D HN -0.028 nan 8.370 nan 0.000 0.477 430 P HA -0.138 nan 4.420 nan 0.000 0.219 430 P C 1.032 178.334 177.300 0.003 0.000 1.146 430 P CA 0.786 63.894 63.100 0.012 0.000 0.808 430 P CB 0.261 31.958 31.700 -0.006 0.000 0.779 431 R N -1.390 119.115 120.500 0.008 0.000 2.159 431 R HA -0.115 4.241 4.340 0.026 0.000 0.237 431 R C 1.681 177.847 176.300 -0.224 0.000 1.131 431 R CA 1.282 57.317 56.100 -0.108 0.000 0.982 431 R CB -0.848 29.367 30.300 -0.142 0.000 0.868 431 R HN 0.354 nan 8.270 nan 0.000 0.453 432 W N 0.354 121.600 121.300 -0.089 0.000 3.278 432 W HA 0.141 4.816 4.660 0.025 0.000 0.308 432 W C 1.619 178.083 176.519 -0.091 0.000 1.253 432 W CA -0.515 56.778 57.345 -0.087 0.000 1.759 432 W CB -0.003 29.402 29.460 -0.091 0.000 1.093 432 W HN 0.009 nan 8.180 nan 0.000 0.648 433 L N 2.035 123.284 121.223 0.043 0.000 2.083 433 L HA -0.027 4.328 4.340 0.026 0.000 0.209 433 L C -0.764 176.076 176.870 -0.051 0.000 1.083 433 L CA 2.108 56.941 54.840 -0.012 0.000 0.752 433 L CB -1.502 40.538 42.059 -0.031 0.000 0.899 433 L HN -0.244 nan 8.230 nan 0.000 0.433 434 P HA -0.106 nan 4.420 nan 0.000 0.215 434 P C 1.607 178.855 177.300 -0.085 0.000 1.157 434 P CA 2.041 65.082 63.100 -0.099 0.000 0.863 434 P CB -0.201 31.430 31.700 -0.115 0.000 0.787 435 A N -0.828 121.954 122.820 -0.064 0.000 1.902 435 A HA -0.183 4.153 4.320 0.026 0.000 0.217 435 A C 2.237 179.839 177.584 0.029 0.000 1.181 435 A CA 1.879 53.911 52.037 -0.008 0.000 0.623 435 A CB -1.480 17.537 19.000 0.029 0.000 0.818 435 A HN 0.093 nan 8.150 nan 0.000 0.443 436 M N 0.216 119.843 119.600 0.046 0.000 2.117 436 M HA -0.160 4.335 4.480 0.026 0.000 0.262 436 M C 2.587 178.841 176.300 -0.076 0.000 1.065 436 M CA 1.790 57.093 55.300 0.005 0.000 1.114 436 M CB -0.455 32.127 32.600 -0.030 0.000 1.361 436 M HN 0.674 nan 8.290 nan 0.000 0.408 437 S N 0.732 116.360 115.700 -0.120 0.000 2.365 437 S HA -0.221 4.265 4.470 0.026 0.000 0.225 437 S C 1.608 176.049 174.600 -0.265 0.000 1.039 437 S CA 1.760 59.824 58.200 -0.227 0.000 1.033 437 S CB -0.706 62.339 63.200 -0.260 0.000 0.887 437 S HN 0.552 nan 8.310 nan 0.000 0.447 438 E N 0.893 120.981 120.200 -0.187 0.000 2.204 438 E HA -0.085 4.280 4.350 0.026 0.000 0.195 438 E C 2.379 178.893 176.600 -0.144 0.000 0.990 438 E CA 0.858 57.150 56.400 -0.180 0.000 0.821 438 E CB -0.168 29.462 29.700 -0.117 0.000 0.750 438 E HN 0.583 nan 8.360 nan 0.000 0.477 439 R N 0.118 120.564 120.500 -0.089 0.000 2.148 439 R HA -0.048 4.307 4.340 0.026 0.000 0.223 439 R C 2.167 178.425 176.300 -0.070 0.000 1.088 439 R CA 0.555 56.633 56.100 -0.037 0.000 0.985 439 R CB 0.142 30.461 30.300 0.031 0.000 0.880 439 R HN 0.015 nan 8.270 nan 0.000 0.451 440 V N -0.016 119.811 119.914 -0.145 0.000 2.374 440 V HA -0.160 3.975 4.120 0.026 0.000 0.241 440 V C 2.429 178.340 176.094 -0.305 0.000 1.034 440 V CA 2.029 64.222 62.300 -0.178 0.000 1.037 440 V CB -0.202 31.516 31.823 -0.174 0.000 0.682 440 V HN 0.490 nan 8.190 nan 0.000 0.463 441 T N -0.451 113.795 114.554 -0.512 0.000 2.746 441 T HA -0.255 4.110 4.350 0.026 0.000 0.267 441 T C 1.926 176.455 174.700 -0.285 0.000 1.039 441 T CA 1.466 63.164 62.100 -0.669 0.000 1.142 441 T CB -0.453 67.807 68.868 -1.015 0.000 0.866 441 T HN 0.393 nan 8.240 nan 0.000 0.444 442 R N 0.296 120.658 120.500 -0.231 0.000 2.189 442 R HA 0.193 4.548 4.340 0.026 0.000 0.223 442 R C 2.582 178.799 176.300 -0.138 0.000 1.092 442 R CA 1.253 57.256 56.100 -0.162 0.000 0.989 442 R CB -0.448 29.767 30.300 -0.141 0.000 0.876 442 R HN 0.507 nan 8.270 nan 0.000 0.457 443 M N 0.360 119.882 119.600 -0.130 0.000 2.123 443 M HA -0.109 4.387 4.480 0.026 0.000 0.263 443 M C 1.815 178.031 176.300 -0.141 0.000 1.069 443 M CA 1.521 56.773 55.300 -0.080 0.000 1.133 443 M CB 0.183 32.775 32.600 -0.013 0.000 1.356 443 M HN -0.026 nan 8.290 nan 0.000 0.415 444 V N 1.109 120.833 119.914 -0.315 0.000 2.343 444 V HA -0.284 3.852 4.120 0.026 0.000 0.247 444 V C 2.250 178.239 176.094 -0.174 0.000 1.051 444 V CA 1.958 63.960 62.300 -0.496 0.000 1.036 444 V CB -0.891 30.620 31.823 -0.519 0.000 0.654 444 V HN 0.583 nan 8.190 nan 0.000 0.451 445 Q N -0.653 119.076 119.800 -0.118 0.000 2.170 445 Q HA -0.229 4.126 4.340 0.026 0.000 0.203 445 Q C 2.450 178.365 176.000 -0.141 0.000 0.976 445 Q CA 1.555 57.294 55.803 -0.106 0.000 0.858 445 Q CB -0.177 28.516 28.738 -0.075 0.000 0.907 445 Q HN 0.533 nan 8.270 nan 0.000 0.433 446 R N 0.267 120.678 120.500 -0.149 0.000 2.100 446 R HA -0.083 4.272 4.340 0.026 0.000 0.220 446 R C 0.545 176.773 176.300 -0.121 0.000 1.091 446 R CA 1.224 57.212 56.100 -0.186 0.000 0.986 446 R CB 0.434 30.628 30.300 -0.177 0.000 0.888 446 R HN 0.146 nan 8.270 nan 0.000 0.444 447 D N -0.039 120.352 120.400 -0.015 0.000 2.369 447 D HA -0.011 4.644 4.640 0.026 0.000 0.211 447 D C 1.323 177.729 176.300 0.177 0.000 1.077 447 D CA 0.162 54.204 54.000 0.070 0.000 0.842 447 D CB 0.200 40.994 40.800 -0.011 0.000 0.947 447 D HN 0.360 nan 8.370 nan 0.000 0.509 448 R N 0.633 121.250 120.500 0.196 0.000 2.293 448 R HA 0.005 4.361 4.340 0.026 0.000 0.219 448 R C 0.683 176.993 176.300 0.017 0.000 1.091 448 R CA 0.811 57.036 56.100 0.207 0.000 1.004 448 R CB -0.315 30.043 30.300 0.097 0.000 0.865 448 R HN -0.053 nan 8.270 nan 0.000 0.469 449 N N 0.286 118.929 118.700 -0.095 0.000 2.280 449 N HA 0.009 4.764 4.740 0.026 0.000 0.192 449 N C -0.519 174.888 175.510 -0.172 0.000 1.109 449 N CA 0.199 53.168 53.050 -0.136 0.000 0.855 449 N CB 0.142 38.530 38.487 -0.164 0.000 0.974 449 N HN 0.275 nan 8.380 nan 0.000 0.482 450 H N 1.461 120.473 119.070 -0.097 0.000 2.742 450 H HA 0.107 4.678 4.556 0.025 0.000 0.302 450 H C -1.186 173.995 175.328 -0.245 0.000 1.069 450 H CA -1.251 54.722 56.048 -0.124 0.000 1.446 450 H CB 1.566 31.289 29.762 -0.066 0.000 1.462 450 H HN 0.052 nan 8.280 nan 0.000 0.499 451 P HA -0.162 nan 4.420 nan 0.000 0.218 451 P C 1.456 178.285 177.300 -0.786 0.000 1.149 451 P CA 1.205 63.950 63.100 -0.592 0.000 0.817 451 P CB 0.267 31.384 31.700 -0.972 0.000 0.785 452 S N -0.758 114.587 115.700 -0.591 0.000 2.419 452 S HA -0.053 4.432 4.470 0.026 0.000 0.233 452 S C 1.119 175.686 174.600 -0.055 0.000 1.016 452 S CA 0.437 58.459 58.200 -0.296 0.000 0.974 452 S CB -1.523 61.662 63.200 -0.026 0.000 0.786 452 S HN -0.051 nan 8.310 nan 0.000 0.492 453 V N 3.686 123.535 119.914 -0.107 0.000 2.415 453 V HA 0.234 4.370 4.120 0.026 0.000 0.267 453 V C 1.114 177.063 176.094 -0.242 0.000 1.042 453 V CA -0.015 62.187 62.300 -0.163 0.000 1.000 453 V CB 0.324 31.950 31.823 -0.328 0.000 1.015 453 V HN 0.631 nan 8.190 nan 0.000 0.478 454 I N 2.663 123.152 120.570 -0.136 0.000 4.187 454 I HA 0.493 4.679 4.170 0.026 0.000 0.326 454 I C 0.413 176.421 176.117 -0.181 0.000 1.302 454 I CA 0.529 61.759 61.300 -0.117 0.000 1.196 454 I CB 0.499 38.508 38.000 0.015 0.000 1.095 454 I HN 0.309 nan 8.210 nan 0.000 0.411 455 I N 0.290 120.736 120.570 -0.207 0.000 2.619 455 I HA 0.359 4.544 4.170 0.026 0.000 0.292 455 I C -1.496 174.526 176.117 -0.158 0.000 1.100 455 I CA -0.407 60.808 61.300 -0.142 0.000 1.043 455 I CB 2.065 40.071 38.000 0.010 0.000 1.239 455 I HN 0.031 nan 8.210 nan 0.000 0.420 456 W N 4.041 125.386 121.300 0.075 0.000 2.438 456 W HA 0.597 5.270 4.660 0.022 0.000 0.324 456 W C 0.425 177.005 176.519 0.101 0.000 1.119 456 W CA -0.572 56.824 57.345 0.084 0.000 1.221 456 W CB 1.664 31.169 29.460 0.075 0.000 1.253 456 W HN 0.308 nan 8.180 nan 0.000 0.555 457 S N 2.753 118.682 115.700 0.383 0.000 2.500 457 S HA 0.387 4.872 4.470 0.026 0.000 0.301 457 S C 0.254 175.013 174.600 0.264 0.000 1.092 457 S CA -0.712 57.659 58.200 0.284 0.000 1.030 457 S CB 0.813 64.138 63.200 0.209 0.000 1.031 457 S HN 0.578 nan 8.310 nan 0.000 0.483 458 L N 4.178 125.542 121.223 0.235 0.000 2.610 458 L HA 0.325 4.680 4.340 0.026 0.000 0.232 458 L C 1.420 178.326 176.870 0.059 0.000 1.149 458 L CA 0.564 55.458 54.840 0.090 0.000 0.872 458 L CB -1.119 40.884 42.059 -0.093 0.000 0.992 458 L HN 1.007 nan 8.230 nan 0.000 0.447 459 G N 0.002 108.924 108.800 0.202 0.000 2.265 459 G HA2 -0.131 3.844 3.960 0.026 0.000 0.246 459 G HA3 -0.131 3.844 3.960 0.026 0.000 0.246 459 G C -1.569 173.520 174.900 0.315 0.000 1.299 459 G CA -0.462 44.770 45.100 0.219 0.000 1.117 459 G HN 0.200 nan 8.290 nan 0.000 0.485 460 N N -0.095 118.739 118.700 0.223 0.000 2.504 460 N HA 0.464 5.220 4.740 0.026 0.000 0.268 460 N C -0.476 175.000 175.510 -0.057 0.000 1.184 460 N CA 0.172 53.229 53.050 0.011 0.000 0.875 460 N CB 1.551 39.764 38.487 -0.456 0.000 1.630 460 N HN 0.934 nan 8.380 nan 0.000 0.486 461 E N 0.574 120.655 120.200 -0.198 0.000 2.183 461 E HA -0.171 4.194 4.350 0.026 0.000 0.196 461 E C -0.923 175.595 176.600 -0.136 0.000 1.364 461 E CA 0.875 57.067 56.400 -0.347 0.000 0.700 461 E CB -1.349 27.898 29.700 -0.755 0.000 1.106 461 E HN 0.447 nan 8.360 nan 0.000 0.347 462 S N -0.024 115.746 115.700 0.117 0.000 2.835 462 S HA 0.421 4.906 4.470 0.026 0.000 0.248 462 S C 0.624 175.405 174.600 0.302 0.000 1.070 462 S CA -0.257 58.063 58.200 0.200 0.000 1.090 462 S CB 1.366 64.732 63.200 0.277 0.000 0.978 462 S HN 0.823 nan 8.310 nan 0.000 0.510 463 G N 2.003 110.908 108.800 0.174 0.000 2.591 463 G HA2 -0.273 3.703 3.960 0.026 0.000 0.278 463 G HA3 -0.273 3.703 3.960 0.026 0.000 0.278 463 G C -0.464 174.670 174.900 0.389 0.000 1.293 463 G CA -0.007 45.203 45.100 0.184 0.000 0.930 463 G HN 0.699 nan 8.290 nan 0.000 0.562 464 H N 0.232 119.443 119.070 0.234 0.000 2.823 464 H HA 0.571 5.142 4.556 0.025 0.000 0.332 464 H C 0.273 175.777 175.328 0.294 0.000 0.980 464 H CA -0.179 56.064 56.048 0.324 0.000 1.286 464 H CB 0.796 30.664 29.762 0.178 0.000 1.541 464 H HN 1.040 nan 8.280 nan 0.000 0.521 465 G N 1.510 110.466 108.800 0.260 0.000 2.569 465 G HA2 0.449 4.424 3.960 0.026 0.000 0.300 465 G HA3 0.449 4.424 3.960 0.026 0.000 0.300 465 G C 0.593 175.409 174.900 -0.140 0.000 1.269 465 G CA -0.168 44.886 45.100 -0.077 0.000 0.959 465 G HN 0.692 nan 8.290 nan 0.000 0.478 466 A N 0.528 123.267 122.820 -0.135 0.000 2.032 466 A HA -0.127 4.208 4.320 0.026 0.000 0.221 466 A C 2.132 179.702 177.584 -0.024 0.000 1.165 466 A CA 2.001 53.997 52.037 -0.068 0.000 0.645 466 A CB -0.420 18.552 19.000 -0.047 0.000 0.807 466 A HN 0.541 nan 8.150 nan 0.000 0.453 467 N N -0.417 118.230 118.700 -0.087 0.000 2.223 467 N HA -0.131 4.624 4.740 0.026 0.000 0.185 467 N C 1.397 176.865 175.510 -0.070 0.000 1.016 467 N CA 1.664 54.652 53.050 -0.103 0.000 0.863 467 N CB -0.657 37.727 38.487 -0.172 0.000 0.983 467 N HN 0.797 nan 8.380 nan 0.000 0.429 468 H N 0.164 119.238 119.070 0.007 0.000 2.357 468 H HA -0.010 4.561 4.556 0.025 0.000 0.301 468 H C 1.170 176.581 175.328 0.139 0.000 1.082 468 H CA 1.113 57.173 56.048 0.020 0.000 1.342 468 H CB 0.212 30.009 29.762 0.059 0.000 1.389 468 H HN 0.176 nan 8.280 nan 0.000 0.511 469 D N 0.298 120.874 120.400 0.294 0.000 2.144 469 D HA -0.094 4.561 4.640 0.026 0.000 0.200 469 D C 2.239 178.693 176.300 0.256 0.000 0.978 469 D CA 1.092 55.254 54.000 0.269 0.000 0.833 469 D CB -0.247 40.671 40.800 0.198 0.000 0.961 469 D HN 0.421 nan 8.370 nan 0.000 0.470 470 A N 0.557 123.481 122.820 0.173 0.000 1.930 470 A HA -0.060 4.275 4.320 0.026 0.000 0.217 470 A C 2.351 180.053 177.584 0.197 0.000 1.175 470 A CA 0.682 52.815 52.037 0.161 0.000 0.627 470 A CB -0.576 18.476 19.000 0.088 0.000 0.815 470 A HN 0.181 nan 8.150 nan 0.000 0.443 471 L N -2.082 119.245 121.223 0.173 0.000 2.156 471 L HA -0.118 4.238 4.340 0.026 0.000 0.208 471 L C 2.499 179.517 176.870 0.246 0.000 1.095 471 L CA 1.302 56.244 54.840 0.170 0.000 0.770 471 L CB -0.642 41.449 42.059 0.055 0.000 0.914 471 L HN 0.593 nan 8.230 nan 0.000 0.439 472 Y N 1.288 121.676 120.300 0.148 0.000 2.128 472 Y HA -0.342 4.220 4.550 0.020 0.000 0.284 472 Y C 2.818 178.800 175.900 0.136 0.000 1.154 472 Y CA 1.833 60.019 58.100 0.143 0.000 1.149 472 Y CB -0.135 38.411 38.460 0.142 0.000 0.976 472 Y HN -0.033 nan 8.280 nan 0.000 0.505 473 R N -0.201 120.428 120.500 0.215 0.000 2.092 473 R HA -0.194 4.161 4.340 0.026 0.000 0.231 473 R C 2.050 178.361 176.300 0.018 0.000 1.119 473 R CA 1.884 58.029 56.100 0.074 0.000 0.970 473 R CB -1.395 29.023 30.300 0.196 0.000 0.864 473 R HN 0.657 nan 8.270 nan 0.000 0.440 474 W N 0.406 121.670 121.300 -0.060 0.000 2.335 474 W HA -0.132 4.543 4.660 0.026 0.000 0.311 474 W C 1.564 177.997 176.519 -0.145 0.000 1.213 474 W CA 1.851 59.145 57.345 -0.085 0.000 1.274 474 W CB -0.216 29.197 29.460 -0.079 0.000 1.148 474 W HN 0.077 nan 8.180 nan 0.000 0.498 475 I N 0.844 121.416 120.570 0.003 0.000 2.179 475 I HA -0.343 3.842 4.170 0.026 0.000 0.242 475 I C 2.448 178.360 176.117 -0.342 0.000 1.088 475 I CA 1.329 62.471 61.300 -0.263 0.000 1.357 475 I CB -0.710 37.204 38.000 -0.144 0.000 1.051 475 I HN -0.139 nan 8.210 nan 0.000 0.409 476 K N 0.383 120.592 120.400 -0.319 0.000 2.152 476 K HA -0.174 4.161 4.320 0.026 0.000 0.206 476 K C 2.276 178.738 176.600 -0.229 0.000 1.048 476 K CA 1.667 57.791 56.287 -0.273 0.000 0.933 476 K CB -0.545 31.757 32.500 -0.330 0.000 0.721 476 K HN 0.321 nan 8.250 nan 0.000 0.447 477 S N 0.821 116.350 115.700 -0.286 0.000 2.406 477 S HA -0.077 4.409 4.470 0.026 0.000 0.224 477 S C 2.059 176.452 174.600 -0.345 0.000 1.030 477 S CA 1.045 59.086 58.200 -0.266 0.000 0.958 477 S CB -0.133 62.925 63.200 -0.237 0.000 0.811 477 S HN 0.136 nan 8.310 nan 0.000 0.489 478 V N -0.599 118.969 119.914 -0.578 0.000 2.649 478 V HA 0.256 4.391 4.120 0.026 0.000 0.248 478 V C 0.497 176.368 176.094 -0.372 0.000 1.054 478 V CA 1.511 63.460 62.300 -0.586 0.000 1.073 478 V CB -0.574 30.642 31.823 -1.011 0.000 0.699 478 V HN 0.471 nan 8.190 nan 0.000 0.463 479 D N 0.737 120.956 120.400 -0.300 0.000 2.378 479 D HA 0.402 5.058 4.640 0.026 0.000 0.265 479 D C -2.200 174.085 176.300 -0.025 0.000 1.229 479 D CA -2.086 51.851 54.000 -0.106 0.000 0.914 479 D CB 1.615 42.444 40.800 0.048 0.000 1.140 479 D HN 0.199 nan 8.370 nan 0.000 0.516 480 P HA -0.020 nan 4.420 nan 0.000 0.242 480 P C 1.051 178.368 177.300 0.029 0.000 1.197 480 P CA 0.426 63.518 63.100 -0.013 0.000 0.765 480 P CB 0.096 31.785 31.700 -0.020 0.000 0.936 481 S N -1.483 114.244 115.700 0.045 0.000 2.561 481 S HA 0.085 4.570 4.470 0.026 0.000 0.225 481 S C 0.856 175.481 174.600 0.040 0.000 0.977 481 S CA -0.079 58.152 58.200 0.052 0.000 0.926 481 S CB -0.320 62.907 63.200 0.045 0.000 0.769 481 S HN 0.066 nan 8.310 nan 0.000 0.533 482 R N 1.034 121.566 120.500 0.053 0.000 2.621 482 R HA 0.540 4.895 4.340 0.026 0.000 0.284 482 R C -3.229 173.112 176.300 0.069 0.000 0.998 482 R CA -2.164 53.936 56.100 -0.001 0.000 0.895 482 R CB 1.571 31.768 30.300 -0.171 0.000 1.195 482 R HN 0.131 nan 8.270 nan 0.000 0.450 483 P HA 0.100 nan 4.420 nan 0.000 0.272 483 P C -0.828 176.569 177.300 0.161 0.000 1.240 483 P CA -0.415 62.743 63.100 0.096 0.000 0.791 483 P CB 0.688 32.433 31.700 0.075 0.000 0.978 484 V N 2.093 122.125 119.914 0.196 0.000 2.459 484 V HA 0.391 4.526 4.120 0.026 0.000 0.295 484 V C 0.242 176.510 176.094 0.289 0.000 1.029 484 V CA -0.250 62.213 62.300 0.271 0.000 0.874 484 V CB 1.053 32.994 31.823 0.197 0.000 0.985 484 V HN 0.600 nan 8.190 nan 0.000 0.438 485 Q N 3.800 123.755 119.800 0.258 0.000 2.458 485 Q HA 0.814 5.169 4.340 0.026 0.000 0.282 485 Q C -1.791 174.360 176.000 0.251 0.000 1.106 485 Q CA -0.951 54.970 55.803 0.197 0.000 0.814 485 Q CB 2.956 31.761 28.738 0.111 0.000 1.425 485 Q HN 0.623 nan 8.270 nan 0.000 0.437 486 Y N 0.078 120.379 120.300 0.002 0.000 2.294 486 Y HA 0.126 4.690 4.550 0.023 0.000 0.316 486 Y C -0.642 175.185 175.900 -0.122 0.000 1.265 486 Y CA -0.747 57.316 58.100 -0.062 0.000 1.149 486 Y CB 1.870 40.272 38.460 -0.097 0.000 1.293 486 Y HN 0.963 nan 8.280 nan 0.000 0.416 487 E N 3.444 123.126 120.200 -0.862 0.000 2.318 487 E HA 0.132 4.498 4.350 0.026 0.000 0.193 487 E C 0.711 176.859 176.600 -0.752 0.000 0.998 487 E CA 0.758 56.774 56.400 -0.640 0.000 0.859 487 E CB 0.266 29.733 29.700 -0.389 0.000 0.812 487 E HN 0.887 nan 8.360 nan 0.000 0.492 488 G N -0.154 107.800 108.800 -1.410 0.000 2.562 488 G HA2 0.219 4.195 3.960 0.026 0.000 0.233 488 G HA3 0.219 4.195 3.960 0.026 0.000 0.233 488 G C 0.824 175.556 174.900 -0.280 0.000 1.266 488 G CA 0.315 44.996 45.100 -0.697 0.000 0.852 488 G HN 0.355 nan 8.290 nan 0.000 0.581 489 G N -0.656 108.106 108.800 -0.065 0.000 2.143 489 G HA2 0.227 4.202 3.960 0.026 0.000 0.248 489 G HA3 0.227 4.202 3.960 0.026 0.000 0.248 489 G C 1.282 176.195 174.900 0.022 0.000 0.991 489 G CA 1.000 46.131 45.100 0.051 0.000 0.689 489 G HN 2.650 nan 8.290 nan 0.000 0.522 490 G N -1.422 107.376 108.800 -0.003 0.000 2.175 490 G HA2 0.442 4.418 3.960 0.026 0.000 0.182 490 G HA3 0.442 4.418 3.960 0.026 0.000 0.182 490 G C 1.063 176.075 174.900 0.187 0.000 1.003 490 G CA 1.205 46.369 45.100 0.106 0.000 0.666 490 G HN 2.342 nan 8.290 nan 0.000 0.506 491 A N -0.313 122.493 122.820 -0.024 0.000 3.413 491 A HA -0.117 4.218 4.320 0.026 0.000 0.268 491 A C 1.104 178.607 177.584 -0.135 0.000 1.128 491 A CA 2.635 54.592 52.037 -0.134 0.000 1.062 491 A CB -1.723 17.178 19.000 -0.165 0.000 1.121 491 A HN 2.107 nan 8.150 nan 0.000 0.895 492 D N -1.102 119.303 120.400 0.010 0.000 2.712 492 D HA 0.303 4.958 4.640 0.026 0.000 0.300 492 D C 0.406 176.705 176.300 -0.002 0.000 1.521 492 D CA 0.772 54.788 54.000 0.026 0.000 0.790 492 D CB -1.191 39.770 40.800 0.269 0.000 1.155 492 D HN 0.793 nan 8.370 nan 0.000 0.456 493 T N -2.346 112.138 114.554 -0.116 0.000 2.689 493 T HA 0.195 4.560 4.350 0.026 0.000 0.308 493 T C 1.588 176.163 174.700 -0.208 0.000 1.021 493 T CA 0.456 62.429 62.100 -0.212 0.000 0.973 493 T CB 0.691 69.182 68.868 -0.629 0.000 1.113 493 T HN 0.086 nan 8.240 nan 0.000 0.522 494 T N -2.555 111.881 114.554 -0.198 0.000 3.163 494 T HA 0.246 4.611 4.350 0.026 0.000 0.260 494 T C 1.473 175.915 174.700 -0.429 0.000 1.156 494 T CA 0.218 62.200 62.100 -0.196 0.000 1.072 494 T CB -0.440 68.396 68.868 -0.052 0.000 0.937 494 T HN 0.825 nan 8.240 nan 0.000 0.528 495 A N 0.514 123.087 122.820 -0.410 0.000 2.460 495 A HA 0.525 4.861 4.320 0.026 0.000 0.258 495 A C 0.769 178.196 177.584 -0.263 0.000 1.300 495 A CA -0.343 51.428 52.037 -0.443 0.000 0.913 495 A CB 0.063 19.044 19.000 -0.033 0.000 1.031 495 A HN 0.412 nan 8.150 nan 0.000 0.512 496 T N -1.500 112.900 114.554 -0.256 0.000 2.952 496 T HA 0.371 4.736 4.350 0.026 0.000 0.305 496 T C -0.598 174.126 174.700 0.040 0.000 1.064 496 T CA -0.434 61.666 62.100 0.000 0.000 1.008 496 T CB 1.284 70.132 68.868 -0.034 0.000 1.078 496 T HN 0.080 nan 8.240 nan 0.000 0.459 497 D N 2.661 123.164 120.400 0.172 0.000 2.333 497 D HA 0.261 4.917 4.640 0.026 0.000 0.208 497 D C 0.405 176.737 176.300 0.053 0.000 0.984 497 D CA 0.761 54.846 54.000 0.140 0.000 0.873 497 D CB 0.396 41.302 40.800 0.176 0.000 0.935 497 D HN 0.540 nan 8.370 nan 0.000 0.521 498 I N 0.999 121.582 120.570 0.021 0.000 2.545 498 I HA 0.260 4.445 4.170 0.026 0.000 0.292 498 I C -0.187 175.864 176.117 -0.111 0.000 1.040 498 I CA -0.916 60.362 61.300 -0.037 0.000 1.068 498 I CB 2.789 40.780 38.000 -0.015 0.000 1.251 498 I HN -0.355 nan 8.210 nan 0.000 0.424 499 I N 5.670 126.127 120.570 -0.188 0.000 2.505 499 I HA 0.049 4.234 4.170 0.026 0.000 0.287 499 I C 0.170 176.070 176.117 -0.362 0.000 1.104 499 I CA 0.006 61.096 61.300 -0.350 0.000 1.387 499 I CB 0.161 37.843 38.000 -0.530 0.000 1.404 499 I HN 0.673 nan 8.210 nan 0.000 0.528 500 C N 5.723 124.828 119.300 -0.326 0.000 3.414 500 C HA 0.471 4.946 4.460 0.026 0.000 0.208 500 C C -2.182 172.664 174.990 -0.241 0.000 1.422 500 C CA -2.373 56.504 59.018 -0.234 0.000 1.437 500 C CB -0.884 26.779 27.740 -0.127 0.000 1.850 500 C HN 0.412 nan 8.230 nan 0.000 0.481 501 P HA 0.275 nan 4.420 nan 0.000 0.271 501 P C -0.406 176.836 177.300 -0.098 0.000 1.233 501 P CA 0.411 63.393 63.100 -0.196 0.000 0.789 501 P CB 0.685 32.270 31.700 -0.191 0.000 0.951 502 M N 0.289 119.859 119.600 -0.050 0.000 2.181 502 M HA 0.453 4.948 4.480 0.026 0.000 0.323 502 M C -0.797 175.459 176.300 -0.073 0.000 1.004 502 M CA -0.666 54.505 55.300 -0.216 0.000 0.941 502 M CB 1.207 33.674 32.600 -0.222 0.000 1.579 502 M HN 0.324 nan 8.290 nan 0.000 0.427 503 Y N -0.240 120.223 120.300 0.271 0.000 4.490 503 Y HA -0.221 4.345 4.550 0.027 0.000 0.233 503 Y C 0.500 176.562 175.900 0.270 0.000 1.101 503 Y CA 0.432 58.689 58.100 0.262 0.000 2.010 503 Y CB -2.322 36.245 38.460 0.177 0.000 1.622 503 Y HN 0.981 nan 8.280 nan 0.000 0.675 504 A N 1.170 124.194 122.820 0.339 0.000 2.440 504 A HA 0.556 4.892 4.320 0.026 0.000 0.251 504 A C 0.770 178.565 177.584 0.352 0.000 1.089 504 A CA -0.414 51.834 52.037 0.352 0.000 0.779 504 A CB 0.384 19.632 19.000 0.413 0.000 1.022 504 A HN 0.425 nan 8.150 nan 0.000 0.492 505 R N 1.351 121.989 120.500 0.230 0.000 2.580 505 R HA 0.319 4.674 4.340 0.026 0.000 0.267 505 R C 1.113 177.373 176.300 -0.066 0.000 1.125 505 R CA -0.660 55.508 56.100 0.112 0.000 1.188 505 R CB 0.473 30.809 30.300 0.060 0.000 1.155 505 R HN 0.494 nan 8.270 nan 0.000 0.586 506 V N 0.632 120.348 119.914 -0.331 0.000 2.270 506 V HA -0.208 3.927 4.120 0.026 0.000 0.245 506 V C 0.981 176.952 176.094 -0.205 0.000 1.043 506 V CA 1.901 63.963 62.300 -0.396 0.000 1.014 506 V CB -0.263 31.210 31.823 -0.584 0.000 0.645 506 V HN 0.752 nan 8.190 nan 0.000 0.447 507 D N -1.501 118.813 120.400 -0.144 0.000 2.473 507 D HA 0.095 4.751 4.640 0.026 0.000 0.230 507 D C 0.900 177.178 176.300 -0.036 0.000 1.097 507 D CA 0.028 53.979 54.000 -0.082 0.000 0.861 507 D CB 0.716 41.473 40.800 -0.072 0.000 1.114 507 D HN 0.495 nan 8.370 nan 0.000 0.500 508 E N 2.119 122.302 120.200 -0.028 0.000 2.167 508 E HA 0.097 4.462 4.350 0.026 0.000 0.284 508 E C -0.779 175.816 176.600 -0.008 0.000 1.016 508 E CA -0.576 55.816 56.400 -0.013 0.000 0.817 508 E CB 0.889 30.583 29.700 -0.011 0.000 1.080 508 E HN -0.176 nan 8.360 nan 0.000 0.397 509 D N 3.864 124.262 120.400 -0.003 0.000 2.341 509 D HA 0.098 4.753 4.640 0.026 0.000 0.245 509 D C -0.516 175.676 176.300 -0.179 0.000 1.106 509 D CA 0.258 54.253 54.000 -0.009 0.000 0.905 509 D CB 1.142 42.018 40.800 0.127 0.000 1.202 509 D HN 0.453 nan 8.370 nan 0.000 0.426 510 Q N 1.426 120.989 119.800 -0.394 0.000 2.771 510 Q HA 0.235 4.591 4.340 0.026 0.000 0.247 510 Q C -2.224 173.124 176.000 -1.088 0.000 0.986 510 Q CA -1.488 53.868 55.803 -0.745 0.000 0.713 510 Q CB 2.324 30.578 28.738 -0.806 0.000 1.241 510 Q HN 0.180 nan 8.270 nan 0.000 0.488 511 P HA -0.005 nan 4.420 nan 0.000 0.225 511 P C -0.677 176.325 177.300 -0.497 0.000 1.768 511 P CA -0.061 62.622 63.100 -0.695 0.000 0.943 511 P CB -0.576 30.935 31.700 -0.316 0.000 1.936 512 F N 2.394 122.179 119.950 -0.274 0.000 2.553 512 F HA 0.149 4.691 4.527 0.025 0.000 0.356 512 F C -1.044 174.655 175.800 -0.168 0.000 1.142 512 F CA -2.364 55.531 58.000 -0.174 0.000 1.322 512 F CB -0.509 38.403 39.000 -0.145 0.000 1.126 512 F HN 0.079 nan 8.300 nan 0.000 0.599 513 P HA 0.078 nan 4.420 nan 0.000 0.268 513 P C 0.321 177.641 177.300 0.034 0.000 1.205 513 P CA 0.837 63.960 63.100 0.038 0.000 0.771 513 P CB 1.162 32.883 31.700 0.034 0.000 0.858 514 A N 2.824 125.657 122.820 0.021 0.000 2.617 514 A HA -0.256 4.080 4.320 0.026 0.000 0.236 514 A C 0.775 178.374 177.584 0.025 0.000 0.514 514 A CA 2.109 54.163 52.037 0.029 0.000 1.126 514 A CB -2.737 16.280 19.000 0.029 0.000 1.393 514 A HN 0.716 nan 8.150 nan 0.000 0.693 515 V N -2.934 116.989 119.914 0.016 0.000 2.454 515 V HA 0.553 4.689 4.120 0.026 0.000 0.255 515 V C -2.232 173.858 176.094 -0.007 0.000 1.009 515 V CA -1.300 61.010 62.300 0.017 0.000 1.149 515 V CB 0.490 32.329 31.823 0.027 0.000 1.418 515 V HN 0.485 nan 8.190 nan 0.000 0.567 516 P HA 0.246 nan 4.420 nan 0.000 0.270 516 P C -0.608 176.272 177.300 -0.699 0.000 1.223 516 P CA 0.130 62.839 63.100 -0.652 0.000 0.785 516 P CB 0.980 31.781 31.700 -1.499 0.000 0.923 517 K N 1.892 121.899 120.400 -0.656 0.000 2.478 517 K HA 0.216 4.551 4.320 0.026 0.000 0.236 517 K C -0.472 175.821 176.600 -0.511 0.000 1.021 517 K CA -0.270 55.831 56.287 -0.310 0.000 1.010 517 K CB 0.398 32.985 32.500 0.146 0.000 1.331 517 K HN 0.465 nan 8.250 nan 0.000 0.470 518 W N 1.188 122.142 121.300 -0.578 0.000 2.129 518 W HA 0.084 4.760 4.660 0.026 0.000 0.349 518 W C 1.314 177.820 176.519 -0.023 0.000 1.279 518 W CA -0.534 56.585 57.345 -0.377 0.000 1.306 518 W CB 0.452 29.522 29.460 -0.651 0.000 1.140 518 W HN 0.350 nan 8.180 nan 0.000 0.613 519 S N 2.629 118.475 115.700 0.243 0.000 2.558 519 S HA -0.094 4.391 4.470 0.026 0.000 0.293 519 S C 1.172 175.919 174.600 0.245 0.000 1.292 519 S CA -0.091 58.201 58.200 0.153 0.000 1.063 519 S CB 0.109 63.345 63.200 0.060 0.000 0.831 519 S HN 0.510 nan 8.310 nan 0.000 0.499 520 I N 2.277 122.959 120.570 0.187 0.000 2.361 520 I HA -0.141 4.045 4.170 0.026 0.000 0.251 520 I C 2.052 178.188 176.117 0.032 0.000 1.133 520 I CA 1.256 62.664 61.300 0.180 0.000 1.413 520 I CB -0.398 37.650 38.000 0.081 0.000 1.073 520 I HN 0.592 nan 8.210 nan 0.000 0.424 521 K N 1.573 121.890 120.400 -0.139 0.000 2.057 521 K HA -0.173 4.163 4.320 0.026 0.000 0.207 521 K C 2.304 178.881 176.600 -0.039 0.000 1.049 521 K CA 1.849 57.955 56.287 -0.302 0.000 0.931 521 K CB -0.194 32.053 32.500 -0.421 0.000 0.714 521 K HN 0.379 nan 8.250 nan 0.000 0.440 522 K N 0.014 120.421 120.400 0.012 0.000 2.103 522 K HA -0.162 4.173 4.320 0.026 0.000 0.204 522 K C 1.916 178.537 176.600 0.035 0.000 1.052 522 K CA 0.839 57.125 56.287 -0.001 0.000 0.945 522 K CB -0.081 32.390 32.500 -0.049 0.000 0.722 522 K HN 0.213 nan 8.250 nan 0.000 0.443 523 W N 2.080 123.362 121.300 -0.030 0.000 2.338 523 W HA -0.198 4.473 4.660 0.019 0.000 0.304 523 W C 1.582 178.083 176.519 -0.029 0.000 1.212 523 W CA 1.204 58.545 57.345 -0.007 0.000 1.264 523 W CB -0.576 28.958 29.460 0.123 0.000 1.142 523 W HN 0.109 nan 8.180 nan 0.000 0.512 524 L N 0.783 122.164 121.223 0.262 0.000 2.127 524 L HA -0.249 4.107 4.340 0.026 0.000 0.211 524 L C 2.245 179.184 176.870 0.115 0.000 1.089 524 L CA 1.987 56.919 54.840 0.153 0.000 0.757 524 L CB -0.981 41.151 42.059 0.121 0.000 0.899 524 L HN -0.015 nan 8.230 nan 0.000 0.434 525 S N -1.385 114.366 115.700 0.085 0.000 2.572 525 S HA 0.249 4.734 4.470 0.026 0.000 0.228 525 S C 0.602 175.192 174.600 -0.017 0.000 0.963 525 S CA -0.538 57.683 58.200 0.035 0.000 0.939 525 S CB -0.427 62.794 63.200 0.034 0.000 0.804 525 S HN 0.156 nan 8.310 nan 0.000 0.480 526 L N 1.867 123.067 121.223 -0.037 0.000 2.499 526 L HA 0.208 4.563 4.340 0.026 0.000 0.281 526 L C -2.222 174.615 176.870 -0.055 0.000 1.234 526 L CA -1.631 53.138 54.840 -0.118 0.000 0.839 526 L CB -0.445 41.512 42.059 -0.169 0.000 1.104 526 L HN 0.010 nan 8.230 nan 0.000 0.500 527 P HA -0.034 nan 4.420 nan 0.000 0.258 527 P C 0.756 178.048 177.300 -0.013 0.000 1.172 527 P CA 1.199 64.275 63.100 -0.040 0.000 0.762 527 P CB 0.509 32.179 31.700 -0.050 0.000 0.764 528 G N 1.964 110.763 108.800 -0.000 0.000 2.234 528 G HA2 -0.278 3.697 3.960 0.026 0.000 0.260 528 G HA3 -0.278 3.697 3.960 0.026 0.000 0.260 528 G C 0.322 175.239 174.900 0.028 0.000 0.987 528 G CA 0.148 45.256 45.100 0.014 0.000 0.625 528 G HN 0.612 nan 8.290 nan 0.000 0.532 529 E N 1.142 121.364 120.200 0.038 0.000 2.354 529 E HA 0.582 4.947 4.350 0.026 0.000 0.269 529 E C 1.323 177.950 176.600 0.046 0.000 1.036 529 E CA 0.746 57.182 56.400 0.060 0.000 0.876 529 E CB 0.778 30.540 29.700 0.104 0.000 1.009 529 E HN 0.590 nan 8.360 nan 0.000 0.416 530 T N 0.550 115.128 114.554 0.039 0.000 3.130 530 T HA 0.336 4.701 4.350 0.026 0.000 0.288 530 T C 0.534 175.246 174.700 0.020 0.000 0.936 530 T CA -0.496 61.621 62.100 0.029 0.000 0.897 530 T CB 0.048 68.931 68.868 0.025 0.000 1.178 530 T HN 0.255 nan 8.240 nan 0.000 0.543 531 R N 2.332 122.841 120.500 0.014 0.000 2.637 531 R HA 0.453 4.808 4.340 0.026 0.000 0.269 531 R C -2.469 173.814 176.300 -0.028 0.000 1.089 531 R CA -1.758 54.339 56.100 -0.006 0.000 1.177 531 R CB 0.119 30.410 30.300 -0.016 0.000 1.091 531 R HN 0.233 nan 8.270 nan 0.000 0.540 532 P HA 0.108 nan 4.420 nan 0.000 0.276 532 P C -1.109 176.125 177.300 -0.110 0.000 1.252 532 P CA -0.151 62.911 63.100 -0.064 0.000 0.802 532 P CB 0.730 32.393 31.700 -0.062 0.000 1.035 533 L N 2.123 123.261 121.223 -0.142 0.000 2.381 533 L HA 0.581 4.936 4.340 0.026 0.000 0.274 533 L C -1.049 175.684 176.870 -0.228 0.000 0.988 533 L CA -0.637 54.080 54.840 -0.205 0.000 0.824 533 L CB 0.809 42.740 42.059 -0.212 0.000 1.263 533 L HN 0.229 nan 8.230 nan 0.000 0.410 534 I N 5.536 125.977 120.570 -0.215 0.000 2.500 534 I HA 0.272 4.457 4.170 0.026 0.000 0.286 534 I C -0.807 175.221 176.117 -0.148 0.000 1.063 534 I CA -0.567 60.594 61.300 -0.232 0.000 1.062 534 I CB 2.026 39.947 38.000 -0.132 0.000 1.223 534 I HN 0.460 nan 8.210 nan 0.000 0.435 535 L N 5.569 126.675 121.223 -0.194 0.000 2.462 535 L HA 0.036 4.392 4.340 0.026 0.000 0.272 535 L C 1.482 178.437 176.870 0.140 0.000 1.166 535 L CA -0.121 54.673 54.840 -0.077 0.000 0.880 535 L CB 0.627 42.614 42.059 -0.121 0.000 1.142 535 L HN 0.871 nan 8.230 nan 0.000 0.473 536 C N 0.223 119.588 119.300 0.108 0.000 2.446 536 C HA 0.129 4.604 4.460 0.026 0.000 0.279 536 C C 0.613 175.768 174.990 0.275 0.000 1.366 536 C CA -0.146 58.987 59.018 0.192 0.000 1.763 536 C CB -1.052 26.710 27.740 0.037 0.000 1.929 536 C HN 0.825 nan 8.230 nan 0.000 0.509 537 E N -0.848 119.441 120.200 0.149 0.000 2.335 537 E HA 0.616 4.981 4.350 0.026 0.000 0.280 537 E C -1.389 175.165 176.600 -0.077 0.000 0.918 537 E CA -0.409 56.071 56.400 0.133 0.000 0.765 537 E CB 1.993 31.620 29.700 -0.121 0.000 1.218 537 E HN 0.678 nan 8.360 nan 0.000 0.425 538 Y N -1.215 119.066 120.300 -0.032 0.000 2.713 538 Y HA 0.608 5.175 4.550 0.028 0.000 0.335 538 Y C -0.847 175.221 175.900 0.280 0.000 1.222 538 Y CA -0.863 57.225 58.100 -0.021 0.000 1.061 538 Y CB 0.834 39.145 38.460 -0.248 0.000 1.314 538 Y HN 0.691 nan 8.280 nan 0.000 0.453 539 A N 2.062 124.950 122.820 0.113 0.000 2.183 539 A HA -0.261 4.074 4.320 0.026 0.000 0.278 539 A C -0.433 177.273 177.584 0.203 0.000 1.404 539 A CA 1.055 53.154 52.037 0.105 0.000 0.737 539 A CB -2.357 16.614 19.000 -0.049 0.000 1.172 539 A HN 1.120 nan 8.150 nan 0.000 0.338 540 H N 1.156 120.384 119.070 0.263 0.000 3.253 540 H HA 0.286 4.857 4.556 0.025 0.000 0.250 540 H C 1.131 176.527 175.328 0.114 0.000 1.051 540 H CA 0.799 57.022 56.048 0.292 0.000 1.458 540 H CB 0.336 30.166 29.762 0.113 0.000 1.549 540 H HN 0.810 nan 8.280 nan 0.000 0.506 541 A N 6.552 129.312 122.820 -0.100 0.000 2.604 541 A HA 0.029 4.364 4.320 0.026 0.000 0.248 541 A C 1.020 178.440 177.584 -0.274 0.000 1.466 541 A CA -0.350 51.578 52.037 -0.181 0.000 1.222 541 A CB -0.759 18.133 19.000 -0.181 0.000 0.945 541 A HN 0.812 nan 8.150 nan 0.000 0.600 542 M N 1.414 120.855 119.600 -0.264 0.000 2.220 542 M HA 0.432 4.927 4.480 0.026 0.000 0.343 542 M C 0.974 177.053 176.300 -0.368 0.000 1.470 542 M CA 1.224 56.356 55.300 -0.280 0.000 1.161 542 M CB -0.394 32.127 32.600 -0.132 0.000 1.737 542 M HN 0.811 nan 8.290 nan 0.000 0.464 543 G N 4.405 112.906 108.800 -0.497 0.000 2.547 543 G HA2 -0.348 3.627 3.960 0.026 0.000 0.271 543 G HA3 -0.348 3.627 3.960 0.026 0.000 0.271 543 G C -0.187 174.090 174.900 -1.037 0.000 1.209 543 G CA 0.104 44.738 45.100 -0.777 0.000 0.959 543 G HN 0.858 nan 8.290 nan 0.000 0.563 544 N N 1.308 119.293 118.700 -1.192 0.000 2.434 544 N HA 0.464 5.220 4.740 0.026 0.000 0.273 544 N C 0.075 175.292 175.510 -0.489 0.000 1.210 544 N CA 1.148 53.679 53.050 -0.865 0.000 0.992 544 N CB 0.308 38.345 38.487 -0.749 0.000 1.355 544 N HN 0.822 nan 8.380 nan 0.000 0.495 545 S N 2.015 117.501 115.700 -0.357 0.000 2.998 545 S HA 0.619 5.104 4.470 0.026 0.000 0.323 545 S C -0.012 174.499 174.600 -0.149 0.000 1.141 545 S CA -0.357 57.707 58.200 -0.226 0.000 0.873 545 S CB 0.180 63.264 63.200 -0.194 0.000 1.315 545 S HN 0.340 nan 8.310 nan 0.000 0.637 546 L N 0.058 121.236 121.223 -0.074 0.000 4.793 546 L HA -0.060 4.295 4.340 0.026 0.000 0.404 546 L C 0.596 177.503 176.870 0.062 0.000 1.022 546 L CA 0.928 55.759 54.840 -0.015 0.000 1.242 546 L CB -1.840 40.130 42.059 -0.147 0.000 2.049 546 L HN 0.752 nan 8.230 nan 0.000 0.637 547 G N -0.595 108.207 108.800 0.003 0.000 2.313 547 G HA2 0.458 4.433 3.960 0.026 0.000 0.250 547 G HA3 0.458 4.433 3.960 0.026 0.000 0.250 547 G C 1.245 176.188 174.900 0.072 0.000 1.281 547 G CA 0.261 45.343 45.100 -0.030 0.000 0.917 547 G HN 1.441 nan 8.290 nan 0.000 0.501 548 G N 1.816 110.656 108.800 0.067 0.000 2.141 548 G HA2 -0.312 3.664 3.960 0.026 0.000 0.242 548 G HA3 -0.312 3.664 3.960 0.026 0.000 0.242 548 G C 0.939 176.026 174.900 0.311 0.000 0.982 548 G CA 0.712 45.906 45.100 0.156 0.000 0.662 548 G HN 0.790 nan 8.290 nan 0.000 0.527 549 F N 1.723 121.796 119.950 0.206 0.000 2.134 549 F HA 0.146 4.689 4.527 0.026 0.000 0.299 549 F C 2.657 178.668 175.800 0.352 0.000 1.097 549 F CA 2.437 60.633 58.000 0.326 0.000 1.264 549 F CB -0.471 38.660 39.000 0.217 0.000 1.001 549 F HN 0.345 nan 8.300 nan 0.000 0.479 550 A N -0.171 122.822 122.820 0.290 0.000 1.978 550 A HA -0.262 4.074 4.320 0.026 0.000 0.220 550 A C 2.305 179.909 177.584 0.033 0.000 1.170 550 A CA 1.819 53.950 52.037 0.157 0.000 0.636 550 A CB -0.866 18.225 19.000 0.151 0.000 0.810 550 A HN 0.462 nan 8.150 nan 0.000 0.448 551 K N -1.603 118.803 120.400 0.010 0.000 2.103 551 K HA -0.203 4.132 4.320 0.026 0.000 0.207 551 K C 1.708 178.088 176.600 -0.367 0.000 1.048 551 K CA 1.790 57.997 56.287 -0.133 0.000 0.930 551 K CB -0.322 32.110 32.500 -0.113 0.000 0.716 551 K HN 0.589 nan 8.250 nan 0.000 0.444 552 Y N -0.932 119.090 120.300 -0.463 0.000 2.163 552 Y HA -0.219 4.346 4.550 0.024 0.000 0.288 552 Y C 2.005 176.931 175.900 -1.622 0.000 1.136 552 Y CA 1.503 58.962 58.100 -1.067 0.000 1.147 552 Y CB -0.308 37.490 38.460 -1.103 0.000 0.987 552 Y HN 0.169 nan 8.280 nan 0.000 0.509 553 W N 0.129 120.987 121.300 -0.737 0.000 2.363 553 W HA -0.206 4.471 4.660 0.028 0.000 0.296 553 W C 2.627 178.952 176.519 -0.323 0.000 1.212 553 W CA 1.577 58.608 57.345 -0.523 0.000 1.260 553 W CB -0.560 28.700 29.460 -0.334 0.000 1.131 553 W HN 0.051 nan 8.180 nan 0.000 0.530 554 Q N 0.525 120.226 119.800 -0.165 0.000 2.124 554 Q HA -0.181 4.175 4.340 0.026 0.000 0.202 554 Q C 2.171 178.103 176.000 -0.115 0.000 0.977 554 Q CA 1.967 57.716 55.803 -0.090 0.000 0.850 554 Q CB -0.423 28.276 28.738 -0.064 0.000 0.901 554 Q HN 0.294 nan 8.270 nan 0.000 0.429 555 A N -0.156 122.497 122.820 -0.278 0.000 1.897 555 A HA -0.079 4.256 4.320 0.026 0.000 0.215 555 A C 1.960 179.511 177.584 -0.055 0.000 1.181 555 A CA 0.822 52.735 52.037 -0.206 0.000 0.620 555 A CB -0.979 17.769 19.000 -0.419 0.000 0.821 555 A HN 0.457 nan 8.150 nan 0.000 0.443 556 F N -0.216 119.555 119.950 -0.298 0.000 2.161 556 F HA -0.219 4.324 4.527 0.026 0.000 0.300 556 F C 2.756 178.455 175.800 -0.169 0.000 1.089 556 F CA 1.085 58.880 58.000 -0.341 0.000 1.282 556 F CB -0.186 38.389 39.000 -0.709 0.000 1.010 556 F HN 0.156 nan 8.300 nan 0.000 0.485 557 R N 0.131 120.680 120.500 0.082 0.000 2.092 557 R HA -0.180 4.176 4.340 0.026 0.000 0.231 557 R C 2.164 178.495 176.300 0.051 0.000 1.119 557 R CA 1.348 57.482 56.100 0.057 0.000 0.970 557 R CB -0.471 29.857 30.300 0.046 0.000 0.864 557 R HN 0.372 nan 8.270 nan 0.000 0.440 558 Q N -0.285 119.569 119.800 0.090 0.000 2.172 558 Q HA -0.080 4.275 4.340 0.026 0.000 0.200 558 Q C -0.435 175.576 176.000 0.018 0.000 0.964 558 Q CA 1.012 56.855 55.803 0.066 0.000 0.855 558 Q CB 0.336 29.145 28.738 0.119 0.000 0.918 558 Q HN 0.202 nan 8.270 nan 0.000 0.444 559 Y N 0.181 120.461 120.300 -0.033 0.000 2.369 559 Y HA 0.256 4.820 4.550 0.023 0.000 0.337 559 Y C -1.764 174.110 175.900 -0.044 0.000 0.961 559 Y CA -2.800 55.280 58.100 -0.033 0.000 1.186 559 Y CB 1.426 39.872 38.460 -0.025 0.000 1.139 559 Y HN 0.129 nan 8.280 nan 0.000 0.494 560 P HA -0.194 nan 4.420 nan 0.000 0.215 560 P C 1.107 178.410 177.300 0.004 0.000 1.157 560 P CA 1.850 64.951 63.100 0.001 0.000 0.874 560 P CB 0.304 31.988 31.700 -0.027 0.000 0.790 561 R N -1.142 119.380 120.500 0.037 0.000 2.339 561 R HA 0.086 4.441 4.340 0.026 0.000 0.199 561 R C 0.468 176.750 176.300 -0.030 0.000 1.018 561 R CA 0.122 56.225 56.100 0.005 0.000 1.036 561 R CB -0.548 29.767 30.300 0.024 0.000 0.899 561 R HN 0.246 nan 8.270 nan 0.000 0.473 562 L N 1.861 123.083 121.223 -0.002 0.000 2.302 562 L HA 0.125 4.481 4.340 0.026 0.000 0.285 562 L C 0.604 177.327 176.870 -0.244 0.000 1.090 562 L CA 0.127 54.914 54.840 -0.088 0.000 0.866 562 L CB 1.089 43.169 42.059 0.035 0.000 1.244 562 L HN 0.085 nan 8.230 nan 0.000 0.435 563 Q N 2.666 122.252 119.800 -0.356 0.000 2.212 563 Q HA 0.292 4.647 4.340 0.026 0.000 0.213 563 Q C 0.880 176.479 176.000 -0.668 0.000 0.874 563 Q CA 0.141 55.701 55.803 -0.404 0.000 0.965 563 Q CB 0.902 29.491 28.738 -0.248 0.000 1.074 563 Q HN 0.948 nan 8.270 nan 0.000 0.473 564 G N -0.389 107.637 108.800 -1.291 0.000 2.416 564 G HA2 0.103 4.078 3.960 0.026 0.000 0.203 564 G HA3 0.103 4.078 3.960 0.026 0.000 0.203 564 G C -0.336 173.738 174.900 -1.376 0.000 1.227 564 G CA -0.773 43.194 45.100 -1.889 0.000 1.041 564 G HN 0.536 nan 8.290 nan 0.000 0.546 565 G N -2.171 106.107 108.800 -0.870 0.000 2.441 565 G HA2 0.657 4.632 3.960 0.026 0.000 0.294 565 G HA3 0.657 4.632 3.960 0.026 0.000 0.294 565 G C -1.858 172.963 174.900 -0.132 0.000 1.393 565 G CA -0.370 44.446 45.100 -0.473 0.000 0.796 565 G HN 1.091 nan 8.290 nan 0.000 0.494 566 F N 0.806 121.013 119.950 0.427 0.000 2.403 566 F HA 0.508 5.049 4.527 0.024 0.000 0.355 566 F C 0.770 176.853 175.800 0.472 0.000 1.119 566 F CA -0.717 57.541 58.000 0.430 0.000 1.007 566 F CB 1.980 41.136 39.000 0.260 0.000 1.194 566 F HN 0.237 nan 8.300 nan 0.000 0.443 567 V N 3.250 123.462 119.914 0.497 0.000 2.999 567 V HA -0.102 4.033 4.120 0.026 0.000 0.307 567 V C -0.295 175.947 176.094 0.247 0.000 1.084 567 V CA -0.259 62.119 62.300 0.131 0.000 1.155 567 V CB 0.942 32.854 31.823 0.148 0.000 0.975 567 V HN 0.765 nan 8.190 nan 0.000 0.490 568 W N 6.126 127.496 121.300 0.116 0.000 2.336 568 W HA 0.473 5.148 4.660 0.025 0.000 0.315 568 W C -0.980 175.559 176.519 0.032 0.000 1.016 568 W CA -0.673 56.780 57.345 0.180 0.000 1.318 568 W CB 1.371 31.086 29.460 0.425 0.000 1.247 568 W HN 0.908 nan 8.180 nan 0.000 0.414 569 D N 2.917 123.052 120.400 -0.443 0.000 2.825 569 D HA 0.087 4.742 4.640 0.026 0.000 0.327 569 D C 0.586 176.695 176.300 -0.317 0.000 1.277 569 D CA -0.540 53.063 54.000 -0.663 0.000 0.950 569 D CB 0.219 40.060 40.800 -1.597 0.000 1.438 569 D HN 0.418 nan 8.370 nan 0.000 0.526 570 W N 0.544 121.567 121.300 -0.462 0.000 2.380 570 W HA 0.124 4.800 4.660 0.026 0.000 0.317 570 W C -0.111 176.245 176.519 -0.272 0.000 1.196 570 W CA 1.226 58.364 57.345 -0.345 0.000 1.307 570 W CB 0.317 29.589 29.460 -0.313 0.000 1.157 570 W HN 0.156 nan 8.180 nan 0.000 0.483 571 V N 2.635 122.334 119.914 -0.358 0.000 2.709 571 V HA 0.238 4.373 4.120 0.026 0.000 0.308 571 V C -0.906 175.016 176.094 -0.285 0.000 1.062 571 V CA -0.788 61.252 62.300 -0.432 0.000 0.901 571 V CB 1.483 33.133 31.823 -0.288 0.000 1.003 571 V HN -0.098 nan 8.190 nan 0.000 0.425 572 D N 3.964 124.212 120.400 -0.254 0.000 2.525 572 D HA 0.068 4.723 4.640 0.026 0.000 0.235 572 D C 0.364 176.498 176.300 -0.276 0.000 1.137 572 D CA 0.760 54.650 54.000 -0.184 0.000 0.868 572 D CB 0.779 41.546 40.800 -0.056 0.000 1.180 572 D HN 0.616 nan 8.370 nan 0.000 0.465 573 Q N 1.170 120.742 119.800 -0.380 0.000 3.122 573 Q HA 0.127 4.483 4.340 0.026 0.000 0.360 573 Q C -0.131 175.800 176.000 -0.115 0.000 1.300 573 Q CA -0.325 55.013 55.803 -0.775 0.000 0.982 573 Q CB 0.071 28.514 28.738 -0.491 0.000 1.534 573 Q HN 0.388 nan 8.270 nan 0.000 0.474 574 S N -0.369 115.387 115.700 0.093 0.000 2.646 574 S HA 0.657 5.142 4.470 0.026 0.000 0.276 574 S C -0.154 174.639 174.600 0.321 0.000 1.222 574 S CA -0.769 57.611 58.200 0.301 0.000 1.014 574 S CB 1.494 64.845 63.200 0.253 0.000 0.991 574 S HN 0.321 nan 8.310 nan 0.000 0.533 575 L N 1.463 122.795 121.223 0.181 0.000 2.354 575 L HA 0.508 4.864 4.340 0.026 0.000 0.269 575 L C -0.680 176.094 176.870 -0.159 0.000 1.005 575 L CA -1.255 53.567 54.840 -0.031 0.000 0.819 575 L CB 1.598 43.527 42.059 -0.217 0.000 1.311 575 L HN 0.559 nan 8.230 nan 0.000 0.423 576 I N 2.474 122.896 120.570 -0.247 0.000 2.496 576 I HA 0.218 4.403 4.170 0.026 0.000 0.285 576 I C 0.233 175.943 176.117 -0.678 0.000 1.080 576 I CA 0.079 61.096 61.300 -0.470 0.000 1.404 576 I CB 0.607 38.329 38.000 -0.463 0.000 1.403 576 I HN 0.532 nan 8.210 nan 0.000 0.539 577 K N 5.380 125.110 120.400 -1.117 0.000 2.340 577 K HA 0.541 4.876 4.320 0.026 0.000 0.244 577 K C -1.515 174.316 176.600 -1.282 0.000 0.973 577 K CA -0.709 54.834 56.287 -1.241 0.000 0.828 577 K CB 2.162 33.625 32.500 -1.729 0.000 1.226 577 K HN 0.242 nan 8.250 nan 0.000 0.437 578 Y N 1.216 121.287 120.300 -0.383 0.000 2.328 578 Y HA 0.101 4.667 4.550 0.026 0.000 0.336 578 Y C 0.174 176.159 175.900 0.142 0.000 0.960 578 Y CA -1.242 56.800 58.100 -0.097 0.000 1.134 578 Y CB 0.984 39.404 38.460 -0.066 0.000 1.166 578 Y HN 0.673 nan 8.280 nan 0.000 0.464 579 D N 0.541 121.185 120.400 0.407 0.000 2.369 579 D HA -0.045 