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 1px4_1_A 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 IAVSEATRID 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 0.000 176.101 176.300 -0.332 0.000 0.893 13 R CA 0.000 55.976 56.100 -0.206 0.000 0.921 13 R CB 0.000 30.177 30.300 -0.205 0.000 0.687 14 R N 1.442 121.624 120.500 -0.531 0.000 3.657 14 R HA 0.104 4.451 4.340 0.012 0.000 0.220 14 R C -0.265 175.474 176.300 -0.934 0.000 1.548 14 R CA -0.287 55.077 56.100 -1.226 0.000 1.465 14 R CB 0.071 29.813 30.300 -0.929 0.000 1.330 14 R HN 0.517 nan 8.270 nan 0.000 0.707 15 D N 0.982 121.046 120.400 -0.559 0.000 2.311 15 D HA -0.181 4.466 4.640 0.012 0.000 0.212 15 D C 1.327 177.538 176.300 -0.148 0.000 0.972 15 D CA 1.083 54.857 54.000 -0.376 0.000 0.887 15 D CB 0.137 40.574 40.800 -0.605 0.000 0.915 15 D HN 0.648 nan 8.370 nan 0.000 0.497 16 W N 1.146 122.482 121.300 0.060 0.000 3.180 16 W HA 0.203 4.870 4.660 0.011 0.000 0.254 16 W C 0.536 177.162 176.519 0.177 0.000 1.318 16 W CA -0.258 57.222 57.345 0.225 0.000 1.608 16 W CB -0.181 29.461 29.460 0.304 0.000 1.124 16 W HN -0.208 nan 8.180 nan 0.000 0.694 17 E N 1.220 121.273 120.200 -0.245 0.000 3.385 17 E HA 0.060 4.417 4.350 0.012 0.000 0.206 17 E C -0.796 175.658 176.600 -0.244 0.000 0.997 17 E CA -0.213 56.084 56.400 -0.173 0.000 1.278 17 E CB -0.222 29.367 29.700 -0.185 0.000 1.165 17 E HN 0.020 nan 8.360 nan 0.000 0.452 18 N N 0.901 119.493 118.700 -0.179 0.000 2.699 18 N HA 0.116 4.863 4.740 0.012 0.000 0.271 18 N C -2.419 172.960 175.510 -0.219 0.000 1.216 18 N CA -1.776 51.133 53.050 -0.234 0.000 0.844 18 N CB 1.426 39.786 38.487 -0.211 0.000 1.462 18 N HN -0.161 nan 8.380 nan 0.000 0.555 19 P HA 0.072 nan 4.420 nan 0.000 0.234 19 P C 1.008 178.079 177.300 -0.381 0.000 1.167 19 P CA 0.612 63.402 63.100 -0.516 0.000 0.763 19 P CB 0.116 31.014 31.700 -1.337 0.000 0.835 20 G N -0.634 107.985 108.800 -0.301 0.000 2.777 20 G HA2 0.103 4.070 3.960 0.012 0.000 0.211 20 G HA3 0.103 4.070 3.960 0.012 0.000 0.211 20 G C 0.200 175.024 174.900 -0.125 0.000 1.149 20 G CA 0.141 45.112 45.100 -0.215 0.000 0.785 20 G HN 0.199 nan 8.290 nan 0.000 0.536 21 V N 1.716 121.575 119.914 -0.091 0.000 2.349 21 V HA 0.294 4.421 4.120 0.012 0.000 0.284 21 V C 0.837 176.991 176.094 0.101 0.000 1.014 21 V CA 0.079 62.375 62.300 -0.006 0.000 0.826 21 V CB 1.248 33.051 31.823 -0.034 0.000 1.009 21 V HN 0.317 nan 8.190 nan 0.000 0.431 22 T N 0.662 115.269 114.554 0.089 0.000 3.023 22 T HA 0.370 4.727 4.350 0.012 0.000 0.253 22 T C 0.249 175.001 174.700 0.088 0.000 1.038 22 T CA 0.096 62.254 62.100 0.097 0.000 0.962 22 T CB 0.313 69.190 68.868 0.015 0.000 1.018 22 T HN 0.695 nan 8.240 nan 0.000 0.521 23 Q N 0.224 120.122 119.800 0.165 0.000 2.776 23 Q HA 0.656 5.003 4.340 0.012 0.000 0.289 23 Q C -2.328 173.809 176.000 0.228 0.000 0.912 23 Q CA -1.038 54.856 55.803 0.152 0.000 0.789 23 Q CB 0.728 29.467 28.738 0.002 0.000 1.498 23 Q HN 0.220 nan 8.270 nan 0.000 0.408 24 L N 1.729 123.106 121.223 0.257 0.000 2.470 24 L HA 0.599 4.946 4.340 0.012 0.000 0.268 24 L C -0.612 176.370 176.870 0.186 0.000 0.964 24 L CA -0.893 54.096 54.840 0.249 0.000 0.839 24 L CB 1.924 44.240 42.059 0.428 0.000 1.276 24 L HN 0.861 nan 8.230 nan 0.000 0.403 25 N N 0.905 119.686 118.700 0.135 0.000 2.741 25 N HA -0.209 4.538 4.740 0.012 0.000 0.251 25 N C 0.198 175.772 175.510 0.107 0.000 1.112 25 N CA 0.824 53.943 53.050 0.114 0.000 0.750 25 N CB -0.785 37.734 38.487 0.054 0.000 1.119 25 N HN 0.656 nan 8.380 nan 0.000 0.561 26 R N 0.893 121.383 120.500 -0.017 0.000 2.490 26 R HA 0.374 4.721 4.340 0.012 0.000 0.280 26 R C 0.622 176.786 176.300 -0.226 0.000 1.077 26 R CA -0.362 55.528 56.100 -0.351 0.000 1.065 26 R CB 0.552 30.639 30.300 -0.356 0.000 1.003 26 R HN 0.118 nan 8.270 nan 0.000 0.470 27 L N 2.953 124.015 121.223 -0.270 0.000 2.464 27 L HA 0.263 4.610 4.340 0.012 0.000 0.264 27 L C 0.714 177.535 176.870 -0.081 0.000 1.199 27 L CA -0.516 54.259 54.840 -0.109 0.000 0.818 27 L CB 0.677 42.702 42.059 -0.056 0.000 1.102 27 L HN 0.764 nan 8.230 nan 0.000 0.473 28 A N 1.448 124.261 122.820 -0.011 0.000 2.466 28 A HA 0.470 4.797 4.320 0.012 0.000 0.238 28 A C 0.330 177.933 177.584 0.032 0.000 1.074 28 A CA 0.032 52.073 52.037 0.005 0.000 0.774 28 A CB 0.173 19.201 19.000 0.047 0.000 1.015 28 A HN 0.807 nan 8.150 nan 0.000 0.498 29 A N 1.311 124.097 122.820 -0.057 0.000 2.332 29 A HA 0.675 5.002 4.320 0.012 0.000 0.258 29 A C 0.112 177.613 177.584 -0.137 0.000 1.087 29 A CA 0.476 52.398 52.037 -0.192 0.000 0.802 29 A CB -0.073 18.807 19.000 -0.200 0.000 1.042 29 A HN 1.846 nan 8.150 nan 0.000 0.489 30 H N -2.100 116.811 119.070 -0.265 0.000 2.917 30 H HA 0.648 5.211 4.556 0.012 0.000 0.299 30 H C -3.401 171.637 175.328 -0.483 0.000 1.418 30 H CA -1.828 53.998 56.048 -0.370 0.000 1.138 30 H CB 0.127 29.563 29.762 -0.543 0.000 1.830 30 H HN 0.376 nan 8.280 nan 0.000 0.514 31 P HA 0.241 nan 4.420 nan 0.000 0.276 31 P C -2.613 174.518 177.300 -0.282 0.000 1.252 31 P CA -1.523 61.359 63.100 -0.364 0.000 0.802 31 P CB -0.111 31.293 31.700 -0.493 0.000 1.035 32 P HA 0.024 nan 4.420 nan 0.000 0.261 32 P C -0.780 176.729 177.300 0.348 0.000 1.183 32 P CA 1.176 64.318 63.100 0.071 0.000 0.761 32 P CB -0.111 31.668 31.700 0.132 0.000 0.785 33 F N 1.372 121.434 119.950 0.188 0.000 2.575 33 F HA 0.618 5.152 4.527 0.012 0.000 0.330 33 F C 0.972 176.724 175.800 -0.080 0.000 1.056 33 F CA -1.038 57.023 58.000 0.102 0.000 0.964 33 F CB 2.186 41.212 39.000 0.043 0.000 1.258 33 F HN 0.208 nan 8.300 nan 0.000 0.484 34 A N 0.244 123.022 122.820 -0.069 0.000 2.664 34 A HA 0.240 4.567 4.320 0.012 0.000 0.222 34 A C 0.509 177.822 177.584 -0.451 0.000 1.320 34 A CA 0.396 52.162 52.037 -0.453 0.000 1.029 34 A CB -0.114 18.186 19.000 -1.167 0.000 1.318 34 A HN 0.737 nan 8.150 nan 0.000 0.589 35 S N 0.533 116.078 115.700 -0.258 0.000 3.524 35 S HA -0.149 4.328 4.470 0.012 0.000 0.377 35 S C 0.029 174.578 174.600 -0.085 0.000 0.949 35 S CA 0.458 58.559 58.200 -0.164 0.000 1.264 35 S CB -1.497 61.598 63.200 -0.175 0.000 0.918 35 S HN 0.467 nan 8.310 nan 0.000 0.517 36 W N 1.916 123.193 121.300 -0.037 0.000 2.150 36 W HA 0.283 4.949 4.660 0.011 0.000 0.341 36 W C 1.395 177.889 176.519 -0.041 0.000 1.276 36 W CA -0.592 56.736 57.345 -0.027 0.000 1.238 36 W CB 0.305 29.750 29.460 -0.026 0.000 1.128 36 W HN 0.350 nan 8.180 nan 0.000 0.581 37 R N 1.681 122.303 120.500 0.204 0.000 2.577 37 R HA 0.093 4.440 4.340 0.012 0.000 0.344 37 R C -0.114 176.236 176.300 0.083 0.000 1.037 37 R CA -0.123 56.037 56.100 0.101 0.000 1.102 37 R CB -0.129 30.201 30.300 0.050 0.000 1.313 37 R HN 0.355 nan 8.270 nan 0.000 0.561 38 N N -0.042 118.720 118.700 0.104 0.000 2.397 38 N HA 0.123 4.870 4.740 0.012 0.000 0.291 38 N C -0.108 175.367 175.510 -0.058 0.000 1.065 38 N CA -0.059 53.004 53.050 0.021 0.000 0.884 38 N CB 1.972 40.472 38.487 0.022 0.000 1.551 38 N HN -0.263 nan 8.380 nan 0.000 0.487 39 S N 2.265 117.907 115.700 -0.096 0.000 2.402 39 S HA -0.137 4.340 4.470 0.012 0.000 0.229 39 S C 1.368 175.793 174.600 -0.291 0.000 1.021 39 S CA 0.997 59.095 58.200 -0.171 0.000 0.974 39 S CB 0.017 63.148 63.200 -0.114 0.000 0.800 39 S HN 0.762 nan 8.310 nan 0.000 0.484 40 E N 1.740 121.789 120.200 -0.251 0.000 2.106 40 E HA -0.122 4.235 4.350 0.012 0.000 0.192 40 E C 1.825 178.209 176.600 -0.360 0.000 0.984 40 E CA 1.040 57.251 56.400 -0.316 0.000 0.806 40 E CB -0.143 29.430 29.700 -0.212 0.000 0.750 40 E HN 0.279 nan 8.360 nan 0.000 0.458 41 E N 0.221 120.230 120.200 -0.319 0.000 2.110 41 E HA -0.149 4.208 4.350 0.012 0.000 0.193 41 E C 1.965 178.016 176.600 -0.916 0.000 0.988 41 E CA 1.127 57.314 56.400 -0.356 0.000 0.804 41 E CB -0.420 29.231 29.700 -0.083 0.000 0.745 41 E HN 0.400 nan 8.360 nan 0.000 0.458 42 A N 1.544 123.632 122.820 -1.220 0.000 1.898 42 A HA -0.160 4.167 4.320 0.012 0.000 0.216 42 A C 2.234 179.214 177.584 -1.007 0.000 1.181 42 A CA 1.455 52.408 52.037 -1.807 0.000 0.620 42 A CB -0.467 17.917 19.000 -1.026 0.000 0.819 42 A HN 0.127 nan 8.150 nan 0.000 0.442 43 R N -0.019 120.073 120.500 -0.679 0.000 2.091 43 R HA -0.151 4.196 4.340 0.012 0.000 0.238 43 R C 2.016 178.058 176.300 -0.430 0.000 1.136 43 R CA 2.192 57.947 56.100 -0.574 0.000 0.959 43 R CB -0.549 29.286 30.300 -0.775 0.000 0.856 43 R HN 0.619 nan 8.270 nan 0.000 0.437 44 T N -2.485 111.833 114.554 -0.392 0.000 3.148 44 T HA 0.003 4.360 4.350 0.012 0.000 0.253 44 T C 0.383 174.996 174.700 -0.145 0.000 1.134 44 T CA 0.653 62.614 62.100 -0.231 0.000 1.051 44 T CB -0.040 68.721 68.868 -0.179 0.000 0.959 44 T HN 0.380 nan 8.240 nan 0.000 0.525 45 D N 0.728 121.003 120.400 -0.209 0.000 2.945 45 D HA -0.160 4.487 4.640 0.012 0.000 0.225 45 D C 0.062 176.483 176.300 0.202 0.000 1.158 45 D CA 0.466 54.496 54.000 0.049 0.000 0.805 45 D CB -1.093 39.778 40.800 0.118 0.000 1.098 45 D HN 0.592 nan 8.370 nan 0.000 0.426 46 R N 0.072 120.664 120.500 0.154 0.000 2.637 46 R HA 0.445 4.792 4.340 0.012 0.000 0.269 46 R C -2.053 174.509 176.300 0.435 0.000 1.089 46 R CA -1.286 54.950 56.100 0.226 0.000 1.177 46 R CB 0.172 30.546 30.300 0.124 0.000 1.091 46 R HN 0.075 nan 8.270 nan 0.000 0.540 47 P HA -0.047 nan 4.420 nan 0.000 0.268 47 P C -0.746 176.694 177.300 0.235 0.000 1.208 47 P CA 0.128 63.357 63.100 0.215 0.000 0.777 47 P CB 0.701 32.481 31.700 0.134 0.000 0.875 48 S N 0.813 116.521 115.700 0.014 0.000 2.472 48 S HA 0.144 4.621 4.470 0.012 0.000 0.303 48 S C 0.897 175.495 174.600 -0.002 0.000 1.099 48 S CA -0.551 57.589 58.200 -0.102 0.000 1.077 48 S CB 0.735 63.548 63.200 -0.645 0.000 1.031 48 S HN 0.326 nan 8.310 nan 0.000 0.487 49 Q N 1.885 121.723 119.800 0.064 0.000 2.364 49 Q HA -0.070 4.277 4.340 0.012 0.000 0.207 49 Q C 0.666 176.778 176.000 0.186 0.000 0.970 49 Q CA 1.148 57.026 55.803 0.124 0.000 0.888 49 Q CB 0.048 28.861 28.738 0.126 0.000 0.951 49 Q HN 0.689 nan 8.270 nan 0.000 0.469 50 Q N -0.373 119.451 119.800 0.040 0.000 2.360 50 Q HA 0.102 4.449 4.340 0.012 0.000 0.202 50 Q C -0.498 175.530 176.000 0.046 0.000 0.915 50 Q CA 0.178 55.953 55.803 -0.047 0.000 0.943 50 Q CB 0.511 29.138 28.738 -0.185 0.000 1.064 50 Q HN 0.014 nan 8.270 nan 0.000 0.511 51 L N 0.739 122.016 121.223 0.090 0.000 2.388 51 L HA 0.444 4.791 4.340 0.012 0.000 0.267 51 L C -1.212 175.740 176.870 0.137 0.000 0.995 51 L CA -0.400 54.493 54.840 0.088 0.000 0.864 51 L CB 0.966 42.985 42.059 -0.067 0.000 1.216 51 L HN -0.098 nan 8.230 nan 0.000 0.430 52 R N 2.214 122.836 120.500 0.203 0.000 2.668 52 R HA 0.648 4.995 4.340 0.012 0.000 0.279 52 R C -0.476 175.851 176.300 0.045 0.000 0.976 52 R CA -0.744 55.421 56.100 0.109 0.000 0.978 52 R CB 1.961 32.294 30.300 0.054 0.000 1.133 52 R HN 0.630 nan 8.270 nan 0.000 0.484 53 S N 1.638 117.352 115.700 0.024 0.000 2.508 53 S HA 0.297 4.774 4.470 0.012 0.000 0.284 53 S C 0.517 175.115 174.600 -0.003 0.000 1.192 53 S CA -0.688 57.516 58.200 0.006 0.000 1.070 53 S CB 0.571 63.784 63.200 0.022 0.000 1.004 53 S HN 0.559 nan 8.310 nan 0.000 0.493 54 L N 3.500 124.716 121.223 -0.011 0.000 2.818 54 L HA 0.300 4.647 4.340 0.012 0.000 0.243 54 L C 0.137 177.146 176.870 0.232 0.000 1.185 54 L CA -0.358 54.495 54.840 0.022 0.000 0.988 54 L CB -0.299 41.704 42.059 -0.093 0.000 1.292 54 L HN 0.528 nan 8.230 nan 0.000 0.519 55 N N 1.282 120.067 118.700 0.142 0.000 2.453 55 N HA 0.475 5.222 4.740 0.012 0.000 0.253 55 N C 0.638 176.279 175.510 0.218 0.000 1.252 55 N CA 0.960 54.104 53.050 0.157 0.000 0.917 55 N CB 1.282 39.795 38.487 0.044 0.000 1.117 55 N HN 0.296 nan 8.380 nan 0.000 0.442 56 G N 0.227 109.178 108.800 0.251 0.000 2.291 56 G HA2 -0.077 3.890 3.960 0.012 0.000 0.249 56 G HA3 -0.077 3.890 3.960 0.012 0.000 0.249 56 G C -1.456 173.668 174.900 0.375 0.000 1.340 56 G CA -0.826 44.419 45.100 0.240 0.000 1.017 56 G HN 0.466 nan 8.290 nan 0.000 0.470 57 E N 0.030 120.409 120.200 0.298 0.000 2.223 57 E HA 0.448 4.805 4.350 0.012 0.000 0.282 57 E C -0.880 175.962 176.600 0.403 0.000 1.046 57 E CA -0.047 56.537 56.400 0.306 0.000 0.857 57 E CB 0.676 30.477 29.700 0.168 0.000 1.055 57 E HN 0.364 nan 8.360 nan 0.000 0.409 58 W N 2.001 123.392 121.300 0.152 0.000 2.894 58 W HA 0.425 5.092 4.660 0.012 0.000 0.345 58 W C -0.024 176.624 176.519 0.215 0.000 1.152 58 W CA -0.728 56.739 57.345 0.203 0.000 1.089 58 W CB 0.853 30.487 29.460 0.290 0.000 1.454 58 W HN 0.185 nan 8.180 nan 0.000 0.589 59 R N 1.692 122.474 120.500 0.470 0.000 2.312 59 R HA 0.540 4.887 4.340 0.012 0.000 0.311 59 R C -1.440 175.111 176.300 0.418 0.000 1.004 59 R CA -0.820 55.493 56.100 0.355 0.000 0.902 59 R CB 0.982 31.434 30.300 0.255 0.000 1.073 59 R HN 0.483 nan 8.270 nan 0.000 0.457 60 F N 0.669 120.660 119.950 0.068 0.000 2.591 60 F HA 0.644 5.178 4.527 0.012 0.000 0.309 60 F C -1.532 174.108 175.800 -0.267 0.000 1.098 60 F CA -0.625 57.276 58.000 -0.165 0.000 0.937 60 F CB 1.990 40.780 39.000 -0.351 0.000 1.250 60 F HN 0.603 nan 8.300 nan 0.000 0.447 61 A N 4.635 126.706 122.820 -1.248 0.000 2.422 61 A HA 0.555 4.882 4.320 0.012 0.000 0.302 61 A C -2.363 174.299 177.584 -1.536 0.000 1.041 61 A CA -0.534 50.827 52.037 -1.127 0.000 0.708 61 A CB 0.715 19.333 19.000 -0.637 0.000 1.257 61 A HN 0.973 nan 8.150 nan 0.000 0.414 62 W N 2.869 123.317 121.300 -1.421 0.000 2.417 62 W HA 0.732 5.399 4.660 0.012 0.000 0.317 62 W C -1.775 174.174 176.519 -0.951 0.000 1.121 62 W CA -0.291 56.402 57.345 -1.088 0.000 1.208 62 W CB 0.934 29.998 29.460 -0.660 0.000 1.253 62 W HN 0.497 nan 8.180 nan 0.000 0.533 63 F N 6.059 125.416 119.950 -0.987 0.000 2.588 63 F HA 0.388 4.922 4.527 0.012 0.000 0.314 63 F C -1.338 173.566 175.800 -1.493 0.000 1.069 63 F CA -2.337 55.144 58.000 -0.865 0.000 0.931 63 F CB 1.804 40.436 39.000 -0.614 0.000 1.260 63 F HN 0.205 nan 8.300 nan 0.000 0.465 64 P HA 0.183 nan 4.420 nan 0.000 0.245 64 P C -0.436 176.703 177.300 -0.269 0.000 1.206 64 P CA 0.699 63.453 63.100 -0.577 0.000 0.781 64 P CB 0.757 32.434 31.700 -0.038 0.000 0.994 65 A N -0.323 122.358 122.820 -0.233 0.000 2.597 65 A HA 0.503 4.830 4.320 0.012 0.000 0.292 65 A C -2.519 174.950 177.584 -0.192 0.000 1.057 65 A CA -0.885 51.074 52.037 -0.129 0.000 0.674 65 A CB 0.377 19.369 19.000 -0.014 0.000 1.278 65 A HN -0.315 nan 8.150 nan 0.000 0.416 66 P HA -0.067 nan 4.420 nan 0.000 0.220 66 P C 0.744 177.939 177.300 -0.176 0.000 1.148 66 P CA 1.446 64.401 63.100 -0.240 0.000 0.803 66 P CB 0.234 31.750 31.700 -0.306 0.000 0.782 67 E N -0.015 120.143 120.200 -0.070 0.000 2.338 67 E HA -0.043 4.314 4.350 0.012 0.000 0.197 67 E C 1.961 178.497 176.600 -0.108 0.000 1.007 67 E CA 1.097 57.469 56.400 -0.046 0.000 0.849 67 E CB -0.826 28.885 29.700 0.018 0.000 0.774 67 E HN 0.218 nan 8.360 nan 0.000 0.506 68 A N 0.362 123.088 122.820 -0.157 0.000 2.251 68 A HA 0.095 4.422 4.320 0.012 0.000 0.209 68 A C 0.695 178.022 177.584 -0.428 0.000 1.187 68 A CA -0.103 51.845 52.037 -0.149 0.000 0.823 68 A CB 0.243 19.251 19.000 0.014 0.000 0.846 68 A HN 0.037 nan 8.150 nan 0.000 0.486 69 V N 3.001 122.506 119.914 -0.681 0.000 2.530 69 V HA 0.232 4.359 4.120 0.012 0.000 0.282 69 V C -2.020 173.758 176.094 -0.527 0.000 1.048 69 V CA -1.427 60.227 62.300 -1.077 0.000 0.997 69 V CB 0.777 32.025 31.823 -0.960 0.000 0.987 69 V HN 0.368 nan 8.190 nan 0.000 0.477 70 P HA 0.257 nan 4.420 nan 0.000 0.284 70 P C 0.327 177.577 177.300 -0.084 0.000 1.253 70 P CA -0.547 62.462 63.100 -0.152 0.000 0.800 70 P CB 1.080 32.749 31.700 -0.051 0.000 0.961 71 E N 0.826 120.985 120.200 -0.068 0.000 2.265 71 E HA -0.200 4.157 4.350 0.012 0.000 0.196 71 E C 1.550 178.123 176.600 -0.045 0.000 0.996 71 E CA 1.563 57.922 56.400 -0.067 0.000 0.832 71 E CB -0.879 28.784 29.700 -0.062 0.000 0.756 71 E HN 0.406 nan 8.360 nan 0.000 0.491 72 S N 0.031 115.728 115.700 -0.005 0.000 2.419 72 S HA -0.213 4.264 4.470 0.012 0.000 0.233 72 S C 1.658 176.270 174.600 0.020 0.000 1.016 72 S CA 0.650 58.852 58.200 0.003 0.000 0.974 72 S CB -0.876 62.339 63.200 0.025 0.000 0.786 72 S HN 0.638 nan 8.310 nan 0.000 0.492 73 W N 2.548 123.756 121.300 -0.152 0.000 2.364 73 W HA 0.017 4.684 4.660 0.011 0.000 0.281 73 W C 1.541 177.946 176.519 -0.191 0.000 1.219 73 W CA 0.872 58.124 57.345 -0.156 0.000 1.220 73 W CB -0.365 28.975 29.460 -0.200 0.000 1.127 73 W HN 0.280 nan 8.180 nan 0.000 0.556 74 L N 0.169 121.155 121.223 -0.395 0.000 2.141 74 L HA -0.140 4.207 4.340 0.012 0.000 0.209 74 L C 2.227 178.869 176.870 -0.380 0.000 1.094 74 L CA 1.251 55.721 54.840 -0.616 0.000 0.763 74 L CB -0.672 41.041 42.059 -0.577 0.000 0.908 74 L HN -0.060 nan 8.230 nan 0.000 0.437 75 E N -1.452 118.612 120.200 -0.227 0.000 2.413 75 E HA 0.150 4.507 4.350 0.012 0.000 0.203 75 E C 0.148 176.678 176.600 -0.116 0.000 0.957 75 E CA 0.218 56.534 56.400 -0.139 0.000 0.950 75 E CB 0.727 30.381 29.700 -0.076 0.000 0.957 75 E HN 0.338 nan 8.360 nan 0.000 0.497 76 C N 0.958 120.194 119.300 -0.106 0.000 2.797 76 C HA 0.306 4.773 4.460 0.012 0.000 0.306 76 C C -0.132 174.855 174.990 -0.005 0.000 1.207 76 C CA -1.517 57.472 59.018 -0.048 0.000 1.507 76 C CB 1.724 29.460 27.740 -0.007 0.000 2.028 76 C HN 0.255 nan 8.230 nan 0.000 0.475 77 D N 1.091 121.503 120.400 0.019 0.000 2.455 77 D HA 0.254 4.901 4.640 0.012 0.000 0.241 77 D C -0.569 175.806 176.300 0.125 0.000 1.138 77 D CA 0.212 54.266 54.000 0.089 0.000 0.877 77 D CB 0.590 41.431 40.800 0.068 0.000 1.187 77 D HN 0.387 nan 8.370 nan 0.000 0.451 78 L N 6.191 127.530 121.223 0.192 0.000 2.313 78 L HA 0.246 4.593 4.340 0.012 0.000 0.282 78 L C -1.096 175.826 176.870 0.086 0.000 1.092 78 L CA -1.448 53.477 54.840 0.142 0.000 0.831 78 L CB 1.139 43.288 42.059 0.150 0.000 1.159 78 L HN 0.536 nan 8.230 nan 0.000 0.442 79 P HA -0.256 nan 4.420 nan 0.000 0.216 79 P C 0.932 178.252 177.300 0.033 0.000 1.154 79 P CA 1.388 64.514 63.100 0.043 0.000 0.865 79 P CB 0.059 31.779 31.700 0.033 0.000 0.789 80 E N 0.072 120.283 120.200 0.019 0.000 2.502 80 E HA 0.077 4.434 4.350 0.012 0.000 0.194 80 E C 0.669 177.262 176.600 -0.011 0.000 1.062 80 E CA -0.051 56.348 56.400 -0.003 0.000 0.867 80 E CB -0.566 29.116 29.700 -0.029 0.000 0.888 80 E HN 0.086 nan 8.360 nan 0.000 0.510 81 A N 1.153 123.977 122.820 0.008 0.000 2.386 81 A HA 0.190 4.517 4.320 0.012 0.000 0.246 81 A C -0.183 177.443 177.584 0.070 0.000 1.089 81 A CA -0.109 51.933 52.037 0.007 0.000 0.790 81 A CB 0.296 19.326 19.000 0.051 0.000 1.042 81 A HN 0.160 nan 8.150 nan 0.000 0.497 82 D N -0.370 120.106 120.400 0.126 0.000 2.299 82 D HA 0.506 5.153 4.640 0.012 0.000 0.243 82 D C -0.633 175.781 176.300 0.190 0.000 0.982 82 D CA -0.017 54.084 54.000 0.169 0.000 0.924 82 D CB 1.409 42.363 40.800 0.257 0.000 1.238 82 D HN 0.372 nan 8.370 nan 0.000 0.484 83 T N 0.564 115.210 114.554 0.153 0.000 2.771 83 T HA 0.512 4.869 4.350 0.012 0.000 0.291 83 T C 0.151 174.946 174.700 0.158 0.000 0.954 83 T CA -0.503 61.697 62.100 0.168 0.000 1.045 83 T CB 0.712 69.654 68.868 0.123 0.000 0.917 83 T HN 0.269 nan 8.240 nan 0.000 0.484 84 V N 1.245 121.287 119.914 0.214 0.000 3.160 84 V HA 0.798 4.925 4.120 0.012 0.000 0.310 84 V C -0.375 175.843 176.094 0.208 0.000 1.181 84 V CA -1.035 61.353 62.300 0.146 0.000 1.047 84 V CB 1.699 33.611 31.823 0.150 0.000 1.068 84 V HN 0.513 nan 8.190 nan 0.000 0.441 85 V N 1.744 121.753 119.914 0.159 0.000 2.546 85 V HA 0.551 4.678 4.120 0.012 0.000 0.284 85 V C -0.066 176.109 176.094 0.135 0.000 1.050 85 V CA -0.073 62.322 62.300 0.159 0.000 0.981 85 V CB 1.494 33.380 31.823 0.105 0.000 0.990 85 V HN 0.755 nan 8.190 nan 0.000 0.474 86 V N 7.246 127.163 119.914 0.005 0.000 2.656 86 V HA 0.461 4.588 4.120 0.012 0.000 0.307 86 V C -2.282 173.691 176.094 -0.201 0.000 1.051 86 V CA -1.761 60.389 62.300 -0.250 0.000 0.893 86 V CB 2.444 33.743 31.823 -0.873 0.000 0.999 86 V HN 0.757 nan 8.190 nan 0.000 0.426 87 P HA 0.386 nan 4.420 nan 0.000 0.274 87 P C -0.732 176.496 177.300 -0.120 0.000 1.231 87 P CA 0.004 62.974 63.100 -0.216 0.000 0.790 87 P CB 1.217 32.800 31.700 -0.195 0.000 0.951 88 S N 0.360 116.002 115.700 -0.097 0.000 2.595 88 S HA 0.399 4.876 4.470 0.012 0.000 0.270 88 S C -1.314 173.232 174.600 -0.090 0.000 1.145 88 S CA -1.041 57.098 58.200 -0.102 0.000 0.825 88 S CB 0.456 63.577 63.200 -0.133 0.000 1.107 88 S HN 0.354 nan 8.310 nan 0.000 0.461 89 N N 1.050 119.630 118.700 -0.201 0.000 2.424 89 N HA 0.424 5.171 4.740 0.012 0.000 0.271 89 N C 0.479 175.809 175.510 -0.299 0.000 0.985 89 N CA -0.825 52.075 53.050 -0.251 0.000 0.921 89 N CB 0.730 39.040 38.487 -0.295 0.000 1.149 89 N HN 0.851 nan 8.380 nan 0.000 0.492 90 W N 2.634 123.790 121.300 -0.241 0.000 2.421 90 W HA -0.078 4.589 4.660 0.012 0.000 0.270 90 W C 1.028 177.504 176.519 -0.071 0.000 1.233 90 W CA 0.733 57.932 57.345 -0.243 0.000 1.226 90 W CB -0.343 28.970 29.460 -0.245 0.000 1.121 90 W HN 0.513 nan 8.180 nan 0.000 0.579 91 Q N 0.466 120.226 119.800 -0.067 0.000 2.170 91 Q HA -0.148 4.199 4.340 0.012 0.000 0.203 91 Q C 2.197 178.121 176.000 -0.128 0.000 0.976 91 Q CA 2.082 57.840 55.803 -0.076 0.000 0.858 91 Q CB -0.554 28.017 28.738 -0.279 0.000 0.907 91 Q HN 0.252 nan 8.270 nan 0.000 0.433 92 M N -0.856 118.625 119.600 -0.198 0.000 2.460 92 M HA -0.089 4.398 4.480 0.012 0.000 0.263 92 M C 0.795 177.135 176.300 0.068 0.000 1.071 92 M CA 1.508 56.719 55.300 -0.148 0.000 1.096 92 M CB -0.670 31.825 32.600 -0.176 0.000 1.408 92 M HN 0.380 nan 8.290 nan 0.000 0.463 93 H N -0.965 118.107 119.070 0.002 0.000 2.551 93 H HA 0.288 4.851 4.556 0.012 0.000 0.271 93 H C 1.262 176.462 175.328 -0.213 0.000 0.984 93 H CA 0.104 56.126 56.048 -0.043 0.000 1.164 93 H CB 0.410 30.232 29.762 0.100 0.000 1.437 93 H HN 0.561 nan 8.280 nan 0.000 0.550 94 G N 0.533 109.319 108.800 -0.024 0.000 2.157 94 G HA2 -0.357 3.610 3.960 0.012 0.000 0.248 94 G HA3 -0.357 3.610 3.960 0.012 0.000 0.248 94 G C 0.414 175.173 174.900 -0.235 0.000 0.979 94 G CA 0.238 45.253 45.100 -0.142 0.000 0.650 94 G HN 0.475 nan 8.290 nan 0.000 0.529 95 Y N 1.671 121.987 120.300 0.027 0.000 2.352 95 Y HA 0.239 4.796 4.550 0.012 0.000 0.292 95 Y C 1.665 177.332 175.900 -0.389 0.000 1.136 95 Y CA 1.654 59.656 58.100 -0.163 0.000 1.227 95 Y CB 0.207 38.635 38.460 -0.053 0.000 0.991 95 Y HN 0.667 nan 8.280 nan 0.000 0.545 96 D N -2.133 118.317 120.400 0.082 0.000 2.692 96 D HA 0.465 5.112 4.640 0.012 0.000 0.290 96 D C -1.254 175.116 176.300 0.117 0.000 1.281 96 D CA -0.789 53.265 54.000 0.090 0.000 0.804 96 D CB 0.670 41.662 40.800 0.319 0.000 1.331 96 D HN -0.066 nan 8.370 nan 0.000 0.432 97 A N 0.006 122.905 122.820 0.132 0.000 2.327 97 A HA 0.710 5.037 4.320 0.012 0.000 0.283 97 A C -2.330 175.268 177.584 0.023 0.000 1.127 97 A CA -1.144 50.944 52.037 0.085 0.000 0.810 97 A CB 0.074 19.197 19.000 0.204 0.000 1.066 97 A HN 0.536 nan 8.150 nan 0.000 0.492 98 P HA 0.446 nan 4.420 nan 0.000 0.277 98 P C -0.870 176.609 177.300 0.299 0.000 1.240 98 P CA 0.039 63.088 63.100 -0.086 0.000 0.798 98 P CB 0.756 32.153 31.700 -0.505 0.000 0.979 99 I N 1.809 122.649 120.570 0.450 0.000 2.474 99 I HA 0.254 4.431 4.170 0.012 0.000 0.294 99 I C -0.564 175.747 176.117 0.324 0.000 1.005 99 I CA -0.972 60.587 61.300 0.430 0.000 1.113 99 I CB 1.709 39.891 38.000 0.303 0.000 1.289 99 I HN 0.283 nan 8.210 nan 0.000 0.436 100 Y N 5.960 126.190 120.300 -0.116 0.000 2.593 100 Y HA 0.484 5.040 4.550 0.011 0.000 0.331 100 Y C -0.272 175.458 175.900 -0.282 0.000 0.986 100 Y CA -0.483 57.239 58.100 -0.630 0.000 1.262 100 Y CB 0.989 38.621 38.460 -1.380 0.000 1.098 100 Y HN 0.527 nan 8.280 nan 0.000 0.506 101 T N 4.958 118.961 114.554 -0.919 0.000 2.876 101 T HA 0.278 4.635 4.350 0.012 0.000 0.289 101 T C 0.160 174.331 174.700 -0.883 0.000 1.014 101 T CA -0.568 61.036 62.100 -0.827 0.000 0.986 101 T CB 1.139 69.775 68.868 -0.388 0.000 1.021 101 T HN 0.742 nan 8.240 nan 0.000 0.458 102 N N 2.603 120.855 118.700 -0.747 0.000 2.358 102 N HA 0.070 4.817 4.740 0.012 0.000 0.209 102 N C 1.615 176.842 175.510 -0.472 0.000 1.033 102 N CA 1.423 54.178 53.050 -0.492 0.000 1.021 102 N CB -0.664 37.563 38.487 -0.434 0.000 1.244 102 N HN 0.386 nan 8.380 nan 0.000 0.523 103 V N 0.447 120.018 119.914 -0.571 0.000 2.426 103 V HA 0.090 4.217 4.120 0.012 0.000 0.242 103 V C 0.524 176.311 176.094 -0.511 0.000 1.036 103 V CA 0.988 62.876 62.300 -0.687 0.000 1.044 103 V CB -0.764 