4.610 4.640 0.026 0.000 0.241 579 D C 0.823 177.237 176.300 0.190 0.000 1.271 579 D CA -0.173 54.016 54.000 0.316 0.000 0.942 579 D CB 0.672 41.585 40.800 0.189 0.000 1.129 579 D HN 0.730 nan 8.370 nan 0.000 0.476 580 E N -0.042 120.230 120.200 0.121 0.000 2.136 580 E HA -0.302 4.063 4.350 0.026 0.000 0.202 580 E C 0.746 177.386 176.600 0.066 0.000 1.019 580 E CA 1.554 57.999 56.400 0.075 0.000 0.819 580 E CB -0.651 29.074 29.700 0.043 0.000 0.739 580 E HN 0.446 nan 8.360 nan 0.000 0.458 581 N N 0.621 119.365 118.700 0.073 0.000 2.413 581 N HA 0.073 4.829 4.740 0.026 0.000 0.207 581 N C 0.851 176.407 175.510 0.078 0.000 1.206 581 N CA 0.802 53.889 53.050 0.061 0.000 0.832 581 N CB 0.782 39.302 38.487 0.055 0.000 1.037 581 N HN 0.418 nan 8.380 nan 0.000 0.467 582 G N 0.996 109.860 108.800 0.106 0.000 2.168 582 G HA2 -0.289 3.686 3.960 0.026 0.000 0.257 582 G HA3 -0.289 3.686 3.960 0.026 0.000 0.257 582 G C -0.399 174.639 174.900 0.231 0.000 0.997 582 G CA -0.226 44.950 45.100 0.126 0.000 0.708 582 G HN 0.385 nan 8.290 nan 0.000 0.520 583 N N 1.891 120.723 118.700 0.220 0.000 2.422 583 N HA 0.439 5.195 4.740 0.026 0.000 0.264 583 N C -2.292 173.343 175.510 0.208 0.000 1.063 583 N CA -1.486 51.686 53.050 0.203 0.000 0.959 583 N CB 1.506 40.091 38.487 0.163 0.000 1.087 583 N HN 0.229 nan 8.380 nan 0.000 0.483 584 P HA 0.178 nan 4.420 nan 0.000 0.271 584 P C -0.358 176.886 177.300 -0.095 0.000 1.218 584 P CA -0.245 62.707 63.100 -0.246 0.000 0.780 584 P CB 0.645 32.205 31.700 -0.232 0.000 0.901 585 W N -0.460 120.620 121.300 -0.366 0.000 3.062 585 W HA 0.446 5.121 4.660 0.026 0.000 0.336 585 W C -1.394 174.969 176.519 -0.260 0.000 1.224 585 W CA -1.124 56.019 57.345 -0.337 0.000 1.159 585 W CB 0.298 29.339 29.460 -0.697 0.000 1.454 585 W HN 0.110 nan 8.180 nan 0.000 0.569 586 S N 1.425 117.228 115.700 0.173 0.000 2.474 586 S HA 0.572 5.057 4.470 0.026 0.000 0.276 586 S C 0.145 174.940 174.600 0.326 0.000 1.227 586 S CA -0.270 58.017 58.200 0.146 0.000 1.050 586 S CB 0.776 64.106 63.200 0.217 0.000 0.939 586 S HN 0.604 nan 8.310 nan 0.000 0.490 587 A N 3.070 125.909 122.820 0.033 0.000 2.320 587 A HA 0.867 5.203 4.320 0.026 0.000 0.334 587 A C -0.653 177.187 177.584 0.427 0.000 1.147 587 A CA -0.729 51.380 52.037 0.121 0.000 0.820 587 A CB 0.628 19.387 19.000 -0.403 0.000 1.218 587 A HN 0.842 nan 8.150 nan 0.000 0.482 588 Y N -0.508 120.108 120.300 0.528 0.000 2.944 588 Y HA 0.781 5.347 4.550 0.026 0.000 0.312 588 Y C 0.632 176.907 175.900 0.626 0.000 1.417 588 Y CA -1.370 57.042 58.100 0.520 0.000 1.105 588 Y CB -0.045 38.550 38.460 0.225 0.000 1.364 588 Y HN 0.886 nan 8.280 nan 0.000 0.540 589 G N -0.245 108.986 108.800 0.718 0.000 2.321 589 G HA2 0.378 4.353 3.960 0.026 0.000 0.237 589 G HA3 0.378 4.353 3.960 0.026 0.000 0.237 589 G C 0.929 176.151 174.900 0.536 0.000 1.282 589 G CA 0.352 45.798 45.100 0.577 0.000 0.886 589 G HN 1.971 nan 8.290 nan 0.000 0.528 590 G N 2.099 111.178 108.800 0.466 0.000 2.268 590 G HA2 -0.286 3.689 3.960 0.026 0.000 0.240 590 G HA3 -0.286 3.689 3.960 0.026 0.000 0.240 590 G C 0.933 176.010 174.900 0.296 0.000 1.010 590 G CA 0.674 45.977 45.100 0.339 0.000 0.618 590 G HN 0.638 nan 8.290 nan 0.000 0.516 591 D N -0.166 120.420 120.400 0.310 0.000 2.378 591 D HA 0.112 4.767 4.640 0.026 0.000 0.222 591 D C 1.244 177.410 176.300 -0.224 0.000 0.980 591 D CA 0.584 54.615 54.000 0.051 0.000 0.907 591 D CB -0.187 40.605 40.800 -0.012 0.000 0.899 591 D HN 0.491 nan 8.370 nan 0.000 0.527 592 F N -0.916 119.159 119.950 0.208 0.000 2.698 592 F HA 0.304 4.847 4.527 0.026 0.000 0.304 592 F C 1.732 177.614 175.800 0.137 0.000 1.108 592 F CA -0.194 57.886 58.000 0.134 0.000 1.263 592 F CB 0.930 40.005 39.000 0.125 0.000 1.013 592 F HN -0.045 nan 8.300 nan 0.000 0.532 593 G N 0.340 109.292 108.800 0.255 0.000 2.179 593 G HA2 -0.277 3.699 3.960 0.026 0.000 0.260 593 G HA3 -0.277 3.699 3.960 0.026 0.000 0.260 593 G C -0.214 174.819 174.900 0.222 0.000 0.977 593 G CA 0.130 45.348 45.100 0.197 0.000 0.641 593 G HN 0.395 nan 8.290 nan 0.000 0.533 594 D N 0.604 121.187 120.400 0.304 0.000 2.417 594 D HA 0.470 5.126 4.640 0.026 0.000 0.250 594 D C 0.070 176.489 176.300 0.198 0.000 1.166 594 D CA 0.975 55.140 54.000 0.274 0.000 0.881 594 D CB 1.521 42.541 40.800 0.366 0.000 1.164 594 D HN 0.229 nan 8.370 nan 0.000 0.467 595 T N 1.430 116.071 114.554 0.146 0.000 3.041 595 T HA 0.436 4.801 4.350 0.026 0.000 0.321 595 T C -2.680 172.056 174.700 0.060 0.000 1.184 595 T CA -1.217 60.940 62.100 0.095 0.000 1.050 595 T CB 1.185 70.107 68.868 0.091 0.000 1.159 595 T HN 0.197 nan 8.240 nan 0.000 0.469 596 P HA 0.405 nan 4.420 nan 0.000 0.272 596 P C -0.831 176.457 177.300 -0.021 0.000 1.230 596 P CA -0.476 62.621 63.100 -0.003 0.000 0.788 596 P CB 0.425 32.099 31.700 -0.044 0.000 0.949 597 N N -0.685 117.999 118.700 -0.027 0.000 2.647 597 N HA 0.192 4.947 4.740 0.026 0.000 0.266 597 N C -1.193 174.250 175.510 -0.113 0.000 1.373 597 N CA -0.635 52.374 53.050 -0.069 0.000 0.807 597 N CB 1.815 40.358 38.487 0.093 0.000 1.513 597 N HN 0.222 nan 8.380 nan 0.000 0.505 598 D N 0.126 120.382 120.400 -0.240 0.000 2.559 598 D HA 0.093 4.748 4.640 0.026 0.000 0.234 598 D C 0.732 177.221 176.300 0.315 0.000 1.226 598 D CA -0.174 53.776 54.000 -0.082 0.000 0.830 598 D CB 0.916 41.532 40.800 -0.307 0.000 1.028 598 D HN 0.648 nan 8.370 nan 0.000 0.492 599 R N 0.917 121.624 120.500 0.345 0.000 3.772 599 R HA -0.314 4.042 4.340 0.026 0.000 0.480 599 R C 1.081 177.467 176.300 0.143 0.000 0.241 599 R CA 1.411 57.728 56.100 0.363 0.000 1.508 599 R CB -1.628 28.791 30.300 0.198 0.000 0.956 599 R HN 0.147 nan 8.270 nan 0.000 0.583 600 Q N 1.560 121.117 119.800 -0.406 0.000 2.466 600 Q HA 0.013 4.369 4.340 0.026 0.000 0.210 600 Q C 1.469 177.204 176.000 -0.442 0.000 0.961 600 Q CA 1.220 56.589 55.803 -0.722 0.000 0.953 600 Q CB 0.040 28.110 28.738 -1.114 0.000 1.011 600 Q HN 0.603 nan 8.270 nan 0.000 0.516 601 F N 1.402 121.285 119.950 -0.112 0.000 2.641 601 F HA -0.098 4.444 4.527 0.026 0.000 0.298 601 F C 2.091 177.816 175.800 -0.126 0.000 1.146 601 F CA 0.882 58.882 58.000 -0.000 0.000 1.464 601 F CB -0.026 39.046 39.000 0.121 0.000 1.101 601 F HN 0.409 nan 8.300 nan 0.000 0.585 602 C N -1.344 117.653 119.300 -0.504 0.000 2.626 602 C HA 0.290 4.765 4.460 0.026 0.000 0.266 602 C C 0.882 175.667 174.990 -0.342 0.000 1.317 602 C CA -0.546 58.009 59.018 -0.772 0.000 1.716 602 C CB -1.667 25.046 27.740 -1.712 0.000 1.819 602 C HN 0.172 nan 8.230 nan 0.000 0.578 603 M N 2.581 122.035 119.600 -0.244 0.000 2.036 603 M HA 0.290 4.785 4.480 0.026 0.000 0.337 603 M C -0.464 175.736 176.300 -0.166 0.000 1.012 603 M CA 0.326 55.522 55.300 -0.174 0.000 0.962 603 M CB 0.260 32.784 32.600 -0.127 0.000 1.423 603 M HN 0.349 nan 8.290 nan 0.000 0.405 604 N N 0.979 119.591 118.700 -0.148 0.000 2.305 604 N HA 0.207 4.962 4.740 0.026 0.000 0.248 604 N C 0.295 175.654 175.510 -0.252 0.000 1.290 604 N CA -0.549 52.381 53.050 -0.199 0.000 0.873 604 N CB 1.266 39.725 38.487 -0.045 0.000 1.261 604 N HN 0.664 nan 8.380 nan 0.000 0.504 605 G N -0.047 108.616 108.800 -0.228 0.000 2.502 605 G HA2 0.366 4.342 3.960 0.026 0.000 0.305 605 G HA3 0.366 4.342 3.960 0.026 0.000 0.305 605 G C 0.712 175.485 174.900 -0.211 0.000 1.190 605 G CA -0.566 44.366 45.100 -0.280 0.000 0.933 605 G HN 0.081 nan 8.290 nan 0.000 0.503 606 L N -0.340 120.683 121.223 -0.334 0.000 2.313 606 L HA 0.102 4.457 4.340 0.026 0.000 0.214 606 L C 0.892 177.473 176.870 -0.481 0.000 1.119 606 L CA 0.444 55.101 54.840 -0.304 0.000 0.809 606 L CB -0.333 41.537 42.059 -0.315 0.000 0.933 606 L HN 0.377 nan 8.230 nan 0.000 0.449 607 V N -5.046 114.407 119.914 -0.768 0.000 3.001 607 V HA 0.464 4.599 4.120 0.026 0.000 0.314 607 V C -0.270 175.338 176.094 -0.810 0.000 1.099 607 V CA -1.251 60.549 62.300 -0.833 0.000 0.989 607 V CB 1.652 32.992 31.823 -0.804 0.000 1.040 607 V HN -0.144 nan 8.190 nan 0.000 0.434 608 F N 1.401 120.934 119.950 -0.695 0.000 2.440 608 F HA 0.558 5.100 4.527 0.026 0.000 0.323 608 F C 1.957 177.588 175.800 -0.282 0.000 1.192 608 F CA 0.496 58.233 58.000 -0.438 0.000 1.252 608 F CB 1.033 39.825 39.000 -0.347 0.000 1.214 608 F HN 0.777 nan 8.300 nan 0.000 0.578 609 A N 0.735 123.588 122.820 0.055 0.000 2.032 609 A HA -0.241 4.094 4.320 0.026 0.000 0.221 609 A C 1.630 179.175 177.584 -0.065 0.000 1.165 609 A CA 1.991 54.041 52.037 0.021 0.000 0.645 609 A CB -0.953 18.112 19.000 0.109 0.000 0.807 609 A HN 0.796 nan 8.150 nan 0.000 0.453 610 D N -3.165 117.203 120.400 -0.053 0.000 2.328 610 D HA 0.133 4.789 4.640 0.026 0.000 0.221 610 D C 0.692 176.950 176.300 -0.070 0.000 1.072 610 D CA 0.019 53.965 54.000 -0.090 0.000 0.850 610 D CB -0.084 40.664 40.800 -0.086 0.000 0.922 610 D HN 0.196 nan 8.370 nan 0.000 0.516 611 R N -1.686 118.766 120.500 -0.079 0.000 3.804 611 R HA -0.113 4.243 4.340 0.026 0.000 0.459 611 R C -0.398 175.859 176.300 -0.072 0.000 1.009 611 R CA 1.041 57.085 56.100 -0.093 0.000 1.210 611 R CB -3.150 27.143 30.300 -0.011 0.000 1.860 611 R HN 0.244 nan 8.270 nan 0.000 0.526 612 T N 2.151 116.689 114.554 -0.026 0.000 2.907 612 T HA 0.388 4.753 4.350 0.026 0.000 0.298 612 T C -2.317 172.385 174.700 0.003 0.000 1.017 612 T CA -0.883 61.223 62.100 0.010 0.000 1.118 612 T CB 1.142 70.018 68.868 0.013 0.000 0.948 612 T HN -0.115 nan 8.240 nan 0.000 0.531 613 P HA 0.259 nan 4.420 nan 0.000 0.275 613 P C -0.364 176.847 177.300 -0.148 0.000 1.228 613 P CA -0.298 62.717 63.100 -0.141 0.000 0.786 613 P CB 0.437 32.105 31.700 -0.055 0.000 0.927 614 H N 2.481 121.379 119.070 -0.285 0.000 2.508 614 H HA 0.146 4.717 4.556 0.025 0.000 0.358 614 H C -1.196 174.030 175.328 -0.170 0.000 1.212 614 H CA -1.576 54.268 56.048 -0.340 0.000 1.356 614 H CB 0.303 29.824 29.762 -0.402 0.000 1.525 614 H HN 0.357 nan 8.280 nan 0.000 0.578 615 P HA -0.180 nan 4.420 nan 0.000 0.216 615 P C 1.037 178.336 177.300 -0.001 0.000 1.150 615 P CA 1.626 64.723 63.100 -0.005 0.000 0.837 615 P CB 0.015 31.713 31.700 -0.004 0.000 0.786 616 A N -0.538 122.274 122.820 -0.014 0.000 2.024 616 A HA -0.194 4.141 4.320 0.026 0.000 0.220 616 A C 2.083 179.621 177.584 -0.077 0.000 1.164 616 A CA 1.284 53.279 52.037 -0.070 0.000 0.643 616 A CB -1.622 17.304 19.000 -0.124 0.000 0.806 616 A HN 0.158 nan 8.150 nan 0.000 0.451 617 L N -0.459 120.742 121.223 -0.037 0.000 2.079 617 L HA -0.142 4.213 4.340 0.026 0.000 0.210 617 L C 2.556 179.472 176.870 0.076 0.000 1.081 617 L CA 2.723 57.577 54.840 0.023 0.000 0.752 617 L CB -0.952 41.123 42.059 0.026 0.000 0.896 617 L HN 0.407 nan 8.230 nan 0.000 0.433 618 T N -1.830 112.772 114.554 0.081 0.000 2.867 618 T HA -0.195 4.170 4.350 0.026 0.000 0.268 618 T C 1.806 176.611 174.700 0.174 0.000 1.057 618 T CA 1.407 63.610 62.100 0.172 0.000 1.136 618 T CB -0.133 68.825 68.868 0.150 0.000 0.874 618 T HN 0.484 nan 8.240 nan 0.000 0.466 619 E N 0.731 120.974 120.200 0.071 0.000 2.072 619 E HA 0.065 4.430 4.350 0.026 0.000 0.191 619 E C 2.179 178.778 176.600 -0.002 0.000 0.985 619 E CA 1.356 57.796 56.400 0.067 0.000 0.801 619 E CB -0.611 29.101 29.700 0.020 0.000 0.750 619 E HN 0.554 nan 8.360 nan 0.000 0.452 620 A N 0.919 123.639 122.820 -0.167 0.000 1.898 620 A HA -0.190 4.145 4.320 0.026 0.000 0.216 620 A C 2.154 179.616 177.584 -0.203 0.000 1.181 620 A CA 1.769 53.653 52.037 -0.256 0.000 0.620 620 A CB -0.587 18.244 19.000 -0.281 0.000 0.819 620 A HN 0.247 nan 8.150 nan 0.000 0.442 621 K N -1.147 119.213 120.400 -0.066 0.000 2.032 621 K HA -0.296 4.040 4.320 0.026 0.000 0.209 621 K C 2.051 178.537 176.600 -0.190 0.000 1.048 621 K CA 2.050 58.305 56.287 -0.053 0.000 0.927 621 K CB -0.346 32.278 32.500 0.206 0.000 0.712 621 K HN 0.650 nan 8.250 nan 0.000 0.441 622 H N 0.433 119.309 119.070 -0.324 0.000 2.293 622 H HA -0.037 4.535 4.556 0.026 0.000 0.300 622 H C 1.937 176.988 175.328 -0.462 0.000 1.082 622 H CA 1.867 57.540 56.048 -0.625 0.000 1.308 622 H CB 0.052 29.457 29.762 -0.595 0.000 1.375 622 H HN 0.224 nan 8.280 nan 0.000 0.495 623 Q N 0.156 119.725 119.800 -0.386 0.000 2.291 623 Q HA -0.076 4.279 4.340 0.026 0.000 0.205 623 Q C 1.395 176.865 176.000 -0.883 0.000 0.970 623 Q CA 1.040 56.522 55.803 -0.534 0.000 0.876 623 Q CB 0.103 28.680 28.738 -0.267 0.000 0.935 623 Q HN 0.702 nan 8.270 nan 0.000 0.455 624 Q N 0.079 119.331 119.800 -0.913 0.000 2.280 624 Q HA 0.089 4.445 4.340 0.026 0.000 0.202 624 Q C -0.159 175.288 176.000 -0.922 0.000 0.903 624 Q CA -0.229 54.879 55.803 -1.159 0.000 0.948 624 Q CB 0.411 28.498 28.738 -1.085 0.000 1.058 624 Q HN 0.368 nan 8.270 nan 0.000 0.493 625 Q N -0.541 118.867 119.800 -0.653 0.000 2.414 625 Q HA -0.059 4.296 4.340 0.026 0.000 0.288 625 Q C -0.132 175.513 176.000 -0.592 0.000 1.086 625 Q CA 0.540 56.089 55.803 -0.423 0.000 0.943 625 Q CB 0.457 29.038 28.738 -0.262 0.000 1.282 625 Q HN 0.317 nan 8.270 nan 0.000 0.438 626 F N 0.331 120.066 119.950 -0.359 0.000 2.695 626 F HA 0.247 4.789 4.527 0.025 0.000 0.303 626 F C -0.245 174.999 175.800 -0.927 0.000 1.091 626 F CA -0.043 57.505 58.000 -0.752 0.000 1.300 626 F CB 0.651 38.930 39.000 -1.201 0.000 1.071 626 F HN 0.317 nan 8.300 nan 0.000 0.578 627 F N 0.443 120.317 119.950 -0.127 0.000 2.518 627 F HA 0.456 4.999 4.527 0.027 0.000 0.323 627 F C -0.105 175.375 175.800 -0.534 0.000 1.129 627 F CA -1.047 56.785 58.000 -0.280 0.000 0.920 627 F CB 1.303 40.155 39.000 -0.247 0.000 1.160 627 F HN -0.324 nan 8.300 nan 0.000 0.440 628 Q N 3.071 122.649 119.800 -0.369 0.000 2.257 628 Q HA 0.597 4.953 4.340 0.026 0.000 0.262 628 Q C -1.280 174.431 176.000 -0.481 0.000 0.997 628 Q CA -0.651 54.949 55.803 -0.339 0.000 0.873 628 Q CB 2.760 31.422 28.738 -0.127 0.000 1.312 628 Q HN 0.552 nan 8.270 nan 0.000 0.450 629 F N -0.002 120.071 119.950 0.204 0.000 2.576 629 F HA 0.597 5.140 4.527 0.026 0.000 0.313 629 F C 0.291 176.314 175.800 0.372 0.000 1.078 629 F CA -0.850 57.342 58.000 0.320 0.000 0.921 629 F CB 2.126 41.433 39.000 0.512 0.000 1.232 629 F HN 0.116 nan 8.300 nan 0.000 0.459 630 R N 1.575 122.386 120.500 0.518 0.000 2.725 630 R HA 0.681 5.036 4.340 0.026 0.000 0.277 630 R C -2.071 174.310 176.300 0.135 0.000 0.987 630 R CA -1.226 55.098 56.100 0.372 0.000 0.901 630 R CB 3.027 33.447 30.300 0.200 0.000 1.207 630 R HN 0.536 nan 8.270 nan 0.000 0.463 631 L N 0.969 122.163 121.223 -0.049 0.000 2.333 631 L HA 0.519 4.874 4.340 0.026 0.000 0.280 631 L C -1.004 175.744 176.870 -0.203 0.000 1.004 631 L CA 0.044 54.641 54.840 -0.406 0.000 0.820 631 L CB 2.015 43.434 42.059 -1.067 0.000 1.247 631 L HN 0.588 nan 8.230 nan 0.000 0.416 632 S N 3.987 119.577 115.700 -0.183 0.000 2.775 632 S HA 0.683 5.169 4.470 0.026 0.000 0.277 632 S C 0.308 174.830 174.600 -0.130 0.000 1.156 632 S CA 0.250 58.380 58.200 -0.116 0.000 1.081 632 S CB 0.304 63.465 63.200 -0.064 0.000 1.054 632 S HN 1.573 nan 8.310 nan 0.000 0.482 633 G N 4.932 113.656 108.800 -0.127 0.000 2.574 633 G HA2 -0.353 3.623 3.960 0.026 0.000 0.301 633 G HA3 -0.353 3.623 3.960 0.026 0.000 0.301 633 G C 0.236 175.037 174.900 -0.164 0.000 1.166 633 G CA 1.033 46.060 45.100 -0.121 0.000 0.971 633 G HN 1.269 nan 8.290 nan 0.000 0.542 634 Q N 0.397 120.103 119.800 -0.157 0.000 2.172 634 Q HA 0.491 4.846 4.340 0.026 0.000 0.217 634 Q C 0.386 176.257 176.000 -0.214 0.000 0.832 634 Q CA 0.753 56.437 55.803 -0.199 0.000 1.010 634 Q CB -0.235 28.386 28.738 -0.195 0.000 1.133 634 Q HN 0.541 nan 8.270 nan 0.000 0.489 635 T N 1.348 115.791 114.554 -0.185 0.000 2.749 635 T HA 0.593 4.958 4.350 0.026 0.000 0.287 635 T C -0.215 174.376 174.700 -0.181 0.000 0.970 635 T CA -0.427 61.578 62.100 -0.158 0.000 0.980 635 T CB 0.824 69.633 68.868 -0.100 0.000 0.924 635 T HN 0.228 nan 8.240 nan 0.000 0.456 636 I N 2.974 123.449 120.570 -0.159 0.000 2.321 636 I HA 0.278 4.463 4.170 0.026 0.000 0.291 636 I C 0.579 176.705 176.117 0.015 0.000 0.998 636 I CA -0.521 60.711 61.300 -0.114 0.000 1.227 636 I CB 1.128 39.071 38.000 -0.095 0.000 1.368 636 I HN 0.590 nan 8.210 nan 0.000 0.466 637 E N 7.099 127.343 120.200 0.073 0.000 2.109 637 E HA 0.405 4.770 4.350 0.026 0.000 0.278 637 E C -1.528 175.170 176.600 0.164 0.000 0.954 637 E CA -0.583 55.874 56.400 0.095 0.000 0.779 637 E CB 1.493 31.234 29.700 0.068 0.000 1.093 637 E HN 0.348 nan 8.360 nan 0.000 0.401 638 V N 4.229 124.223 119.914 0.134 0.000 2.398 638 V HA 0.321 4.457 4.120 0.026 0.000 0.286 638 V C 0.017 176.137 176.094 0.044 0.000 1.026 638 V CA -0.564 61.785 62.300 0.081 0.000 0.868 638 V CB 1.677 33.571 31.823 0.117 0.000 0.982 638 V HN 0.703 nan 8.190 nan 0.000 0.443 639 T N 3.236 117.779 114.554 -0.018 0.000 2.807 639 T HA 0.359 4.725 4.350 0.026 0.000 0.279 639 T C -0.045 174.668 174.700 0.021 0.000 0.993 639 T CA -0.278 61.824 62.100 0.004 0.000 0.970 639 T CB 1.594 70.445 68.868 -0.028 0.000 0.950 639 T HN 0.682 nan 8.240 nan 0.000 0.441 640 S N 1.593 117.315 115.700 0.037 0.000 2.537 640 S HA 0.232 4.717 4.470 0.026 0.000 0.275 640 S C 0.697 175.177 174.600 -0.201 0.000 1.272 640 S CA -0.543 57.619 58.200 -0.064 0.000 1.050 640 S CB 0.616 63.845 63.200 0.048 0.000 0.961 640 S HN 0.731 nan 8.310 nan 0.000 0.496 641 E N 2.689 122.657 120.200 -0.386 0.000 2.501 641 E HA 0.117 4.482 4.350 0.026 0.000 0.201 641 E C -0.798 175.623 176.600 -0.298 0.000 1.016 641 E CA -0.143 56.077 56.400 -0.301 0.000 0.920 641 E CB 0.320 29.833 29.700 -0.312 0.000 1.023 641 E HN 0.684 nan 8.360 nan 0.000 0.474 642 Y N 0.383 120.565 120.300 -0.197 0.000 2.480 642 Y HA -0.016 4.549 4.550 0.025 0.000 0.338 642 Y C 1.411 177.148 175.900 -0.271 0.000 1.220 642 Y CA 0.216 58.195 58.100 -0.202 0.000 1.430 642 Y CB 0.731 39.058 38.460 -0.221 0.000 1.311 642 Y HN -0.017 nan 8.280 nan 0.000 0.575 643 L N 1.023 122.076 121.223 -0.284 0.000 2.470 643 L HA 0.079 4.434 4.340 0.026 0.000 0.219 643 L C 0.681 177.141 176.870 -0.682 0.000 1.071 643 L CA 0.585 55.022 54.840 -0.671 0.000 0.850 643 L CB 0.059 41.314 42.059 -1.341 0.000 1.040 643 L HN 0.653 nan 8.230 nan 0.000 0.475 644 F N -0.503 119.466 119.950 0.031 0.000 2.699 644 F HA 0.215 4.756 4.527 0.024 0.000 0.295 644 F C 1.192 176.993 175.800 0.002 0.000 1.052 644 F CA -0.819 57.180 58.000 -0.003 0.000 1.239 644 F CB 0.380 39.357 39.000 -0.039 0.000 1.018 644 F HN -0.144 nan 8.300 nan 0.000 0.627 645 R N 0.140 120.713 120.500 0.121 0.000 2.643 645 R HA 0.421 4.777 4.340 0.026 0.000 0.272 645 R C -0.611 175.717 176.300 0.047 0.000 0.995 645 R CA -0.629 55.493 56.100 0.037 0.000 1.032 645 R CB 0.785 30.993 30.300 -0.153 0.000 1.126 645 R HN 0.097 nan 8.270 nan 0.000 0.505 646 H N 0.299 119.372 119.070 0.004 0.000 2.508 646 H HA 0.093 4.664 4.556 0.026 0.000 0.358 646 H C 0.087 175.450 175.328 0.058 0.000 1.212 646 H CA -0.076 56.004 56.048 0.053 0.000 1.356 646 H CB 1.659 31.452 29.762 0.051 0.000 1.525 646 H HN 0.751 nan 8.280 nan 0.000 0.578 647 S N 1.033 116.876 115.700 0.238 0.000 4.139 647 S HA -0.040 4.445 4.470 0.026 0.000 0.215 647 S C 0.309 175.011 174.600 0.170 0.000 1.390 647 S CA -0.732 57.617 58.200 0.248 0.000 0.885 647 S CB -0.700 62.676 63.200 0.294 0.000 1.560 647 S HN 0.561 nan 8.310 nan 0.000 0.449 648 D N 0.625 121.099 120.400 0.124 0.000 2.319 648 D HA 0.031 4.687 4.640 0.026 0.000 0.230 648 D C 0.304 176.643 176.300 0.065 0.000 1.094 648 D CA -0.142 53.910 54.000 0.086 0.000 0.856 648 D CB -0.313 40.523 40.800 0.060 0.000 0.915 648 D HN 0.502 nan 8.370 nan 0.000 0.517 649 N N -0.048 118.701 118.700 0.082 0.000 2.639 649 N HA 0.180 4.935 4.740 0.026 0.000 0.265 649 N C -1.649 173.927 175.510 0.110 0.000 1.689 649 N CA -0.217 52.879 53.050 0.076 0.000 0.813 649 N CB 0.327 38.848 38.487 0.056 0.000 1.353 649 N HN -0.039 nan 8.380 nan 0.000 0.510 650 E N -0.184 120.076 120.200 0.099 0.000 2.378 650 E HA 0.486 4.851 4.350 0.026 0.000 0.283 650 E C -1.748 174.892 176.600 0.067 0.000 0.979 650 E CA -0.759 55.697 56.400 0.093 0.000 0.795 650 E CB 1.894 31.630 29.700 0.061 0.000 1.221 650 E HN 0.248 nan 8.360 nan 0.000 0.428 651 L N 0.344 121.617 121.223 0.084 0.000 2.376 651 L HA 0.776 5.131 4.340 0.026 0.000 0.258 651 L C -1.862 175.083 176.870 0.125 0.000 1.013 651 L CA -0.952 53.941 54.840 0.088 0.000 0.822 651 L CB 1.302 43.410 42.059 0.080 0.000 1.388 651 L HN 0.539 nan 8.230 nan 0.000 0.413 652 L N 1.935 123.233 121.223 0.125 0.000 2.287 652 L HA 0.596 4.951 4.340 0.026 0.000 0.287 652 L C -0.980 176.007 176.870 0.194 0.000 1.022 652 L CA 0.136 55.089 54.840 0.188 0.000 0.814 652 L CB 0.803 42.981 42.059 0.199 0.000 1.217 652 L HN 0.741 nan 8.230 nan 0.000 0.420 653 H N 4.973 124.120 119.070 0.128 0.000 2.467 653 H HA 0.551 5.123 4.556 0.025 0.000 0.326 653 H C -1.150 174.260 175.328 0.137 0.000 1.094 653 H CA 0.006 56.086 56.048 0.054 0.000 1.253 653 H CB 0.873 30.631 29.762 -0.007 0.000 1.439 653 H HN 0.605 nan 8.280 nan 0.000 0.479 654 W N 3.846 125.219 121.300 0.122 0.000 2.936 654 W HA 0.658 5.333 4.660 0.025 0.000 0.338 654 W C -1.974 174.601 176.519 0.093 0.000 1.121 654 W CA -1.265 56.141 57.345 0.102 0.000 1.209 654 W CB 0.878 30.373 29.460 0.058 0.000 1.420 654 W HN 0.449 nan 8.180 nan 0.000 0.516 655 M N 2.672 122.474 119.600 0.337 0.000 2.433 655 M HA 0.489 4.984 4.480 0.026 0.000 0.290 655 M C -1.212 175.291 176.300 0.338 0.000 1.173 655 M CA -0.844 54.549 55.300 0.154 0.000 0.905 655 M CB 2.603 35.222 32.600 0.031 0.000 1.692 655 M HN 0.112 nan 8.290 nan 0.000 0.462 656 V N 1.690 121.784 119.914 0.301 0.000 2.555 656 V HA 0.989 5.125 4.120 0.026 0.000 0.302 656 V C -0.629 175.574 176.094 0.183 0.000 1.038 656 V CA -0.527 61.945 62.300 0.286 0.000 0.887 656 V CB 1.689 33.695 31.823 0.305 0.000 0.991 656 V HN 0.968 nan 8.190 nan 0.000 0.434 657 A N 4.177 127.115 122.820 0.196 0.000 2.549 657 A HA 0.863 5.198 4.320 0.026 0.000 0.297 657 A C -1.590 176.109 177.584 0.190 0.000 1.061 657 A CA -0.586 51.533 52.037 0.136 0.000 0.690 657 A CB 1.750 20.788 19.000 0.063 0.000 1.287 657 A HN 0.898 nan 8.150 nan 0.000 0.402 658 L N 1.355 122.660 121.223 0.137 0.000 2.265 658 L HA 0.581 4.937 4.340 0.026 0.000 0.289 658 L C -0.574 176.386 176.870 0.150 0.000 1.033 658 L CA 0.244 55.180 54.840 0.161 0.000 0.814 658 L CB 0.422 42.544 42.059 0.105 0.000 1.203 658 L HN 0.742 nan 8.230 nan 0.000 0.423 659 D N 4.881 125.437 120.400 0.260 0.000 2.720 659 D HA -0.201 4.454 4.640 0.026 0.000 0.229 659 D C 1.214 177.520 176.300 0.010 0.000 1.198 659 D CA 1.558 55.691 54.000 0.222 0.000 0.639 659 D CB -1.063 39.839 40.800 0.171 0.000 1.003 659 D HN 1.196 nan 8.370 nan 0.000 0.411 660 G N -0.753 108.007 108.800 -0.067 0.000 2.253 660 G HA2 -0.382 3.593 3.960 0.026 0.000 0.251 660 G HA3 -0.382 3.593 3.960 0.026 0.000 0.251 660 G C 0.283 175.090 174.900 -0.155 0.000 0.998 660 G CA 0.499 45.455 45.100 -0.241 0.000 0.621 660 G HN 0.507 nan 8.290 nan 0.000 0.524 661 K N 2.198 122.563 120.400 -0.059 0.000 2.262 661 K HA 0.481 4.817 4.320 0.026 0.000 0.282 661 K C -2.510 174.076 176.600 -0.024 0.000 1.066 661 K CA -1.882 54.377 56.287 -0.048 0.000 0.901 661 K CB 1.407 33.896 32.500 -0.019 0.000 1.089 661 K HN 0.085 nan 8.250 nan 0.000 0.476 662 P HA -0.106 nan 4.420 nan 0.000 0.264 662 P C -0.102 177.199 177.300 0.002 0.000 1.183 662 P CA 0.115 63.197 63.100 -0.031 0.000 0.763 662 P CB 0.654 32.316 31.700 -0.063 0.000 0.807 663 L N 1.510 122.752 121.223 0.031 0.000 2.638 663 L HA 0.492 4.848 4.340 0.026 0.000 0.195 663 L C 0.620 177.524 176.870 0.057 0.000 1.065 663 L CA 0.704 55.576 54.840 0.052 0.000 0.859 663 L CB 0.147 42.260 42.059 0.091 0.000 1.269 663 L HN 0.413 nan 8.230 nan 0.000 0.484 664 A N -0.608 122.261 122.820 0.083 0.000 2.606 664 A HA 0.655 4.990 4.320 0.026 0.000 0.293 664 A C -0.897 176.612 177.584 -0.124 0.000 1.082 664 A CA 0.256 52.336 52.037 0.072 0.000 0.685 664 A CB 1.837 20.996 19.000 0.266 0.000 1.284 664 A HN 0.230 nan 8.150 nan 0.000 0.408 665 S N -0.553 114.805 115.700 -0.571 0.000 2.615 665 S HA 0.930 5.416 4.470 0.026 0.000 0.268 665 S C -0.325 173.406 174.600 -1.448 0.000 1.146 665 S CA 0.256 57.712 58.200 -1.240 0.000 0.818 665 S CB 0.956 63.829 63.200 -0.545 0.000 1.111 665 S HN 2.738 nan 8.310 nan 0.000 0.465 666 G N 0.138 107.890 108.800 -1.746 0.000 2.340 666 G HA2 0.574 4.550 3.960 0.026 0.000 0.299 666 G HA3 0.574 4.550 3.960 0.026 0.000 0.299 666 G C -2.285 172.153 174.900 -0.770 0.000 1.291 666 G CA -0.703 43.821 45.100 -0.960 0.000 0.841 666 G HN 0.826 nan 8.290 nan 0.000 0.500 667 E N -1.571 118.449 120.200 -0.300 0.000 2.383 667 E HA 0.643 5.009 4.350 0.026 0.000 0.275 667 E C -1.395 175.209 176.600 0.006 0.000 0.918 667 E CA -0.808 55.447 56.400 -0.242 0.000 0.764 667 E CB 3.204 32.625 29.700 -0.465 0.000 1.252 667 E HN 0.426 nan 8.360 nan 0.000 0.449 668 V N 1.826 121.772 119.914 0.053 0.000 2.888 668 V HA 0.403 4.538 4.120 0.026 0.000 0.309 668 V C -2.563 173.567 176.094 0.060 0.000 1.114 668 V CA -2.013 60.335 62.300 0.079 0.000 0.940 668 V CB 2.037 33.938 31.823 0.131 0.000 1.021 668 V HN 0.550 nan 8.190 nan 0.000 0.426 669 P HA 0.345 nan 4.420 nan 0.000 0.271 669 P C -0.937 176.399 177.300 0.059 0.000 1.216 669 P CA -0.007 63.124 63.100 0.051 0.000 0.776 669 P CB 0.582 32.310 31.700 0.046 0.000 0.881 670 L N 3.285 124.541 121.223 0.056 0.000 2.287 670 L HA 0.369 4.724 4.340 0.026 0.000 0.287 670 L C 0.180 177.099 176.870 0.082 0.000 1.022 670 L CA -0.168 54.703 54.840 0.051 0.000 0.814 670 L CB 1.308 43.358 42.059 -0.015 0.000 1.217 670 L HN 0.302 nan 8.230 nan 0.000 0.420 671 D N 3.688 124.148 120.400 0.100 0.000 2.443 671 D HA 0.324 4.980 4.640 0.026 0.000 0.281 671 D C -1.175 175.219 176.300 0.157 0.000 1.210 671 D CA -0.200 53.884 54.000 0.140 0.000 0.875 671 D CB 0.901 41.771 40.800 0.117 0.000 1.125 671 D HN 0.056 nan 8.370 nan 0.000 0.503 672 V N 0.997 121.005 119.914 0.155 0.000 2.459 672 V HA 0.878 5.013 4.120 0.026 0.000 0.295 672 V C 0.880 176.914 176.094 -0.100 0.000 1.029 672 V CA -1.243 61.112 62.300 0.091 0.000 0.874 672 V CB 1.173 33.098 31.823 0.169 0.000 0.985 672 V HN 0.514 nan 8.190 nan 0.000 0.438 673 A N 6.112 128.745 122.820 -0.312 0.000 2.304 673 A HA 0.751 5.086 4.320 0.026 0.000 0.271 673 A C -2.334 175.054 177.584 -0.326 0.000 1.091 673 A CA -1.649 49.897 52.037 -0.817 0.000 0.812 673 A CB -0.091 18.646 19.000 -0.438 0.000 1.056 673 A HN 0.707 nan 8.150 nan 0.000 0.489 674 P HA -0.003 nan 4.420 nan 0.000 0.262 674 P C -0.349 176.891 177.300 -0.099 0.000 1.182 674 P CA 0.680 63.716 63.100 -0.107 0.000 0.761 674 P CB 0.447 32.102 31.700 -0.077 0.000 0.795 675 Q N -1.021 118.726 119.800 -0.088 0.000 2.305 675 Q HA -0.187 4.169 4.340 0.026 0.000 0.203 675 Q C 0.820 176.788 176.000 -0.053 0.000 0.663 675 Q CA 1.725 57.479 55.803 -0.081 0.000 1.389 675 Q CB -2.355 26.331 28.738 -0.086 0.000 1.566 675 Q HN 0.754 nan 8.270 nan 0.000 0.755 676 G N 0.396 109.168 108.800 -0.048 0.000 2.537 676 G HA2 0.524 4.499 3.960 0.026 0.000 0.297 676 G HA3 0.524 4.499 3.960 0.026 0.000 0.297 676 G C -0.275 174.631 174.900 0.009 0.000 1.310 676 G CA -0.545 44.542 45.100 -0.022 0.000 1.027 676 G HN -0.026 nan 8.290 nan 0.000 0.505 677 K N -0.527 119.886 120.400 0.022 0.000 2.328 677 K HA 0.444 4.780 4.320 0.026 0.000 0.246 677 K C -0.987 175.642 176.600 0.049 0.000 0.955 677 K CA -0.619 55.690 56.287 0.037 0.000 0.817 677 K CB 2.582 35.099 32.500 0.028 0.000 1.208 677 K HN 0.546 nan 8.250 nan 0.000 0.432 678 Q N 2.623 122.460 119.800 0.062 0.000 2.305 678 Q HA 0.409 4.764 4.340 0.026 0.000 0.271 678 Q C -1.631 174.402 176.000 0.056 0.000 1.046 678 Q CA -0.652 55.188 55.803 0.062 0.000 0.798 678 Q CB 1.540 30.323 28.738 0.075 0.000 1.286 678 Q HN 0.535 nan 8.270 nan 0.000 0.435 679 L N 5.033 126.279 121.223 0.038 0.000 2.307 679 L HA 0.577 4.932 4.340 0.026 0.000 0.284 679 L C -0.543 176.334 176.870 0.011 0.000 1.023 679 L CA -0.753 54.099 54.840 0.021 0.000 0.810 679 L CB 1.496 43.559 42.059 0.006 0.000 1.231 679 L HN 0.621 nan 8.230 nan 0.000 0.423 680 I N 2.963 123.530 120.570 -0.006 0.000 2.410 680 I HA 0.221 4.407 4.170 0.026 0.000 0.286 680 I C -0.202 175.859 176.117 -0.092 0.000 1.009 680 I CA -0.395 60.888 61.300 -0.029 0.000 1.111 680 I CB 2.227 40.220 38.000 -0.012 0.000 1.262 680 I HN 0.618 nan 8.210 nan 0.000 0.443 681 E N 7.428 127.572 120.200 -0.094 0.000 2.115 681 E HA 0.388 4.754 4.350 0.026 0.000 0.282 681 E C -1.042 175.442 176.600 -0.194 0.000 0.987 681 E CA -0.570 55.751 56.400 -0.132 0.000 0.797 681 E CB 1.050 30.696 29.700 -0.091 0.000 1.086 681 E HN 0.533 nan 8.360 nan 0.000 0.397 682 L N 6.385 127.430 121.223 -0.296 0.000 2.397 682 L HA 0.316 4.672 4.340 0.026 0.000 0.271 682 L C -1.764 174.921 176.870 -0.310 0.000 1.148 682 L CA -1.918 52.641 54.840 -0.468 0.000 0.825 682 L CB 0.574 42.261 42.059 -0.620 0.000 1.117 682 L HN 0.560 nan 8.230 nan 0.000 0.456 683 P HA -0.013 nan 4.420 nan 0.000 0.271 683 P C -0.633 176.605 177.300 -0.103 0.000 1.244 683 P CA -0.306 62.727 63.100 -0.113 0.000 0.793 683 P CB 0.459 32.164 31.700 0.008 0.000 0.984 684 E N 0.665 120.838 120.200 -0.046 0.000 2.354 684 E HA 0.174 4.539 4.350 0.026 0.000 0.269 684 E C -0.888 175.709 176.600 -0.004 0.000 1.036 684 E CA -0.401 55.977 56.400 -0.036 0.000 0.876 684 E CB 0.384 30.071 29.700 -0.021 0.000 1.009 684 E HN 0.249 nan 8.360 nan 0.000 0.416 685 L N 4.935 126.156 121.223 -0.003 0.000 2.387 685 L HA 0.331 4.686 4.340 0.026 0.000 0.266 685 L C -1.957 174.931 176.870 0.031 0.000 1.059 685 L CA -1.825 53.035 54.840 0.033 0.000 0.801 685 L CB 1.589 43.678 42.059 0.050 0.000 1.223 685 L HN 0.526 nan 8.230 nan 0.000 0.456 686 P HA 0.139 nan 4.420 nan 0.000 0.211 686 P C -1.191 176.129 177.300 0.034 0.000 1.833 686 P CA -0.598 62.524 63.100 0.036 0.000 0.938 686 P CB -0.027 31.698 31.700 0.040 0.000 1.808 687 Q N 1.340 121.157 119.800 0.028 0.000 3.120 687 Q HA -0.161 4.195 4.340 0.026 0.000 0.368 687 Q C -1.616 174.402 176.000 0.030 0.000 1.306 687 Q CA -0.514 55.304 55.803 0.026 0.000 0.806 687 Q CB -1.213 27.534 28.738 0.015 0.000 1.338 687 Q HN 0.360 nan 8.270 nan 0.000 0.593 688 P HA -0.204 nan 4.420 nan 0.000 0.263 688 P C -0.432 176.887 177.300 0.031 0.000 1.162 688 P CA 0.735 63.858 63.100 0.039 0.000 0.758 688 P CB 0.514 32.240 31.700 0.043 0.000 0.773 689 E N 0.750 120.968 120.200 0.031 0.000 2.526 689 E HA 0.010 4.376 4.350 0.026 0.000 0.198 689 E C 0.627 177.243 176.600 0.026 0.000 1.091 689 E CA 0.280 56.695 56.400 0.025 0.000 0.880 689 E CB 0.046 29.760 29.700 0.023 0.000 0.873 689 E HN 0.670 nan 8.360 nan 0.000 0.527 690 S N -1.480 114.238 115.700 0.030 0.000 2.640 690 S HA 0.402 4.887 4.470 0.026 0.000 0.276 690 S C -0.767 173.856 174.600 0.037 0.000 1.170 690 S CA -0.676 57.542 58.200 0.031 0.000 1.046 690 S CB 0.382 63.601 63.200 0.033 0.000 1.229 690 S HN 0.067 nan 8.310 nan 0.000 0.464 691 A N 0.073 122.917 122.820 0.039 0.000 2.366 691 A HA 0.857 5.192 4.320 0.026 0.000 0.249 691 A C 0.966 178.586 177.584 0.061 0.000 1.084 691 A CA 0.448 52.512 52.037 0.045 0.000 0.794 691 A CB -0.462 18.565 19.000 0.045 0.000 1.034 691 A HN 2.616 nan 8.150 nan 0.000 0.491 692 G N -0.597 108.242 108.800 0.065 0.000 2.359 692 G HA2 0.419 4.394 3.960 0.026 0.000 0.303 692 G HA3 0.419 4.394 3.960 0.026 0.000 0.303 692 G C -1.153 173.799 174.900 0.086 0.000 1.293 692 G CA -0.238 44.918 45.100 0.094 0.000 0.964 692 G HN 1.102 nan 8.290 nan 0.000 0.531 693 Q N -0.113 119.767 119.800 0.134 0.000 2.314 693 Q HA 0.720 5.075 4.340 0.026 0.000 0.259 693 Q C -0.208 175.896 176.000 0.173 0.000 0.951 693 Q CA -0.488 55.367 55.803 0.086 0.000 0.909 693 Q CB 1.154 29.921 28.738 0.049 0.000 1.236 693 Q HN 0.563 nan 8.270 nan 0.000 0.444 694 L N 4.169 125.427 121.223 0.057 0.000 2.349 694 L HA 0.447 4.803 4.340 0.026 0.000 0.275 694 L C -0.775 176.143 176.870 0.080 0.000 1.115 694 L CA -0.341 54.575 54.840 0.127 0.000 0.820 694 L CB 0.702 42.797 42.059 0.060 0.000 1.135 694 L HN 0.677 nan 8.230 nan 0.000 0.445 695 W N 4.159 125.530 121.300 0.119 0.000 2.739 695 W HA 0.491 5.166 4.660 0.025 0.000 0.331 695 W C -0.867 175.765 176.519 0.188 0.000 1.049 695 W CA -0.514 56.925 57.345 0.158 0.000 1.234 695 W CB 1.679 31.267 29.460 0.214 0.000 1.404 695 W HN 0.100 nan 8.180 nan 0.000 0.477 696 L N 3.488 124.985 121.223 0.455 0.000 2.307 696 L HA 0.781 5.136 4.340 0.026 0.000 0.284 696 L C -0.351 176.834 176.870 0.525 0.000 1.023 696 L CA 0.142 55.235 54.840 0.422 0.000 0.810 696 L CB 1.338 43.585 42.059 0.314 0.000 1.231 696 L HN 0.318 nan 8.230 nan 0.000 0.423 697 T N 5.124 119.933 114.554 0.426 0.000 2.848 697 T HA 0.647 5.013 4.350 0.026 0.000 0.285 697 T C -0.821 174.084 174.700 0.341 0.000 0.995 697 T CA -0.421 61.897 62.100 0.362 0.000 0.970 697 T CB 1.516 70.527 68.868 0.239 0.000 0.976 697 T HN 0.624 nan 8.240 nan 0.000 0.441 698 V N 1.956 122.054 119.914 0.307 0.000 2.680 698 V HA 0.907 5.043 4.120 0.026 0.000 0.309 698 V C -1.011 175.183 176.094 0.167 0.000 1.052 698 V CA -1.206 61.233 62.300 0.232 0.000 0.908 698 V CB 1.849 33.757 31.823 0.142 0.000 1.001 698 V HN 0.805 nan 8.190 nan 0.000 0.431 699 R N 2.652 123.275 120.500 0.204 0.000 2.628 699 R HA 0.779 5.134 4.340 0.026 0.000 0.288 699 R C -1.347 175.103 176.300 0.250 0.000 0.980 699 R CA -0.639 55.602 56.100 0.236 0.000 0.891 699 R CB 2.430 32.819 30.300 0.147 0.000 1.188 699 R HN 0.670 nan 8.270 nan 0.000 0.450 700 V N 3.233 123.325 119.914 0.296 0.000 2.465 700 V HA 0.416 4.551 4.120 0.026 0.000 0.279 700 V C -0.283 175.933 176.094 0.203 0.000 1.045 700 V CA -0.588 61.850 62.300 0.230 0.000 0.938 700 V CB 1.610 33.547 31.823 0.190 0.000 0.986 700 V HN 0.463 nan 8.190 nan 0.000 0.467 701 V N 5.005 125.023 119.914 0.173 0.000 2.604 701 V HA 0.405 4.541 4.120 0.026 0.000 0.305 701 V C -0.361 175.821 176.094 0.147 0.000 1.043 701 V CA -0.778 61.603 62.300 0.135 0.000 0.888 701 V CB 2.022 33.914 31.823 0.116 0.000 0.995 701 V HN 0.923 nan 8.190 nan 0.000 0.429 702 Q N 5.420 125.312 119.800 0.153 0.000 2.390 702 Q HA 0.284 4.639 4.340 0.026 0.000 0.249 702 Q C -1.870 174.178 176.000 0.080 0.000 0.996 702 Q CA -1.754 54.128 55.803 0.133 0.000 0.899 702 Q CB 1.784 30.608 28.738 0.145 0.000 1.216 702 Q HN 0.454 nan 8.270 nan 0.000 0.465 703 P HA -0.172 nan 4.420 nan 0.000 0.218 703 P C -0.560 176.752 177.300 0.021 0.000 1.149 703 P CA 1.156 64.287 63.100 0.051 0.000 0.817 703 P CB 0.372 32.105 31.700 0.054 0.000 0.785 704 N N -0.758 117.946 118.700 0.007 0.000 2.456 704 N HA 0.462 5.218 4.740 0.026 0.000 0.296 704 N C -0.400 175.068 175.510 -0.069 0.000 1.102 704 N CA -0.733 52.303 53.050 -0.023 0.000 0.924 704 N CB 0.995 39.470 38.487 -0.020 0.000 1.186 704 N HN -0.077 nan 8.380 nan 0.000 0.492 705 A N 0.613 123.383 122.820 -0.085 0.000 2.366 705 A HA 0.503 4.839 4.320 0.026 0.000 0.249 705 A C 0.507 177.978 177.584 -0.189 0.000 1.084 705 A CA -0.092 51.858 52.037 -0.145 0.000 0.794 705 A CB 0.060 19.000 19.000 -0.099 0.000 1.034 705 A HN 0.706 nan 8.150 nan 0.000 0.491 706 T N -2.943 111.420 114.554 -0.318 0.000 2.742 706 T HA 0.627 4.993 4.350 0.026 0.000 0.282 706 T C 1.013 175.560 174.700 -0.256 0.000 1.025 706 T CA 0.042 61.944 62.100 -0.330 0.000 1.020 706 T CB 1.070 69.522 68.868 -0.693 0.000 1.317 706 T HN 1.335 nan 8.240 nan 0.000 0.538 707 A N -0.043 122.706 122.820 -0.119 0.000 2.070 707 A HA 0.079 4.415 4.320 0.026 0.000 0.220 707 A C 1.689 179.379 177.584 0.176 0.000 1.159 707 A CA 1.208 53.273 52.037 0.047 0.000 0.656 707 A CB -0.913 18.154 19.000 0.112 0.000 0.800 707 A HN 0.918 nan 8.150 nan 0.000 0.453 708 W N -0.628 120.738 121.300 0.111 0.000 3.008 708 W HA 0.418 5.094 4.660 0.027 0.000 0.355 708 W C -0.233 176.264 176.519 -0.037 0.000 1.095 708 W CA 0.490 57.876 57.345 0.067 0.000 1.738 708 W CB -1.013 28.474 29.460 0.046 0.000 1.091 708 W HN 0.405 nan 8.180 nan 0.000 0.574 709 S N 0.046 115.335 115.700 -0.684 0.000 2.570 709 S HA 0.434 4.919 4.470 0.026 0.000 0.270 709 S C -0.869 173.507 174.600 -0.374 0.000 1.149 709 S CA -0.799 57.018 58.200 -0.639 0.000 0.837 709 S CB 2.589 64.976 63.200 -1.356 0.000 1.124 709 S HN 0.123 nan 8.310 nan 0.000 0.465 710 E N 0.656 120.744 120.200 -0.187 0.000 2.345 710 E HA 0.579 4.945 4.350 0.026 0.000 0.259 710 E C 0.272 176.836 176.600 -0.061 0.000 1.117 710 E CA -0.855 55.493 56.400 -0.087 0.000 0.913 710 E CB 0.818 30.510 29.700 -0.013 0.000 1.057 710 E HN 0.866 nan 8.360 nan 0.000 0.432 711 A N 0.551 123.348 122.820 -0.039 0.000 2.498 711 A HA 0.385 4.720 4.320 0.026 0.000 0.239 711 A C 1.166 178.760 177.584 0.017 0.000 1.068 711 A CA 0.658 52.686 52.037 -0.015 0.000 0.766 711 A CB -0.524 18.469 19.000 -0.012 0.000 1.003 711 A HN 0.819 nan 8.150 nan 0.000 0.497 712 G N 0.432 109.253 108.800 0.034 0.000 2.179 712 G HA2 -0.263 3.712 3.960 0.026 0.000 0.260 712 G HA3 -0.263 3.712 3.960 0.026 0.000 0.260 712 G C 0.255 175.190 174.900 0.058 0.000 0.977 712 G CA 0.780 45.900 45.100 0.033 0.000 0.641 712 G HN 1.798 nan 8.290 nan 0.000 0.533 713 H N 0.507 119.578 119.070 0.003 0.000 3.034 713 H HA 0.390 4.961 4.556 0.025 0.000 0.324 713 H C 0.763 176.157 175.328 0.111 0.000 1.015 713 H CA 0.268 56.343 56.048 0.045 0.000 1.429 713 H CB 0.155 29.924 29.762 0.011 0.000 1.429 713 H HN 0.294 nan 8.280 nan 0.000 0.585 714 I N 5.046 125.353 120.570 -0.439 0.000 2.301 714 I HA 0.008 4.193 4.170 0.026 0.000 0.292 714 I C 0.985 176.929 176.117 -0.288 0.000 1.046 714 I CA 0.098 61.259 61.300 -0.232 0.000 1.282 714 I CB 1.171 39.096 38.000 -0.124 0.000 1.409 714 I HN 0.780 nan 8.210 nan 0.000 0.484 715 S N 4.513 120.273 115.700 0.100 0.000 2.503 715 S HA 0.502 4.988 4.470 0.026 0.000 0.215 715 S C 0.527 175.409 174.600 0.469 0.000 1.003 715 S CA 0.052 58.477 58.200 0.376 0.000 0.910 715 S CB 0.498 64.052 63.200 0.590 0.000 0.790 715 S HN 0.691 nan 8.310 nan 0.000 0.514 716 A N 0.263 123.398 122.820 0.525 0.000 2.586 716 A HA 0.663 4.999 4.320 0.026 0.000 0.291 716 A C -1.791 176.190 177.584 0.663 0.000 1.062 716 A CA -0.798 51.544 52.037 0.508 0.000 0.666 716 A CB 0.255 19.597 19.000 0.569 0.000 1.281 716 A HN 0.998 nan 8.150 nan 0.000 0.421 717 W N -0.613 120.874 121.300 0.312 0.000 2.937 717 W HA 0.786 5.462 4.660 0.027 0.000 0.360 717 W C -1.260 175.312 176.519 0.088 0.000 1.215 717 W CA -0.503 56.913 57.345 0.119 0.000 1.183 717 W CB 0.996 30.494 29.460 0.063 0.000 1.458 717 W HN 1.156 nan 8.180 nan 0.000 0.574 718 Q N 0.910 120.784 119.800 0.123 0.000 2.666 718 Q HA 0.417 4.773 4.340 0.026 0.000 0.276 718 Q C -1.716 174.172 176.000 -0.186 0.000 0.952 718 Q CA -0.447 55.264 55.803 -0.152 0.000 0.850 718 Q CB 2.180 30.620 28.738 -0.497 0.000 1.512 718 Q HN 0.621 nan 8.270 nan 0.000 0.395 719 Q N 1.180 120.789 119.800 -0.318 0.000 2.451 719 Q HA 0.683 5.038 4.340 0.026 0.000 0.281 719 Q C -1.218 174.662 176.000 -0.199 0.000 1.099 719 Q CA -0.718 55.101 55.803 0.027 0.000 0.806 719 Q CB 2.416 31.359 28.738 0.342 0.000 1.419 719 Q HN 0.636 nan 8.270 nan 0.000 0.427 720 W N 0.718 122.148 121.300 0.217 0.000 3.167 720 W HA 0.439 5.114 4.660 0.025 0.000 0.324 720 W C -0.519 175.877 176.519 -0.205 0.000 1.230 720 W CA -0.710 56.647 57.345 0.020 0.000 1.184 720 W CB 1.641 31.099 29.460 -0.003 0.000 1.414 720 W HN 0.395 nan 8.180 nan 0.000 0.551 721 R N 1.850 122.172 120.500 -0.297 0.000 2.308 721 R HA 0.461 4.816 4.340 0.026 0.000 0.305 721 R C 0.454 176.590 176.300 -0.272 0.000 1.053 721 R CA -0.169 55.516 56.100 -0.692 0.000 0.957 721 R CB 1.258 31.137 30.300 -0.703 0.000 1.022 721 R HN 0.322 nan 8.270 nan 0.000 0.461 722 L N 1.379 122.469 121.223 -0.222 0.000 2.674 722 L HA 0.490 4.846 4.340 0.026 0.000 0.182 722 L C 0.589 177.386 176.870 -0.122 0.000 1.867 722 L CA -0.809 53.961 54.840 -0.117 0.000 2.994 722 L CB -0.204 41.823 42.059 -0.052 0.000 2.945 722 L HN 0.577 nan 8.230 nan 0.000 0.729 723 A N 0.520 123.295 122.820 -0.075 0.000 2.462 723 A HA 0.207 4.542 4.320 0.026 0.000 0.243 723 A C -0.310 177.237 177.584 -0.061 0.000 1.076 723 A CA 0.167 52.167 52.037 -0.060 0.000 0.773 723 A CB 0.111 19.091 19.000 -0.033 0.000 1.010 723 A HN 0.559 nan 8.150 nan 0.000 0.493 724 E N 1.691 121.858 120.200 -0.055 0.000 2.187 724 E HA 0.300 4.665 4.350 0.026 0.000 0.268 724 E C -1.273 175.321 176.600 -0.011 0.000 0.896 724 E CA -0.726 55.650 56.400 -0.040 0.000 0.766 724 E CB 0.812 30.480 29.700 -0.055 0.000 1.142 724 E HN 0.679 nan 8.360 nan 0.000 0.408 725 N N 5.403 124.109 118.700 0.010 0.000 2.558 725 N HA 0.244 4.999 4.740 0.026 0.000 0.242 725 N C -0.547 174.977 175.510 0.024 0.000 0.979 725 N CA -0.314 52.746 53.050 0.016 0.000 0.931 725 N CB 1.023 39.524 38.487 0.023 0.000 1.122 725 N HN 0.485 nan 8.380 nan 0.000 0.508 726 L N 0.921 122.156 121.223 0.019 0.000 2.453 726 L HA 0.082 4.437 4.340 0.026 0.000 0.272 726 L C 1.340 178.228 176.870 0.030 0.000 1.182 726 L CA 0.005 54.861 54.840 0.026 0.000 0.858 726 L CB 0.392 42.464 42.059 0.023 0.000 1.120 726 L HN 0.379 nan 8.230 nan 0.000 0.474 727 S N 2.345 118.068 115.700 0.038 0.000 2.481 727 S HA 0.237 4.723 4.470 0.026 0.000 0.276 727 S C 0.599 175.218 174.600 0.032 0.000 1.247 727 S CA -0.629 57.593 58.200 0.037 0.000 1.053 727 S CB 1.109 64.336 63.200 0.045 0.000 0.925 727 S HN 0.498 nan 8.310 nan 0.000 0.491 728 V N 2.312 122.242 119.914 0.027 0.000 3.556 728 V HA 0.338 4.473 4.120 0.026 0.000 0.287 728 V C 0.690 176.798 176.094 0.022 0.000 1.422 728 V CA 0.474 62.788 