30.550 31.823 -0.848 0.000 0.688 103 V HN 0.336 nan 8.190 nan 0.000 0.462 104 T N 0.687 115.007 114.554 -0.389 0.000 2.888 104 T HA 0.196 4.553 4.350 0.012 0.000 0.301 104 T C -0.331 174.237 174.700 -0.220 0.000 1.001 104 T CA 0.148 62.097 62.100 -0.252 0.000 1.147 104 T CB -0.044 68.706 68.868 -0.197 0.000 0.931 104 T HN 0.174 nan 8.240 nan 0.000 0.541 105 Y N 4.283 124.480 120.300 -0.172 0.000 2.550 105 Y HA 0.122 4.679 4.550 0.011 0.000 0.343 105 Y C -0.817 174.953 175.900 -0.217 0.000 1.245 105 Y CA -1.555 56.432 58.100 -0.188 0.000 1.462 105 Y CB 0.370 38.709 38.460 -0.200 0.000 1.340 105 Y HN 0.509 nan 8.280 nan 0.000 0.604 106 P HA 0.017 nan 4.420 nan 0.000 0.241 106 P C -0.331 176.754 177.300 -0.359 0.000 1.191 106 P CA 1.053 64.049 63.100 -0.173 0.000 0.771 106 P CB 0.126 31.774 31.700 -0.087 0.000 0.929 107 I N -4.981 115.332 120.570 -0.428 0.000 2.892 107 I HA 0.495 4.672 4.170 0.012 0.000 0.306 107 I C -0.555 175.414 176.117 -0.246 0.000 1.078 107 I CA -1.191 59.827 61.300 -0.470 0.000 1.032 107 I CB 1.779 39.335 38.000 -0.740 0.000 1.229 107 I HN -0.457 nan 8.210 nan 0.000 0.435 108 T N 3.056 117.510 114.554 -0.166 0.000 2.934 108 T HA 0.129 4.486 4.350 0.012 0.000 0.306 108 T C 0.236 174.904 174.700 -0.053 0.000 1.042 108 T CA -0.174 61.882 62.100 -0.074 0.000 1.145 108 T CB 0.593 69.443 68.868 -0.029 0.000 0.982 108 T HN 0.385 nan 8.240 nan 0.000 0.544 109 V N 5.054 124.953 119.914 -0.025 0.000 2.352 109 V HA 0.224 4.351 4.120 0.012 0.000 0.253 109 V C 0.713 176.845 176.094 0.063 0.000 1.083 109 V CA -0.211 62.092 62.300 0.006 0.000 0.993 109 V CB -0.320 31.487 31.823 -0.027 0.000 1.111 109 V HN 0.856 nan 8.190 nan 0.000 0.490 110 N N 5.863 124.661 118.700 0.164 0.000 2.666 110 N HA 0.248 4.995 4.740 0.012 0.000 0.253 110 N C -2.883 172.705 175.510 0.129 0.000 1.621 110 N CA -1.316 51.823 53.050 0.147 0.000 0.785 110 N CB 1.366 39.974 38.487 0.202 0.000 1.332 110 N HN 0.272 nan 8.380 nan 0.000 0.514 111 P HA 0.148 nan 4.420 nan 0.000 0.264 111 P C -2.221 174.859 177.300 -0.365 0.000 1.183 111 P CA -0.609 62.068 63.100 -0.706 0.000 0.763 111 P CB 0.592 31.729 31.700 -0.940 0.000 0.807 112 P HA 0.223 nan 4.420 nan 0.000 0.269 112 P C -0.330 176.808 177.300 -0.270 0.000 1.478 112 P CA -0.238 62.606 63.100 -0.426 0.000 1.045 112 P CB 0.091 31.492 31.700 -0.498 0.000 1.512 113 F N 1.008 121.053 119.950 0.159 0.000 2.380 113 F HA 0.304 4.838 4.527 0.012 0.000 0.325 113 F C 1.380 177.345 175.800 0.276 0.000 1.136 113 F CA -0.818 57.294 58.000 0.187 0.000 1.171 113 F CB 0.744 39.804 39.000 0.100 0.000 1.230 113 F HN -0.231 nan 8.300 nan 0.000 0.554 114 V N -0.917 119.269 119.914 0.454 0.000 3.113 114 V HA 0.689 4.816 4.120 0.012 0.000 0.316 114 V C -2.734 173.510 176.094 0.250 0.000 1.125 114 V CA -2.898 59.589 62.300 0.311 0.000 1.026 114 V CB 1.277 33.344 31.823 0.408 0.000 1.080 114 V HN 0.471 nan 8.190 nan 0.000 0.444 115 P HA 0.198 nan 4.420 nan 0.000 0.267 115 P C 0.961 178.391 177.300 0.215 0.000 1.200 115 P CA 0.398 63.578 63.100 0.134 0.000 0.772 115 P CB 0.477 32.235 31.700 0.096 0.000 0.855 116 T N -1.890 112.763 114.554 0.165 0.000 3.035 116 T HA -0.038 4.319 4.350 0.012 0.000 0.268 116 T C 0.380 175.187 174.700 0.178 0.000 1.109 116 T CA 0.649 62.858 62.100 0.182 0.000 1.119 116 T CB -0.435 68.513 68.868 0.135 0.000 0.900 116 T HN 0.374 nan 8.240 nan 0.000 0.503 117 E N 2.496 122.803 120.200 0.179 0.000 2.044 117 E HA 0.375 4.732 4.350 0.012 0.000 0.282 117 E C -0.676 176.084 176.600 0.267 0.000 1.031 117 E CA -0.438 56.071 56.400 0.181 0.000 0.824 117 E CB 0.360 30.169 29.700 0.183 0.000 1.076 117 E HN 0.171 nan 8.360 nan 0.000 0.395 118 N N 4.429 123.254 118.700 0.208 0.000 2.577 118 N HA 0.258 5.005 4.740 0.012 0.000 0.275 118 N C -2.899 172.629 175.510 0.030 0.000 1.091 118 N CA -2.553 50.657 53.050 0.266 0.000 0.843 118 N CB 1.219 39.867 38.487 0.269 0.000 1.295 118 N HN 0.057 nan 8.380 nan 0.000 0.530 119 P HA 0.018 nan 4.420 nan 0.000 0.260 119 P C -0.809 176.395 177.300 -0.161 0.000 1.172 119 P CA 0.529 63.545 63.100 -0.140 0.000 0.760 119 P CB 0.404 32.328 31.700 0.372 0.000 0.773 120 T N 2.992 117.214 114.554 -0.552 0.000 2.792 120 T HA 0.560 4.917 4.350 0.012 0.000 0.280 120 T C 0.264 174.510 174.700 -0.756 0.000 0.990 120 T CA -0.529 61.301 62.100 -0.451 0.000 0.960 120 T CB 1.410 70.029 68.868 -0.415 0.000 0.939 120 T HN 0.338 nan 8.240 nan 0.000 0.439 121 G N 1.181 109.591 108.800 -0.652 0.000 2.384 121 G HA2 0.471 4.438 3.960 0.012 0.000 0.316 121 G HA3 0.471 4.438 3.960 0.012 0.000 0.316 121 G C -0.251 174.397 174.900 -0.420 0.000 1.160 121 G CA -0.361 44.217 45.100 -0.871 0.000 0.936 121 G HN 0.860 nan 8.290 nan 0.000 0.455 122 C N 3.313 122.145 119.300 -0.780 0.000 2.225 122 C HA 0.451 4.918 4.460 0.012 0.000 0.328 122 C C -0.424 174.522 174.990 -0.074 0.000 1.187 122 C CA -0.874 57.799 59.018 -0.576 0.000 1.665 122 C CB -1.826 25.104 27.740 -1.350 0.000 2.253 122 C HN 0.621 nan 8.230 nan 0.000 0.497 123 Y N 1.966 122.546 120.300 0.466 0.000 2.419 123 Y HA 0.636 5.193 4.550 0.012 0.000 0.328 123 Y C 0.824 177.185 175.900 0.767 0.000 1.162 123 Y CA -0.124 58.368 58.100 0.655 0.000 1.174 123 Y CB 1.460 40.309 38.460 0.649 0.000 1.228 123 Y HN 0.677 nan 8.280 nan 0.000 0.473 124 S N 2.010 118.202 115.700 0.821 0.000 2.570 124 S HA 0.805 5.282 4.470 0.012 0.000 0.270 124 S C -1.972 172.709 174.600 0.134 0.000 1.149 124 S CA -0.817 57.645 58.200 0.437 0.000 0.837 124 S CB 2.136 65.489 63.200 0.255 0.000 1.124 124 S HN 0.614 nan 8.310 nan 0.000 0.465 125 L N 0.788 121.906 121.223 -0.176 0.000 2.526 125 L HA 0.714 5.061 4.340 0.012 0.000 0.263 125 L C -1.162 175.656 176.870 -0.086 0.000 0.943 125 L CA 0.131 54.710 54.840 -0.434 0.000 0.859 125 L CB 2.246 43.470 42.059 -1.392 0.000 1.313 125 L HN 0.914 nan 8.230 nan 0.000 0.406 126 T N 5.702 120.230 114.554 -0.043 0.000 2.767 126 T HA 0.734 5.091 4.350 0.012 0.000 0.284 126 T C -0.747 173.993 174.700 0.066 0.000 0.973 126 T CA 0.003 62.107 62.100 0.007 0.000 0.996 126 T CB 0.248 69.090 68.868 -0.044 0.000 0.927 126 T HN 0.463 nan 8.240 nan 0.000 0.456 127 F N 1.028 120.880 119.950 -0.162 0.000 2.664 127 F HA 0.767 5.301 4.527 0.012 0.000 0.317 127 F C -0.725 174.998 175.800 -0.129 0.000 1.108 127 F CA -1.554 56.352 58.000 -0.158 0.000 0.957 127 F CB 1.376 40.261 39.000 -0.192 0.000 1.365 127 F HN 0.342 nan 8.300 nan 0.000 0.475 128 N N 0.263 118.873 118.700 -0.151 0.000 2.487 128 N HA 0.641 5.388 4.740 0.012 0.000 0.292 128 N C -1.892 173.480 175.510 -0.230 0.000 1.108 128 N CA -0.440 52.470 53.050 -0.234 0.000 0.956 128 N CB 1.926 40.333 38.487 -0.132 0.000 1.176 128 N HN 0.642 nan 8.380 nan 0.000 0.484 129 V N 2.177 121.926 119.914 -0.275 0.000 2.577 129 V HA 0.295 4.422 4.120 0.012 0.000 0.303 129 V C -0.753 175.209 176.094 -0.219 0.000 1.042 129 V CA -0.941 61.201 62.300 -0.264 0.000 0.872 129 V CB 1.614 33.344 31.823 -0.155 0.000 0.998 129 V HN 0.694 nan 8.190 nan 0.000 0.423 130 D N 2.213 122.434 120.400 -0.299 0.000 2.341 130 D HA 0.178 4.825 4.640 0.012 0.000 0.245 130 D C 1.116 177.410 176.300 -0.011 0.000 1.106 130 D CA -0.095 53.819 54.000 -0.143 0.000 0.905 130 D CB 1.536 42.251 40.800 -0.140 0.000 1.202 130 D HN 0.720 nan 8.370 nan 0.000 0.426 131 E N 0.493 120.701 120.200 0.014 0.000 2.171 131 E HA -0.224 4.133 4.350 0.012 0.000 0.197 131 E C 1.616 178.280 176.600 0.107 0.000 0.997 131 E CA 1.384 57.816 56.400 0.053 0.000 0.810 131 E CB 0.188 29.907 29.700 0.031 0.000 0.738 131 E HN 0.477 nan 8.360 nan 0.000 0.467 132 S N -0.495 115.281 115.700 0.125 0.000 2.399 132 S HA -0.175 4.302 4.470 0.012 0.000 0.231 132 S C 1.499 176.193 174.600 0.157 0.000 1.022 132 S CA 0.886 59.163 58.200 0.127 0.000 0.983 132 S CB -0.607 62.665 63.200 0.121 0.000 0.803 132 S HN 0.391 nan 8.310 nan 0.000 0.480 133 W N 1.643 122.890 121.300 -0.087 0.000 2.519 133 W HA 0.347 5.014 4.660 0.012 0.000 0.266 133 W C 1.762 178.351 176.519 0.115 0.000 1.253 133 W CA -0.116 57.177 57.345 -0.086 0.000 1.274 133 W CB -0.548 28.930 29.460 0.031 0.000 1.114 133 W HN 0.320 nan 8.180 nan 0.000 0.596 134 L N -0.189 121.207 121.223 0.289 0.000 2.585 134 L HA 0.071 4.418 4.340 0.012 0.000 0.226 134 L C 2.148 179.103 176.870 0.141 0.000 1.113 134 L CA 0.268 55.234 54.840 0.210 0.000 0.876 134 L CB -0.429 41.722 42.059 0.154 0.000 1.072 134 L HN -0.128 nan 8.230 nan 0.000 0.468 135 Q N 1.061 120.933 119.800 0.119 0.000 2.389 135 Q HA 0.023 4.370 4.340 0.012 0.000 0.204 135 Q C 0.268 176.317 176.000 0.081 0.000 0.944 135 Q CA 0.611 56.462 55.803 0.079 0.000 0.908 135 Q CB 0.523 29.296 28.738 0.058 0.000 1.002 135 Q HN 0.666 nan 8.270 nan 0.000 0.493 136 E N -2.034 118.237 120.200 0.118 0.000 2.437 136 E HA 0.494 4.851 4.350 0.012 0.000 0.280 136 E C -0.160 176.553 176.600 0.190 0.000 1.044 136 E CA -0.411 56.058 56.400 0.115 0.000 0.826 136 E CB 1.198 30.949 29.700 0.084 0.000 1.358 136 E HN 0.032 nan 8.360 nan 0.000 0.459 137 G N 0.692 109.541 108.800 0.081 0.000 2.697 137 G HA2 -0.289 3.678 3.960 0.012 0.000 0.240 137 G HA3 -0.289 3.678 3.960 0.012 0.000 0.240 137 G C -0.717 174.107 174.900 -0.127 0.000 1.346 137 G CA 0.208 45.278 45.100 -0.050 0.000 0.887 137 G HN 0.718 nan 8.290 nan 0.000 0.569 138 Q N -0.563 119.009 119.800 -0.380 0.000 2.333 138 Q HA 0.625 4.972 4.340 0.012 0.000 0.267 138 Q C -0.932 174.890 176.000 -0.296 0.000 1.012 138 Q CA -0.451 55.212 55.803 -0.234 0.000 0.824 138 Q CB 1.441 30.080 28.738 -0.166 0.000 1.290 138 Q HN 0.600 nan 8.270 nan 0.000 0.449 139 T N 4.839 119.396 114.554 0.004 0.000 2.791 139 T HA 0.464 4.821 4.350 0.012 0.000 0.288 139 T C -0.685 174.122 174.700 0.179 0.000 0.999 139 T CA -0.643 61.559 62.100 0.169 0.000 0.952 139 T CB 0.569 69.687 68.868 0.416 0.000 0.938 139 T HN 0.623 nan 8.240 nan 0.000 0.444 140 R N 2.910 123.503 120.500 0.155 0.000 2.832 140 R HA 0.795 5.142 4.340 0.012 0.000 0.271 140 R C -1.072 175.326 176.300 0.162 0.000 0.996 140 R CA -0.978 55.215 56.100 0.154 0.000 0.977 140 R CB 1.520 31.884 30.300 0.108 0.000 1.168 140 R HN 0.560 nan 8.270 nan 0.000 0.482 141 I N 2.260 122.931 120.570 0.168 0.000 2.460 141 I HA 0.453 4.630 4.170 0.012 0.000 0.298 141 I C -1.089 175.083 176.117 0.091 0.000 0.989 141 I CA -1.288 60.066 61.300 0.090 0.000 1.173 141 I CB 1.411 39.463 38.000 0.086 0.000 1.338 141 I HN 0.620 nan 8.210 nan 0.000 0.456 142 I N 7.086 127.609 120.570 -0.078 0.000 2.447 142 I HA 0.295 4.472 4.170 0.012 0.000 0.287 142 I C -1.310 174.674 176.117 -0.222 0.000 1.023 142 I CA -0.385 60.889 61.300 -0.043 0.000 1.083 142 I CB 1.589 39.569 38.000 -0.033 0.000 1.245 142 I HN 0.394 nan 8.210 nan 0.000 0.434 143 F N 4.549 124.494 119.950 -0.009 0.000 2.332 143 F HA 0.266 4.800 4.527 0.011 0.000 0.368 143 F C 1.310 176.999 175.800 -0.186 0.000 1.110 143 F CA -0.416 57.504 58.000 -0.133 0.000 1.087 143 F CB 0.834 39.723 39.000 -0.185 0.000 1.235 143 F HN 0.462 nan 8.300 nan 0.000 0.470 144 D N 2.365 122.679 120.400 -0.144 0.000 2.264 144 D HA 0.035 4.682 4.640 0.012 0.000 0.208 144 D C 0.971 177.102 176.300 -0.281 0.000 0.966 144 D CA 0.937 54.808 54.000 -0.216 0.000 0.864 144 D CB 0.377 40.992 40.800 -0.308 0.000 0.933 144 D HN 0.622 nan 8.370 nan 0.000 0.499 145 G N -0.547 108.025 108.800 -0.379 0.000 2.505 145 G HA2 0.430 4.397 3.960 0.012 0.000 0.292 145 G HA3 0.430 4.397 3.960 0.012 0.000 0.292 145 G C -1.507 173.135 174.900 -0.430 0.000 1.332 145 G CA -0.440 44.331 45.100 -0.547 0.000 1.286 145 G HN -0.058 nan 8.290 nan 0.000 0.606 146 V N 2.559 122.435 119.914 -0.064 0.000 2.569 146 V HA 0.542 4.669 4.120 0.012 0.000 0.301 146 V C -0.852 175.324 176.094 0.137 0.000 1.044 146 V CA -1.149 61.105 62.300 -0.076 0.000 0.874 146 V CB 1.904 33.382 31.823 -0.576 0.000 1.002 146 V HN 0.718 nan 8.190 nan 0.000 0.424 147 N N 2.481 121.252 118.700 0.118 0.000 2.407 147 N HA 0.336 5.083 4.740 0.012 0.000 0.277 147 N C 0.622 176.071 175.510 -0.102 0.000 0.995 147 N CA 0.115 53.144 53.050 -0.035 0.000 0.903 147 N CB 2.310 40.610 38.487 -0.312 0.000 1.218 147 N HN 0.647 nan 8.380 nan 0.000 0.487 148 S N 1.951 117.630 115.700 -0.035 0.000 2.512 148 S HA 0.578 5.055 4.470 0.012 