62.300 0.023 0.000 1.038 728 V CB -0.579 31.256 31.823 0.019 0.000 0.850 728 V HN 0.908 nan 8.190 nan 0.000 0.437 729 T N 2.163 116.731 114.554 0.023 0.000 2.780 729 T HA 0.657 5.022 4.350 0.026 0.000 0.294 729 T C -0.207 174.506 174.700 0.022 0.000 0.949 729 T CA -0.553 61.560 62.100 0.021 0.000 1.074 729 T CB 0.861 69.741 68.868 0.021 0.000 0.910 729 T HN 0.352 nan 8.240 nan 0.000 0.501 730 L N 3.971 125.205 121.223 0.018 0.000 2.456 730 L HA 0.404 4.759 4.340 0.026 0.000 0.272 730 L C -1.543 175.335 176.870 0.015 0.000 1.189 730 L CA -1.591 53.258 54.840 0.016 0.000 0.846 730 L CB -1.283 40.782 42.059 0.011 0.000 1.111 730 L HN 0.493 nan 8.230 nan 0.000 0.475 731 P HA 0.346 nan 4.420 nan 0.000 0.272 731 P C -0.312 176.988 177.300 -0.000 0.000 1.230 731 P CA -0.580 62.527 63.100 0.012 0.000 0.788 731 P CB 0.585 32.294 31.700 0.015 0.000 0.949 732 A N 1.247 124.065 122.820 -0.004 0.000 2.364 732 A HA 0.460 4.795 4.320 0.026 0.000 0.258 732 A C 0.375 177.928 177.584 -0.052 0.000 1.131 732 A CA 0.157 52.183 52.037 -0.018 0.000 0.800 732 A CB -0.721 18.273 19.000 -0.009 0.000 1.086 732 A HN 0.688 nan 8.150 nan 0.000 0.508 733 A N 0.103 122.871 122.820 -0.086 0.000 2.274 733 A HA 0.555 4.890 4.320 0.026 0.000 0.309 733 A C 0.306 177.678 177.584 -0.353 0.000 1.226 733 A CA 0.074 52.021 52.037 -0.150 0.000 0.853 733 A CB 0.261 19.195 19.000 -0.110 0.000 1.146 733 A HN 1.102 nan 8.150 nan 0.000 0.518 734 S N 1.127 116.639 115.700 -0.312 0.000 2.452 734 S HA 0.350 4.835 4.470 0.026 0.000 0.284 734 S C 0.988 175.340 174.600 -0.414 0.000 1.171 734 S CA -0.575 57.353 58.200 -0.453 0.000 1.064 734 S CB -0.029 63.082 63.200 -0.149 0.000 0.967 734 S HN 0.739 nan 8.310 nan 0.000 0.484 735 H N 3.585 122.667 119.070 0.020 0.000 2.423 735 H HA 0.248 4.819 4.556 0.026 0.000 0.297 735 H C 1.236 176.577 175.328 0.022 0.000 1.075 735 H CA 0.726 56.785 56.048 0.019 0.000 1.342 735 H CB -0.766 29.006 29.762 0.016 0.000 1.395 735 H HN 0.654 nan 8.280 nan 0.000 0.530 736 A N 1.511 124.448 122.820 0.195 0.000 2.565 736 A HA 0.253 4.588 4.320 0.026 0.000 0.237 736 A C 0.088 177.717 177.584 0.075 0.000 1.053 736 A CA 0.096 52.211 52.037 0.130 0.000 0.755 736 A CB -0.518 18.561 19.000 0.131 0.000 0.980 736 A HN 0.415 nan 8.150 nan 0.000 0.506 737 I N 4.107 124.721 120.570 0.075 0.000 2.512 737 I HA 0.553 4.739 4.170 0.026 0.000 0.287 737 I C -2.517 173.644 176.117 0.073 0.000 1.069 737 I CA -2.673 58.661 61.300 0.057 0.000 1.056 737 I CB 2.035 40.065 38.000 0.049 0.000 1.229 737 I HN 0.440 nan 8.210 nan 0.000 0.429 738 P HA 0.136 nan 4.420 nan 0.000 0.269 738 P C -1.199 176.159 177.300 0.098 0.000 1.209 738 P CA 0.261 63.405 63.100 0.075 0.000 0.776 738 P CB 0.406 32.103 31.700 -0.005 0.000 0.876 739 H N 2.484 121.581 119.070 0.046 0.000 2.524 739 H HA 0.426 4.998 4.556 0.026 0.000 0.353 739 H C -1.309 174.045 175.328 0.044 0.000 1.136 739 H CA -0.987 55.082 56.048 0.034 0.000 1.193 739 H CB 1.734 31.518 29.762 0.036 0.000 1.558 739 H HN 0.245 nan 8.280 nan 0.000 0.515 740 L N 4.557 125.287 121.223 -0.822 0.000 2.265 740 L HA 0.311 4.666 4.340 0.026 0.000 0.289 740 L C -0.715 175.851 176.870 -0.508 0.000 1.033 740 L CA -0.075 54.454 54.840 -0.518 0.000 0.814 740 L CB 1.312 43.171 42.059 -0.333 0.000 1.203 740 L HN 0.548 nan 8.230 nan 0.000 0.423 741 T N 3.681 118.238 114.554 0.005 0.000 2.758 741 T HA 0.460 4.825 4.350 0.026 0.000 0.285 741 T C -0.112 174.686 174.700 0.164 0.000 0.981 741 T CA -0.271 61.928 62.100 0.166 0.000 0.965 741 T CB 0.819 69.818 68.868 0.218 0.000 0.927 741 T HN 0.677 nan 8.240 nan 0.000 0.448 742 T N 3.165 117.811 114.554 0.154 0.000 2.824 742 T HA 0.675 5.041 4.350 0.026 0.000 0.280 742 T C 0.166 174.915 174.700 0.081 0.000 0.995 742 T CA -0.713 61.499 62.100 0.188 0.000 1.009 742 T CB 1.210 70.218 68.868 0.232 0.000 0.955 742 T HN 0.707 nan 8.240 nan 0.000 0.452 743 S N 1.090 116.793 115.700 0.006 0.000 2.740 743 S HA 0.423 4.908 4.470 0.026 0.000 0.300 743 S C 1.141 175.685 174.600 -0.094 0.000 1.147 743 S CA -0.844 57.340 58.200 -0.026 0.000 0.871 743 S CB 1.551 64.740 63.200 -0.018 0.000 1.173 743 S HN 0.799 nan 8.310 nan 0.000 0.510 744 E N -0.012 120.144 120.200 -0.073 0.000 2.107 744 E HA -0.105 4.260 4.350 0.026 0.000 0.191 744 E C 1.121 177.635 176.600 -0.143 0.000 0.982 744 E CA 0.813 57.154 56.400 -0.099 0.000 0.809 744 E CB -0.312 29.353 29.700 -0.059 0.000 0.756 744 E HN 0.537 nan 8.360 nan 0.000 0.459 745 M N 0.807 120.342 119.600 -0.109 0.000 2.509 745 M HA 0.251 4.747 4.480 0.026 0.000 0.250 745 M C -0.185 176.033 176.300 -0.137 0.000 1.132 745 M CA 0.529 55.766 55.300 -0.104 0.000 1.080 745 M CB -0.064 32.511 32.600 -0.042 0.000 1.408 745 M HN 0.016 nan 8.290 nan 0.000 0.484 746 D N -1.104 119.195 120.400 -0.168 0.000 2.583 746 D HA 0.443 5.098 4.640 0.026 0.000 0.248 746 D C -1.427 174.766 176.300 -0.179 0.000 1.209 746 D CA -0.359 53.566 54.000 -0.125 0.000 0.848 746 D CB 2.354 43.169 40.800 0.025 0.000 1.431 746 D HN -0.074 nan 8.370 nan 0.000 0.436 747 F N 0.631 120.657 119.950 0.126 0.000 2.458 747 F HA 0.429 4.971 4.527 0.026 0.000 0.336 747 F C 0.141 176.053 175.800 0.185 0.000 1.114 747 F CA -0.651 57.410 58.000 0.101 0.000 0.987 747 F CB 1.523 40.537 39.000 0.023 0.000 1.130 747 F HN 0.066 nan 8.300 nan 0.000 0.458 748 C N 3.975 123.480 119.300 0.341 0.000 2.507 748 C HA 0.740 5.215 4.460 0.026 0.000 0.319 748 C C -0.633 174.522 174.990 0.275 0.000 1.208 748 C CA -0.752 58.450 59.018 0.308 0.000 1.619 748 C CB 1.209 29.071 27.740 0.204 0.000 2.230 748 C HN 0.489 nan 8.230 nan 0.000 0.492 749 I N 2.402 123.190 120.570 0.363 0.000 2.436 749 I HA 0.489 4.674 4.170 0.026 0.000 0.289 749 I C -0.078 176.325 176.117 0.477 0.000 1.010 749 I CA -0.226 61.278 61.300 0.339 0.000 1.098 749 I CB 1.121 39.251 38.000 0.217 0.000 1.266 749 I HN 0.585 nan 8.210 nan 0.000 0.434 750 E N 5.102 125.511 120.200 0.350 0.000 2.248 750 E HA 0.730 5.095 4.350 0.026 0.000 0.267 750 E C -1.548 175.232 176.600 0.300 0.000 0.877 750 E CA -0.925 55.662 56.400 0.311 0.000 0.759 750 E CB 2.886 32.684 29.700 0.164 0.000 1.182 750 E HN 0.438 nan 8.360 nan 0.000 0.418 751 L N 3.245 124.659 121.223 0.318 0.000 2.568 751 L HA 0.416 4.771 4.340 0.026 0.000 0.262 751 L C 0.226 177.197 176.870 0.167 0.000 0.980 751 L CA 0.356 55.349 54.840 0.256 0.000 0.882 751 L CB 1.060 43.313 42.059 0.322 0.000 1.198 751 L HN 0.773 nan 8.230 nan 0.000 0.425 752 G N 4.148 113.008 108.800 0.101 0.000 2.660 752 G HA2 -0.457 3.518 3.960 0.026 0.000 0.321 752 G HA3 -0.457 3.518 3.960 0.026 0.000 0.321 752 G C 0.614 175.528 174.900 0.023 0.000 1.246 752 G CA 0.701 45.834 45.100 0.055 0.000 1.000 752 G HN 1.127 nan 8.290 nan 0.000 0.550 753 N N 1.662 120.368 118.700 0.011 0.000 2.501 753 N HA 0.108 4.864 4.740 0.026 0.000 0.195 753 N C 0.409 175.887 175.510 -0.052 0.000 1.213 753 N CA 0.999 54.036 53.050 -0.022 0.000 0.864 753 N CB 0.124 38.597 38.487 -0.024 0.000 0.999 753 N HN 0.736 nan 8.380 nan 0.000 0.454 754 K N 0.095 120.468 120.400 -0.046 0.000 2.259 754 K HA 0.475 4.811 4.320 0.026 0.000 0.249 754 K C -0.605 175.865 176.600 -0.217 0.000 0.942 754 K CA -0.772 55.385 56.287 -0.218 0.000 0.816 754 K CB 2.546 34.831 32.500 -0.357 0.000 1.155 754 K HN 0.005 nan 8.250 nan 0.000 0.428 755 R N 1.886 122.140 120.500 -0.411 0.000 2.668 755 R HA 0.398 4.753 4.340 0.026 0.000 0.272 755 R C -1.656 174.550 176.300 -0.158 0.000 1.019 755 R CA -0.624 55.420 56.100 -0.092 0.000 0.894 755 R CB 1.424 31.694 30.300 -0.051 0.000 1.228 755 R HN 0.644 nan 8.270 nan 0.000 0.460 756 W N 3.144 124.569 121.300 0.208 0.000 2.839 756 W HA 0.311 4.986 4.660 0.026 0.000 0.334 756 W C -0.741 175.895 176.519 0.195 0.000 1.064 756 W CA -0.714 56.711 57.345 0.132 0.000 1.236 756 W CB 2.213 31.722 29.460 0.082 0.000 1.405 756 W HN 0.454 nan 8.180 nan 0.000 0.478 757 Q N 2.735 122.716 119.800 0.302 0.000 2.333 757 Q HA 0.417 4.773 4.340 0.026 0.000 0.268 757 Q C -1.757 174.263 176.000 0.033 0.000 1.007 757 Q CA -0.498 55.472 55.803 0.279 0.000 0.810 757 Q CB 1.262 30.219 28.738 0.365 0.000 1.264 757 Q HN 0.337 nan 8.270 nan 0.000 0.452 758 F N 2.582 122.630 119.950 0.163 0.000 2.444 758 F HA 0.306 4.848 4.527 0.026 0.000 0.342 758 F C 0.624 176.467 175.800 0.072 0.000 1.121 758 F CA -0.844 57.215 58.000 0.098 0.000 0.997 758 F CB 1.269 40.315 39.000 0.076 0.000 1.130 758 F HN 0.471 nan 8.300 nan 0.000 0.454 759 N N 3.838 122.654 118.700 0.194 0.000 2.420 759 N HA 0.074 4.829 4.740 0.026 0.000 0.262 759 N C 0.927 176.463 175.510 0.044 0.000 1.144 759 N CA -0.078 53.034 53.050 0.103 0.000 0.952 759 N CB 0.672 39.224 38.487 0.109 0.000 1.081 759 N HN 0.709 nan 8.380 nan 0.000 0.480 760 R N 2.067 122.526 120.500 -0.068 0.000 2.189 760 R HA -0.077 4.278 4.340 0.026 0.000 0.223 760 R C 1.638 177.881 176.300 -0.094 0.000 1.092 760 R CA 0.802 56.811 56.100 -0.152 0.000 0.989 760 R CB 0.178 30.270 30.300 -0.346 0.000 0.876 760 R HN 0.669 nan 8.270 nan 0.000 0.457 761 Q N -0.022 119.748 119.800 -0.051 0.000 2.302 761 Q HA -0.031 4.325 4.340 0.026 0.000 0.202 761 Q C 1.880 177.870 176.000 -0.017 0.000 0.936 761 Q CA 1.437 57.220 55.803 -0.032 0.000 0.886 761 Q CB 0.477 29.212 28.738 -0.004 0.000 0.986 761 Q HN 0.321 nan 8.270 nan 0.000 0.487 762 S N -2.173 113.534 115.700 0.012 0.000 2.475 762 S HA 0.152 4.638 4.470 0.026 0.000 0.224 762 S C 1.411 175.902 174.600 -0.180 0.000 1.042 762 S CA 0.913 59.137 58.200 0.040 0.000 0.935 762 S CB 0.639 63.982 63.200 0.237 0.000 0.801 762 S HN 0.432 nan 8.310 nan 0.000 0.509 763 G N 0.466 109.186 108.800 -0.134 0.000 2.159 763 G HA2 -0.204 3.772 3.960 0.026 0.000 0.256 763 G HA3 -0.204 3.772 3.960 0.026 0.000 0.256 763 G C -0.088 174.691 174.900 -0.201 0.000 0.977 763 G CA 0.310 45.305 45.100 -0.175 0.000 0.652 763 G HN 0.541 nan 8.290 nan 0.000 0.531 764 F N -1.039 119.088 119.950 0.295 0.000 2.523 764 F HA 0.688 5.230 4.527 0.026 0.000 0.329 764 F C 0.501 176.343 175.800 0.070 0.000 1.061 764 F CA -1.465 56.666 58.000 0.218 0.000 0.967 764 F CB 1.412 40.502 39.000 0.151 0.000 1.218 764 F HN 0.008 nan 8.300 nan 0.000 0.480 765 L N 1.599 122.881 121.223 0.098 0.000 2.456 765 L HA 0.207 4.563 4.340 0.026 0.000 0.277 765 L C 0.517 177.309 176.870 -0.129 0.000 1.124 765 L CA 0.774 55.366 54.840 -0.413 0.000 0.880 765 L CB 0.300 42.029 42.059 -0.550 0.000 1.192 765 L HN 0.656 nan 8.230 nan 0.000 0.463 766 S N 2.625 118.258 115.700 -0.112 0.000 2.492 766 S HA 0.193 4.678 4.470 0.026 0.000 0.218 766 S C 0.315 174.816 174.600 -0.165 0.000 1.016 766 S CA 0.051 58.215 58.200 -0.060 0.000 0.916 766 S CB 0.124 63.334 63.200 0.015 0.000 0.791 766 S HN 0.699 nan 8.310 nan 0.000 0.513 767 Q N -0.233 119.421 119.800 -0.244 0.000 2.482 767 Q HA 0.661 5.017 4.340 0.026 0.000 0.286 767 Q C -1.890 173.804 176.000 -0.510 0.000 1.007 767 Q CA -0.269 55.249 55.803 -0.476 0.000 0.801 767 Q CB 1.475 29.809 28.738 -0.673 0.000 1.455 767 Q HN 0.182 nan 8.270 nan 0.000 0.398 768 M N 1.559 120.724 119.600 -0.725 0.000 2.371 768 M HA 0.531 5.027 4.480 0.026 0.000 0.287 768 M C -1.664 174.266 176.300 -0.617 0.000 1.149 768 M CA -0.391 54.568 55.300 -0.569 0.000 0.929 768 M CB 2.010 34.252 32.600 -0.598 0.000 1.683 768 M HN 0.528 nan 8.290 nan 0.000 0.470 769 W N 3.527 124.592 121.300 -0.392 0.000 2.781 769 W HA 0.641 5.317 4.660 0.026 0.000 0.345 769 W C -1.114 175.212 176.519 -0.321 0.000 1.085 769 W CA -0.695 56.482 57.345 -0.279 0.000 1.198 769 W CB 1.666 30.999 29.460 -0.211 0.000 1.423 769 W HN 0.463 nan 8.180 nan 0.000 0.532 770 I N 2.842 123.403 120.570 -0.015 0.000 2.437 770 I HA 0.374 4.559 4.170 0.026 0.000 0.279 770 I C 0.727 176.833 176.117 -0.018 0.000 1.028 770 I CA 0.196 61.451 61.300 -0.076 0.000 1.142 770 I CB 0.898 38.830 38.000 -0.113 0.000 1.266 770 I HN 0.736 nan 8.210 nan 0.000 0.461 771 G N 5.890 114.681 108.800 -0.015 0.000 2.527 771 G HA2 -0.306 3.670 3.960 0.026 0.000 0.262 771 G HA3 -0.306 3.670 3.960 0.026 0.000 0.262 771 G C 0.108 175.031 174.900 0.038 0.000 1.153 771 G CA 0.508 45.604 45.100 -0.007 0.000 0.954 771 G HN 0.682 nan 8.290 nan 0.000 0.552 772 D N 0.771 121.204 120.400 0.056 0.000 2.398 772 D HA 0.196 4.851 4.640 0.026 0.000 0.210 772 D C 0.983 177.405 176.300 0.204 0.000 1.094 772 D CA 0.664 54.736 54.000 0.121 0.000 0.839 772 D CB 0.222 41.053 40.800 0.050 0.000 0.963 772 D HN 0.712 nan 8.370 nan 0.000 0.506 773 K N 1.988 122.456 120.400 0.114 0.000 2.310 773 K HA 0.121 4.456 4.320 0.026 0.000 0.290 773 K C -0.322 176.250 176.600 -0.046 0.000 1.077 773 K CA -0.420 55.887 56.287 0.033 0.000 0.922 773 K CB 0.754 33.242 32.500 -0.021 0.000 1.057 773 K HN -0.174 nan 8.250 nan 0.000 0.479 774 K N 2.918 123.221 120.400 -0.161 0.000 2.436 774 K HA -0.030 4.305 4.320 0.026 0.000 0.275 774 K C 0.920 177.334 176.600 -0.311 0.000 0.999 774 K CA -0.038 55.966 56.287 -0.472 0.000 0.980 774 K CB 0.766 33.018 32.500 -0.412 0.000 0.919 774 K HN 0.580 nan 8.250 nan 0.000 0.484 775 Q N 1.458 121.042 119.800 -0.360 0.000 2.392 775 Q HA 0.175 4.531 4.340 0.026 0.000 0.219 775 Q C 0.033 175.956 176.000 -0.128 0.000 0.895 775 Q CA 0.537 56.247 55.803 -0.156 0.000 0.929 775 Q CB 0.522 29.208 28.738 -0.086 0.000 1.077 775 Q HN 0.493 nan 8.270 nan 0.000 0.532 776 L N 0.807 121.893 121.223 -0.228 0.000 2.346 776 L HA 0.367 4.723 4.340 0.026 0.000 0.276 776 L C 1.026 177.768 176.870 -0.213 0.000 1.006 776 L CA -0.357 54.363 54.840 -0.200 0.000 0.817 776 L CB 1.733 43.664 42.059 -0.213 0.000 1.272 776 L HN -0.057 nan 8.230 nan 0.000 0.421 777 L N 0.830 121.921 121.223 -0.220 0.000 2.298 777 L HA 0.180 4.535 4.340 0.026 0.000 0.209 777 L C 0.210 176.972 176.870 -0.180 0.000 1.084 777 L CA 0.912 55.629 54.840 -0.205 0.000 0.816 777 L CB 0.463 42.373 42.059 -0.249 0.000 0.967 777 L HN 0.640 nan 8.230 nan 0.000 0.460 778 T N -0.331 114.092 114.554 -0.219 0.000 2.933 778 T HA 0.380 4.745 4.350 0.026 0.000 0.305 778 T C -2.559 172.077 174.700 -0.107 0.000 1.092 778 T CA -1.109 60.914 62.100 -0.128 0.000 1.008 778 T CB 2.431 71.212 68.868 -0.145 0.000 1.102 778 T HN -0.265 nan 8.240 nan 0.000 0.469 779 P HA 0.151 nan 4.420 nan 0.000 0.269 779 P C -0.692 176.581 177.300 -0.044 0.000 1.217 779 P CA -0.669 62.412 63.100 -0.032 0.000 0.783 779 P CB 0.414 32.132 31.700 0.029 0.000 0.898 780 L N 3.475 124.707 121.223 0.015 0.000 2.283 780 L HA 0.299 4.655 4.340 0.026 0.000 0.287 780 L C 0.052 176.889 176.870 -0.055 0.000 1.073 780 L CA 0.510 55.386 54.840 0.059 0.000 0.822 780 L CB -0.498 41.702 42.059 0.235 0.000 1.186 780 L HN 0.300 nan 8.230 nan 0.000 0.436 781 R N 2.640 123.003 120.500 -0.228 0.000 2.867 781 R HA 0.486 4.841 4.340 0.026 0.000 0.268 781 R C -0.967 175.175 176.300 -0.262 0.000 1.014 781 R CA -1.086 54.712 56.100 -0.504 0.000 0.946 781 R CB 1.089 30.885 30.300 -0.841 0.000 1.208 781 R HN 0.522 nan 8.270 nan 0.000 0.477 782 D N 1.139 121.429 120.400 -0.183 0.000 2.400 782 D HA 0.022 4.678 4.640 0.026 0.000 0.238 782 D C -0.431 175.425 176.300 -0.741 0.000 1.157 782 D CA 0.553 54.289 54.000 -0.440 0.000 0.889 782 D CB 0.605 41.060 40.800 -0.576 0.000 1.199 782 D HN 0.232 nan 8.370 nan 0.000 0.436 783 Q N 1.044 120.233 119.800 -1.018 0.000 2.285 783 Q HA 0.342 4.697 4.340 0.026 0.000 0.269 783 Q C -1.311 173.946 176.000 -1.238 0.000 1.030 783 Q CA -0.589 54.663 55.803 -0.918 0.000 0.788 783 Q CB 0.808 29.239 28.738 -0.512 0.000 1.266 783 Q HN 0.560 nan 8.270 nan 0.000 0.438 784 F N 0.951 120.489 119.950 -0.686 0.000 2.688 784 F HA 0.222 4.764 4.527 0.025 0.000 0.310 784 F C 0.515 175.849 175.800 -0.776 0.000 1.098 784 F CA -0.205 57.282 58.000 -0.855 0.000 1.228 784 F CB 1.499 39.665 39.000 -1.389 0.000 1.042 784 F HN 0.457 nan 8.300 nan 0.000 0.557 785 T N -0.941 113.287 114.554 -0.544 0.000 2.887 785 T HA 0.768 5.134 4.350 0.026 0.000 0.292 785 T C -0.665 173.777 174.700 -0.431 0.000 1.087 785 T CA -1.023 60.695 62.100 -0.636 0.000 1.009 785 T CB 2.777 71.219 68.868 -0.712 0.000 1.203 785 T HN 0.246 nan 8.240 nan 0.000 0.518 786 R N -0.188 120.107 120.500 -0.342 0.000 2.698 786 R HA 0.763 5.119 4.340 0.026 0.000 0.275 786 R C -0.829 175.517 176.300 0.077 0.000 1.001 786 R CA -1.162 54.864 56.100 -0.123 0.000 0.896 786 R CB 1.541 31.765 30.300 -0.126 0.000 1.218 786 R HN 0.865 nan 8.270 nan 0.000 0.462 787 A N 3.845 126.699 122.820 0.056 0.000 2.522 787 A HA 0.271 4.607 4.320 0.026 0.000 0.256 787 A C -1.976 175.669 177.584 0.102 0.000 1.086 787 A CA -1.222 50.850 52.037 0.058 0.000 0.763 787 A CB -0.464 18.517 19.000 -0.033 0.000 1.024 787 A HN 0.582 nan 8.150 nan 0.000 0.502 788 P HA 0.089 nan 4.420 nan 0.000 0.263 788 P C -0.115 177.295 177.300 0.184 0.000 1.195 788 P CA 0.402 63.651 63.100 0.249 0.000 0.762 788 P CB 0.317 32.200 31.700 0.306 0.000 0.799 789 L N 2.583 123.879 121.223 0.121 0.000 2.475 789 L HA 0.118 4.473 4.340 0.026 0.000 0.250 789 L C 1.855 178.743 176.870 0.031 0.000 1.224 789 L CA -0.297 54.551 54.840 0.013 0.000 0.821 789 L CB -0.106 41.893 42.059 -0.100 0.000 1.141 789 L HN 0.310 nan 8.230 nan 0.000 0.494 790 D N 0.159 120.513 120.400 -0.077 0.000 2.178 790 D HA -0.140 4.516 4.640 0.026 0.000 0.201 790 D C 1.636 177.862 176.300 -0.124 0.000 0.980 790 D CA 1.186 55.071 54.000 -0.192 0.000 0.842 790 D CB 0.038 40.640 40.800 -0.330 0.000 0.948 790 D HN 0.460 nan 8.370 nan 0.000 0.472 791 N N 1.091 119.737 118.700 -0.090 0.000 2.309 791 N HA -0.109 4.647 4.740 0.026 0.000 0.182 791 N C 1.148 176.678 175.510 0.033 0.000 1.018 791 N CA 0.717 53.747 53.050 -0.032 0.000 0.876 791 N CB -0.134 38.324 38.487 -0.050 0.000 0.972 791 N HN 0.256 nan 8.380 nan 0.000 0.434 792 D N 0.292 120.724 120.400 0.054 0.000 2.194 792 D HA 0.045 4.701 4.640 0.026 0.000 0.204 792 D C 1.960 178.312 176.300 0.086 0.000 0.964 792 D CA 0.419 54.489 54.000 0.116 0.000 0.846 792 D CB 0.162 41.113 40.800 0.252 0.000 0.962 792 D HN 0.321 nan 8.370 nan 0.000 0.490 793 I N 0.167 120.771 120.570 0.056 0.000 2.585 793 I HA 0.081 4.266 4.170 0.026 0.000 0.254 793 I C 1.739 177.879 176.117 0.037 0.000 1.129 793 I CA 0.576 61.894 61.300 0.029 0.000 1.455 793 I CB -0.265 37.718 38.000 -0.028 0.000 1.111 793 I HN 0.045 nan 8.210 nan 0.000 0.433 794 G N 1.328 110.166 108.800 0.064 0.000 2.566 794 G HA2 -0.330 3.645 3.960 0.026 0.000 0.280 794 G HA3 -0.330 3.645 3.960 0.026 0.000 0.280 794 G C 0.662 175.725 174.900 0.272 0.000 1.225 794 G CA 0.645 45.849 45.100 0.175 0.000 0.966 794 G HN 0.525 nan 8.290 nan 0.000 0.560 795 V N -1.829 118.194 119.914 0.183 0.000 3.649 795 V HA 0.565 4.700 4.120 0.026 0.000 0.275 795 V C 1.419 177.536 176.094 0.039 0.000 1.281 795 V CA 1.341 63.700 62.300 0.099 0.000 1.143 795 V CB -0.065 31.703 31.823 -0.091 0.000 0.892 795 V HN 1.387 nan 8.190 nan 0.000 0.441 796 S N 0.956 116.675 115.700 0.032 0.000 2.563 796 S HA 0.246 4.731 4.470 0.026 0.000 0.284 796 S C -0.087 174.518 174.600 0.009 0.000 1.331 796 S CA 0.244 58.446 58.200 0.003 0.000 1.047 796 S CB 0.327 63.525 63.200 -0.003 0.000 0.859 796 S HN 0.831 nan 8.310 nan 0.000 0.514 797 E N 0.831 121.032 120.200 0.000 0.000 2.413 797 E HA 0.555 4.920 4.350 0.026 0.000 0.277 797 E C 0.380 176.985 176.600 0.008 0.000 0.958 797 E CA -0.376 56.029 56.400 0.008 0.000 0.779 797 E CB 1.452 31.155 29.700 0.005 0.000 1.278 797 E HN 0.600 nan 8.360 nan 0.000 0.456 798 A N 0.598 123.429 122.820 0.018 0.000 1.978 798 A HA -0.167 4.168 4.320 0.026 0.000 0.220 798 A C 1.731 179.322 177.584 0.012 0.000 1.170 798 A CA 2.325 54.373 52.037 0.018 0.000 0.636 798 A CB -0.692 18.324 19.000 0.026 0.000 0.810 798 A HN 0.618 nan 8.150 nan 0.000 0.448 799 T N -4.411 110.149 114.554 0.010 0.000 3.086 799 T HA 0.325 4.690 4.350 0.026 0.000 0.250 799 T C 0.636 175.332 174.700 -0.007 0.000 1.074 799 T CA 0.286 62.388 62.100 0.004 0.000 0.988 799 T CB -0.049 68.823 68.868 0.006 0.000 0.988 799 T HN 0.378 nan 8.240 nan 0.000 0.530 800 R N 0.965 121.459 120.500 -0.010 0.000 3.033 800 R HA 0.319 4.675 4.340 0.026 0.000 0.236 800 R C -1.218 175.068 176.300 -0.023 0.000 1.774 800 R CA -0.608 55.479 56.100 -0.022 0.000 1.401 800 R CB 0.027 30.306 30.300 -0.035 0.000 1.539 800 R HN 0.119 nan 8.270 nan 0.000 0.618 801 I N 1.861 122.420 120.570 -0.019 0.000 2.752 801 I HA -0.006 4.179 4.170 0.026 0.000 0.287 801 I C 0.390 176.487 176.117 -0.034 0.000 1.188 801 I CA 0.261 61.549 61.300 -0.021 0.000 1.427 801 I CB 0.720 38.710 38.000 -0.016 0.000 1.365 801 I HN 0.500 nan 8.210 nan 0.000 0.585 802 D N 8.615 128.991 120.400 -0.039 0.000 2.460 802 D HA 0.327 4.982 4.640 0.026 0.000 0.232 802 D C -1.952 174.304 176.300 -0.073 0.000 1.079 802 D CA -2.186 51.782 54.000 -0.054 0.000 0.864 802 D CB 1.670 42.440 40.800 -0.050 0.000 1.048 802 D HN 0.129 nan 8.370 nan 0.000 0.523 803 P HA -0.073 nan 4.420 nan 0.000 0.225 803 P C 0.925 178.133 177.300 -0.154 0.000 1.148 803 P CA 0.624 63.665 63.100 -0.099 0.000 0.779 803 P CB 0.358 32.009 31.700 -0.083 0.000 0.780 804 N N -0.115 118.489 118.700 -0.161 0.000 2.409 804 N HA 0.006 4.761 4.740 0.026 0.000 0.179 804 N C 0.421 175.743 175.510 -0.314 0.000 1.032 804 N CA 0.134 53.047 53.050 -0.228 0.000 0.898 804 N CB -0.579 37.805 38.487 -0.171 0.000 0.971 804 N HN -0.071 nan 8.380 nan 0.000 0.441 805 A N -0.451 122.233 122.820 -0.226 0.000 2.540 805 A HA 0.015 4.350 4.320 0.026 0.000 0.239 805 A C 0.748 178.133 177.584 -0.331 0.000 1.061 805 A CA -0.263 51.645 52.037 -0.215 0.000 0.758 805 A CB -0.266 18.679 19.000 -0.091 0.000 0.991 805 A HN 0.537 nan 8.150 nan 0.000 0.502 806 W N 1.829 122.882 121.300 -0.412 0.000 2.318 806 W HA -0.198 4.477 4.660 0.025 0.000 0.313 806 W C 2.229 178.174 176.519 -0.957 0.000 1.221 806 W CA 1.852 58.690 57.345 -0.845 0.000 1.266 806 W CB -0.294 28.541 29.460 -1.042 0.000 1.150 806 W HN 0.577 nan 8.180 nan 0.000 0.496 807 V N 0.796 120.582 119.914 -0.213 0.000 2.392 807 V HA -0.260 3.876 4.120 0.026 0.000 0.249 807 V C 2.099 178.264 176.094 0.118 0.000 1.059 807 V CA 2.128 64.500 62.300 0.121 0.000 1.051 807 V CB -0.322 31.630 31.823 0.214 0.000 0.658 807 V HN 0.088 nan 8.190 nan 0.000 0.455 808 E N -0.048 120.135 120.200 -0.029 0.000 2.107 808 E HA -0.150 4.215 4.350 0.026 0.000 0.191 808 E C 2.327 178.894 176.600 -0.056 0.000 0.982 808 E CA 0.956 57.342 56.400 -0.023 0.000 0.809 808 E CB -0.275 29.390 29.700 -0.059 0.000 0.756 808 E HN 0.619 nan 8.360 nan 0.000 0.459 809 R N -0.112 120.276 120.500 -0.187 0.000 2.073 809 R HA -0.108 4.247 4.340 0.026 0.000 0.234 809 R C 2.304 178.532 176.300 -0.120 0.000 1.134 809 R CA 1.385 57.348 56.100 -0.229 0.000 0.952 809 R CB -0.178 29.864 30.300 -0.429 0.000 0.850 809 R HN 0.234 nan 8.270 nan 0.000 0.433 810 W N 1.410 122.684 121.300 -0.043 0.000 2.381 810 W HA -0.038 4.637 4.660 0.026 0.000 0.301 810 W C 1.932 178.404 176.519 -0.078 0.000 1.205 810 W CA 0.625 57.830 57.345 -0.234 0.000 1.285 810 W CB -0.694 28.756 29.460 -0.018 0.000 1.133 810 W HN 0.102 nan 8.180 nan 0.000 0.521 811 K N 0.315 120.948 120.400 0.388 0.000 2.009 811 K HA -0.143 4.192 4.320 0.026 0.000 0.210 811 K C 2.281 178.954 176.600 0.120 0.000 1.049 811 K CA 2.057 58.533 56.287 0.314 0.000 0.929 811 K CB -0.680 31.947 32.500 0.211 0.000 0.714 811 K HN -0.018 nan 8.250 nan 0.000 0.440 812 A N 1.166 124.024 122.820 0.064 0.000 1.978 812 A HA -0.155 4.181 4.320 0.026 0.000 0.220 812 A C 2.205 179.805 177.584 0.027 0.000 1.170 812 A CA 1.973 54.031 52.037 0.036 0.000 0.636 812 A CB -0.637 18.368 19.000 0.009 0.000 0.810 812 A HN 0.375 nan 8.150 nan 0.000 0.448 813 A N -2.147 120.663 122.820 -0.017 0.000 2.238 813 A HA 0.407 4.742 4.320 0.026 0.000 0.208 813 A C 1.816 179.392 177.584 -0.014 0.000 1.177 813 A CA 1.218 53.261 52.037 0.010 0.000 0.804 813 A CB -0.830 18.149 19.000 -0.035 0.000 0.823 813 A HN 1.910 nan 8.150 nan 0.000 0.482 814 G N -1.656 107.035 108.800 -0.180 0.000 2.157 814 G HA2 -0.298 3.677 3.960 0.026 0.000 0.239 814 G HA3 -0.298 3.677 3.960 0.026 0.000 0.239 814 G C 0.637 175.530 174.900 -0.011 0.000 0.982 814 G CA 0.645 45.388 45.100 -0.595 0.000 0.650 814 G HN 0.727 nan 8.290 nan 0.000 0.527 815 H N -1.287 117.775 119.070 -0.013 0.000 2.387 815 H HA -0.075 4.497 4.556 0.026 0.000 0.299 815 H C 2.183 177.482 175.328 -0.047 0.000 1.090 815 H CA 1.576 57.627 56.048 0.005 0.000 1.332 815 H CB 0.061 29.771 29.762 -0.087 0.000 1.386 815 H HN 0.597 nan 8.280 nan 0.000 0.516 816 Y N 1.037 121.453 120.300 0.194 0.000 2.561 816 Y HA -0.084 4.481 4.550 0.025 0.000 0.291 816 Y C 2.137 178.106 175.900 0.115 0.000 1.141 816 Y CA 0.446 58.620 58.100 0.123 0.000 1.303 816 Y CB 0.340 38.859 38.460 0.098 0.000 1.015 816 Y HN 0.349 nan 8.280 nan 0.000 0.547 817 Q N -0.283 119.657 119.800 0.234 0.000 2.246 817 Q HA 0.360 4.715 4.340 0.026 0.000 0.222 817 Q C 0.798 176.971 176.000 0.289 0.000 0.851 817 Q CA 0.155 56.093 55.803 0.225 0.000 0.945 817 Q CB 0.181 29.044 28.738 0.208 0.000 1.122 817 Q HN 0.215 nan 8.270 nan 0.000 0.508 818 A N 2.917 125.922 122.820 0.309 0.000 2.531 818 A HA 0.105 4.440 4.320 0.026 0.000 0.236 818 A C 0.147 178.050 177.584 0.532 0.000 1.062 818 A CA 0.043 52.346 52.037 0.443 0.000 0.760 818 A CB 0.053 19.353 19.000 0.500 0.000 0.995 818 A HN 0.384 nan 8.150 nan 0.000 0.501 819 E N 1.271 121.714 120.200 0.404 0.000 2.199 819 E HA 0.625 4.991 4.350 0.026 0.000 0.269 819 E C -0.430 176.135 176.600 -0.058 0.000 0.899 819 E CA -0.806 55.752 56.400 0.263 0.000 0.772 819 E CB 1.704 31.512 29.700 0.181 0.000 1.155 819 E HN 0.712 nan 8.360 nan 0.000 0.408 820 A N 2.308 124.953 122.820 -0.291 0.000 2.451 820 A HA 0.480 4.815 4.320 0.026 0.000 0.266 820 A C -0.033 177.399 177.584 -0.252 0.000 1.119 820 A CA 0.036 51.619 52.037 -0.756 0.000 0.786 820 A CB 0.080 18.732 19.000 -0.580 0.000 1.061 820 A HN 0.688 nan 8.150 nan 0.000 0.503 821 A N 2.852 125.514 122.820 -0.263 0.000 2.304 821 A HA 0.591 4.927 4.320 0.026 0.000 0.323 821 A C -0.402 177.095 177.584 -0.145 0.000 1.195 821 A CA -0.567 51.398 52.037 -0.120 0.000 0.826 821 A CB 0.553 19.504 19.000 -0.082 0.000 1.184 821 A HN 1.247 nan 8.150 nan 0.000 0.496 822 L N 3.105 124.226 121.223 -0.169 0.000 2.319 822 L HA 0.381 4.737 4.340 0.026 0.000 0.280 822 L C 0.299 177.023 176.870 -0.243 0.000 1.099 822 L CA 0.282 54.910 54.840 -0.355 0.000 0.828 822 L CB 0.411 42.278 42.059 -0.319 0.000 1.150 822 L HN 0.745 nan 8.230 nan 0.000 0.442 823 L N 3.723 124.794 121.223 -0.253 0.000 2.609 823 L HA 0.379 4.735 4.340 0.026 0.000 0.230 823 L C 0.322 177.122 176.870 -0.116 0.000 1.087 823 L CA -0.021 54.741 54.840 -0.130 0.000 0.874 823 L CB 0.044 42.058 42.059 -0.075 0.000 1.114 823 L HN 0.708 nan 8.230 nan 0.000 0.488 824 Q N -0.243 119.458 119.800 -0.165 0.000 2.541 824 Q HA 0.254 4.609 4.340 0.026 0.000 0.259 824 Q C -2.161 173.781 176.000 -0.096 0.000 0.974 824 Q CA -0.411 55.336 55.803 -0.093 0.000 0.955 824 Q CB 2.752 31.462 28.738 -0.047 0.000 1.517 824 Q HN 0.052 nan 8.270 nan 0.000 0.412 825 C N 3.331 122.617 119.300 -0.024 0.000 2.679 825 C HA 0.779 5.254 4.460 0.026 0.000 0.354 825 C C -0.745 174.348 174.990 0.171 0.000 1.067 825 C CA 0.347 59.397 59.018 0.053 0.000 1.317 825 C CB 0.505 28.269 27.740 0.040 0.000 1.843 825 C HN 0.778 nan 8.230 nan 0.000 0.459 826 T N 2.555 117.150 114.554 0.068 0.000 2.907 826 T HA 0.889 5.254 4.350 0.026 0.000 0.292 826 T C -0.523 173.934 174.700 -0.406 0.000 1.043 826 T CA -0.288 61.787 62.100 -0.042 0.000 1.003 826 T CB 1.925 70.762 68.868 -0.052 0.000 1.084 826 T HN 1.539 nan 8.240 nan 0.000 0.483 827 A N 2.023 124.405 122.820 -0.730 0.000 2.371 827 A HA 0.774 5.110 4.320 0.026 0.000 0.311 827 A C -0.978 176.317 177.584 -0.482 0.000 1.068 827 A CA -0.726 50.758 52.037 -0.921 0.000 0.744 827 A CB 1.204 19.098 19.000 -1.842 0.000 1.239 827 A HN 0.908 nan 8.150 nan 0.000 0.435 828 D N 0.796 120.984 120.400 -0.354 0.000 2.645 828 D HA 0.560 5.216 4.640 0.026 0.000 0.228 828 D C -0.820 175.361 176.300 -0.199 0.000 1.148 828 D CA -0.011 53.856 54.000 -0.222 0.000 0.860 828 D CB 2.373 43.079 40.800 -0.156 0.000 1.548 828 D HN 0.625 nan 8.370 nan 0.000 0.460 829 T N -0.633 113.832 114.554 -0.147 0.000 2.779 829 T HA 0.666 5.031 4.350 0.026 0.000 0.280 829 T C 0.153 174.799 174.700 -0.089 0.000 0.987 829 T CA -0.687 61.338 62.100 -0.125 0.000 0.966 829 T CB 0.795 69.595 68.868 -0.115 0.000 0.933 829 T HN 0.195 nan 8.240 nan 0.000 0.442 830 L N 2.295 123.469 121.223 -0.082 0.000 2.397 830 L HA 0.654 5.010 4.340 0.026 0.000 0.266 830 L C 2.158 179.002 176.870 -0.044 0.000 1.040 830 L CA -1.321 53.483 54.840 -0.059 0.000 0.800 830 L CB 0.347 42.372 42.059 -0.058 0.000 1.324 830 L HN 0.803 nan 8.230 nan 0.000 0.469 831 A N 0.547 123.348 122.820 -0.032 0.000 1.908 831 A HA -0.188 4.147 4.320 0.026 0.000 0.218 831 A C 1.119 178.691 177.584 -0.019 0.000 1.181 831 A CA 2.203 54.227 52.037 -0.021 0.000 0.627 831 A CB -0.509 18.481 19.000 -0.016 0.000 0.818 831 A HN 0.905 nan 8.150 nan 0.000 0.445 832 D N -2.675 117.710 120.400 -0.025 0.000 2.540 832 D HA 0.557 5.212 4.640 0.026 0.000 0.229 832 D C 0.034 176.314 176.300 -0.034 0.000 1.250 832 D CA 0.655 54.642 54.000 -0.022 0.000 0.817 832 D CB -0.212 40.576 40.800 -0.021 0.000 1.060 832 D HN 0.508 nan 8.370 nan 0.000 0.508 833 A N -0.465 122.325 122.820 -0.050 0.000 2.599 833 A HA 0.634 4.969 4.320 0.026 0.000 0.290 833 A C -1.615 175.908 177.584 -0.102 0.000 1.101 833 A CA -0.710 51.282 52.037 -0.075 0.000 0.674 833 A CB 1.558 20.514 19.000 -0.073 0.000 1.277 833 A HN -0.016 nan 8.150 nan 0.000 0.419 834 V N 0.691 120.522 119.914 -0.138 0.000 2.483 834 V HA 0.604 4.740 4.120 0.026 0.000 0.295 834 V C -0.891 175.090 176.094 -0.188 0.000 1.035 834 V CA -0.431 61.763 62.300 -0.177 0.000 0.896 834 V CB 1.382 33.085 31.823 -0.199 0.000 0.986 834 V HN 0.796 nan 8.190 nan 0.000 0.447 835 L N 6.514 127.616 121.223 -0.202 0.000 2.319 835 L HA 0.610 4.965 4.340 0.026 0.000 0.281 835 L C -0.765 175.950 176.870 -0.259 0.000 1.005 835 L CA 0.052 54.784 54.840 -0.180 0.000 0.828 835 L CB 1.118 43.099 42.059 -0.129 0.000 1.227 835 L HN 0.401 nan 8.230 nan 0.000 0.415 836 I N 4.088 124.492 120.570 -0.276 0.000 2.354 836 I HA 0.427 4.612 4.170 0.026 0.000 0.292 836 I C -0.093 175.957 176.117 -0.112 0.000 0.989 836 I CA -0.243 60.827 61.300 -0.385 0.000 1.188 836 I CB 1.573 39.071 38.000 -0.837 0.000 1.342 836 I HN 0.544 nan 8.210 nan 0.000 0.457 837 T N 4.561 119.057 114.554 -0.098 0.000 2.807 837 T HA 0.632 4.997 4.350 0.026 0.000 0.279 837 T C 0.213 174.947 174.700 0.057 0.000 0.993 837 T CA -0.602 61.508 62.100 0.018 0.000 0.970 837 T CB 1.861 70.719 68.868 -0.015 0.000 0.950 837 T HN 0.761 nan 8.240 nan 0.000 0.441 838 T N -0.693 113.949 114.554 0.147 0.000 2.901 838 T HA 0.881 5.247 4.350 0.026 0.000 0.293 838 T C -1.132 173.647 174.700 0.132 0.000 1.084 838 T CA -1.132 61.043 62.100 0.126 0.000 1.008 838 T CB 2.046 71.063 68.868 0.249 0.000 1.170 838 T HN 0.848 nan 8.240 nan 0.000 0.509 839 A N 1.458 124.279 122.820 0.001 0.000 2.465 839 A HA 0.725 5.060 4.320 0.026 0.000 0.292 839 A C -1.524 176.005 177.584 -0.092 0.000 1.041 839 A CA -0.785 51.296 52.037 0.074 0.000 0.718 839 A CB 0.831 19.859 19.000 0.047 0.000 1.266 839 A HN 0.988 nan 8.150 nan 0.000 0.403 840 H N 0.215 119.342 119.070 0.095 0.000 2.821 840 H HA 0.799 5.370 4.556 0.026 0.000 0.373 840 H C 0.011 175.352 175.328 0.021 0.000 1.165 840 H CA 0.254 56.275 56.048 -0.046 0.000 1.154 840 H CB 2.130 31.767 29.762 -0.208 0.000 1.765 840 H HN 0.991 nan 8.280 nan 0.000 0.549 841 A N 1.791 124.625 122.820 0.024 0.000 2.331 841 A HA 0.412 4.747 4.320 0.026 0.000 0.320 841 A C -1.266 176.297 177.584 -0.035 0.000 1.138 841 A CA -0.699 51.402 52.037 0.106 0.000 0.790 841 A CB 0.976 20.018 19.000 0.070 0.000 1.206 841 A HN 0.585 nan 8.150 nan 0.000 0.470 842 W N 2.362 123.779 121.300 0.196 0.000 2.349 842 W HA 0.408 5.083 4.660 0.026 0.000 0.309 842 W C -0.340 176.211 176.519 0.053 0.000 1.083 842 W CA -0.064 57.397 57.345 0.194 0.000 1.224 842 W CB 1.581 31.230 29.460 0.315 0.000 1.256 842 W HN 0.802 nan 8.180 nan 0.000 0.461 843 Q N 1.611 121.551 119.800 0.232 0.000 2.496 843 Q HA 0.478 4.834 4.340 0.026 0.000 0.286 843 Q C -0.988 175.161 176.000 0.248 0.000 1.103 843 Q CA -0.963 54.939 55.803 0.165 0.000 0.813 843 Q CB 3.503 32.294 28.738 0.088 0.000 1.444 843 Q HN 0.387 nan 8.270 nan 0.000 0.443 844 H N 1.030 120.144 119.070 0.073 0.000 3.224 844 H HA 0.076 4.647 4.556 0.026 0.000 0.331 844 H C -1.000 174.365 175.328 0.061 0.000 1.002 844 H CA -0.108 55.992 56.048 0.087 0.000 1.473 844 H CB 0.963 30.791 29.762 0.110 0.000 1.830 844 H HN 0.835 nan 8.280 nan 0.000 0.485 845 Q N 3.184 122.797 119.800 -0.311 0.000 2.443 845 Q HA -0.263 4.092 4.340 0.026 0.000 0.337 845 Q C 0.980 176.934 176.000 -0.078 0.000 1.401 845 Q CA 1.080 56.744 55.803 -0.233 0.000 0.943 845 Q CB -1.348 27.173 28.738 -0.361 0.000 1.177 845 Q HN 1.189 nan 8.270 nan 0.000 0.394 846 G N -0.376 108.402 108.800 -0.036 0.000 2.299 846 G HA2 -0.374 3.601 3.960 0.026 0.000 0.237 846 G HA3 -0.374 3.601 3.960 0.026 0.000 0.237 846 G C 0.114 175.020 174.900 0.011 0.000 1.027 846 G CA 0.462 45.557 45.100 -0.008 0.000 0.619 846 G HN 0.440 nan 8.290 nan 0.000 0.513 847 K N 1.504 121.920 120.400 0.027 0.000 2.156 847 K HA 0.651 4.987 4.320 0.026 0.000 0.271 847 K C -0.211 176.402 176.600 0.022 0.000 0.995 847 K CA -0.006 56.298 56.287 0.028 0.000 0.890 847 K CB 1.082 33.606 32.500 0.041 0.000 1.073 847 K HN 0.001 nan 8.250 nan 0.000 0.454 848 T N 5.791 120.347 114.554 0.003 0.000 2.727 848 T HA 0.217 4.583 4.350 0.026 0.000 0.298 848 T C 1.063 175.698 174.700 -0.107 0.000 0.942 848 T CA -0.434 61.660 62.100 -0.010 0.000 0.997 848 T CB 0.360 69.240 68.868 0.018 0.000 0.917 848 T HN 0.555 nan 8.240 nan 0.000 0.487 849 L N 2.674 123.734 121.223 -0.272 0.000 2.084 849 L HA 0.282 4.637 4.340 0.026 0.000 0.202 849 L C -0.047 176.239 176.870 -0.973 0.000 1.074 849 L CA 1.076 55.455 54.840 -0.768 0.000 0.757 849 L CB 0.004 41.275 42.059 -1.313 0.000 0.918 849 L HN 0.536 nan 8.230 nan 0.000 0.444 850 F N -1.233 118.683 119.950 -0.058 0.000 2.601 850 F HA 0.572 5.114 4.527 0.025 0.000 0.309 850 F C -0.491 175.421 175.800 0.186 0.000 1.089 850 F CA -0.822 57.093 58.000 -0.140 0.000 0.940 850 F CB 1.827 40.350 39.000 -0.795 0.000 1.273 850 F HN -0.312 nan 8.300 nan 0.000 0.450 851 I N 1.653 122.450 120.570 0.379 0.000 2.466 851 I HA 0.387 4.572 4.170 0.026 0.000 0.289 851 I C -0.825 175.553 176.117 0.435 0.000 1.026 851 I CA -0.536 61.000 61.300 0.394 0.000 1.078 851 I CB 2.176 40.321 38.000 0.243 0.000 1.249 851 I HN 0.570 nan 8.210 nan 0.000 0.429 852 S N 6.908 122.951 115.700 0.571 0.000 2.596 852 S HA 0.565 5.050 4.470 0.026 0.000 0.318 852 S C -0.713 174.133 174.600 0.410 0.000 1.097 852 S CA -0.677 57.839 58.200 0.526 0.000 1.080 852 S CB 0.734 64.382 63.200 0.747 0.000 0.991 852 S HN 0.558 nan 8.310 nan 0.000 0.471 853 R N 3.500 124.166 120.500 0.277 0.000 2.387 853 R HA 0.582 4.938 4.340 0.026 0.000 0.314 853 R C -0.750 175.636 176.300 0.143 0.000 0.958 853 R CA -0.750 55.472 56.100 0.204 0.000 0.846 853 R CB 1.785 32.177 30.300 0.152 0.000 1.147 853 R HN 0.565 nan 8.270 nan 0.000 0.447 854 K N 0.725 121.207 120.400 0.137 0.000 2.480 854 K HA 0.451 4.786 4.320 0.026 0.000 0.258 854 K C -0.881 175.734 176.600 0.025 0.000 0.990 854 K CA -0.952 55.345 56.287 0.016 0.000 0.857 854 K CB 2.526 35.010 32.500 -0.027 0.000 1.384 854 K HN 0.617 nan 8.250 nan 0.000 0.446 855 T N -1.376 113.123 114.554 -0.091 0.000 2.886 855 T HA 0.561 4.926 4.350 0.026 0.000 0.292 855 T C -1.255 173.362 174.700 -0.138 0.000 1.012 855 T CA -0.746 61.340 62.100 -0.023 0.000 0.982 855 T CB 0.466 69.325 68.868 -0.014 0.000 1.018 855 T HN 0.381 nan 8.240 nan 0.000 0.451 856 Y N 1.006 121.284 120.300 -0.036 0.000 2.350 856 Y HA 0.675 5.240 4.550 0.026 0.000 0.338 856 Y C 0.448 176.287 175.900 -0.103 0.000 0.961 856 Y CA -1.211 56.886 58.100 -0.005 0.000 1.100 856 Y CB 1.970 40.471 38.460 0.068 0.000 1.179 856 Y HN 0.703 nan 8.280 nan 0.000 0.454 857 R N 4.214 124.745 120.500 0.051 0.000 2.451 857 R HA 0.653 5.009 4.340 0.026 0.000 0.307 857 R C -1.809 174.440 176.300 -0.085 0.000 0.965 857 R CA -0.453 55.623 56.100 -0.039 0.000 0.865 857 R CB 0.724 31.008 30.300 -0.026 0.000 1.174 857 R HN 0.795 nan 8.270 nan 0.000 0.455 858 I N 5.009 125.472 120.570 -0.178 0.000 2.330 858 I HA 0.224 4.409 4.170 0.026 0.000 0.289 858 I C -0.189 175.816 176.117 -0.186 0.000 1.001 858 I CA -0.734 60.391 61.300 -0.293 0.000 1.193 858 I CB 1.436 39.072 38.000 -0.608 0.000 1.345 858 I HN 0.676 nan 8.210 nan 0.000 0.461 859 D N 4.230 124.559 120.400 -0.118 0.000 2.564 859 D HA 0.270 4.926 4.640 0.026 0.000 0.273 859 D C 1.361 177.642 176.300 -0.032 0.000 1.192 859 D CA -0.665 53.299 54.000 -0.059 0.000 1.080 859 D CB 0.479 41.262 40.800 -0.028 0.000 1.160 859 D HN 0.445 nan 8.370 nan 0.000 0.607 860 G N -1.277 107.517 108.800 -0.010 0.000 2.470 860 G HA2 -0.188 3.788 3.960 0.026 0.000 0.220 860 G HA3 -0.188 3.788 3.960 0.026 0.000 0.220 860 G C 1.127 176.050 174.900 0.038 0.000 1.121 860 G CA 1.022 46.131 45.100 0.015 0.000 0.766 860 G HN 0.517 nan 8.290 nan 0.000 0.553 861 S N -0.670 115.050 115.700 0.033 0.000 2.593 861 S HA 0.382 4.867 4.470 0.026 0.000 0.217 861 S C 1.697 176.359 174.600 0.103 0.000 0.966 861 S CA 0.760 58.995 58.200 0.059 0.000 0.914 861 S CB 0.089 63.316 63.200 0.045 0.000 0.776 861 S HN 1.422 nan 8.310 nan 0.000 0.523 862 G N 0.728 109.599 108.800 0.118 0.000 2.137 862 G HA2 -0.240 3.735 3.960 0.026 0.000 0.237 862 G HA3 -0.240 3.735 3.960 0.026 0.000 0.237 862 G C -0.273 174.767 174.900 0.233 0.000 1.002 862 G CA -0.079 45.167 45.100 0.243 0.000 0.702 862 G HN 0.580 nan 8.290 nan 0.000 0.515 863 Q N -0.718 119.151 119.800 0.115 0.000 2.245 863 Q HA 0.676 5.031 4.340 0.026 0.000 0.256 863 Q C 0.137 176.174 176.000 0.063 0.000 0.942 863 Q CA -0.517 55.365 55.803 0.132 0.000 0.896 863 Q CB 1.604 30.403 28.738 0.101 0.000 1.272 863 Q HN 0.421 nan 8.270 nan 0.000 0.442 864 M N 2.150 121.831 119.600 0.135 0.000 2.114 864 M HA 0.543 5.038 4.480 0.026 0.000 0.332 864 M C -1.476 174.932 176.300 0.180 0.000 1.014 864 M CA -0.487 54.862 55.300 0.082 0.000 0.956 864 M CB 1.036 33.715 32.600 0.130 0.000 1.551 864 M HN 0.691 nan 8.290 nan 0.000 0.427 865 A N 6.794 129.681 122.820 0.112 0.000 2.276 865 A HA 0.716 5.052 4.320 0.026 0.000 0.316 865 A C -0.855 176.764 177.584 0.059 0.000 1.229 865 A CA -0.636 51.465 52.037 0.107 0.000 0.851 865 A CB 0.282 19.323 19.000 0.068 0.000 1.165 865 A HN 0.918 nan 8.150 nan 0.000 0.513 866 I N 2.413 123.005 120.570 0.036 0.000 2.362 866 I HA 0.316 4.501 4.170 0.026 0.000 0.289 866 I C -0.152 175.853 176.117 -0.187 0.000 0.994 866 I CA -0.195 61.015 61.300 -0.149 0.000 1.158 866 I CB 2.105 40.032 38.000 -0.122 0.000 1.315 866 I HN 0.510 nan 8.210 nan 0.000 0.451 867 T N 5.826 120.235 114.554 -0.242 0.000 2.794 867 T HA 0.585 4.950 4.350 0.026 0.000 0.280 867 T C -0.297 174.199 174.700 -0.340 0.000 0.987 867 T CA -0.498 61.457 62.100 -0.243 0.000 0.993 867 T CB 1.799 70.626 68.868 -0.068 0.000 0.939 867 T HN 0.228 nan 8.240 nan 0.000 0.449 868 V N 3.590 123.170 119.914 -0.556 0.000 2.577 868 V HA 0.449 4.584 4.120 0.026 0.000 0.303 868 V C -0.846 175.063 176.094 -0.310 0.000 1.042 868 V CA -0.938 61.070 62.300 -0.488 0.000 0.872 868 V CB 2.070 33.341 31.823 -0.920 0.000 0.998 868 V HN 0.878 nan 8.190 nan 0.000 0.423 869 D N 3.562 123.957 120.400 -0.008 0.000 2.481 869 D HA 0.513 5.168 4.640 0.026 0.000 0.246 869 D C -1.013 175.409 176.300 0.204 0.000 1.109 869 D CA -0.170 53.925 54.000 0.158 0.000 0.845 869 D CB 2.918 43.840 40.800 0.202 0.000 1.160 869 D HN 0.256 nan 8.370 nan 0.000 0.534 870 V N 2.420 122.492 119.914 0.264 0.000 2.581 870 V HA 0.265 4.401 4.120 0.026 0.000 0.303 870 V C 0.063 176.303 176.094 0.244 0.000 1.041 870 V CA -0.658 61.814 62.300 0.287 0.000 0.907 870 V CB 2.355 34.388 31.823 0.350 0.000 0.994 870 V HN 0.383 nan 8.190 nan 0.000 0.442 871 E N 2.731 123.061 120.200 0.216 0.000 2.171 871 E HA 0.610 4.975 4.350 0.026 0.000 0.271 871 E C -1.497 175.217 176.600 0.189 0.000 0.916 871 E CA -0.584 55.920 56.400 0.174 0.000 0.774 871 E CB 2.551 32.335 29.700 0.140 0.000 1.128 871 E HN 0.396 nan 8.360 nan 0.000 0.403 872 V N 2.137 122.165 119.914 0.191 0.000 2.448 872 V HA 0.367 4.503 4.120 0.026 0.000 0.295 872 V C 0.116 176.300 176.094 0.151 0.000 1.025 872 V CA -0.934 61.503 62.300 0.228 0.000 0.859 872 V CB 1.517 33.506 31.823 0.277 0.000 0.988 872 V HN 0.842 nan 8.190 nan 0.000 0.431 873 A N 3.525 126.389 122.820 0.074 0.000 2.567 873 A HA 0.234 4.570 4.320 0.026 0.000 0.240 873 A C 1.591 179.246 177.584 0.119 0.000 1.053 873 A CA 0.624 52.697 52.037 0.061 0.000 0.755 873 A CB 0.175 19.177 19.000 0.003 0.000 0.978 873 A HN 1.366 nan 8.150 nan 0.000 0.507 874 S N 1.191 116.958 115.700 0.110 0.000 2.469 874 S HA -0.146 4.340 4.470 0.026 0.000 0.238 874 S C 0.803 175.486 174.600 0.140 0.000 0.998 874 S CA 1.236 59.521 58.200 0.142 0.000 0.957 874 S CB -0.238 63.023 63.200 0.101 0.000 0.764 874 S HN 0.837 nan 8.310 nan 0.000 0.514 875 D N 0.134 120.592 120.400 0.097 0.000 2.363 875 D HA 0.151 4.806 4.640 0.026 0.000 0.214 875 D C 0.399 176.743 176.300 0.073 0.000 1.093 875 D CA -0.076 53.966 54.000 0.070 0.000 0.837 875 D CB -0.222 40.605 40.800 0.044 0.000 0.948 875 D