0.000 0.216 148 S C 0.320 174.988 174.600 0.113 0.000 1.006 148 S CA 0.147 58.377 58.200 0.050 0.000 0.915 148 S CB 0.247 63.499 63.200 0.086 0.000 0.824 148 S HN 0.711 nan 8.310 nan 0.000 0.497 149 A N 0.767 123.668 122.820 0.135 0.000 2.608 149 A HA 0.732 5.059 4.320 0.012 0.000 0.292 149 A C -1.312 176.380 177.584 0.179 0.000 1.066 149 A CA -0.987 51.100 52.037 0.084 0.000 0.676 149 A CB 0.716 19.794 19.000 0.129 0.000 1.277 149 A HN 1.093 nan 8.150 nan 0.000 0.413 150 F N -0.416 119.337 119.950 -0.328 0.000 2.678 150 F HA 0.760 5.294 4.527 0.011 0.000 0.308 150 F C -1.125 174.556 175.800 -0.199 0.000 1.118 150 F CA -0.793 57.112 58.000 -0.159 0.000 0.959 150 F CB 1.190 40.089 39.000 -0.170 0.000 1.305 150 F HN 0.638 nan 8.300 nan 0.000 0.443 151 H N 2.020 121.223 119.070 0.221 0.000 2.499 151 H HA 0.711 5.274 4.556 0.012 0.000 0.340 151 H C -1.430 173.811 175.328 -0.145 0.000 1.148 151 H CA -0.733 55.307 56.048 -0.012 0.000 1.215 151 H CB 2.520 32.270 29.762 -0.020 0.000 1.529 151 H HN 0.805 nan 8.280 nan 0.000 0.510 152 L N 2.823 123.760 121.223 -0.478 0.000 2.385 152 L HA 0.412 4.759 4.340 0.012 0.000 0.273 152 L C -1.654 174.863 176.870 -0.588 0.000 0.990 152 L CA -0.479 54.146 54.840 -0.358 0.000 0.821 152 L CB 1.547 43.293 42.059 -0.522 0.000 1.279 152 L HN 0.504 nan 8.230 nan 0.000 0.412 153 W N 4.336 125.583 121.300 -0.089 0.000 2.844 153 W HA 0.579 5.246 4.660 0.012 0.000 0.340 153 W C -1.135 175.320 176.519 -0.107 0.000 1.093 153 W CA -0.825 56.466 57.345 -0.089 0.000 1.212 153 W CB 2.050 31.495 29.460 -0.024 0.000 1.422 153 W HN 0.589 nan 8.180 nan 0.000 0.515 154 C N 4.811 124.176 119.300 0.108 0.000 2.364 154 C HA 0.295 4.762 4.460 0.012 0.000 0.324 154 C C 0.347 175.456 174.990 0.198 0.000 1.234 154 C CA -0.318 58.768 59.018 0.114 0.000 1.417 154 C CB -0.610 27.125 27.740 -0.008 0.000 2.101 154 C HN 0.803 nan 8.230 nan 0.000 0.466 155 N N 3.520 122.298 118.700 0.129 0.000 2.721 155 N HA -0.191 4.556 4.740 0.012 0.000 0.249 155 N C 0.966 176.541 175.510 0.108 0.000 1.072 155 N CA 2.014 55.120 53.050 0.092 0.000 0.710 155 N CB -1.311 37.241 38.487 0.108 0.000 0.993 155 N HN 1.784 nan 8.380 nan 0.000 0.547 156 G N -1.253 107.605 108.800 0.096 0.000 2.184 156 G HA2 -0.377 3.590 3.960 0.012 0.000 0.264 156 G HA3 -0.377 3.590 3.960 0.012 0.000 0.264 156 G C 0.170 175.230 174.900 0.267 0.000 0.975 156 G CA 0.719 45.868 45.100 0.081 0.000 0.642 156 G HN 0.565 nan 8.290 nan 0.000 0.536 157 R N -1.109 119.616 120.500 0.374 0.000 2.407 157 R HA 0.426 4.773 4.340 0.012 0.000 0.303 157 R C -0.231 176.412 176.300 0.571 0.000 0.981 157 R CA -0.884 55.511 56.100 0.491 0.000 0.905 157 R CB 1.004 31.610 30.300 0.509 0.000 1.099 157 R HN 0.210 nan 8.270 nan 0.000 0.459 158 W N 3.543 125.026 121.300 0.305 0.000 2.253 158 W HA 0.089 4.755 4.660 0.011 0.000 0.322 158 W C 0.050 176.494 176.519 -0.125 0.000 1.342 158 W CA 0.042 57.264 57.345 -0.205 0.000 1.218 158 W CB 0.675 29.996 29.460 -0.232 0.000 1.205 158 W HN 0.325 nan 8.180 nan 0.000 0.551 159 V N 5.287 124.488 119.914 -1.189 0.000 2.743 159 V HA 0.549 4.676 4.120 0.012 0.000 0.237 159 V C 1.043 176.112 176.094 -1.708 0.000 1.113 159 V CA 1.030 62.589 62.300 -1.235 0.000 1.141 159 V CB -0.345 30.764 31.823 -1.190 0.000 0.873 159 V HN 0.802 nan 8.190 nan 0.000 0.486 160 G N -1.794 105.781 108.800 -2.042 0.000 2.427 160 G HA2 0.472 4.439 3.960 0.012 0.000 0.306 160 G HA3 0.472 4.439 3.960 0.012 0.000 0.306 160 G C -2.410 171.999 174.900 -0.820 0.000 1.280 160 G CA -0.222 43.989 45.100 -1.482 0.000 0.837 160 G HN 0.028 nan 8.290 nan 0.000 0.482 161 Y N -0.543 119.467 120.300 -0.483 0.000 2.562 161 Y HA 0.703 5.260 4.550 0.012 0.000 0.345 161 Y C -0.090 175.559 175.900 -0.418 0.000 1.045 161 Y CA -0.055 57.708 58.100 -0.561 0.000 1.028 161 Y CB 2.214 40.498 38.460 -0.293 0.000 1.297 161 Y HN 1.211 nan 8.280 nan 0.000 0.463 162 G N 3.449 111.414 108.800 -1.391 0.000 2.696 162 G HA2 0.586 4.553 3.960 0.012 0.000 0.295 162 G HA3 0.586 4.553 3.960 0.012 0.000 0.295 162 G C -2.115 172.347 174.900 -0.729 0.000 1.398 162 G CA -0.867 43.748 45.100 -0.808 0.000 0.920 162 G HN 0.625 nan 8.290 nan 0.000 0.492 163 Q N -0.367 119.252 119.800 -0.301 0.000 2.552 163 Q HA 0.580 4.927 4.340 0.012 0.000 0.289 163 Q C -1.404 174.605 176.000 0.015 0.000 1.097 163 Q CA -0.808 54.938 55.803 -0.095 0.000 0.812 163 Q CB 2.658 31.386 28.738 -0.016 0.000 1.460 163 Q HN 0.650 nan 8.270 nan 0.000 0.452 164 D N -0.210 120.233 120.400 0.071 0.000 4.303 164 D HA -0.095 4.552 4.640 0.012 0.000 0.230 164 D C -0.497 175.868 176.300 0.108 0.000 1.172 164 D CA 0.457 54.510 54.000 0.089 0.000 1.001 164 D CB -0.661 40.175 40.800 0.061 0.000 0.641 164 D HN 0.528 nan 8.370 nan 0.000 0.296 165 S N 3.024 118.799 115.700 0.125 0.000 2.500 165 S HA -0.081 4.396 4.470 0.012 0.000 0.239 165 S C 1.556 176.290 174.600 0.225 0.000 0.989 165 S CA 0.602 58.902 58.200 0.167 0.000 0.951 165 S CB 0.238 63.492 63.200 0.089 0.000 0.759 165 S HN 0.445 nan 8.310 nan 0.000 0.523 166 R N 0.066 120.657 120.500 0.153 0.000 2.565 166 R HA 0.443 4.790 4.340 0.012 0.000 0.347 166 R C -0.380 175.978 176.300 0.097 0.000 1.010 166 R CA 0.052 56.242 56.100 0.150 0.000 1.126 166 R CB 0.169 30.569 30.300 0.168 0.000 1.331 166 R HN 0.324 nan 8.270 nan 0.000 0.552 167 L N 1.321 122.574 121.223 0.051 0.000 2.350 167 L HA 0.532 4.879 4.340 0.012 0.000 0.260 167 L C -2.378 174.471 176.870 -0.036 0.000 1.015 167 L CA -2.273 52.567 54.840 -0.000 0.000 0.821 167 L CB 2.964 45.017 42.059 -0.011 0.000 1.370 167 L HN -0.198 nan 8.230 nan 0.000 0.416 168 P HA 0.127 nan 4.420 nan 0.000 0.275 168 P C -1.043 176.222 177.300 -0.059 0.000 1.227 168 P CA -0.248 62.806 63.100 -0.078 0.000 0.781 168 P CB 1.223 32.840 31.700 -0.137 0.000 0.906 169 S N 1.879 117.602 115.700 0.038 0.000 2.498 169 S HA 0.312 4.789 4.470 0.012 0.000 0.317 169 S C -0.433 174.131 174.600 -0.060 0.000 1.090 169 S CA -0.611 57.575 58.200 -0.025 0.000 1.089 169 S CB 0.827 64.176 63.200 0.249 0.000 0.997 169 S HN 0.370 nan 8.310 nan 0.000 0.470 170 E N 2.215 122.181 120.200 -0.390 0.000 2.222 170 E HA 0.561 4.918 4.350 0.012 0.000 0.267 170 E C -1.430 174.810 176.600 -0.599 0.000 0.884 170 E CA -0.568 55.678 56.400 -0.257 0.000 0.764 170 E CB 1.727 31.383 29.700 -0.073 0.000 1.169 170 E HN 0.406 nan 8.360 nan 0.000 0.413 171 F N 0.701 120.700 119.950 0.082 0.000 2.578 171 F HA 0.188 4.722 4.527 0.012 0.000 0.311 171 F C -0.004 175.815 175.800 0.031 0.000 1.094 171 F CA -1.108 56.902 58.000 0.016 0.000 0.923 171 F CB 1.709 40.682 39.000 -0.044 0.000 1.230 171 F HN 0.301 nan 8.300 nan 0.000 0.450 172 D N 3.068 123.593 120.400 0.209 0.000 2.317 172 D HA 0.222 4.869 4.640 0.012 0.000 0.252 172 D C 0.268 176.704 176.300 0.228 0.000 1.174 172 D CA 0.280 54.388 54.000 0.180 0.000 0.866 172 D CB 1.040 41.931 40.800 0.151 0.000 1.127 172 D HN 0.577 nan 8.370 nan 0.000 0.467 173 L N 2.861 124.224 121.223 0.233 0.000 2.667 173 L HA 0.039 4.386 4.340 0.012 0.000 0.232 173 L C 2.104 179.218 176.870 0.406 0.000 1.138 173 L CA -0.204 54.817 54.840 0.302 0.000 0.921 173 L CB 0.050 42.245 42.059 0.226 0.000 1.180 173 L HN 0.282 nan 8.230 nan 0.000 0.487 174 S N 1.494 117.373 115.700 0.299 0.000 2.378 174 S HA -0.314 4.163 4.470 0.012 0.000 0.229 174 S C 2.075 176.791 174.600 0.193 0.000 1.052 174 S CA 1.995 60.326 58.200 0.219 0.000 1.084 174 S CB -0.212 63.071 63.200 0.139 0.000 0.950 174 S HN 0.580 nan 8.310 nan 0.000 0.440 175 A N -0.518 122.400 122.820 0.164 0.000 2.206 175 A HA 0.269 4.596 4.320 0.012 0.000 0.211 175 A C 1.410 178.913 177.584 -0.135 0.000 1.158 175 A CA 0.504 52.521 52.037 -0.035 0.000 0.761 175 A CB -0.477 18.409 19.000 -0.190 0.000 0.801 175 A HN 0.491 nan 8.150 nan 0.000 0.473 176 F N -0.701 119.292 119.950 0.072 0.000 2.731 176 F HA 0.359 4.893 4.527 0.012 0.000 0.298 176 F C 0.716 176.553 175.800 0.063 0.000 1.106 176 F CA -0.088 57.953 58.000 0.068 0.000 1.329 176 F CB 0.091 39.139 39.000 0.079 0.000 1.100 176 F HN -0.014 nan 8.300 nan 0.000 0.592 177 L N 0.640 122.022 121.223 0.264 0.000 2.431 177 L HA 0.567 4.914 4.340 0.012 0.000 0.260 177 L C 0.078 176.994 176.870 0.076 0.000 1.098 177 L CA -0.857 54.074 54.840 0.152 0.000 0.800 177 L CB 1.214 43.372 42.059 0.165 0.000 1.210 177 L HN 0.000 nan 8.230 nan 0.000 0.465 178 R N 0.383 120.891 120.500 0.012 0.000 2.799 178 R HA 0.790 5.137 4.340 0.012 0.000 0.270 178 R C -1.192 175.087 176.300 -0.036 0.000 1.010 178 R CA -0.923 55.175 56.100 -0.003 0.000 0.916 178 R CB 1.446 31.736 30.300 -0.017 0.000 1.228 178 R HN 0.544 nan 8.270 nan 0.000 0.469 179 A N 1.185 123.990 122.820 -0.025 0.000 2.531 179 A HA 0.476 4.802 4.320 0.012 0.000 0.236 179 A C 1.161 178.696 177.584 -0.081 0.000 1.062 179 A CA 1.090 53.102 52.037 -0.043 0.000 0.760 179 A CB -0.781 18.206 19.000 -0.021 0.000 0.995 179 A HN 1.423 nan 8.150 nan 0.000 0.501 180 G N 1.648 110.383 108.800 -0.109 0.000 2.527 180 G HA2 -0.204 3.763 3.960 0.012 0.000 0.262 180 G HA3 -0.204 3.763 3.960 0.012 0.000 0.262 180 G C -0.116 174.659 174.900 -0.208 0.000 1.153 180 G CA 0.267 45.287 45.100 -0.133 0.000 0.954 180 G HN 1.044 nan 8.290 nan 0.000 0.552 181 E N 2.046 122.131 120.200 -0.191 0.000 2.344 181 E HA 0.422 4.779 4.350 0.012 0.000 0.270 181 E C -0.071 176.348 176.600 -0.301 0.000 1.021 181 E CA 0.005 56.257 56.400 -0.248 0.000 0.887 181 E CB 0.480 30.083 29.700 -0.163 0.000 0.997 181 E HN 0.434 nan 8.360 nan 0.000 0.429 182 N N 2.374 120.774 118.700 -0.500 0.000 2.416 182 N HA 0.367 5.114 4.740 0.012 0.000 0.276 182 N C -1.100 174.181 175.510 -0.382 0.000 1.261 182 N CA -0.740 52.020 53.050 -0.484 0.000 0.790 182 N CB 2.527 40.548 38.487 -0.776 0.000 1.554 182 N HN 0.297 nan 8.380 nan 0.000 0.481 183 R N 1.457 121.895 120.500 -0.104 0.000 2.532 183 R HA 0.496 4.843 4.340 0.012 0.000 0.297 183 R C -1.136 175.247 176.300 0.139 0.000 0.984 183 R CA -0.500 55.619 56.100 0.032 0.000 0.884 183 R CB 1.100 31.375 30.300 -0.041 0.000 1.182 183 R HN 0.484 nan 8.270 nan 0.000 0.442 184 L N 3.007 124.352 121.223 0.203 0.000 2.357 184 L HA 0.728 5.075 4.340 0.012 0.000 0.273 184 L C -0.162 176.766 176.870 0.096 0.000 1.080 184 L CA -0.889 54.057 54.840 0.176 0.000 0.803 184 L CB 1.807 43.955 42.059 0.149 0.000 1.174 184 L HN 0.743 nan 8.230 nan 0.000 0.443 185 A N 2.847 125.736 122.820 0.115 0.000 2.353 185 A HA 0.737 5.064 4.320 0.012 0.000 0.299 185 A C -1.061 176.783 177.584 0.434 0.000 1.089 185 A CA -0.441 51.576 52.037 -0.034 0.000 0.736 185 A CB 1.577 19.976 19.000 -1.001 0.000 1.195 185 A HN 0.372 nan 8.150 nan 0.000 0.447 186 V N 3.176 123.519 119.914 0.715 0.000 2.443 186 V HA 0.479 4.606 4.120 0.012 0.000 0.293 186 V C -0.122 176.488 176.094 0.860 0.000 1.021 186 V CA -0.292 62.423 62.300 0.692 0.000 0.848 186 V CB 1.554 33.607 31.823 0.383 0.000 0.998 186 V HN 0.963 nan 8.190 nan 0.000 0.424 187 M N 5.944 126.061 119.600 0.862 0.000 2.055 187 M HA 0.546 5.033 4.480 0.012 0.000 0.347 187 M C -1.424 175.130 176.300 0.423 0.000 1.123 187 M CA -0.369 55.284 55.300 0.588 0.000 1.035 187 M CB 1.004 34.012 32.600 0.680 0.000 1.484 187 M HN 0.492 nan 8.290 nan 0.000 0.428 188 V N 6.671 126.791 119.914 0.343 0.000 2.370 188 V HA 0.373 4.500 4.120 0.012 0.000 0.279 188 V C -0.204 176.047 176.094 0.261 0.000 1.029 188 V CA -0.678 61.826 62.300 0.340 0.000 0.870 188 V CB 1.387 33.503 31.823 0.489 0.000 0.984 188 V HN 0.774 nan 8.190 nan 0.000 0.451 189 L N 4.872 126.185 121.223 0.150 0.000 2.292 189 L HA 0.504 4.851 4.340 0.012 0.000 0.284 189 L C 1.559 178.460 176.870 0.051 0.000 1.065 189 L CA -0.141 54.719 54.840 0.033 0.000 0.806 189 L CB 0.870 42.853 42.059 -0.127 0.000 1.175 189 L HN 0.608 nan 8.230 nan 0.000 0.431 190 R N 2.628 123.108 120.500 -0.033 0.000 2.075 190 R HA -0.037 4.310 4.340 0.012 0.000 0.232 190 R C -0.396 175.616 176.300 -0.481 0.000 1.126 190 R CA 1.099 56.952 56.100 -0.411 0.000 0.963 190 R CB 0.212 30.093 30.300 -0.699 0.000 0.858 190 R HN 0.588 nan 8.270 nan 0.000 0.435 191 W N 0.313 121.681 121.300 0.112 0.000 2.666 191 W HA 0.429 5.096 4.660 0.011 0.000 0.334 191 W C -0.378 176.266 176.519 0.209 0.000 1.051 191 W CA -0.865 56.555 57.345 0.126 0.000 1.224 191 W CB 1.826 31.363 29.460 0.128 0.000 1.405 191 W HN 0.017 nan 8.180 nan 0.000 0.513 192 S N -1.024 114.976 115.700 0.501 0.000 2.752 192 S HA 0.219 4.696 4.470 0.012 0.000 0.284 192 S C 0.121 174.992 174.600 0.451 0.000 1.189 192 S CA -0.440 58.070 58.200 0.516 0.000 0.835 192 S CB 1.175 64.655 63.200 0.468 0.000 1.192 192 S HN 0.609 nan 8.310 nan 0.000 0.506 193 D N 0.330 120.994 120.400 0.440 0.000 2.263 193 D HA 0.076 4.723 4.640 0.012 0.000 0.208 193 D C 1.734 178.350 176.300 0.527 0.000 0.971 193 D CA 1.159 55.461 54.000 0.504 0.000 0.867 193 D CB -0.715 40.256 40.800 0.284 0.000 0.929 193 D HN 0.694 nan 8.370 nan 0.000 0.492 194 G N 0.032 109.061 108.800 0.382 0.000 2.471 194 G HA2 -0.235 3.732 3.960 0.012 0.000 0.219 194 G HA3 -0.235 3.732 3.960 0.012 0.000 0.219 194 G C 1.678 176.771 174.900 0.321 0.000 1.125 194 G CA 0.623 45.921 45.100 0.331 0.000 0.775 194 G HN 0.301 nan 8.290 nan 0.000 0.548 195 S N -0.035 115.846 115.700 0.300 0.000 2.419 195 S HA -0.123 4.354 4.470 0.012 0.000 0.235 195 S C 1.881 176.589 174.600 0.180 0.000 1.019 195 S CA 0.779 59.119 58.200 0.233 0.000 0.982 195 S CB -0.404 62.930 63.200 0.222 0.000 0.789 195 S HN 0.565 nan 8.310 nan 0.000 0.490 196 Y N 1.029 121.458 120.300 0.214 0.000 2.421 196 Y HA 0.084 4.641 4.550 0.012 0.000 0.292 196 Y C 1.576 177.585 175.900 0.182 0.000 1.136 196 Y CA 0.627 58.779 58.100 0.086 0.000 1.255 196 Y CB -0.159 38.205 38.460 -0.159 0.000 0.991 196 Y HN 0.197 nan 8.280 nan 0.000 0.552 197 L N -0.354 121.069 121.223 0.333 0.000 2.667 197 L HA 0.139 4.486 4.340 0.012 0.000 0.232 197 L C -0.006 177.003 176.870 0.231 0.000 1.138 197 L CA 0.374 55.364 54.840 0.249 0.000 0.921 197 L CB 0.121 42.331 42.059 0.251 0.000 1.180 197 L HN 0.126 nan 8.230 nan 0.000 0.487 198 E N -0.166 120.182 120.200 0.246 0.000 3.646 198 E HA 0.038 4.395 4.350 0.012 0.000 0.211 198 E C -0.461 176.240 176.600 0.169 0.000 1.034 198 E CA -0.074 56.453 56.400 0.211 0.000 1.341 198 E CB 0.490 30.307 29.700 0.194 0.000 1.202 198 E HN 0.026 nan 8.360 nan 0.000 0.447 199 D N 1.145 121.601 120.400 0.094 0.000 2.690 199 D HA 0.026 4.673 4.640 0.012 0.000 0.236 199 D C -0.195 176.091 176.300 -0.022 0.000 1.218 199 D CA -0.076 53.864 54.000 -0.102 0.000 0.829 199 D CB 0.138 40.610 40.800 -0.547 0.000 1.009 199 D HN 0.071 nan 8.370 nan 0.000 0.482 200 Q N 0.369 120.253 119.800 0.139 0.000 2.421 200 Q HA 0.122 4.469 4.340 0.012 0.000 0.255 200 Q C -0.122 175.999 176.000 0.203 0.000 1.013 200 Q CA 0.022 55.977 55.803 0.254 0.000 0.895 200 Q CB 0.619 29.658 28.738 0.501 0.000 1.271 200 Q HN 0.060 nan 8.270 nan 0.000 0.460 201 D N 2.912 123.461 120.400 0.247 0.000 2.441 201 D HA 0.169 4.816 4.640 0.012 0.000 0.243 201 D C -0.787 175.666 176.300 0.255 0.000 1.257 201 D CA 0.196 54.319 54.000 0.205 0.000 1.027 201 D CB -0.432 40.487 40.800 0.199 0.000 1.084 201 D HN 0.491 nan 8.370 nan 0.000 0.514 202 M N 0.430 120.141 119.600 0.187 0.000 3.012 202 M HA 0.375 4.862 4.480 0.012 0.000 0.272 202 M C -1.374 175.011 176.300 0.141 0.000 1.187 202 M CA -1.152 54.199 55.300 0.084 0.000 0.813 202 M CB 1.020 33.596 32.600 -0.039 0.000 1.626 202 M HN -0.079 nan 8.290 nan 0.000 0.507 203 W N 1.976 123.366 121.300 0.150 0.000 2.193 203 W HA 0.338 5.005 4.660 0.012 0.000 0.338 203 W C 0.252 176.794 176.519 0.038 0.000 1.310 203 W CA 0.009 57.435 57.345 0.134 0.000 1.243 203 W CB 0.407 29.890 29.460 0.038 0.000 1.165 203 W HN 0.293 nan 8.180 nan 0.000 0.566 204 R N 4.831 125.506 120.500 0.291 0.000 2.204 204 R HA 0.409 4.756 4.340 0.012 0.000 0.341 204 R C -0.160 176.143 176.300 0.005 0.000 1.035 204 R CA -0.214 55.972 56.100 0.144 0.000 0.887 204 R CB 0.174 30.622 30.300 0.247 0.000 1.114 204 R HN 0.563 nan 8.270 nan 0.000 0.473 205 M N 0.229 119.725 119.600 -0.173 0.000 2.739 205 M HA 0.529 5.016 4.480 0.012 0.000 0.284 205 M C -0.005 175.950 176.300 -0.575 0.000 1.103 205 M CA -0.839 54.239 55.300 -0.370 0.000 0.809 205 M CB 2.128 34.510 32.600 -0.363 0.000 1.708 205 M HN 0.618 nan 8.290 nan 0.000 0.481 206 S N -1.250 113.980 115.700 -0.783 0.000 2.587 206 S HA 0.932 5.409 4.470 0.012 0.000 0.269 206 S C -0.640 173.472 174.600 -0.814 0.000 1.154 206 S CA -0.179 57.489 58.200 -0.888 0.000 0.824 206 S CB 1.720 64.239 63.200 -1.135 0.000 1.118 206 S HN 1.490 nan 8.310 nan 0.000 0.462 207 G N 0.072 108.648 108.800 -0.372 0.000 2.331 207 G HA2 0.182 4.149 3.960 0.012 0.000 0.402 207 G HA3 0.182 4.149 3.960 0.012 0.000 0.402 207 G C -1.485 173.427 174.900 0.021 0.000 1.275 207 G CA -0.595 44.580 45.100 0.125 0.000 1.003 207 G HN 1.182 nan 8.290 nan 0.000 0.500 208 I N 2.068 122.490 120.570 -0.247 0.000 2.276 208 I HA 0.289 4.466 4.170 0.012 0.000 0.290 208 I C 1.077 177.048 176.117 -0.243 0.000 1.109 208 I CA -0.232 60.819 61.300 -0.415 0.000 1.229 208 I CB -0.107 37.376 38.000 -0.861 0.000 1.452 208 I HN 0.517 nan 8.210 nan 0.000 0.497 209 F N 4.388 124.181 119.950 -0.261 0.000 2.695 209 F HA 0.462 4.996 4.527 0.011 0.000 0.303 209 F C 0.677 176.390 175.800 -0.145 0.000 1.091 209 F CA -0.539 57.343 58.000 -0.198 0.000 1.300 209 F CB 0.126 39.014 39.000 -0.186 0.000 1.071 209 F HN 0.133 nan 8.300 nan 0.000 0.578 210 R N 0.477 120.500 120.500 -0.796 0.000 2.930 210 R HA 0.254 4.601 4.340 0.012 0.000 0.257 210 R C -0.752 175.319 176.300 -0.381 0.000 1.107 210 R CA -1.170 54.589 56.100 -0.569 0.000 0.999 210 R CB 0.734 30.634 30.300 -0.668 0.000 1.209 210 R HN -0.030 nan 8.270 nan 0.000 0.486 211 D N 0.693 120.919 120.400 -0.291 0.000 2.419 211 D HA 0.115 4.762 4.640 0.012 0.000 0.236 211 D C -0.487 175.659 176.300 -0.257 0.000 1.165 211 D CA 0.367 54.237 54.000 -0.217 0.000 0.882 211 D CB 0.761 41.470 40.800 -0.152 0.000 1.201 211 D HN -0.011 nan 8.370 nan 0.000 0.443 212 V N 1.213 120.985 119.914 -0.237 0.000 2.540 212 V HA 0.529 4.656 4.120 0.012 0.000 0.302 212 V C -0.114 175.846 176.094 -0.223 0.000 1.035 212 V CA -0.511 61.588 62.300 -0.336 0.000 0.873 212 V CB 1.792 33.400 31.823 -0.357 0.000 0.992 212 V HN 0.613 nan 8.190 nan 0.000 0.428 213 S N 4.372 119.927 115.700 -0.243 0.000 2.651 213 S HA 0.839 5.315 4.470 0.012 0.000 0.279 213 S C -1.345 173.203 174.600 -0.087 0.000 1.148 213 S CA -0.719 57.410 58.200 -0.118 0.000 0.837 213 S CB 2.224 65.391 63.200 -0.054 0.000 1.138 213 S HN 0.442 nan 8.310 nan 0.000 0.478 214 L N 1.839 123.079 121.223 0.027 0.000 2.356 214 L HA 0.728 5.075 4.340 0.012 0.000 0.277 214 L C -1.547 175.512 176.870 0.316 0.000 0.996 214 L CA -0.596 54.338 54.840 0.156 0.000 0.822 214 L CB 1.552 43.707 42.059 0.161 0.000 1.256 214 L HN 0.697 nan 8.230 nan 0.000 0.413 215 L N 4.404 125.783 121.223 0.259 0.000 2.356 215 L HA 0.490 4.837 4.340 0.012 0.000 0.277 215 L C -1.040 175.828 176.870 -0.004 0.000 0.996 215 L CA -0.191 54.732 54.840 0.137 0.000 0.822 215 L CB 1.235 43.340 42.059 0.077 0.000 1.256 215 L HN 0.612 nan 8.230 nan 0.000 0.413 216 H N 5.377 124.199 119.070 -0.412 0.000 2.488 216 H HA 0.459 5.022 4.556 0.012 0.000 0.322 216 H C -1.204 173.911 175.328 -0.355 0.000 1.078 216 H CA -0.500 55.194 56.048 -0.590 0.000 1.260 216 H CB 1.089 29.982 29.762 -1.448 0.000 1.425 216 H HN 0.528 nan 8.280 nan 0.000 0.471 217 K N 5.379 125.401 120.400 -0.631 0.000 2.328 217 K HA 0.383 4.710 4.320 0.012 0.000 0.246 217 K C -2.675 173.678 176.600 -0.411 0.000 0.955 217 K CA -2.046 54.014 56.287 -0.378 0.000 0.817 217 K CB 2.077 34.422 32.500 -0.258 0.000 1.208 217 K HN 0.485 nan 8.250 nan 0.000 0.432 218 P HA 0.148 nan 4.420 nan 0.000 0.274 218 P C 0.520 177.747 177.300 -0.120 0.000 1.246 218 P CA -0.150 62.882 63.100 -0.115 0.000 0.795 218 P CB 0.487 32.156 31.700 -0.053 0.000 1.006 219 T N -0.938 113.572 114.554 -0.073 0.000 2.720 219 T HA -0.063 4.294 4.350 0.012 0.000 0.268 219 T C 0.605 175.269 174.700 -0.060 0.000 1.037 219 T CA 1.642 63.707 62.100 -0.059 0.000 1.144 219 T CB -0.613 68.238 68.868 -0.027 0.000 0.864 219 T HN 0.433 nan 8.240 nan 0.000 0.444 220 T N 3.642 118.166 114.554 -0.049 0.000 2.738 220 T HA 0.465 4.822 4.350 0.012 0.000 0.298 220 T C -0.245 174.413 174.700 -0.069 0.000 0.962 220 T CA -0.641 61.422 62.100 -0.061 0.000 0.972 220 T CB 0.710 69.558 68.868 -0.034 0.000 0.928 220 T HN 0.478 nan 8.240 nan 0.000 0.474 221 Q N 2.526 122.269 119.800 -0.095 0.000 2.565 221 Q HA 0.597 4.944 4.340 0.012 0.000 0.294 221 Q C -1.306 174.634 176.000 -0.101 0.000 1.005 221 Q CA -1.148 54.589 55.803 -0.109 0.000 0.771 221 Q CB 1.316 29.968 28.738 -0.143 0.000 1.486 221 Q HN 0.458 nan 8.270 nan 0.000 0.422 222 I N 2.701 123.190 120.570 -0.134 0.000 2.379 222 I HA 0.023 4.200 4.170 0.012 0.000 0.290 222 I C 0.807 176.856 176.117 -0.114 0.000 1.063 222 I CA 0.026 61.274 61.300 -0.087 0.000 1.351 222 I CB 1.125 39.030 38.000 -0.158 0.000 1.410 222 I HN 0.865 nan 8.210 nan 0.000 0.505 223 S N 2.797 118.535 115.700 0.063 0.000 2.517 223 S HA 0.184 4.661 4.470 0.012 0.000 0.214 223 S C 0.198 175.025 174.600 0.378 0.000 0.991 223 S CA -0.228 58.077 58.200 0.175 0.000 0.906 223 S CB 0.200 63.451 63.200 0.086 0.000 0.789 223 S HN 0.717 nan 8.310 nan 0.000 0.513 224 D N -0.340 120.296 120.400 0.393 0.000 2.728 224 D HA 0.481 5.128 4.640 0.012 0.000 0.249 224 D C -1.914 174.602 176.300 0.361 0.000 1.225 224 D CA -0.729 53.493 54.000 0.370 0.000 0.748 224 D CB 1.339 42.249 40.800 0.185 0.000 1.326 224 D HN 0.201 nan 8.370 nan 0.000 0.426 225 F N -0.588 119.470 119.950 0.181 0.000 2.650 225 F HA 0.606 5.140 4.527 0.012 0.000 0.310 225 F C -1.552 174.372 175.800 0.207 0.000 1.112 225 F CA -0.787 57.245 58.000 0.053 0.000 0.986 225 F CB 1.277 40.332 39.000 0.091 0.000 1.285 225 F HN 0.247 nan 8.300 nan 0.000 0.440 226 H N 2.048 121.192 119.070 0.122 0.000 2.609 226 H HA 0.717 5.280 4.556 0.012 0.000 0.344 226 H C -1.293 174.076 175.328 0.068 0.000 1.040 226 H CA -1.467 54.582 56.048 0.003 0.000 1.216 226 H CB 2.592 32.338 29.762 -0.026 0.000 1.529 226 H HN 0.602 nan 8.280 nan 0.000 0.519 227 V N 2.510 122.519 119.914 0.159 0.000 2.417 227 V HA 0.648 4.775 4.120 0.012 0.000 0.291 227 V C -0.150 175.938 176.094 -0.010 0.000 1.024 227 V CA -0.508 61.839 62.300 0.080 0.000 0.861 227 V CB 1.254 33.131 31.823 0.091 0.000 0.985 227 V HN 0.925 nan 8.190 nan 0.000 0.436 228 A N 3.375 126.166 122.820 -0.049 0.000 2.413 228 A HA 0.954 5.281 4.320 0.012 0.000 0.307 228 A C -0.164 177.315 177.584 -0.175 0.000 1.087 228 A CA -0.520 51.468 52.037 -0.083 0.000 0.750 228 A CB 2.038 21.013 19.000 -0.042 0.000 1.296 228 A HN 0.905 nan 8.150 nan 0.000 0.423 229 T N -0.517 113.917 114.554 -0.201 0.000 2.881 229 T HA 0.704 5.061 4.350 0.012 0.000 0.291 229 T C -0.492 174.003 174.700 -0.342 0.000 0.990 229 T CA -0.792 61.096 62.100 -0.354 0.000 0.976 229 T CB 0.943 69.494 68.868 -0.528 0.000 0.970 229 T HN 1.029 nan 8.240 nan 0.000 0.438 230 R N 1.872 122.075 120.500 -0.495 0.000 2.803 230 R HA 0.855 5.202 4.340 0.012 0.000 0.276 230 R C -1.673 174.209 176.300 -0.697 0.000 0.978 230 R CA -0.974 54.901 56.100 -0.376 0.000 0.939 230 R CB 1.352 31.575 30.300 -0.128 0.000 1.179 230 R HN 0.464 nan 8.270 nan 0.000 0.472 231 F N 0.342 120.277 119.950 -0.025 0.000 2.631 231 F HA 0.385 4.918 4.527 0.010 0.000 0.328 231 F C 0.268 175.939 175.800 -0.215 0.000 1.067 231 F CA -1.025 56.902 58.000 -0.122 0.000 0.969 231 F CB 1.363 40.181 39.000 -0.303 0.000 1.332 231 F HN 0.711 nan 8.300 nan 0.000 0.490 232 N N 0.008 118.690 118.700 -0.030 0.000 2.366 232 N HA 0.053 4.800 4.740 0.012 0.000 0.277 232 N C 0.488 175.862 175.510 -0.227 0.000 1.275 232 N CA -0.077 52.919 53.050 -0.091 0.000 0.964 232 N CB 0.026 38.486 38.487 -0.044 0.000 1.167 232 N HN 0.671 nan 8.380 nan 0.000 0.568 233 D N -1.093 119.222 120.400 -0.143 0.000 2.158 233 D HA -0.247 4.400 4.640 0.012 0.000 0.197 233 D C 0.263 176.475 176.300 -0.146 0.000 0.995 233 D CA 1.690 55.607 54.000 -0.139 0.000 0.846 233 D CB -0.616 40.160 40.800 -0.040 0.000 0.941 233 D HN 0.741 nan 8.370 nan 0.000 0.456 234 D N -1.664 118.700 120.400 -0.061 0.000 2.501 234 D HA 0.052 4.699 4.640 0.012 0.000 0.226 234 D C 0.042 176.487 176.300 0.242 0.000 1.198 234 D CA -1.024 53.047 54.000 0.119 0.000 0.830 234 D CB -1.105 39.765 