HN 0.289 nan 8.370 nan 0.000 0.507 876 T N 1.167 115.792 114.554 0.118 0.000 2.929 876 T HA 0.445 4.810 4.350 0.026 0.000 0.284 876 T C -2.644 172.181 174.700 0.208 0.000 1.014 876 T CA -2.006 60.190 62.100 0.160 0.000 1.051 876 T CB 1.226 70.205 68.868 0.186 0.000 1.028 876 T HN -0.183 nan 8.240 nan 0.000 0.485 877 P HA 0.077 nan 4.420 nan 0.000 0.265 877 P C -0.627 176.984 177.300 0.518 0.000 1.187 877 P CA 0.142 63.352 63.100 0.184 0.000 0.766 877 P CB -0.115 31.671 31.700 0.143 0.000 0.820 878 H N 3.410 122.861 119.070 0.636 0.000 3.034 878 H HA 0.072 4.644 4.556 0.025 0.000 0.324 878 H C -1.590 174.089 175.328 0.585 0.000 1.015 878 H CA -1.294 55.064 56.048 0.516 0.000 1.429 878 H CB -0.587 29.397 29.762 0.371 0.000 1.429 878 H HN 0.390 nan 8.280 nan 0.000 0.585 879 P HA 0.010 nan 4.420 nan 0.000 0.274 879 P C 0.077 177.234 177.300 -0.238 0.000 1.237 879 P CA -0.304 62.815 63.100 0.032 0.000 0.793 879 P CB 1.049 32.606 31.700 -0.237 0.000 0.977 880 A N 2.897 125.285 122.820 -0.719 0.000 2.066 880 A HA -0.044 4.291 4.320 0.026 0.000 0.218 880 A C 0.983 178.152 177.584 -0.692 0.000 1.157 880 A CA 1.132 52.719 52.037 -0.750 0.000 0.670 880 A CB -0.510 17.849 19.000 -1.068 0.000 0.804 880 A HN 0.741 nan 8.150 nan 0.000 0.453 881 R N -2.771 117.372 120.500 -0.597 0.000 2.728 881 R HA 0.686 5.042 4.340 0.026 0.000 0.274 881 R C -1.728 174.337 176.300 -0.393 0.000 1.032 881 R CA -0.800 54.976 56.100 -0.540 0.000 0.866 881 R CB 0.653 30.595 30.300 -0.598 0.000 1.263 881 R HN -0.021 nan 8.270 nan 0.000 0.475 882 I N 1.250 121.634 120.570 -0.310 0.000 2.521 882 I HA 0.643 4.828 4.170 0.026 0.000 0.277 882 I C -0.360 175.553 176.117 -0.340 0.000 1.054 882 I CA -0.332 60.832 61.300 -0.226 0.000 1.117 882 I CB 1.787 39.715 38.000 -0.120 0.000 1.217 882 I HN 0.940 nan 8.210 nan 0.000 0.469 883 G N 5.640 114.174 108.800 -0.443 0.000 2.706 883 G HA2 0.764 4.739 3.960 0.026 0.000 0.307 883 G HA3 0.764 4.739 3.960 0.026 0.000 0.307 883 G C -1.660 173.053 174.900 -0.312 0.000 1.307 883 G CA -0.589 44.269 45.100 -0.403 0.000 0.790 883 G HN 0.240 nan 8.290 nan 0.000 0.503 884 L N 1.035 122.123 121.223 -0.225 0.000 2.323 884 L HA 0.621 4.976 4.340 0.026 0.000 0.265 884 L C -0.692 176.059 176.870 -0.198 0.000 1.012 884 L CA -1.120 53.620 54.840 -0.166 0.000 0.820 884 L CB 2.422 44.464 42.059 -0.028 0.000 1.334 884 L HN 0.806 nan 8.230 nan 0.000 0.427 885 N N 0.861 119.474 118.700 -0.145 0.000 2.396 885 N HA 0.682 5.438 4.740 0.026 0.000 0.275 885 N C -1.312 174.197 175.510 -0.003 0.000 1.218 885 N CA -0.530 52.472 53.050 -0.080 0.000 0.812 885 N CB 2.513 40.970 38.487 -0.050 0.000 1.592 885 N HN 0.800 nan 8.380 nan 0.000 0.480 886 C N -1.313 118.004 119.300 0.029 0.000 3.307 886 C HA 0.539 5.014 4.460 0.026 0.000 0.333 886 C C -1.081 173.736 174.990 -0.288 0.000 1.291 886 C CA -0.850 58.138 59.018 -0.051 0.000 1.273 886 C CB 1.116 28.848 27.740 -0.014 0.000 1.580 886 C HN 0.856 nan 8.230 nan 0.000 0.481 887 Q N 1.315 120.734 119.800 -0.635 0.000 2.347 887 Q HA 0.666 5.021 4.340 0.026 0.000 0.262 887 Q C -1.083 174.621 176.000 -0.494 0.000 0.980 887 Q CA -0.424 54.747 55.803 -1.055 0.000 0.867 887 Q CB 0.952 28.753 28.738 -1.563 0.000 1.242 887 Q HN 0.771 nan 8.270 nan 0.000 0.453 888 L N 2.523 123.553 121.223 -0.322 0.000 2.395 888 L HA 0.298 4.654 4.340 0.026 0.000 0.269 888 L C 1.158 177.961 176.870 -0.112 0.000 1.133 888 L CA -0.224 54.555 54.840 -0.102 0.000 0.812 888 L CB 0.963 43.078 42.059 0.094 0.000 1.125 888 L HN 0.823 nan 8.230 nan 0.000 0.452 889 A N 2.159 124.941 122.820 -0.065 0.000 1.968 889 A HA -0.108 4.227 4.320 0.026 0.000 0.217 889 A C 1.062 178.630 177.584 -0.026 0.000 1.169 889 A CA 0.736 52.729 52.037 -0.074 0.000 0.638 889 A CB -0.242 18.705 19.000 -0.087 0.000 0.812 889 A HN 0.805 nan 8.150 nan 0.000 0.446 890 Q N -0.475 119.346 119.800 0.035 0.000 2.260 890 Q HA 0.499 4.855 4.340 0.026 0.000 0.238 890 Q C -1.329 174.718 176.000 0.078 0.000 0.948 890 Q CA -0.248 55.569 55.803 0.023 0.000 0.895 890 Q CB 1.259 29.997 28.738 0.000 0.000 1.218 890 Q HN 0.103 nan 8.270 nan 0.000 0.470 891 V N 2.643 122.567 119.914 0.016 0.000 2.409 891 V HA 0.727 4.862 4.120 0.026 0.000 0.290 891 V C -0.678 175.387 176.094 -0.048 0.000 1.017 891 V CA -0.412 61.938 62.300 0.083 0.000 0.841 891 V CB 0.892 32.740 31.823 0.041 0.000 1.003 891 V HN 0.892 nan 8.190 nan 0.000 0.426 892 A N 3.243 125.955 122.820 -0.180 0.000 2.299 892 A HA 0.738 5.074 4.320 0.026 0.000 0.332 892 A C 0.732 178.305 177.584 -0.018 0.000 1.131 892 A CA -0.505 51.360 52.037 -0.287 0.000 0.844 892 A CB 1.040 19.607 19.000 -0.723 0.000 1.251 892 A HN 0.825 nan 8.150 nan 0.000 0.486 893 E N 0.172 120.363 120.200 -0.014 0.000 2.158 893 E HA -0.031 4.334 4.350 0.026 0.000 0.191 893 E C 0.142 176.811 176.600 0.115 0.000 0.982 893 E CA 0.637 57.070 56.400 0.055 0.000 0.823 893 E CB 0.084 29.800 29.700 0.027 0.000 0.766 893 E HN 0.440 nan 8.360 nan 0.000 0.468 894 R N 0.474 121.049 120.500 0.126 0.000 2.892 894 R HA 0.576 4.931 4.340 0.026 0.000 0.265 894 R C -0.744 175.733 176.300 0.295 0.000 1.025 894 R CA -0.895 55.314 56.100 0.181 0.000 0.982 894 R CB 1.800 32.179 30.300 0.131 0.000 1.185 894 R HN -0.160 nan 8.270 nan 0.000 0.484 895 V N 1.763 121.865 119.914 0.313 0.000 2.577 895 V HA 0.368 4.503 4.120 0.026 0.000 0.303 895 V C -0.451 175.907 176.094 0.441 0.000 1.042 895 V CA -0.915 61.612 62.300 0.378 0.000 0.872 895 V CB 2.007 34.005 31.823 0.291 0.000 0.998 895 V HN 0.691 nan 8.190 nan 0.000 0.423 896 N N 4.488 123.430 118.700 0.403 0.000 2.346 896 N HA 0.511 5.267 4.740 0.026 0.000 0.289 896 N C -1.410 174.359 175.510 0.432 0.000 1.027 896 N CA -0.455 52.808 53.050 0.355 0.000 0.864 896 N CB 2.615 41.200 38.487 0.163 0.000 1.370 896 N HN 0.811 nan 8.380 nan 0.000 0.481 897 W N 3.247 124.601 121.300 0.089 0.000 3.167 897 W HA 0.595 5.270 4.660 0.025 0.000 0.324 897 W C -1.997 174.512 176.519 -0.018 0.000 1.230 897 W CA -1.145 56.233 57.345 0.054 0.000 1.184 897 W CB 0.782 30.312 29.460 0.117 0.000 1.414 897 W HN 0.229 nan 8.180 nan 0.000 0.551 898 L N 4.394 125.586 121.223 -0.052 0.000 2.283 898 L HA 0.895 5.251 4.340 0.026 0.000 0.281 898 L C 0.013 176.741 176.870 -0.238 0.000 1.033 898 L CA 0.349 54.977 54.840 -0.353 0.000 0.848 898 L CB 0.479 42.410 42.059 -0.214 0.000 1.226 898 L HN 0.956 nan 8.230 nan 0.000 0.429 899 G N 3.658 112.222 108.800 -0.393 0.000 2.348 899 G HA2 0.239 4.214 3.960 0.026 0.000 0.296 899 G HA3 0.239 4.214 3.960 0.026 0.000 0.296 899 G C -1.638 173.339 174.900 0.128 0.000 1.258 899 G CA -1.021 44.102 45.100 0.039 0.000 0.868 899 G HN 0.411 nan 8.290 nan 0.000 0.488 900 L N 0.877 122.288 121.223 0.312 0.000 2.380 900 L HA 0.657 5.012 4.340 0.026 0.000 0.273 900 L C 1.059 178.051 176.870 0.204 0.000 1.138 900 L CA 0.651 55.628 54.840 0.229 0.000 0.832 900 L CB 0.805 42.944 42.059 0.133 0.000 1.124 900 L HN 1.197 nan 8.230 nan 0.000 0.454 901 G N 2.298 110.991 108.800 -0.179 0.000 2.348 901 G HA2 0.234 4.210 3.960 0.026 0.000 0.296 901 G HA3 0.234 4.210 3.960 0.026 0.000 0.296 901 G C -2.759 171.385 174.900 -1.260 0.000 1.258 901 G CA -0.261 44.437 45.100 -0.671 0.000 0.868 901 G HN 0.311 nan 8.290 nan 0.000 0.488 902 P HA 0.094 nan 4.420 nan 0.000 0.235 902 P C 0.451 177.574 177.300 -0.294 0.000 1.177 902 P CA 0.560 63.034 63.100 -1.043 0.000 0.785 902 P CB 0.438 31.615 31.700 -0.872 0.000 0.885 903 Q N 0.588 120.204 119.800 -0.307 0.000 2.396 903 Q HA 0.129 4.484 4.340 0.026 0.000 0.221 903 Q C 0.452 176.347 176.000 -0.174 0.000 1.025 903 Q CA -0.525 55.171 55.803 -0.179 0.000 0.946 903 Q CB 0.681 29.333 28.738 -0.144 0.000 1.224 903 Q HN 0.156 nan 8.270 nan 0.000 0.539 904 E N 1.339 121.441 120.200 -0.164 0.000 2.502 904 E HA -0.101 4.264 4.350 0.026 0.000 0.261 904 E C -1.144 175.371 176.600 -0.142 0.000 0.974 904 E CA 0.258 56.542 56.400 -0.194 0.000 0.936 904 E CB 0.263 29.912 29.700 -0.084 0.000 0.926 904 E HN 0.609 nan 8.360 nan 0.000 0.459 905 N N 2.691 121.237 118.700 -0.257 0.000 2.371 905 N HA 0.288 5.043 4.740 0.026 0.000 0.280 905 N C -1.855 173.463 175.510 -0.320 0.000 1.084 905 N CA -0.674 52.284 53.050 -0.153 0.000 0.892 905 N CB 0.703 39.120 38.487 -0.118 0.000 1.653 905 N HN 0.228 nan 8.380 nan 0.000 0.480 906 Y N 0.501 120.707 120.300 -0.157 0.000 2.621 906 Y HA 0.512 5.077 4.550 0.026 0.000 0.334 906 Y C -1.551 174.268 175.900 -0.134 0.000 1.074 906 Y CA -2.078 55.916 58.100 -0.177 0.000 1.149 906 Y CB 1.586 39.937 38.460 -0.182 0.000 1.302 906 Y HN 0.439 nan 8.280 nan 0.000 0.501 907 P HA -0.184 nan 4.420 nan 0.000 0.215 907 P C 0.459 177.596 177.300 -0.272 0.000 1.157 907 P CA 2.177 65.300 63.100 0.038 0.000 0.874 907 P CB 0.168 32.019 31.700 0.251 0.000 0.790 908 D N -2.065 117.956 120.400 -0.631 0.000 2.325 908 D HA -0.022 4.633 4.640 0.026 0.000 0.225 908 D C 0.690 176.830 176.300 -0.267 0.000 1.096 908 D CA 0.154 53.613 54.000 -0.902 0.000 0.844 908 D CB -0.352 39.726 40.800 -1.204 0.000 0.925 908 D HN 0.130 nan 8.370 nan 0.000 0.513 909 R N 0.932 121.373 120.500 -0.098 0.000 2.684 909 R HA 0.198 4.553 4.340 0.026 0.000 0.252 909 R C -0.594 175.732 176.300 0.042 0.000 1.628 909 R CA -0.183 55.924 56.100 0.012 0.000 1.622 909 R CB 0.050 30.364 30.300 0.023 0.000 1.418 909 R HN 0.116 nan 8.270 nan 0.000 0.697 910 L N -1.729 119.526 121.223 0.054 0.000 3.386 910 L HA 0.332 4.687 4.340 0.026 0.000 0.307 910 L C 1.359 178.288 176.870 0.098 0.000 1.235 910 L CA 0.187 55.061 54.840 0.058 0.000 1.056 910 L CB 0.102 42.186 42.059 0.041 0.000 1.453 910 L HN 0.102 nan 8.230 nan 0.000 0.615 911 T N -2.285 112.353 114.554 0.140 0.000 2.833 911 T HA -0.059 4.306 4.350 0.026 0.000 0.269 911 T C 1.732 176.494 174.700 0.104 0.000 1.054 911 T CA 1.473 63.687 62.100 0.190 0.000 1.135 911 T CB -0.406 68.627 68.868 0.274 0.000 0.869 911 T HN 0.415 nan 8.240 nan 0.000 0.466 912 A N 1.360 124.231 122.820 0.086 0.000 2.169 912 A HA 0.689 5.025 4.320 0.026 0.000 0.212 912 A C 1.545 179.212 177.584 0.138 0.000 1.153 912 A CA 0.391 52.414 52.037 -0.022 0.000 0.756 912 A CB -0.786 18.344 19.000 0.217 0.000 0.813 912 A HN 0.835 nan 8.150 nan 0.000 0.471 913 A N -1.187 121.671 122.820 0.063 0.000 2.332 913 A HA 0.485 4.821 4.320 0.026 0.000 0.258 913 A C -0.053 177.567 177.584 0.061 0.000 1.087 913 A CA -0.117 51.924 52.037 0.006 0.000 0.802 913 A CB 0.044 19.034 19.000 -0.017 0.000 1.042 913 A HN 0.445 nan 8.150 nan 0.000 0.489 914 C N 0.145 119.475 119.300 0.050 0.000 2.561 914 C HA 0.558 5.033 4.460 0.026 0.000 0.319 914 C C -0.282 174.803 174.990 0.158 0.000 1.198 914 C CA -0.492 58.608 59.018 0.136 0.000 1.665 914 C CB 0.959 28.801 27.740 0.170 0.000 2.258 914 C HN 0.785 nan 8.230 nan 0.000 0.493 915 F N 3.870 123.654 119.950 -0.277 0.000 2.444 915 F HA 0.497 5.039 4.527 0.025 0.000 0.360 915 F C 0.339 175.769 175.800 -0.616 0.000 1.106 915 F CA 1.114 58.760 58.000 -0.590 0.000 1.170 915 F CB -0.034 37.995 39.000 -1.618 0.000 1.113 915 F HN 0.624 nan 8.300 nan 0.000 0.521 916 D N 3.335 123.057 120.400 -1.130 0.000 2.879 916 D HA 0.170 4.826 4.640 0.026 0.000 0.346 916 D C -1.649 173.761 176.300 -1.484 0.000 1.390 916 D CA -0.721 52.536 54.000 -1.237 0.000 0.838 916 D CB 1.459 41.559 40.800 -1.167 0.000 1.416 916 D HN 0.483 nan 8.370 nan 0.000 0.493 917 R N 0.737 120.452 120.500 -1.308 0.000 2.207 917 R HA 0.514 4.869 4.340 0.026 0.000 0.334 917 R C -1.379 174.194 176.300 -1.212 0.000 1.013 917 R CA -0.216 55.273 56.100 -1.018 0.000 0.858 917 R CB 0.207 30.155 30.300 -0.586 0.000 1.094 917 R HN 0.267 nan 8.270 nan 0.000 0.457 918 W N 2.314 123.109 121.300 -0.842 0.000 2.647 918 W HA 0.450 5.125 4.660 0.026 0.000 0.353 918 W C -0.426 175.753 176.519 -0.567 0.000 1.080 918 W CA -0.589 56.242 57.345 -0.856 0.000 1.208 918 W CB 1.603 30.097 29.460 -1.611 0.000 1.396 918 W HN 0.390 nan 8.180 nan 0.000 0.573 919 D N 1.975 122.364 120.400 -0.018 0.000 2.763 919 D HA 0.459 5.114 4.640 0.026 0.000 0.235 919 D C -1.542 174.867 176.300 0.182 0.000 1.334 919 D CA -0.152 53.914 54.000 0.110 0.000 0.950 919 D CB 1.127 41.950 40.800 0.037 0.000 1.433 919 D HN 0.381 nan 8.370 nan 0.000 0.580 920 L N 2.724 124.124 121.223 0.296 0.000 2.359 920 L HA 0.547 4.903 4.340 0.026 0.000 0.256 920 L C -2.374 174.614 176.870 0.197 0.000 1.026 920 L CA -2.263 52.715 54.840 0.228 0.000 0.828 920 L CB 2.650 44.867 42.059 0.264 0.000 1.406 920 L HN 0.182 nan 8.230 nan 0.000 0.413 921 P HA 0.019 nan 4.420 nan 0.000 0.268 921 P C 0.513 177.890 177.300 0.129 0.000 1.205 921 P CA -0.228 62.942 63.100 0.118 0.000 0.771 921 P CB 0.747 32.497 31.700 0.084 0.000 0.858 922 L N 4.063 125.369 121.223 0.138 0.000 2.013 922 L HA -0.279 4.077 4.340 0.026 0.000 0.212 922 L C 2.229 179.148 176.870 0.082 0.000 1.073 922 L CA 2.810 57.723 54.840 0.121 0.000 0.753 922 L CB -1.514 40.636 42.059 0.152 0.000 0.890 922 L HN 0.451 nan 8.230 nan 0.000 0.432 923 S N -1.631 114.118 115.700 0.081 0.000 2.420 923 S HA -0.211 4.274 4.470 0.026 0.000 0.237 923 S C 1.581 176.256 174.600 0.125 0.000 1.023 923 S CA 1.325 59.587 58.200 0.104 0.000 0.991 923 S CB -0.884 62.373 63.200 0.096 0.000 0.792 923 S HN 0.566 nan 8.310 nan 0.000 0.488 924 D N 0.964 121.414 120.400 0.084 0.000 2.363 924 D HA 0.121 4.776 4.640 0.026 0.000 0.226 924 D C 1.112 177.422 176.300 0.017 0.000 1.020 924 D CA 0.516 54.545 54.000 0.048 0.000 0.892 924 D CB -0.129 40.703 40.800 0.052 0.000 0.900 924 D HN 0.396 nan 8.370 nan 0.000 0.531 925 M N -0.285 119.334 119.600 0.030 0.000 2.568 925 M HA 0.065 4.560 4.480 0.026 0.000 0.226 925 M C -0.171 176.133 176.300 0.007 0.000 1.148 925 M CA -0.020 55.252 55.300 -0.048 0.000 1.007 925 M CB -0.767 31.794 32.600 -0.066 0.000 1.651 925 M HN -0.041 nan 8.290 nan 0.000 0.488 926 Y N -0.000 120.265 120.300 -0.059 0.000 2.361 926 Y HA 0.492 5.058 4.550 0.026 0.000 0.337 926 Y C -0.803 175.072 175.900 -0.041 0.000 0.965 926 Y CA -1.089 57.002 58.100 -0.016 0.000 1.091 926 Y CB 1.254 39.756 38.460 0.070 0.000 1.182 926 Y HN -0.123 nan 8.280 nan 0.000 0.450 927 T N 9.151 123.293 114.554 -0.687 0.000 2.749 927 T HA 0.285 4.650 4.350 0.026 0.000 0.287 927 T C -2.619 171.394 174.700 -1.146 0.000 0.970 927 T CA -1.486 60.139 62.100 -0.793 0.000 0.980 927 T CB 1.092 69.553 68.868 -0.679 0.000 0.924 927 T HN 0.469 nan 8.240 nan 0.000 0.456 928 P HA 0.115 nan 4.420 nan 0.000 0.225 928 P C -0.640 176.632 177.300 -0.047 0.000 1.768 928 P CA -0.437 62.319 63.100 -0.573 0.000 0.943 928 P CB -0.747 30.737 31.700 -0.359 0.000 1.936 929 Y N -0.393 119.946 120.300 0.066 0.000 2.712 929 Y HA -0.106 4.459 4.550 0.026 0.000 0.333 929 Y C 2.292 178.299 175.900 0.179 0.000 1.225 929 Y CA -0.427 57.769 58.100 0.160 0.000 1.499 929 Y CB 0.415 38.853 38.460 -0.037 0.000 1.288 929 Y HN -0.094 nan 8.280 nan 0.000 0.575 930 V N 3.554 123.735 119.914 0.445 0.000 2.332 930 V HA -0.311 3.825 4.120 0.026 0.000 0.248 930 V C 0.579 176.832 176.094 0.265 0.000 1.055 930 V CA 1.466 63.974 62.300 0.346 0.000 1.038 930 V CB -0.538 31.512 31.823 0.379 0.000 0.651 930 V HN 0.596 nan 8.190 nan 0.000 0.450 931 F N 3.203 123.191 119.950 0.064 0.000 2.350 931 F HA 0.509 5.051 4.527 0.026 0.000 0.365 931 F C -2.468 173.335 175.800 0.005 0.000 1.122 931 F CA -3.556 54.419 58.000 -0.042 0.000 1.139 931 F CB 0.663 39.516 39.000 -0.245 0.000 1.220 931 F HN 0.001 nan 8.300 nan 0.000 0.499 932 P HA 0.305 nan 4.420 nan 0.000 0.271 932 P C -1.126 175.836 177.300 -0.564 0.000 1.218 932 P CA 0.002 62.844 63.100 -0.429 0.000 0.780 932 P CB 1.260 32.763 31.700 -0.328 0.000 0.901 933 S N -0.398 115.178 115.700 -0.207 0.000 2.655 933 S HA 0.423 4.908 4.470 0.026 0.000 0.266 933 S C -0.886 173.706 174.600 -0.014 0.000 1.149 933 S CA -1.019 57.107 58.200 -0.123 0.000 0.818 933 S CB 0.337 63.488 63.200 -0.083 0.000 1.130 933 S HN 0.361 nan 8.310 nan 0.000 0.476 934 E N 1.231 121.434 120.200 0.005 0.000 2.608 934 E HA 0.316 4.681 4.350 0.026 0.000 0.259 934 E C -0.180 176.482 176.600 0.103 0.000 0.951 934 E CA 0.893 57.328 56.400 0.059 0.000 0.945 934 E CB -0.364 29.394 29.700 0.096 0.000 0.916 934 E HN 0.783 nan 8.360 nan 0.000 0.477 935 N N 1.562 120.360 118.700 0.163 0.000 3.046 935 N HA 0.495 5.251 4.740 0.026 0.000 0.243 935 N C 0.118 175.689 175.510 0.102 0.000 1.452 935 N CA -0.637 52.549 53.050 0.225 0.000 0.882 935 N CB 0.966 39.585 38.487 0.219 0.000 1.425 935 N HN 0.721 nan 8.380 nan 0.000 0.517 936 G N -1.152 107.673 108.800 0.042 0.000 2.155 936 G HA2 -0.267 3.708 3.960 0.026 0.000 0.257 936 G HA3 -0.267 3.708 3.960 0.026 0.000 0.257 936 G C -0.250 174.392 174.900 -0.430 0.000 0.983 936 G CA 0.428 45.427 45.100 -0.167 0.000 0.676 936 G HN 0.696 nan 8.290 nan 0.000 0.528 937 L N -0.164 120.707 121.223 -0.586 0.000 2.483 937 L HA 0.683 5.039 4.340 0.026 0.000 0.275 937 L C 0.681 176.963 176.870 -0.979 0.000 1.220 937 L CA 0.336 54.587 54.840 -0.982 0.000 0.833 937 L CB 0.558 41.677 42.059 -1.568 0.000 1.102 937 L HN 0.253 nan 8.230 nan 0.000 0.490 938 R N 2.425 122.272 120.500 -1.088 0.000 2.575 938 R HA 0.514 4.870 4.340 0.026 0.000 0.293 938 R C -0.998 174.958 176.300 -0.573 0.000 0.983 938 R CA -0.275 55.327 56.100 -0.831 0.000 0.887 938 R CB 1.481 31.139 30.300 -1.070 0.000 1.184 938 R HN 0.702 nan 8.270 nan 0.000 0.445 939 C N 0.235 119.353 119.300 -0.304 0.000 2.547 939 C HA 0.701 5.177 4.460 0.026 0.000 0.411 939 C C 1.218 176.196 174.990 -0.020 0.000 1.424 939 C CA 0.021 58.939 59.018 -0.167 0.000 1.848 939 C CB 1.370 29.031 27.740 -0.131 0.000 2.062 939 C HN 1.023 nan 8.230 nan 0.000 0.504 940 G N 1.858 110.658 108.800 0.000 0.000 2.390 940 G HA2 -0.190 3.785 3.960 0.026 0.000 0.299 940 G HA3 -0.190 3.785 3.960 0.026 0.000 0.299 940 G C -0.024 174.935 174.900 0.098 0.000 1.002 940 G CA 0.679 45.824 45.100 0.075 0.000 0.979 940 G HN 0.791 nan 8.290 nan 0.000 0.513 941 T N -0.047 114.448 114.554 -0.098 0.000 2.806 941 T HA 0.499 4.865 4.350 0.026 0.000 0.290 941 T C 1.343 175.770 174.700 -0.455 0.000 0.966 941 T CA -0.523 61.465 62.100 -0.187 0.000 1.060 941 T CB 1.400 70.185 68.868 -0.139 0.000 0.927 941 T HN 0.212 nan 8.240 nan 0.000 0.485 942 R N 1.405 121.833 120.500 -0.121 0.000 2.307 942 R HA 0.287 4.642 4.340 0.026 0.000 0.200 942 R C 0.511 176.822 176.300 0.018 0.000 0.893 942 R CA 0.217 56.288 56.100 -0.049 0.000 1.042 942 R CB 0.400 30.799 30.300 0.163 0.000 1.059 942 R HN 0.697 nan 8.270 nan 0.000 0.530 943 E N 0.540 120.768 120.200 0.046 0.000 2.321 943 E HA 0.310 4.676 4.350 0.026 0.000 0.281 943 E C -1.802 174.944 176.600 0.243 0.000 0.910 943 E CA -0.672 55.839 56.400 0.186 0.000 0.770 943 E CB 1.574 31.358 29.700 0.139 0.000 1.225 943 E HN -0.088 nan 8.360 nan 0.000 0.417 944 L N 4.051 125.482 121.223 0.347 0.000 2.410 944 L HA 0.595 4.950 4.340 0.026 0.000 0.270 944 L C -1.797 175.265 176.870 0.319 0.000 0.983 944 L CA -0.399 54.584 54.840 0.238 0.000 0.822 944 L CB 1.776 43.818 42.059 -0.028 0.000 1.285 944 L HN 0.464 nan 8.230 nan 0.000 0.409 945 N N 4.300 123.162 118.700 0.269 0.000 2.314 945 N HA 0.432 5.188 4.740 0.026 0.000 0.294 945 N C -1.993 173.738 175.510 0.368 0.000 1.029 945 N CA -0.292 52.914 53.050 0.260 0.000 0.845 945 N CB 2.307 40.890 38.487 0.160 0.000 1.321 945 N HN 0.607 nan 8.380 nan 0.000 0.481 946 Y N 0.934 121.354 120.300 0.200 0.000 2.323 946 Y HA 0.390 4.956 4.550 0.026 0.000 0.322 946 Y C 0.558 176.541 175.900 0.138 0.000 1.133 946 Y CA 0.181 58.401 58.100 0.201 0.000 1.093 946 Y CB 0.567 39.216 38.460 0.315 0.000 1.203 946 Y HN 0.871 nan 8.280 nan 0.000 0.427 947 G N 6.470 115.081 108.800 -0.314 0.000 2.574 947 G HA2 -0.292 3.683 3.960 0.026 0.000 0.286 947 G HA3 -0.292 3.683 3.960 0.026 0.000 0.286 947 G C -1.818 172.950 174.900 -0.221 0.000 1.212 947 G CA 0.101 45.010 45.100 -0.318 0.000 0.979 947 G HN 0.591 nan 8.290 nan 0.000 0.557 948 P HA 0.171 nan 4.420 nan 0.000 0.255 948 P C 0.214 177.265 177.300 -0.415 0.000 1.248 948 P CA 0.644 63.532 63.100 -0.354 0.000 0.807 948 P CB 0.039 31.471 31.700 -0.447 0.000 1.150 949 H N 0.415 119.421 119.070 -0.108 0.000 2.482 949 H HA 0.458 5.029 4.556 0.026 0.000 0.344 949 H C -0.066 175.001 175.328 -0.435 0.000 1.151 949 H CA -0.005 55.861 56.048 -0.303 0.000 1.300 949 H CB 1.607 30.980 29.762 -0.648 0.000 1.494 949 H HN 0.076 nan 8.280 nan 0.000 0.542 950 Q N 2.473 122.026 119.800 -0.411 0.000 2.271 950 Q HA 0.223 4.578 4.340 0.026 0.000 0.268 950 Q C -1.682 174.066 176.000 -0.419 0.000 1.021 950 Q CA -0.667 54.967 55.803 -0.282 0.000 0.802 950 Q CB 1.860 30.578 28.738 -0.033 0.000 1.282 950 Q HN 0.579 nan 8.270 nan 0.000 0.431 951 W N 4.083 125.349 121.300 -0.058 0.000 2.656 951 W HA 0.565 5.240 4.660 0.026 