40.800 0.117 0.000 1.014 234 D HN 0.202 nan 8.370 nan 0.000 0.496 235 F N 0.306 120.315 119.950 0.100 0.000 3.034 235 F HA -0.298 4.236 4.527 0.011 0.000 0.286 235 F C 1.640 177.522 175.800 0.136 0.000 0.804 235 F CA 0.868 58.932 58.000 0.107 0.000 1.161 235 F CB -2.454 36.503 39.000 -0.072 0.000 1.317 235 F HN 0.246 nan 8.300 nan 0.000 0.453 236 S N -1.219 114.597 115.700 0.193 0.000 2.548 236 S HA 0.308 4.785 4.470 0.012 0.000 0.215 236 S C 0.635 175.299 174.600 0.107 0.000 0.976 236 S CA -0.081 58.202 58.200 0.139 0.000 0.908 236 S CB 0.451 63.706 63.200 0.092 0.000 0.781 236 S HN 0.443 nan 8.310 nan 0.000 0.519 237 R N -0.018 120.553 120.500 0.119 0.000 2.698 237 R HA 0.811 5.158 4.340 0.012 0.000 0.275 237 R C -1.304 175.037 176.300 0.069 0.000 1.001 237 R CA -0.350 55.785 56.100 0.058 0.000 0.896 237 R CB 2.260 32.566 30.300 0.010 0.000 1.218 237 R HN 0.253 nan 8.270 nan 0.000 0.462 238 A N 1.320 124.118 122.820 -0.036 0.000 2.569 238 A HA 0.779 5.106 4.320 0.012 0.000 0.290 238 A C -1.463 176.042 177.584 -0.132 0.000 1.136 238 A CA -0.642 51.286 52.037 -0.180 0.000 0.710 238 A CB 2.139 21.009 19.000 -0.217 0.000 1.303 238 A HN 0.325 nan 8.150 nan 0.000 0.413 239 V N 1.123 120.932 119.914 -0.176 0.000 2.525 239 V HA 0.427 4.554 4.120 0.012 0.000 0.299 239 V C -0.710 175.319 176.094 -0.108 0.000 1.034 239 V CA -0.321 61.917 62.300 -0.104 0.000 0.863 239 V CB 1.459 33.220 31.823 -0.103 0.000 0.999 239 V HN 0.823 nan 8.190 nan 0.000 0.423 240 L N 4.652 125.852 121.223 -0.038 0.000 2.276 240 L HA 0.630 4.977 4.340 0.012 0.000 0.286 240 L C 0.012 176.837 176.870 -0.075 0.000 1.061 240 L CA 0.135 54.923 54.840 -0.087 0.000 0.807 240 L CB 1.137 43.175 42.059 -0.036 0.000 1.177 240 L HN 0.834 nan 8.230 nan 0.000 0.429 241 E N 4.615 124.766 120.200 -0.082 0.000 2.199 241 E HA 0.676 5.033 4.350 0.012 0.000 0.265 241 E C -1.606 174.979 176.600 -0.025 0.000 0.882 241 E CA -0.853 55.517 56.400 -0.050 0.000 0.759 241 E CB 1.782 31.451 29.700 -0.051 0.000 1.148 241 E HN 0.708 nan 8.360 nan 0.000 0.412 242 A N 4.615 127.427 122.820 -0.013 0.000 2.311 242 A HA 0.321 4.648 4.320 0.012 0.000 0.306 242 A C -0.719 176.865 177.584 0.001 0.000 1.189 242 A CA -0.681 51.372 52.037 0.026 0.000 0.791 242 A CB 1.103 20.123 19.000 0.033 0.000 1.172 242 A HN 0.748 nan 8.150 nan 0.000 0.481 243 E N 2.652 122.853 120.200 0.001 0.000 2.174 243 E HA 0.531 4.888 4.350 0.012 0.000 0.282 243 E C -1.332 175.222 176.600 -0.077 0.000 0.992 243 E CA -0.357 55.998 56.400 -0.075 0.000 0.803 243 E CB 1.115 30.731 29.700 -0.141 0.000 1.090 243 E HN 0.378 nan 8.360 nan 0.000 0.396 244 V N 4.977 124.862 119.914 -0.047 0.000 2.495 244 V HA 0.274 4.401 4.120 0.012 0.000 0.298 244 V C -0.415 175.743 176.094 0.107 0.000 1.031 244 V CA -0.806 61.518 62.300 0.040 0.000 0.871 244 V CB 1.626 33.456 31.823 0.011 0.000 0.988 244 V HN 0.729 nan 8.190 nan 0.000 0.432 245 Q N 4.388 124.262 119.800 0.123 0.000 2.309 245 Q HA 0.811 5.158 4.340 0.012 0.000 0.264 245 Q C -0.795 175.289 176.000 0.140 0.000 1.008 245 Q CA -0.871 55.011 55.803 0.131 0.000 0.853 245 Q CB 2.613 31.361 28.738 0.017 0.000 1.314 245 Q HN 0.811 nan 8.270 nan 0.000 0.448 246 M N -0.749 118.863 119.600 0.020 0.000 2.724 246 M HA 0.759 5.246 4.480 0.012 0.000 0.310 246 M C -1.180 175.038 176.300 -0.136 0.000 1.217 246 M CA -0.545 54.677 55.300 -0.130 0.000 0.894 246 M CB 1.578 33.896 32.600 -0.469 0.000 1.719 246 M HN 0.514 nan 8.290 nan 0.000 0.479 247 C N 0.560 119.787 119.300 -0.122 0.000 2.802 247 C HA 1.020 5.487 4.460 0.012 0.000 0.307 247 C C 0.600 175.522 174.990 -0.115 0.000 1.222 247 C CA 0.694 59.657 59.018 -0.093 0.000 1.580 247 C CB 1.073 28.784 27.740 -0.049 0.000 2.119 247 C HN 1.379 nan 8.230 nan 0.000 0.479 248 G N 1.679 110.420 108.800 -0.099 0.000 2.337 248 G HA2 -0.025 3.942 3.960 0.012 0.000 0.197 248 G HA3 -0.025 3.942 3.960 0.012 0.000 0.197 248 G C -0.778 174.059 174.900 -0.104 0.000 1.238 248 G CA -0.355 44.691 45.100 -0.090 0.000 1.119 248 G HN 0.904 nan 8.290 nan 0.000 0.514 249 E N 0.643 120.790 120.200 -0.090 0.000 1.944 249 E HA 0.367 4.724 4.350 0.012 0.000 0.272 249 E C 0.208 176.713 176.600 -0.160 0.000 1.195 249 E CA -0.361 55.986 56.400 -0.088 0.000 0.926 249 E CB -0.065 29.618 29.700 -0.028 0.000 1.051 249 E HN 0.429 nan 8.360 nan 0.000 0.404 250 L N 5.741 126.852 121.223 -0.188 0.000 2.361 250 L HA 0.297 4.644 4.340 0.012 0.000 0.278 250 L C -0.056 176.656 176.870 -0.264 0.000 1.113 250 L CA 0.003 54.691 54.840 -0.254 0.000 0.849 250 L CB 0.210 42.148 42.059 -0.200 0.000 1.155 250 L HN 0.538 nan 8.230 nan 0.000 0.452 251 R N 2.593 122.853 120.500 -0.400 0.000 2.707 251 R HA 0.181 4.528 4.340 0.012 0.000 0.272 251 R C -0.287 175.699 176.300 -0.523 0.000 1.011 251 R CA -0.826 54.960 56.100 -0.524 0.000 0.893 251 R CB 1.321 30.998 30.300 -1.039 0.000 1.233 251 R HN 0.504 nan 8.270 nan 0.000 0.464 252 D N 0.930 121.134 120.400 -0.327 0.000 2.309 252 D HA -0.135 4.512 4.640 0.012 0.000 0.212 252 D C 1.470 177.703 176.300 -0.111 0.000 0.968 252 D CA 1.527 55.432 54.000 -0.157 0.000 0.882 252 D CB 0.101 40.867 40.800 -0.057 0.000 0.918 252 D HN 0.539 nan 8.370 nan 0.000 0.503 253 Y N -0.254 120.058 120.300 0.021 0.000 2.546 253 Y HA 0.265 4.822 4.550 0.012 0.000 0.287 253 Y C 0.769 176.680 175.900 0.018 0.000 1.158 253 Y CA -0.501 57.610 58.100 0.019 0.000 1.307 253 Y CB -0.937 37.534 38.460 0.018 0.000 1.036 253 Y HN -0.195 nan 8.280 nan 0.000 0.532 254 L N 2.422 123.621 121.223 -0.039 0.000 2.436 254 L HA 0.371 4.718 4.340 0.012 0.000 0.265 254 L C 0.180 177.095 176.870 0.076 0.000 1.168 254 L CA -0.275 54.637 54.840 0.120 0.000 0.815 254 L CB 0.528 42.644 42.059 0.095 0.000 1.109 254 L HN 0.124 nan 8.230 nan 0.000 0.462 255 R N 1.433 121.877 120.500 -0.094 0.000 2.764 255 R HA 0.668 5.015 4.340 0.012 0.000 0.270 255 R C -1.578 174.437 176.300 -0.475 0.000 1.014 255 R CA -0.803 55.088 56.100 -0.349 0.000 0.904 255 R CB 2.008 31.975 30.300 -0.554 0.000 1.236 255 R HN 0.264 nan 8.270 nan 0.000 0.466 256 V N 0.805 120.456 119.914 -0.438 0.000 2.588 256 V HA 0.501 4.628 4.120 0.012 0.000 0.304 256 V C -0.368 175.679 176.094 -0.078 0.000 1.042 256 V CA -0.551 61.592 62.300 -0.263 0.000 0.877 256 V CB 2.305 33.925 31.823 -0.338 0.000 0.996 256 V HN 0.705 nan 8.190 nan 0.000 0.425 257 T N 4.160 118.793 114.554 0.131 0.000 2.786 257 T HA 0.561 4.918 4.350 0.012 0.000 0.283 257 T C -0.549 174.177 174.700 0.044 0.000 0.992 257 T CA -0.289 61.894 62.100 0.138 0.000 0.954 257 T CB 1.454 70.442 68.868 0.199 0.000 0.934 257 T HN 0.336 nan 8.240 nan 0.000 0.440 258 V N 4.324 124.241 119.914 0.005 0.000 2.417 258 V HA 0.636 4.763 4.120 0.012 0.000 0.291 258 V C 0.034 176.138 176.094 0.017 0.000 1.024 258 V CA -0.711 61.588 62.300 -0.002 0.000 0.861 258 V CB 1.635 33.444 31.823 -0.025 0.000 0.985 258 V HN 1.042 nan 8.190 nan 0.000 0.436 259 S N 5.368 121.109 115.700 0.068 0.000 2.513 259 S HA 0.847 5.324 4.470 0.012 0.000 0.299 259 S C -1.063 173.602 174.600 0.108 0.000 1.087 259 S CA -0.785 57.445 58.200 0.049 0.000 1.012 259 S CB 2.172 65.456 63.200 0.139 0.000 1.044 259 S HN 0.512 nan 8.310 nan 0.000 0.485 260 L N 2.434 123.617 121.223 -0.067 0.000 2.333 260 L HA 0.775 5.122 4.340 0.012 0.000 0.280 260 L C -1.982 174.843 176.870 -0.076 0.000 1.004 260 L CA -0.290 54.586 54.840 0.059 0.000 0.820 260 L CB 0.760 42.840 42.059 0.036 0.000 1.247 260 L HN 0.877 nan 8.230 nan 0.000 0.416 261 W N 3.749 125.155 121.300 0.176 0.000 2.736 261 W HA 0.589 5.256 4.660 0.012 0.000 0.335 261 W C -0.441 176.202 176.519 0.207 0.000 1.059 261 W CA -0.472 56.962 57.345 0.149 0.000 1.226 261 W CB 1.395 30.890 29.460 0.059 0.000 1.416 261 W HN 0.350 nan 8.180 nan 0.000 0.505 262 Q N 2.440 122.425 119.800 0.310 0.000 2.413 262 Q HA 0.445 4.792 4.340 0.012 0.000 0.258 262 Q C 0.679 176.739 176.000 0.100 0.000 1.037 262 Q CA 0.386 56.227 55.803 0.063 0.000 0.764 262 Q CB 1.099 29.809 28.738 -0.048 0.000 1.217 262 Q HN 0.817 nan 8.270 nan 0.000 0.490 263 G N 3.384 112.234 108.800 0.083 0.000 2.574 263 G HA2 -0.361 3.605 3.960 0.012 0.000 0.286 263 G HA3 -0.361 3.605 3.960 0.012 0.000 0.286 263 G C 0.323 175.330 174.900 0.178 0.000 1.212 263 G CA 0.408 45.557 45.100 0.082 0.000 0.979 263 G HN 0.726 nan 8.290 nan 0.000 0.557 264 E N 0.797 121.092 120.200 0.158 0.000 2.494 264 E HA 0.206 4.563 4.350 0.012 0.000 0.193 264 E C 0.357 177.194 176.600 0.396 0.000 1.074 264 E CA 0.556 57.091 56.400 0.225 0.000 0.867 264 E CB 0.097 29.859 29.700 0.104 0.000 0.924 264 E HN 0.324 nan 8.360 nan 0.000 0.502 265 T N 0.893 115.637 114.554 0.316 0.000 2.794 265 T HA 0.139 4.496 4.350 0.012 0.000 0.280 265 T C -0.362 174.318 174.700 -0.033 0.000 0.987 265 T CA -0.516 61.676 62.100 0.153 0.000 0.993 265 T CB 1.677 70.580 68.868 0.058 0.000 0.939 265 T HN 0.014 nan 8.240 nan 0.000 0.449 266 Q N 2.854 122.354 119.800 -0.499 0.000 2.337 266 Q HA 0.307 4.654 4.340 0.012 0.000 0.255 266 Q C 1.036 176.759 176.000 -0.462 0.000 0.997 266 Q CA -0.486 54.698 55.803 -1.032 0.000 0.925 266 Q CB 0.703 28.644 28.738 -1.329 0.000 1.212 266 Q HN 0.701 nan 8.270 nan 0.000 0.436 267 V N 1.208 120.929 119.914 -0.323 0.000 2.992 267 V HA 0.536 4.663 4.120 0.012 0.000 0.250 267 V C 0.374 176.367 176.094 -0.169 0.000 1.090 267 V CA 0.879 63.086 62.300 -0.155 0.000 1.101 267 V CB -0.005 31.810 31.823 -0.013 0.000 0.743 267 V HN 0.637 nan 8.190 nan 0.000 0.468 268 A N -1.072 121.620 122.820 -0.213 0.000 2.601 268 A HA 0.817 5.144 4.320 0.012 0.000 0.291 268 A C -0.646 176.838 177.584 -0.167 0.000 1.075 268 A CA 0.199 52.142 52.037 -0.156 0.000 0.671 268 A CB 1.512 20.448 19.000 -0.107 0.000 1.277 268 A HN 0.674 nan 8.150 nan 0.000 0.417 269 S N -1.303 114.328 115.700 -0.115 0.000 2.558 269 S HA 0.738 5.215 4.470 0.012 0.000 0.277 269 S C -0.644 173.922 174.600 -0.057 0.000 1.143 269 S CA 0.210 58.357 58.200 -0.088 0.000 0.865 269 S CB 1.574 64.712 63.200 -0.103 0.000 1.102 269 S HN 2.329 nan 8.310 nan 0.000 0.454 270 G N 1.546 110.323 108.800 -0.038 0.000 2.706 270 G HA2 0.660 4.627 3.960 0.012 0.000 0.297 270 G HA3 0.660 4.627 3.960 0.012 0.000 0.297 270 G C -1.435 173.455 174.900 -0.017 0.000 1.403 270 G CA -0.411 44.669 45.100 -0.033 0.000 0.954 270 G HN 0.690 nan 8.290 nan 0.000 0.500 271 T N -0.105 114.441 114.554 -0.014 0.000 2.893 271 T HA 0.833 5.190 4.350 0.012 0.000 0.293 271 T C -0.308 174.365 174.700 -0.046 0.000 1.027 271 T CA -0.117 61.983 62.100 0.000 0.000 0.988 271 T CB 1.803 70.709 68.868 0.063 0.000 1.043 271 T HN 1.450 nan 8.240 nan 0.000 0.461 272 A N 3.644 126.403 122.820 -0.101 0.000 2.594 272 A HA 0.931 5.258 4.320 0.012 0.000 0.295 272 A C -3.062 174.404 177.584 -0.197 0.000 1.071 272 A CA -1.693 50.266 52.037 -0.130 0.000 0.685 272 A CB 1.458 20.372 19.000 -0.143 0.000 1.285 272 A HN 0.532 nan 8.150 nan 0.000 0.405 273 P HA 0.517 nan 4.420 nan 0.000 0.278 273 P C -0.639 176.553 177.300 -0.180 0.000 1.266 273 P CA -0.285 62.743 63.100 -0.121 0.000 0.807 273 P CB 0.423 32.103 31.700 -0.034 0.000 1.094 274 F N -0.086 119.822 119.950 -0.069 0.000 2.450 274 F HA 0.459 4.993 4.527 0.011 0.000 0.339 274 F C 1.486 177.266 175.800 -0.034 0.000 1.146 274 F CA 1.559 59.528 58.000 -0.052 0.000 1.267 274 F CB 0.185 39.148 39.000 -0.061 0.000 1.178 274 F HN 0.584 nan 8.300 nan 0.000 0.585 275 G N 1.604 110.510 108.800 0.176 0.000 2.594 275 G HA2 0.333 4.300 3.960 0.012 0.000 0.422 275 G HA3 0.333 4.300 3.960 0.012 0.000 0.422 275 G C -0.361 174.582 174.900 0.072 0.000 1.190 275 G CA -0.739 44.428 45.100 0.111 0.000 1.234 275 G HN 1.050 nan 8.290 nan 0.000 0.584 276 G N 0.566 109.430 108.800 0.107 0.000 2.621 276 G HA2 0.619 4.586 3.960 0.012 0.000 0.271 276 G HA3 0.619 4.586 3.960 0.012 0.000 0.271 276 G C 0.347 175.282 174.900 0.059 0.000 1.236 276 G CA -0.312 44.836 45.100 0.081 0.000 0.958 276 G HN 0.810 nan 8.290 nan 0.000 0.512 277 E N -0.827 119.401 120.200 0.045 0.000 2.438 277 E HA 0.134 4.491 4.350 0.012 0.000 0.261 277 E C 0.422 177.040 176.600 0.031 0.000 1.103 277 E CA -0.129 56.288 56.400 0.029 0.000 0.959 277 E CB 0.562 30.276 29.700 0.024 0.000 0.958 277 E HN 0.312 nan 8.360 nan 0.000 0.447 