0.000 0.327 951 W C -0.251 176.364 176.519 0.160 0.000 1.041 951 W CA -0.748 56.538 57.345 -0.098 0.000 1.229 951 W CB 1.937 31.128 29.460 -0.449 0.000 1.397 951 W HN 0.511 nan 8.180 nan 0.000 0.479 952 R N 0.767 121.513 120.500 0.410 0.000 2.740 952 R HA 0.802 5.157 4.340 0.026 0.000 0.282 952 R C 0.277 176.843 176.300 0.444 0.000 0.969 952 R CA -0.394 55.945 56.100 0.399 0.000 0.918 952 R CB 2.384 32.831 30.300 0.245 0.000 1.175 952 R HN 0.747 nan 8.270 nan 0.000 0.464 953 G N 0.762 109.797 108.800 0.391 0.000 2.553 953 G HA2 -0.002 3.974 3.960 0.026 0.000 0.106 953 G HA3 -0.002 3.974 3.960 0.026 0.000 0.106 953 G C -1.739 173.272 174.900 0.185 0.000 1.126 953 G CA -0.332 44.969 45.100 0.335 0.000 1.075 953 G HN 0.506 nan 8.290 nan 0.000 0.472 954 D N 0.026 120.537 120.400 0.185 0.000 2.411 954 D HA 0.577 5.232 4.640 0.026 0.000 0.239 954 D C -0.710 175.591 176.300 0.001 0.000 1.307 954 D CA -0.472 53.525 54.000 -0.005 0.000 0.930 954 D CB 0.141 40.975 40.800 0.057 0.000 1.395 954 D HN 0.579 nan 8.370 nan 0.000 0.536 955 F N -0.178 119.765 119.950 -0.013 0.000 2.726 955 F HA 0.762 5.304 4.527 0.026 0.000 0.324 955 F C -0.962 174.793 175.800 -0.076 0.000 1.140 955 F CA -0.996 56.934 58.000 -0.116 0.000 0.964 955 F CB 0.759 39.688 39.000 -0.119 0.000 1.399 955 F HN -0.155 nan 8.300 nan 0.000 0.491 956 Q N 1.331 121.244 119.800 0.187 0.000 2.351 956 Q HA 0.683 5.039 4.340 0.026 0.000 0.273 956 Q C -1.226 174.859 176.000 0.142 0.000 1.077 956 Q CA -0.569 55.249 55.803 0.026 0.000 0.843 956 Q CB 2.748 31.373 28.738 -0.188 0.000 1.367 956 Q HN 0.868 nan 8.270 nan 0.000 0.449 957 F N -1.447 118.386 119.950 -0.195 0.000 2.713 957 F HA 0.731 5.274 4.527 0.026 0.000 0.311 957 F C -1.545 174.034 175.800 -0.369 0.000 1.141 957 F CA -1.158 56.676 58.000 -0.277 0.000 0.939 957 F CB 1.409 40.252 39.000 -0.260 0.000 1.325 957 F HN 0.551 nan 8.300 nan 0.000 0.453 958 N N 1.267 119.808 118.700 -0.264 0.000 2.284 958 N HA 0.727 5.482 4.740 0.026 0.000 0.289 958 N C -2.109 173.346 175.510 -0.092 0.000 1.179 958 N CA -0.751 52.105 53.050 -0.323 0.000 0.774 958 N CB 2.638 40.946 38.487 -0.298 0.000 1.548 958 N HN 1.130 nan 8.380 nan 0.000 0.473 959 I N 0.393 120.902 120.570 -0.102 0.000 2.571 959 I HA 0.703 4.889 4.170 0.026 0.000 0.289 959 I C -1.338 174.695 176.117 -0.141 0.000 1.115 959 I CA 0.036 61.241 61.300 -0.157 0.000 1.045 959 I CB 1.282 39.131 38.000 -0.252 0.000 1.238 959 I HN 1.043 nan 8.210 nan 0.000 0.424 960 S N 6.209 121.834 115.700 -0.124 0.000 2.655 960 S HA 0.498 4.983 4.470 0.026 0.000 0.266 960 S C -0.087 174.387 174.600 -0.212 0.000 1.149 960 S CA -0.966 57.147 58.200 -0.145 0.000 0.818 960 S CB 1.617 64.786 63.200 -0.051 0.000 1.130 960 S HN 0.626 nan 8.310 nan 0.000 0.476 961 R N -0.242 119.943 120.500 -0.525 0.000 2.313 961 R HA 0.219 4.575 4.340 0.026 0.000 0.199 961 R C -0.702 175.254 176.300 -0.573 0.000 0.958 961 R CA 0.400 56.162 56.100 -0.564 0.000 1.047 961 R CB -0.867 29.043 30.300 -0.651 0.000 0.955 961 R HN 0.667 nan 8.270 nan 0.000 0.481 962 Y N 0.540 120.809 120.300 -0.052 0.000 2.335 962 Y HA 0.194 4.760 4.550 0.026 0.000 0.338 962 Y C 0.808 176.524 175.900 -0.306 0.000 0.977 962 Y CA -1.120 56.878 58.100 -0.170 0.000 1.114 962 Y CB 1.324 39.632 38.460 -0.253 0.000 1.182 962 Y HN -0.100 nan 8.280 nan 0.000 0.463 963 S N 1.648 117.042 115.700 -0.509 0.000 2.593 963 S HA 0.029 4.514 4.470 0.026 0.000 0.269 963 S C 0.914 175.178 174.600 -0.560 0.000 1.334 963 S CA -0.759 56.740 58.200 -1.168 0.000 1.015 963 S CB 1.133 63.504 63.200 -1.383 0.000 0.912 963 S HN 0.724 nan 8.310 nan 0.000 0.541 964 Q N 0.701 120.182 119.800 -0.533 0.000 2.124 964 Q HA -0.195 4.160 4.340 0.026 0.000 0.202 964 Q C 2.243 178.100 176.000 -0.239 0.000 0.977 964 Q CA 1.861 57.495 55.803 -0.283 0.000 0.850 964 Q CB -0.546 28.061 28.738 -0.218 0.000 0.901 964 Q HN 0.976 nan 8.270 nan 0.000 0.429 965 Q N 0.630 120.250 119.800 -0.299 0.000 2.050 965 Q HA -0.225 4.130 4.340 0.026 0.000 0.202 965 Q C 2.137 178.031 176.000 -0.177 0.000 0.980 965 Q CA 1.628 57.314 55.803 -0.194 0.000 0.840 965 Q CB -0.008 28.617 28.738 -0.188 0.000 0.898 965 Q HN 0.399 nan 8.270 nan 0.000 0.424 966 Q N 0.058 119.725 119.800 -0.221 0.000 2.050 966 Q HA -0.183 4.173 4.340 0.026 0.000 0.202 966 Q C 2.206 178.081 176.000 -0.207 0.000 0.980 966 Q CA 1.526 57.213 55.803 -0.193 0.000 0.840 966 Q CB -0.127 28.476 28.738 -0.226 0.000 0.898 966 Q HN 0.504 nan 8.270 nan 0.000 0.424 967 L N 0.476 121.570 121.223 -0.214 0.000 2.042 967 L HA -0.223 4.132 4.340 0.026 0.000 0.210 967 L C 2.734 179.473 176.870 -0.219 0.000 1.076 967 L CA 1.638 56.346 54.840 -0.220 0.000 0.749 967 L CB -0.520 41.445 42.059 -0.156 0.000 0.893 967 L HN 0.495 nan 8.230 nan 0.000 0.432 968 M N -1.334 118.169 119.600 -0.163 0.000 2.506 968 M HA -0.055 4.441 4.480 0.026 0.000 0.260 968 M C 1.397 177.629 176.300 -0.112 0.000 1.104 968 M CA 1.482 56.703 55.300 -0.131 0.000 1.112 968 M CB -0.053 32.486 32.600 -0.101 0.000 1.401 968 M HN 0.091 nan 8.290 nan 0.000 0.473 969 E N 0.844 120.975 120.200 -0.116 0.000 2.479 969 E HA 0.109 4.475 4.350 0.026 0.000 0.193 969 E C -0.461 176.093 176.600 -0.076 0.000 1.049 969 E CA 0.095 56.448 56.400 -0.078 0.000 0.870 969 E CB 0.601 30.261 29.700 -0.066 0.000 0.944 969 E HN 0.395 nan 8.360 nan 0.000 0.492 970 T N -0.061 114.412 114.554 -0.134 0.000 2.807 970 T HA 0.093 4.458 4.350 0.026 0.000 0.279 970 T C 0.999 175.623 174.700 -0.126 0.000 0.993 970 T CA -0.488 61.538 62.100 -0.124 0.000 0.970 970 T CB 1.717 70.473 68.868 -0.187 0.000 0.950 970 T HN 0.014 nan 8.240 nan 0.000 0.441 971 S N 1.786 117.519 115.700 0.056 0.000 2.501 971 S HA 0.067 4.553 4.470 0.026 0.000 0.220 971 S C 0.305 175.062 174.600 0.262 0.000 0.997 971 S CA 0.355 58.705 58.200 0.250 0.000 0.919 971 S CB -0.220 63.276 63.200 0.495 0.000 0.778 971 S HN 0.723 nan 8.310 nan 0.000 0.523 972 H N 0.734 119.823 119.070 0.032 0.000 2.679 972 H HA 0.513 5.084 4.556 0.026 0.000 0.360 972 H C 1.034 176.323 175.328 -0.065 0.000 1.105 972 H CA -0.763 55.341 56.048 0.094 0.000 1.196 972 H CB 1.559 31.337 29.762 0.027 0.000 1.636 972 H HN 0.148 nan 8.280 nan 0.000 0.531 973 R N 2.015 122.606 120.500 0.152 0.000 2.105 973 R HA -0.171 4.185 4.340 0.026 0.000 0.239 973 R C 1.198 177.502 176.300 0.007 0.000 1.135 973 R CA 1.870 58.005 56.100 0.058 0.000 0.967 973 R CB -0.496 29.891 30.300 0.145 0.000 0.861 973 R HN 0.773 nan 8.270 nan 0.000 0.442 974 H N 1.049 120.141 119.070 0.036 0.000 2.545 974 H HA 0.014 4.586 4.556 0.026 0.000 0.282 974 H C 1.413 176.681 175.328 -0.099 0.000 1.020 974 H CA 0.801 56.834 56.048 -0.025 0.000 1.243 974 H CB -0.147 29.606 29.762 -0.016 0.000 1.377 974 H HN 0.327 nan 8.280 nan 0.000 0.581 975 L N 0.807 121.662 121.223 -0.612 0.000 2.607 975 L HA 0.234 4.589 4.340 0.026 0.000 0.228 975 L C 0.619 177.348 176.870 -0.234 0.000 1.123 975 L CA -0.162 54.390 54.840 -0.481 0.000 0.890 975 L CB 0.185 41.939 42.059 -0.508 0.000 1.103 975 L HN 0.049 nan 8.230 nan 0.000 0.468 976 L N 0.759 121.830 121.223 -0.255 0.000 2.436 976 L HA 0.177 4.532 4.340 0.026 0.000 0.265 976 L C 0.166 176.976 176.870 -0.100 0.000 1.168 976 L CA -0.201 54.449 54.840 -0.316 0.000 0.815 976 L CB 0.492 42.137 42.059 -0.691 0.000 1.109 976 L HN 0.194 nan 8.230 nan 0.000 0.462 977 H N 1.525 120.598 119.070 0.006 0.000 2.589 977 H HA 0.554 5.125 4.556 0.026 0.000 0.351 977 H C -0.781 174.677 175.328 0.218 0.000 1.074 977 H CA -1.232 54.873 56.048 0.094 0.000 1.203 977 H CB 1.308 31.083 29.762 0.022 0.000 1.558 977 H HN 0.681 nan 8.280 nan 0.000 0.522 978 A N 4.131 127.071 122.820 0.199 0.000 2.548 978 A HA 0.064 4.399 4.320 0.026 0.000 0.247 978 A C 0.403 178.035 177.584 0.080 0.000 1.067 978 A CA -0.106 51.913 52.037 -0.029 0.000 0.757 978 A CB -0.153 18.792 19.000 -0.091 0.000 0.996 978 A HN 0.846 nan 8.150 nan 0.000 0.504 979 E N 1.421 121.647 120.200 0.044 0.000 2.385 979 E HA 0.197 4.562 4.350 0.026 0.000 0.254 979 E C 0.022 176.661 176.600 0.065 0.000 1.228 979 E CA -0.717 55.774 56.400 0.152 0.000 0.956 979 E CB 0.692 30.549 29.700 0.261 0.000 1.116 979 E HN 0.791 nan 8.360 nan 0.000 0.507 980 E N 0.124 120.357 120.200 0.056 0.000 2.383 980 E HA 0.232 4.597 4.350 0.026 0.000 0.264 980 E C 0.298 176.853 176.600 -0.075 0.000 1.050 980 E CA 0.518 56.913 56.400 -0.007 0.000 0.896 980 E CB 0.531 30.226 29.700 -0.007 0.000 0.982 980 E HN 0.665 nan 8.360 nan 0.000 0.424 981 G N 2.481 111.237 108.800 -0.074 0.000 2.698 981 G HA2 -0.228 3.747 3.960 0.026 0.000 0.233 981 G HA3 -0.228 3.747 3.960 0.026 0.000 0.233 981 G C -0.612 174.216 174.900 -0.121 0.000 1.352 981 G CA -0.137 44.901 45.100 -0.104 0.000 0.879 981 G HN 0.591 nan 8.290 nan 0.000 0.567 982 T N 0.283 114.748 114.554 -0.148 0.000 2.841 982 T HA 0.504 4.869 4.350 0.026 0.000 0.285 982 T C -0.707 173.828 174.700 -0.275 0.000 0.991 982 T CA -0.132 61.880 62.100 -0.147 0.000 0.966 982 T CB 1.307 70.171 68.868 -0.007 0.000 0.962 982 T HN 0.549 nan 8.240 nan 0.000 0.438 983 W N 3.324 124.527 121.300 -0.162 0.000 2.322 983 W HA 0.579 5.255 4.660 0.026 0.000 0.307 983 W C -0.274 176.112 176.519 -0.222 0.000 1.220 983 W CA -0.646 56.602 57.345 -0.161 0.000 1.210 983 W CB 0.664 30.042 29.460 -0.138 0.000 1.223 983 W HN 0.352 nan 8.180 nan 0.000 0.511 984 L N 5.716 126.914 121.223 -0.042 0.000 2.333 984 L HA 0.510 4.865 4.340 0.026 0.000 0.280 984 L C -0.959 175.796 176.870 -0.192 0.000 1.004 984 L CA -0.456 54.246 54.840 -0.230 0.000 0.820 984 L CB 0.872 42.645 42.059 -0.476 0.000 1.247 984 L HN 0.305 nan 8.230 nan 0.000 0.416 985 N N 6.809 125.386 118.700 -0.205 0.000 2.479 985 N HA 0.468 5.224 4.740 0.026 0.000 0.261 985 N C -1.221 174.129 175.510 -0.266 0.000 0.979 985 N CA -0.175 52.753 53.050 -0.204 0.000 0.930 985 N CB 2.144 40.544 38.487 -0.144 0.000 1.172 985 N HN 0.562 nan 8.380 nan 0.000 0.499 986 I N 1.784 122.142 120.570 -0.355 0.000 2.382 986 I HA 0.225 4.411 4.170 0.026 0.000 0.286 986 I C -0.664 175.239 176.117 -0.358 0.000 1.002 986 I CA -0.640 60.400 61.300 -0.434 0.000 1.135 986 I CB 1.504 39.041 38.000 -0.771 0.000 1.288 986 I HN 0.145 nan 8.210 nan 0.000 0.448 987 D N 4.560 124.793 120.400 -0.279 0.000 2.192 987 D HA 0.277 4.932 4.640 0.026 0.000 0.246 987 D C 0.932 176.928 176.300 -0.507 0.000 1.042 987 D CA -0.217 53.567 54.000 -0.360 0.000 0.847 987 D CB 2.432 43.130 40.800 -0.169 0.000 1.186 987 D HN 0.685 nan 8.370 nan 0.000 0.461 988 G N 1.093 109.292 108.800 -1.001 0.000 2.408 988 G HA2 -0.007 3.969 3.960 0.026 0.000 0.215 988 G HA3 -0.007 3.969 3.960 0.026 0.000 0.215 988 G C 0.096 174.259 174.900 -1.228 0.000 1.156 988 G CA 0.526 44.908 45.100 -1.197 0.000 0.793 988 G HN 0.372 nan 8.290 nan 0.000 0.535 989 F N -2.029 117.728 119.950 -0.322 0.000 2.601 989 F HA 0.602 5.144 4.527 0.025 0.000 0.309 989 F C -0.523 175.187 175.800 -0.150 0.000 1.089 989 F CA -1.150 56.739 58.000 -0.185 0.000 0.940 989 F CB 2.183 40.993 39.000 -0.318 0.000 1.273 989 F HN 0.040 nan 8.300 nan 0.000 0.450 990 H N 1.850 120.929 119.070 0.015 0.000 2.865 990 H HA 0.529 5.100 4.556 0.025 0.000 0.362 990 H C -0.871 174.483 175.328 0.043 0.000 1.114 990 H CA -0.910 55.121 56.048 -0.028 0.000 1.208 990 H CB 1.863 31.589 29.762 -0.060 0.000 1.727 990 H HN 0.776 nan 8.280 nan 0.000 0.534 991 M N 3.447 123.008 119.600 -0.064 0.000 2.240 991 M HA 0.302 4.797 4.480 0.026 0.000 0.333 991 M C 0.438 176.855 176.300 0.195 0.000 1.110 991 M CA 0.317 55.641 55.300 0.040 0.000 1.173 991 M CB 0.417 32.933 32.600 -0.139 0.000 1.458 991 M HN 0.816 nan 8.290 nan 0.000 0.458 992 G N 2.673 111.568 108.800 0.158 0.000 2.684 992 G HA2 0.299 4.274 3.960 0.026 0.000 0.255 992 G HA3 0.299 4.274 3.960 0.026 0.000 0.255 992 G C 0.584 175.467 174.900 -0.028 0.000 1.219 992 G CA -0.369 44.758 45.100 0.046 0.000 0.901 992 G HN 0.977 nan 8.290 nan 0.000 0.548 993 I N -2.033 118.467 120.570 -0.117 0.000 3.854 993 I HA 0.405 4.590 4.170 0.026 0.000 0.312 993 I C 1.240 177.286 176.117 -0.118 0.000 1.273 993 I CA 0.464 61.655 61.300 -0.181 0.000 1.298 993 I CB -0.540 37.246 38.000 -0.357 0.000 1.071 993 I HN 0.924 nan 8.210 nan 0.000 0.428 994 G N 1.743 110.499 108.800 -0.073 0.000 2.601 994 G HA2 -0.008 3.967 3.960 0.026 0.000 0.252 994 G HA3 -0.008 3.967 3.960 0.026 0.000 0.252 994 G C 0.626 175.521 174.900 -0.007 0.000 1.294 994 G CA 0.279 45.374 45.100 -0.007 0.000 0.912 994 G HN 1.389 nan 8.290 nan 0.000 0.574 995 G N -2.484 106.326 108.800 0.016 0.000 2.425 995 G HA2 -0.023 3.952 3.960 0.026 0.000 0.177 995 G HA3 -0.023 3.952 3.960 0.026 0.000 0.177 995 G C 0.702 175.656 174.900 0.089 0.000 0.999 995 G CA 0.899 46.018 45.100 0.032 0.000 0.723 995 G HN 0.999 nan 8.290 nan 0.000 0.491 996 D N 1.308 121.781 120.400 0.121 0.000 2.203 996 D HA 0.071 4.726 4.640 0.026 0.000 0.199 996 D C 1.032 177.364 176.300 0.053 0.000 0.997 996 D CA 2.110 56.242 54.000 0.219 0.000 0.863 996 D CB 0.085 41.027 40.800 0.237 0.000 0.928 996 D HN 0.832 nan 8.370 nan 0.000 0.458 997 D N -3.394 116.827 120.400 -0.297 0.000 2.643 997 D HA 0.370 5.026 4.640 0.026 0.000 0.283 997 D C -0.902 174.920 176.300 -0.797 0.000 1.242 997 D CA -0.766 52.622 54.000 -1.020 0.000 0.863 997 D CB 1.018 40.584 40.800 -2.056 0.000 1.382 997 D HN -0.309 nan 8.370 nan 0.000 0.444 998 S N -0.387 114.727 115.700 -0.977 0.000 2.661 998 S HA 0.258 4.743 4.470 0.026 0.000 0.245 998 S C -0.763 173.957 174.600 0.200 0.000 1.117 998 S CA -0.720 57.403 58.200 -0.129 0.000 1.091 998 S CB -0.515 62.817 63.200 0.219 0.000 0.887 998 S HN 0.632 nan 8.310 nan 0.000 0.491 999 W N 0.531 121.775 121.300 -0.093 0.000 2.079 999 W HA 0.491 5.166 4.660 0.024 0.000 0.285 999 W C -0.038 176.434 176.519 -0.078 0.000 0.891 999 W CA -0.428 56.864 57.345 -0.088 0.000 1.308 999 W CB -0.426 28.909 29.460 -0.207 0.000 1.047 999 W HN 0.196 nan 8.180 nan 0.000 0.522 1000 S N -0.712 114.924 115.700 -0.108 0.000 2.550 1000 S HA 0.615 5.100 4.470 0.026 0.000 0.270 1000 S C -3.062 171.488 174.600 -0.083 0.000 1.145 1000 S CA -1.689 56.465 58.200 -0.078 0.000 0.852 1000 S CB 1.751 64.912 63.200 -0.064 0.000 1.119 1000 S HN -0.227 nan 8.310 nan 0.000 0.465 1001 P HA 0.151 nan 4.420 nan 0.000 0.261 1001 P C 0.447 177.794 177.300 0.079 0.000 1.183 1001 P CA 0.093 63.214 63.100 0.036 0.000 0.761 1001 P CB 0.560 32.160 31.700 -0.167 0.000 0.785 1002 S N 0.819 116.607 115.700 0.147 0.000 2.780 1002 S HA 0.138 4.624 4.470 0.026 0.000 0.248 1002 S C 0.193 174.881 174.600 0.147 0.000 1.036 1002 S CA -0.295 57.963 58.200 0.096 0.000 1.061 1002 S CB -0.205 62.999 63.200 0.007 0.000 1.037 1002 S HN 0.111 nan 8.310 nan 0.000 0.584 1003 V N 2.859 122.904 119.914 0.219 0.000 2.455 1003 V HA 0.387 4.522 4.120 0.026 0.000 0.273 1003 V C 0.836 177.081 176.094 0.251 0.000 1.045 1003 V CA -0.293 62.118 62.300 0.184 0.000 0.976 1003 V CB 0.999 32.875 31.823 0.089 0.000 0.993 1003 V HN 0.513 nan 8.190 nan 0.000 0.475 1004 S N 3.896 119.758 115.700 0.271 0.000 2.573 1004 S HA 0.273 4.759 4.470 0.026 0.000 0.277 1004 S C 1.525 176.268 174.600 0.238 0.000 1.346 1004 S CA 0.096 58.449 58.200 0.255 0.000 1.034 1004 S CB 1.107 64.476 63.200 0.282 0.000 0.879 1004 S HN 0.987 nan 8.310 nan 0.000 0.528 1005 A N 3.282 126.198 122.820 0.160 0.000 1.940 1005 A HA -0.130 4.205 4.320 0.026 0.000 0.219 1005 A C 1.993 179.606 177.584 0.049 0.000 1.176 1005 A CA 1.754 53.873 52.037 0.136 0.000 0.631 1005 A CB -0.640 18.419 19.000 0.098 0.000 0.814 1005 A HN 0.951 nan 8.150 nan 0.000 0.446 1006 E N -0.735 119.427 120.200 -0.065 0.000 2.409 1006 E HA -0.134 4.232 4.350 0.026 0.000 0.198 1006 E C 0.766 177.092 176.600 -0.456 0.000 1.024 1006 E CA 0.788 57.019 56.400 -0.281 0.000 0.861 1006 E CB -0.471 28.977 29.700 -0.419 0.000 0.788 1006 E HN 0.687 nan 8.360 nan 0.000 0.521 1007 F N 1.072 121.074 119.950 0.086 0.000 2.678 1007 F HA 0.263 4.805 4.527 0.025 0.000 0.305 1007 F C 0.931 176.770 175.800 0.064 0.000 1.090 1007 F CA -0.451 57.599 58.000 0.084 0.000 1.272 1007 F CB 0.486 39.535 39.000 0.082 0.000 1.060 1007 F HN -0.186 nan 8.300 nan 0.000 0.576 1008 Q N 1.243 121.148 119.800 0.176 0.000 2.230 1008 Q HA 0.407 4.763 4.340 0.026 0.000 0.248 1008 Q C -0.260 175.776 176.000 0.061 0.000 0.915 1008 Q CA -0.484 55.406 55.803 0.145 0.000 0.900 1008 Q CB 1.863 30.791 28.738 0.317 0.000 1.229 1008 Q HN 0.240 nan 8.270 nan 0.000 0.439 1009 L N 2.443 123.689 121.223 0.037 0.000 2.399 1009 L HA 0.126 4.481 4.340 0.026 0.000 0.257 1009 L C 0.602 177.441 176.870 -0.052 0.000 1.236 1009 L CA -0.075 54.774 54.840 0.015 0.000 1.144 1009 L CB -0.247 41.706 42.059 -0.175 0.000 1.379 1009 L HN 0.698 nan 8.230 nan 0.000 0.414 1010 S N -1.025 114.543 115.700 -0.220 0.000 2.554 1010 S HA 0.146 4.631 4.470 0.026 0.000 0.226 1010 S C 1.646 176.143 174.600 -0.171 0.000 0.980 1010 S CA 0.169 58.033 58.200 -0.561 0.000 0.939 1010 S CB 0.738 63.420 63.200 -0.864 0.000 0.832 1010 S HN 0.516 nan 8.310 nan 0.000 0.486 1011 A N 1.509 124.269 122.820 -0.099 0.000 2.125 1011 A HA 0.404 4.740 4.320 0.026 0.000 0.219 1011 A C 2.131 179.530 177.584 -0.308 0.000 1.156 1011 A CA 1.363 53.185 52.037 -0.358 0.000 0.671 1011 A CB -1.325 17.177 19.000 -0.830 0.000 0.794 1011 A HN 1.490 nan 8.150 nan 0.000 0.459 1012 G N -1.158 107.586 108.800 -0.092 0.000 2.900 1012 G HA2 -0.314 3.662 3.960 0.026 0.000 0.223 1012 G HA3 -0.314 3.662 3.960 0.026 0.000 0.223 1012 G C 0.461 175.352 174.900 -0.015 0.000 1.293 1012 G CA 0.436 45.531 45.100 -0.009 0.000 0.792 1012 G HN 0.727 nan 8.290 nan 0.000 0.527 1013 R N -0.464 119.911 120.500 -0.209 0.000 2.534 1013 R HA 0.704 5.059 4.340 0.026 0.000 0.301 1013 R C -1.526 174.547 176.300 -0.377 0.000 0.961 1013 R CA -0.596 55.426 56.100 -0.131 0.000 0.871 1013 R CB 1.624 31.881 30.300 -0.072 0.000 1.170 1013 R HN 0.289 nan 8.270 nan 0.000 0.446 1014 Y N 0.198 120.487 120.300 -0.019 0.000 2.492 1014 Y HA 0.324 4.890 4.550 0.025 0.000 0.346 1014 Y C -0.504 175.530 175.900 0.225 0.000 0.997 1014 Y CA -0.841 57.209 58.100 -0.084 0.000 1.025 1014 Y CB 2.296 40.546 38.460 -0.350 0.000 1.263 1014 Y HN 0.600 nan 8.280 nan 0.000 0.454 1015 H N 2.667 122.000 119.070 0.439 0.000 2.717 1015 H HA 0.628 5.200 4.556 0.026 0.000 0.366 1015 H C -1.702 174.016 175.328 0.649 0.000 1.132 1015 H CA -0.902 55.399 56.048 0.421 0.000 1.180 1015 H CB 1.296 31.204 29.762 0.244 0.000 1.678 1015 H HN 0.572 nan 8.280 nan 0.000 0.537 1016 Y N 1.252 121.451 120.300 -0.169 0.000 2.638 1016 Y HA 0.473 5.038 4.550 0.026 0.000 0.335 1016 Y C -1.999 173.738 175.900 -0.272 0.000 1.155 1016 Y CA -1.134 56.916 58.100 -0.083 0.000 1.046 1016 Y CB 1.418 39.880 38.460 0.003 0.000 1.303 1016 Y HN 0.721 nan 8.280 nan 0.000 0.460 1017 Q N 2.656 122.478 119.800 0.036 0.000 2.340 1017 Q HA 0.754 5.109 4.340 0.026 0.000 0.276 1017 Q C -2.208 173.880 176.000 0.146 0.000 1.048 1017 Q CA -1.015 54.774 55.803 -0.024 0.000 0.832 1017 Q CB 3.234 31.991 28.738 0.032 0.000 1.373 1017 Q HN 0.852 nan 8.270 nan 0.000 0.409 1018 L N 1.343 122.637 121.223 0.119 0.000 2.388 1018 L HA 0.713 5.068 4.340 0.026 0.000 0.264 1018 L C -0.917 176.076 176.870 0.205 0.000 0.998 1018 L CA -1.307 53.649 54.840 0.193 0.000 0.817 1018 L CB 2.631 44.785 42.059 0.158 0.000 1.338 1018 L HN 0.480 nan 8.230 nan 0.000 0.414 1019 V N 1.130 121.193 119.914 0.247 0.000 2.417 1019 V HA 0.401 4.536 4.120 0.026 0.000 0.291 1019 V C -1.135 175.149 176.094 0.316 0.000 1.024 1019 V CA -0.443 62.008 62.300 0.252 0.000 0.861 1019 V CB 1.940 33.882 31.823 0.198 0.000 0.985 1019 V HN 0.590 nan 8.190 nan 0.000 0.436 1020 W N 6.936 128.307 121.300 0.118 0.000 2.532 1020 W HA 0.719 5.394 4.660 0.026 0.000 0.321 1020 W C -0.456 176.071 176.519 0.014 0.000 1.037 1020 W CA -1.232 56.111 57.345 -0.004 0.000 1.220 1020 W CB 1.514 31.032 29.460 0.096 0.000 1.361 1020 W HN 0.839 nan 8.180 nan 0.000 0.468 1021 C N 4.584 124.170 119.300 0.477 0.000 3.241 1021 C HA 0.679 5.154 4.460 0.026 0.000 0.312 1021 C C -0.640 174.484 174.990 0.224 0.000 1.350 1021 C CA -0.841 58.360 59.018 0.304 0.000 1.415 1021 C CB 1.915 29.770 27.740 0.191 0.000 1.770 1021 C HN 0.709 nan 8.230 nan 0.000 0.466 1022 Q N 1.432 121.311 119.800 0.132 0.000 2.306 1022 Q HA 0.684 5.040 4.340 0.026 0.000 0.265 1022 Q C -1.085 174.913 176.000 -0.002 0.000 1.022 1022 Q CA -0.039 55.776 55.803 0.020 0.000 0.853 1022 Q CB 1.888 30.595 28.738 -0.052 0.000 1.327 1022 Q HN 0.937 nan 8.270 nan 0.000 0.449 1023 K N 0.000 120.372 120.400 -0.047 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.026 0.000 0.191 1023 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 1023 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543