278 I N 2.077 122.654 120.570 0.012 0.000 2.648 278 I HA -0.055 4.122 4.170 0.012 0.000 0.284 278 I C 1.310 177.430 176.117 0.005 0.000 1.153 278 I CA 0.486 61.785 61.300 -0.002 0.000 1.426 278 I CB 0.264 38.260 38.000 -0.008 0.000 1.381 278 I HN 0.625 nan 8.210 nan 0.000 0.571 279 I N 1.850 122.415 120.570 -0.008 0.000 4.032 279 I HA 0.273 4.450 4.170 0.012 0.000 0.313 279 I C -0.150 175.962 176.117 -0.008 0.000 1.272 279 I CA 0.084 61.389 61.300 0.008 0.000 1.307 279 I CB 0.580 38.609 38.000 0.049 0.000 1.155 279 I HN 0.641 nan 8.210 nan 0.000 0.431 280 D N -0.405 119.976 120.400 -0.031 0.000 2.838 280 D HA 0.179 4.826 4.640 0.012 0.000 0.334 280 D C 0.255 176.535 176.300 -0.033 0.000 1.315 280 D CA -0.482 53.502 54.000 -0.028 0.000 0.917 280 D CB 0.568 41.352 40.800 -0.027 0.000 1.435 280 D HN -0.121 nan 8.370 nan 0.000 0.517 281 E N -1.015 119.169 120.200 -0.028 0.000 2.267 281 E HA -0.045 4.312 4.350 0.012 0.000 0.197 281 E C 1.312 177.891 176.600 -0.035 0.000 0.998 281 E CA 0.988 57.372 56.400 -0.026 0.000 0.830 281 E CB -0.015 29.674 29.700 -0.020 0.000 0.751 281 E HN 0.220 nan 8.360 nan 0.000 0.491 282 R N -0.308 120.163 120.500 -0.049 0.000 2.317 282 R HA 0.289 4.636 4.340 0.012 0.000 0.208 282 R C 0.824 177.080 176.300 -0.074 0.000 0.914 282 R CA 0.697 56.761 56.100 -0.059 0.000 1.060 282 R CB 0.577 30.837 30.300 -0.068 0.000 1.015 282 R HN 0.210 nan 8.270 nan 0.000 0.498 283 G N -0.585 108.171 108.800 -0.072 0.000 2.408 283 G HA2 -0.091 3.876 3.960 0.012 0.000 0.204 283 G HA3 -0.091 3.876 3.960 0.012 0.000 0.204 283 G C -0.298 174.541 174.900 -0.101 0.000 1.186 283 G CA -0.622 44.433 45.100 -0.074 0.000 1.139 283 G HN 0.468 nan 8.290 nan 0.000 0.563 284 G N -1.985 106.748 108.800 -0.111 0.000 3.105 284 G HA2 0.639 4.606 3.960 0.012 0.000 0.277 284 G HA3 0.639 4.606 3.960 0.012 0.000 0.277 284 G C -1.533 173.247 174.900 -0.199 0.000 1.375 284 G CA -0.732 44.298 45.100 -0.117 0.000 0.962 284 G HN 0.771 nan 8.290 nan 0.000 0.541 285 Y N 1.118 121.428 120.300 0.017 0.000 2.556 285 Y HA 0.396 4.953 4.550 0.011 0.000 0.352 285 Y C 1.480 177.405 175.900 0.041 0.000 1.006 285 Y CA 0.172 58.287 58.100 0.025 0.000 1.277 285 Y CB 1.566 40.046 38.460 0.033 0.000 1.136 285 Y HN 0.543 nan 8.280 nan 0.000 0.523 286 A N 1.734 124.623 122.820 0.115 0.000 2.168 286 A HA -0.122 4.205 4.320 0.012 0.000 0.215 286 A C 1.300 178.957 177.584 0.122 0.000 1.152 286 A CA 1.191 53.285 52.037 0.095 0.000 0.716 286 A CB -0.259 18.755 19.000 0.023 0.000 0.794 286 A HN 0.781 nan 8.150 nan 0.000 0.465 287 D N -0.826 119.653 120.400 0.131 0.000 2.388 287 D HA 0.139 4.786 4.640 0.012 0.000 0.221 287 D C 0.454 176.887 176.300 0.221 0.000 1.133 287 D CA -0.053 53.960 54.000 0.021 0.000 0.831 287 D CB -0.016 40.767 40.800 -0.028 0.000 0.962 287 D HN 0.359 nan 8.370 nan 0.000 0.502 288 R N -0.620 120.106 120.500 0.378 0.000 2.837 288 R HA 0.749 5.096 4.340 0.012 0.000 0.271 288 R C -1.547 174.881 176.300 0.214 0.000 0.993 288 R CA -1.149 55.141 56.100 0.316 0.000 0.931 288 R CB 3.159 33.518 30.300 0.098 0.000 1.206 288 R HN -0.017 nan 8.270 nan 0.000 0.474 289 V N 0.461 120.366 119.914 -0.015 0.000 2.969 289 V HA 0.471 4.598 4.120 0.012 0.000 0.304 289 V C -1.480 174.534 176.094 -0.134 0.000 1.192 289 V CA -0.278 61.922 62.300 -0.166 0.000 0.962 289 V CB 2.708 34.259 31.823 -0.453 0.000 1.045 289 V HN 0.791 nan 8.190 nan 0.000 0.428 290 T N 7.556 122.051 114.554 -0.099 0.000 2.786 290 T HA 0.567 4.924 4.350 0.012 0.000 0.283 290 T C -0.864 173.788 174.700 -0.080 0.000 0.992 290 T CA -0.370 61.684 62.100 -0.076 0.000 0.954 290 T CB 0.931 69.772 68.868 -0.045 0.000 0.934 290 T HN 0.438 nan 8.240 nan 0.000 0.440 291 L N 3.906 125.083 121.223 -0.077 0.000 2.307 291 L HA 0.556 4.903 4.340 0.012 0.000 0.282 291 L C 0.504 177.343 176.870 -0.052 0.000 1.051 291 L CA -0.302 54.496 54.840 -0.069 0.000 0.804 291 L CB 1.197 43.215 42.059 -0.069 0.000 1.197 291 L HN 0.543 nan 8.230 nan 0.000 0.431 292 R N 3.648 124.119 120.500 -0.049 0.000 2.409 292 R HA 0.603 4.950 4.340 0.012 0.000 0.313 292 R C -1.333 174.940 176.300 -0.045 0.000 0.953 292 R CA -0.930 55.143 56.100 -0.046 0.000 0.849 292 R CB 1.835 32.108 30.300 -0.045 0.000 1.171 292 R HN 0.228 nan 8.270 nan 0.000 0.458 293 L N 3.109 124.306 121.223 -0.042 0.000 2.305 293 L HA 0.340 4.687 4.340 0.012 0.000 0.284 293 L C -0.161 176.683 176.870 -0.042 0.000 1.013 293 L CA -0.577 54.238 54.840 -0.041 0.000 0.819 293 L CB 1.302 43.342 42.059 -0.033 0.000 1.227 293 L HN 0.457 nan 8.230 nan 0.000 0.417 294 N N 2.606 121.275 118.700 -0.052 0.000 2.514 294 N HA 0.441 5.188 4.740 0.012 0.000 0.277 294 N C -0.921 174.544 175.510 -0.075 0.000 1.126 294 N CA -0.210 52.805 53.050 -0.058 0.000 0.978 294 N CB 2.315 40.770 38.487 -0.053 0.000 1.106 294 N HN 0.210 nan 8.380 nan 0.000 0.461 295 V N 2.146 122.002 119.914 -0.096 0.000 2.525 295 V HA 0.188 4.315 4.120 0.012 0.000 0.299 295 V C -0.252 175.761 176.094 -0.135 0.000 1.034 295 V CA -0.853 61.350 62.300 -0.162 0.000 0.863 295 V CB 1.918 33.550 31.823 -0.318 0.000 0.999 295 V HN 0.456 nan 8.190 nan 0.000 0.423 296 E N 2.862 123.004 120.200 -0.097 0.000 2.249 296 E HA 0.341 4.698 4.350 0.012 0.000 0.280 296 E C 0.197 176.771 176.600 -0.042 0.000 1.016 296 E CA -0.492 55.876 56.400 -0.052 0.000 0.830 296 E CB 0.623 30.303 29.700 -0.033 0.000 1.081 296 E HN 0.717 nan 8.360 nan 0.000 0.395 297 N N 1.421 120.119 118.700 -0.003 0.000 2.688 297 N HA -0.144 4.603 4.740 0.012 0.000 0.258 297 N C -2.488 173.029 175.510 0.012 0.000 1.016 297 N CA 0.131 53.197 53.050 0.027 0.000 0.747 297 N CB -0.807 37.696 38.487 0.025 0.000 0.895 297 N HN 0.311 nan 8.380 nan 0.000 0.543 298 P HA 0.019 nan 4.420 nan 0.000 0.271 298 P C -0.452 176.891 177.300 0.073 0.000 1.218 298 P CA 0.231 63.260 63.100 -0.118 0.000 0.780 298 P CB 0.767 32.204 31.700 -0.439 0.000 0.901 299 K N 2.701 123.216 120.400 0.192 0.000 2.349 299 K HA 0.262 4.589 4.320 0.012 0.000 0.289 299 K C 0.268 177.021 176.600 0.256 0.000 1.064 299 K CA -0.306 56.083 56.287 0.170 0.000 0.947 299 K CB 0.183 32.734 32.500 0.085 0.000 1.007 299 K HN 0.461 nan 8.250 nan 0.000 0.478 300 L N 2.491 123.797 121.223 0.139 0.000 2.418 300 L HA 0.289 4.636 4.340 0.012 0.000 0.265 300 L C 0.089 177.034 176.870 0.125 0.000 1.143 300 L CA -0.809 54.114 54.840 0.139 0.000 0.809 300 L CB 0.434 42.413 42.059 -0.133 0.000 1.124 300 L HN 0.586 nan 8.230 nan 0.000 0.456 301 W N 2.780 124.102 121.300 0.037 0.000 2.438 301 W HA 0.497 5.164 4.660 0.011 0.000 0.324 301 W C -0.084 176.380 176.519 -0.092 0.000 1.119 301 W CA 0.039 57.393 57.345 0.015 0.000 1.221 301 W CB 1.412 30.938 29.460 0.109 0.000 1.253 301 W HN 0.606 nan 8.180 nan 0.000 0.555 302 S N 2.829 118.000 115.700 -0.882 0.000 2.656 302 S HA 0.655 5.132 4.470 0.012 0.000 0.273 302 S C 0.099 173.890 174.600 -1.349 0.000 1.168 302 S CA -0.359 57.365 58.200 -0.793 0.000 0.817 302 S CB 1.146 64.154 63.200 -0.319 0.000 1.146 302 S HN 0.978 nan 8.310 nan 0.000 0.475 303 A N 0.476 122.671 122.820 -1.042 0.000 2.014 303 A HA 0.060 4.387 4.320 0.012 0.000 0.218 303 A C 1.753 179.013 177.584 -0.539 0.000 1.163 303 A CA 1.431 52.881 52.037 -0.979 0.000 0.652 303 A CB -0.990 17.315 19.000 -1.159 0.000 0.808 303 A HN 0.880 nan 8.150 nan 0.000 0.449 304 E N -0.969 119.055 120.200 -0.293 0.000 2.106 304 E HA -0.019 4.338 4.350 0.012 0.000 0.192 304 E C -0.503 175.971 176.600 -0.211 0.000 0.984 304 E CA 0.766 57.063 56.400 -0.173 0.000 0.806 304 E CB -0.022 29.708 29.700 0.051 0.000 0.750 304 E HN 0.620 nan 8.360 nan 0.000 0.458 305 I N 1.070 121.479 120.570 -0.270 0.000 2.595 305 I HA 0.134 4.311 4.170 0.012 0.000 0.276 305 I C -2.516 173.369 176.117 -0.387 0.000 1.109 305 I CA -1.765 59.394 61.300 -0.235 0.000 1.084 305 I CB 2.187 40.101 38.000 -0.143 0.000 1.206 305 I HN -0.212 nan 8.210 nan 0.000 0.486 306 P HA 0.100 nan 4.420 nan 0.000 0.226 306 P C -0.603 176.658 177.300 -0.065 0.000 1.783 306 P CA -0.221 62.545 63.100 -0.557 0.000 0.980 306 P CB -0.224 31.315 31.700 -0.268 0.000 1.967 307 N N 1.651 120.337 118.700 -0.023 0.000 2.454 307 N HA 0.125 4.872 4.740 0.012 0.000 0.260 307 N C 0.103 175.808 175.510 0.325 0.000 1.218 307 N CA 0.487 53.597 53.050 0.101 0.000 0.904 307 N CB 0.766 39.306 38.487 0.088 0.000 1.065 307 N HN 0.297 nan 8.380 nan 0.000 0.462 308 L N 2.152 123.492 121.223 0.194 0.000 2.371 308 L HA 0.472 4.819 4.340 0.012 0.000 0.262 308 L C -0.845 176.090 176.870 0.109 0.000 1.006 308 L CA -0.844 54.165 54.840 0.282 0.000 0.818 308 L CB 1.378 43.577 42.059 0.233 0.000 1.354 308 L HN 0.399 nan 8.230 nan 0.000 0.415 309 Y N 0.214 120.671 120.300 0.261 0.000 2.631 309 Y HA 0.673 5.231 4.550 0.012 0.000 0.328 309 Y C -0.182 175.843 175.900 0.209 0.000 1.118 309 Y CA -0.766 57.484 58.100 0.249 0.000 1.206 309 Y CB 1.651 40.319 38.460 0.347 0.000 1.337 309 Y HN 0.378 nan 8.280 nan 0.000 0.515 310 R N 0.974 121.713 120.500 0.398 0.000 2.494 310 R HA 0.798 5.145 4.340 0.012 0.000 0.305 310 R C -1.680 174.802 176.300 0.303 0.000 0.959 310 R CA -0.559 55.699 56.100 0.263 0.000 0.864 310 R CB 1.158 31.549 30.300 0.152 0.000 1.159 310 R HN 0.732 nan 8.270 nan 0.000 0.446 311 A N 3.904 126.848 122.820 0.207 0.000 2.288 311 A HA 0.618 4.945 4.320 0.012 0.000 0.320 311 A C -1.035 176.601 177.584 0.086 0.000 1.217 311 A CA -0.651 51.487 52.037 0.169 0.000 0.840 311 A CB 1.248 20.316 19.000 0.113 0.000 1.179 311 A HN 0.488 nan 8.150 nan 0.000 0.504 312 V N 3.302 123.273 119.914 0.095 0.000 2.459 312 V HA 0.371 4.498 4.120 0.012 0.000 0.295 312 V C -0.311 175.753 176.094 -0.050 0.000 1.029 312 V CA -0.479 61.810 62.300 -0.018 0.000 0.874 312 V CB 1.678 33.493 31.823 -0.014 0.000 0.985 312 V HN 0.609 nan 8.190 nan 0.000 0.438 313 V N 4.881 124.702 119.914 -0.155 0.000 2.294 313 V HA 0.376 4.503 4.120 0.012 0.000 0.272 313 V C 0.020 176.056 176.094 -0.096 0.000 1.027 313 V CA -0.571 61.616 62.300 -0.189 0.000 0.823 313 V CB 0.947 32.491 31.823 -0.465 0.000 1.030 313 V HN 0.916 nan 8.190 nan 0.000 0.457 314 E N 3.880 124.078 120.200 -0.003 0.000 2.156 314 E HA 0.468 4.825 4.350 0.012 0.000 0.279 314 E C -0.882 175.817 176.600 0.165 0.000 0.965 314 E CA -0.828 55.619 56.400 0.078 0.000 0.789 314 E CB 2.326 32.086 29.700 0.099 0.000 1.098 314 E HN 0.441 nan 8.360 nan 0.000 0.397 315 L N 4.875 126.174 121.223 0.127 0.000 2.257 315 L HA 0.356 4.703 4.340 0.012 0.000 0.290 315 L C -0.998 175.991 176.870 0.198 0.000 1.044 315 L CA 0.042 54.958 54.840 0.127 0.000 0.810 315 L CB -0.055 42.059 42.059 0.091 0.000 1.193 315 L HN 0.648 nan 8.230 nan 0.000 0.425 316 H N 0.155 119.281 119.070 0.094 0.000 2.990 316 H HA 0.708 5.271 4.556 0.012 0.000 0.336 316 H C -0.652 174.755 175.328 0.130 0.000 1.306 316 H CA -0.568 55.530 56.048 0.084 0.000 1.118 316 H CB 0.588 30.378 29.762 0.047 0.000 1.856 316 H HN 0.507 nan 8.280 nan 0.000 0.538 317 T N -1.618 113.079 114.554 0.239 0.000 2.882 317 T HA 0.449 4.806 4.350 0.012 0.000 0.287 317 T C 1.465 176.314 174.700 0.248 0.000 1.014 317 T CA -0.291 61.932 62.100 0.205 0.000 1.049 317 T CB 1.355 70.243 68.868 0.034 0.000 1.001 317 T HN 0.925 nan 8.240 nan 0.000 0.525 318 A N 1.176 124.108 122.820 0.188 0.000 1.978 318 A HA -0.062 4.265 4.320 0.012 0.000 0.220 318 A C 1.817 179.500 177.584 0.165 0.000 1.170 318 A CA 1.415 53.559 52.037 0.177 0.000 0.636 318 A CB -0.793 18.282 19.000 0.124 0.000 0.810 318 A HN 0.865 nan 8.150 nan 0.000 0.448 319 D N -1.490 118.975 120.400 0.108 0.000 2.352 319 D HA 0.277 4.924 4.640 0.012 0.000 0.232 319 D C 1.291 177.620 176.300 0.049 0.000 1.055 319 D CA 1.161 55.196 54.000 0.058 0.000 0.891 319 D CB 0.182 40.993 40.800 0.019 0.000 0.897 319 D HN 0.614 nan 8.370 nan 0.000 0.529 320 G N -0.298 108.555 108.800 0.089 0.000 2.205 320 G HA2 -0.203 3.764 3.960 0.012 0.000 0.180 320 G HA3 -0.203 3.764 3.960 0.012 0.000 0.180 320 G C 0.429 175.343 174.900 0.023 0.000 1.004 320 G CA -0.215 44.903 45.100 0.030 0.000 0.670 320 G HN 0.245 nan 8.290 nan 0.000 0.496 321 T N 2.008 116.596 114.554 0.056 0.000 2.729 321 T HA 0.514 4.871 4.350 0.012 0.000 0.296 321 T C 0.178 174.930 174.700 0.087 0.000 0.928 321 T CA -0.174 61.951 62.100 0.041 0.000 1.045 321 T CB 1.824 70.700 68.868 0.012 0.000 0.902 321 T HN 0.555 nan 8.240 nan 0.000 0.500 322 L N 5.351 126.605 121.223 0.051 0.000 2.360 322 L HA 0.348 4.695 4.340 0.012 0.000 0.276 322 L C 0.875 177.786 176.870 0.068 0.000 1.121 322 L CA 0.307 55.191 54.840 0.074 0.000 0.845 322 L CB 0.015 42.089 42.059 0.025 0.000 1.143 322 L HN 0.684 nan 8.230 nan 0.000 0.452 323 I N 2.990 123.613 120.570 0.089 0.000 2.270 323 I HA 0.034 4.211 4.170 0.012 0.000 0.239 323 I C 0.413 176.551 176.117 0.035 0.000 1.080 323 I CA 0.764 62.099 61.300 0.058 0.000 1.383 323 I CB 0.072 38.113 38.000 0.068 0.000 1.097 323 I HN 0.814 nan 8.210 nan 0.000 0.420 324 E N -0.032 120.189 120.200 0.036 0.000 2.416 324 E HA 0.721 5.078 4.350 0.012 0.000 0.280 324 E C -1.448 175.170 176.600 0.031 0.000 1.055 324 E CA -1.102 55.312 56.400 0.022 0.000 0.825 324 E CB 1.837 31.519 29.700 -0.029 0.000 1.312 324 E HN 0.020 nan 8.360 nan 0.000 0.452 325 A N 1.186 124.047 122.820 0.069 0.000 2.414 325 A HA 0.682 5.009 4.320 0.012 0.000 0.306 325 A C -1.001 176.677 177.584 0.156 0.000 1.054 325 A CA -0.754 51.323 52.037 0.066 0.000 0.724 325 A CB 1.621 20.651 19.000 0.051 0.000 1.267 325 A HN 0.511 nan 8.150 nan 0.000 0.418 326 E N -0.251 119.970 120.200 0.035 0.000 2.339 326 E HA 0.853 5.210 4.350 0.012 0.000 0.262 326 E C -0.451 176.163 176.600 0.023 0.000 0.934 326 E CA -0.514 55.956 56.400 0.117 0.000 0.802 326 E CB 2.361 32.023 29.700 -0.063 0.000 1.275 326 E HN 1.202 nan 8.360 nan 0.000 0.427 327 A N -0.143 122.804 122.820 0.211 0.000 2.586 327 A HA 0.697 5.024 4.320 0.012 0.000 0.291 327 A C -1.176 176.582 177.584 0.289 0.000 1.062 327 A CA -0.408 51.685 52.037 0.094 0.000 0.666 327 A CB 0.692 19.668 19.000 -0.040 0.000 1.281 327 A HN 0.860 nan 8.150 nan 0.000 0.421 328 C N -0.584 118.848 119.300 0.220 0.000 3.311 328 C HA 0.822 5.289 4.460 0.012 0.000 0.325 328 C C -1.422 173.665 174.990 0.161 0.000 1.352 328 C CA -0.922 58.234 59.018 0.231 0.000 1.308 328 C CB 1.137 29.035 27.740 0.263 0.000 1.619 328 C HN 0.813 nan 8.230 nan 0.000 0.469 329 D N 1.103 121.586 120.400 0.138 0.000 2.256 329 D HA 0.565 5.212 4.640 0.012 0.000 0.250 329 D C -0.339 176.025 176.300 0.106 0.000 1.093 329 D CA 0.134 54.218 54.000 0.140 0.000 0.882 329 D CB 1.893 42.778 40.800 0.142 0.000 1.185 329 D HN 0.550 nan 8.370 nan 0.000 0.437 330 V N 1.120 121.127 119.914 0.154 0.000 2.555 330 V HA 0.697 4.824 4.120 0.012 0.000 0.302 330 V C 0.595 176.780 176.094 0.152 0.000 1.038 330 V CA -0.819 61.528 62.300 0.077 0.000 0.887 330 V CB 2.033 33.891 31.823 0.057 0.000 0.991 330 V HN 0.612 nan 8.190 nan 0.000 0.434 331 G N 2.980 111.770 108.800 -0.016 0.000 2.574 331 G HA2 0.600 4.567 3.960 0.012 0.000 0.306 331 G HA3 0.600 4.567 3.960 0.012 0.000 0.306 331 G C -1.000 174.010 174.900 0.184 0.000 1.334 331 G CA -0.402 44.781 45.100 0.140 0.000 0.954 331 G HN 0.415 nan 8.290 nan 0.000 0.500 332 F N 4.164 124.325 119.950 0.352 0.000 2.468 332 F HA 0.398 4.931 4.527 0.011 0.000 0.356 332 F C 1.175 177.232 175.800 0.427 0.000 1.167 332 F CA -0.142 58.123 58.000 0.443 0.000 1.135 332 F CB 0.539 39.839 39.000 0.500 0.000 1.197 332 F HN 0.438 nan 8.300 nan 0.000 0.569 333 R N 2.890 123.674 120.500 0.473 0.000 2.680 333 R HA 0.429 4.776 4.340 0.012 0.000 0.269 333 R C -1.695 174.774 176.300 0.282 0.000 1.026 333 R CA -0.803 55.426 56.100 0.214 0.000 0.889 333 R CB 1.532 31.982 30.300 0.250 0.000 1.241 333 R HN 0.575 nan 8.270 nan 0.000 0.463 334 E N 2.113 122.382 120.200 0.116 0.000 2.171 334 E HA 0.466 4.823 4.350 0.012 0.000 0.271 334 E C -1.165 175.512 176.600 0.129 0.000 0.916 334 E CA -0.918 55.632 56.400 0.250 0.000 0.774 334 E CB 2.005 31.946 29.700 0.401 0.000 1.128 334 E HN 0.402 nan 8.360 nan 0.000 0.403 335 V N 5.416 125.400 119.914 0.116 0.000 2.448 335 V HA 0.592 4.719 4.120 0.012 0.000 0.295 335 V C -0.226 175.912 176.094 0.074 0.000 1.025 335 V CA -0.630 61.707 62.300 0.063 0.000 0.859 335 V CB 1.241 33.079 31.823 0.024 0.000 0.988 335 V HN 0.768 nan 8.190 nan 0.000 0.431 336 R N 4.199 124.737 120.500 0.064 0.000 2.663 336 R HA 0.705 5.052 4.340 0.012 0.000 0.267 336 R C -2.208 174.122 176.300 0.050 0.000 1.038 336 R CA -0.887 55.254 56.100 0.068 0.000 0.886 336 R CB 1.754 32.111 30.300 0.095 0.000 1.249 336 R HN 0.526 nan 8.270 nan 0.000 0.463 337 I N 1.457 122.056 120.570 0.049 0.000 2.378 337 I HA 0.367 4.544 4.170 0.012 0.000 0.291 337 I C -0.621 175.521 176.117 0.042 0.000 0.992 337 I CA -0.480 60.842 61.300 0.037 0.000 1.154 337 I CB 1.894 39.917 38.000 0.038 0.000 1.315 337 I HN 0.691 nan 8.210 nan 0.000 0.448 338 E N 5.936 126.157 120.200 0.035 0.000 2.290 338 E HA 0.238 4.595 4.350 0.012 0.000 0.274 338 E C -0.338 176.277 176.600 0.027 0.000 0.889 338 E CA -0.554 55.869 56.400 0.037 0.000 0.760 338 E CB 1.115 30.844 29.700 0.048 0.000 1.206 338 E HN 0.564 nan 8.360 nan 0.000 0.419 339 N N 2.981 121.696 118.700 0.026 0.000 2.708 339 N HA -0.239 4.508 4.740 0.012 0.000 0.249 339 N C 0.454 175.972 175.510 0.013 0.000 1.097 339 N CA 2.062 55.123 53.050 0.019 0.000 0.710 339 N CB -1.140 37.357 38.487 0.017 0.000 1.032 339 N HN 0.963 nan 8.380 nan 0.000 0.551 340 G N -2.436 106.372 108.800 0.013 0.000 2.176 340 G HA2 -0.275 3.692 3.960 0.012 0.000 0.253 340 G HA3 -0.275 3.692 3.960 0.012 0.000 0.253 340 G C -0.105 174.792 174.900 -0.006 0.000 0.979 340 G CA 0.424 45.527 45.100 0.006 0.000 0.641 340 G HN 0.436 nan 8.290 nan 0.000 0.530 341 L N 0.158 121.378 121.223 -0.005 0.000 2.346 341 L HA 0.712 5.059 4.340 0.012 0.000 0.274 341 L C 0.033 176.893 176.870 -0.016 0.000 1.007 341 L CA -1.342 53.487 54.840 -0.019 0.000 0.818 341 L CB 1.870 43.919 42.059 -0.017 0.000 1.284 341 L HN 0.094 nan 8.230 nan 0.000 0.424 342 L N 4.394 125.595 121.223 -0.036 0.000 2.278 342 L HA 0.442 4.789 4.340 0.012 0.000 0.287 342 L C -0.816 176.031 176.870 -0.039 0.000 1.072 342 L CA 0.381 55.200 54.840 -0.035 0.000 0.819 342 L CB 0.293 42.315 42.059 -0.061 0.000 1.176 342 L HN 0.384 nan 8.230 nan 0.000 0.435 343 L N 5.699 126.915 121.223 -0.010 0.000 2.334 343 L HA 0.542 4.889 4.340 0.012 0.000 0.273 343 L C -0.818 176.054 176.870 0.005 0.000 1.013 343 L CA -0.890 53.951 54.840 0.001 0.000 0.816 343 L CB 1.929 44.012 42.059 0.040 0.000 1.278 343 L HN 0.533 nan 8.230 nan 0.000 0.431 344 L N 3.550 124.785 121.223 0.020 0.000 2.349 344 L HA 0.473 4.820 4.340 0.012 0.000 0.278 344 L C -0.157 176.707 176.870 -0.011 0.000 0.996 344 L CA -0.029 54.828 54.840 0.029 0.000 0.825 344 L CB 0.979 43.082 42.059 0.074 0.000 1.243 344 L HN 0.572 nan 8.230 nan 0.000 0.412 345 N N 4.218 122.758 118.700 -0.267 0.000 2.716 345 N HA -0.226 4.521 4.740 0.012 0.000 0.250 345 N C 0.945 176.036 175.510 -0.698 0.000 1.033 345 N CA 1.336 53.846 53.050 -0.900 0.000 0.727 345 N CB -1.273 36.629 38.487 -0.975 0.000 0.950 345 N HN 1.189 nan 8.380 nan 0.000 0.541 346 G N -2.217 106.486 108.800 -0.161 0.000 2.179 346 G HA2 -0.346 3.621 3.960 0.012 0.000 0.260 346 G HA3 -0.346 3.621 3.960 0.012 0.000 0.260 346 G C -0.028 174.904 174.900 0.053 0.000 0.977 346 G CA 0.894 46.042 45.100 0.078 0.000 0.641 346 G HN 0.418 nan 8.290 nan 0.000 0.533 347 K N 0.453 120.876 120.400 0.037 0.000 2.318 347 K HA 0.574 4.901 4.320 0.012 0.000 0.249 347 K C -2.849 173.731 176.600 -0.033 0.000 0.942 347 K CA -2.271 54.007 56.287 -0.015 0.000 0.808 347 K CB 2.436 34.873 32.500 -0.104 0.000 1.189 347 K HN -0.002 nan 8.250 nan 0.000 0.428 348 P HA 0.229 nan 4.420 nan 0.000 0.282 348 P C -0.132 177.106 177.300 -0.103 0.000 1.262 348 P CA -0.244 62.812 63.100 -0.074 0.000 0.773 348 P CB 0.478 32.136 31.700 -0.070 0.000 0.879 349 L N 3.380 124.536 121.223 -0.111 0.000 2.453 349 L HA 0.305 4.652 4.340 0.012 0.000 0.261 349 L C 0.575 177.361 176.870 -0.139 0.000 1.179 349 L CA -0.583 54.178 54.840 -0.131 0.000 0.813 349 L CB 0.343 42.280 42.059 -0.203 0.000 1.110 349 L HN 0.250 nan 8.230 nan 0.000 0.466 350 L N 3.717 124.875 121.223 -0.110 0.000 2.388 350 L HA 0.417 4.764 4.340 0.012 0.000 0.267 350 L C -0.553 176.266 176.870 -0.086 0.000 0.995 350 L CA -0.261 54.496 54.840 -0.138 0.000 0.864 350 L CB 0.921 42.927 42.059 -0.088 0.000 1.216 350 L HN 0.243 nan 8.230 nan 0.000 0.430 351 I N 5.033 125.483 120.570 -0.201 0.000 2.421 351 I HA 0.176 4.353 4.170 0.012 0.000 0.291 351 I C 0.541 176.620 176.117 -0.064 0.000 1.089 351 I CA 0.209 61.400 61.300 -0.181 0.000 1.354 351 I CB 0.231 37.992 38.000 -0.397 0.000 1.413 351 I HN 0.555 nan 8.210 nan 0.000 0.513 352 R N 4.859 125.414 120.500 0.091 0.000 3.070 352 R HA 0.445 4.792 4.340 0.012 0.000 0.252 352 R C 0.546 176.990 176.300 0.240 0.000 1.370 352 R CA -0.275 55.925 56.100 0.167 0.000 1.482 352 R CB 0.798 31.001 30.300 -0.162 0.000 1.220 352 R HN 0.750 nan 8.270 nan 0.000 0.622 353 G N 0.181 109.090 108.800 0.183 0.000 2.509 353 G HA2 0.586 4.553 3.960 0.012 0.000 0.328 353 G HA3 0.586 4.553 3.960 0.012 0.000 0.328 353 G C -1.265 173.973 174.900 0.563 0.000 1.194 353 G CA -0.487 44.721 45.100 0.180 0.000 0.967 353 G HN 0.238 nan 8.290 nan 0.000 0.488 354 V N 0.069 120.270 119.914 0.478 0.000 3.012 354 V HA 0.460 4.587 4.120 0.012 0.000 0.307 354 V C -1.133 175.102 176.094 0.236 0.000 1.166 354 V CA -1.220 61.229 62.300 0.248 0.000 0.974 354 V CB 2.198 33.828 31.823 -0.322 0.000 1.040 354 V HN 0.761 nan 8.190 nan 0.000 0.428 355 N N 4.317 123.085 118.700 0.115 0.000 2.488 355 N HA 0.412 5.159 4.740 0.012 0.000 0.274 355 N C -0.706 174.629 175.510 -0.292 0.000 1.111 355 N CA -0.248 52.741 53.050 -0.100 0.000 0.974 355 N CB 1.422 39.847 38.487 -0.103 0.000 1.089 355 N HN 0.630 nan 8.380 nan 0.000 0.465 356 R N 2.309 122.602 120.500 -0.344 0.000 2.502 356 R HA 0.234 4.581 4.340 0.012 0.000 0.300 356 R C -0.833 175.227 176.300 -0.401 0.000 0.984 356 R CA -0.559 55.348 56.100 -0.323 0.000 0.882 356 R CB 0.834 30.919 30.300 -0.358 0.000 1.180 356 R HN 0.581 nan 8.270 nan 0.000 0.444 357 H N 2.137 121.058 119.070 -0.249 0.000 2.508 357 H HA 0.150 4.713 4.556 0.012 0.000 0.358 357 H C -0.486 174.832 175.328 -0.017 0.000 1.212 357 H CA -0.038 55.948 56.048 -0.103 0.000 1.356 357 H CB 1.456 31.229 29.762 0.017 0.000 1.525 357 H HN 0.566 nan 8.280 nan 0.000 0.578 358 E N 1.591 121.974 120.200 0.305 0.000 2.001 358 E HA 0.132 4.489 4.350 0.012 0.000 0.279 358 E C -0.788 175.966 176.600 0.256 0.000 1.045 358 E CA -0.097 56.407 56.400 0.174 0.000 0.833 358 E CB 0.499 30.310 29.700 0.185 0.000 1.077 358 E HN 0.364 nan 8.360 nan 0.000 0.397 359 H N 1.722 120.854 119.070 0.104 0.000 2.865 359 H HA 0.285 4.848 4.556 0.012 0.000 0.362 359 H C -1.682 173.713 175.328 0.111 0.000 1.114 359 H CA -0.635 55.474 56.048 0.101 0.000 1.208 359 H CB 1.117 30.923 29.762 0.075 0.000 1.727 359 H HN 0.433 nan 8.280 nan 0.000 0.534 360 H N 5.842 124.480 119.070 -0.721 0.000 2.759 360 H HA 0.221 4.784 4.556 0.012 0.000 0.354 360 H C -2.383 172.583 175.328 -0.603 0.000 1.074 360 H CA -2.337 53.467 56.048 -0.407 0.000 1.226 360 H CB 2.854 32.529 29.762 -0.144 0.000 1.648 360 H HN 0.523 nan 8.280 nan 0.000 0.529 361 P HA -0.037 nan 4.420 nan 0.000 0.223 361 P C 1.164 178.367 177.300 -0.161 0.000 1.151 361 P CA 0.618 63.572 63.100 -0.244 0.000 0.787 361 P CB 0.885 32.482 31.700 -0.172 0.000 0.788 362 L N -1.467 119.781 121.223 0.041 0.000 2.362 362 L HA 0.100 4.447 4.340 0.012 0.000 0.204 362 L C 2.461 179.162 176.870 -0.283 0.000 1.060 362 L CA 0.661 55.393 54.840 -0.180 0.000 0.827 362 L CB -0.646 41.155 42.059 -0.430 0.000 1.027 362 L HN -0.016 nan 8.230 nan 0.000 0.474 363 H N -0.340 118.738 119.070 0.013 0.000 2.553 363 H HA 0.277 4.840 4.556 0.012 0.000 0.265 363 H C 1.451 176.674 175.328 -0.176 0.000 0.964 363 H CA 0.684 56.615 56.048 -0.195 0.000 1.156 363 H CB 0.292 29.799 29.762 -0.424 0.000 1.411 363 H HN 0.371 nan 8.280 nan 0.000 0.558 364 G N 1.589 110.311 108.800 -0.130 0.000 2.559 364 G HA2 -0.358 3.609 3.960 0.012 0.000 0.282 364 G HA3 -0.358 3.609 3.960 0.012 0.000 0.282 364 G C 0.712 175.534 174.900 -0.130 0.000 1.177 364 G CA 0.372 45.345 45.100 -0.212 0.000 0.960 364 G HN 0.446 nan 8.290 nan 0.000 0.540 365 Q N 0.062 119.816 119.800 -0.077 0.000 2.220 365 Q HA 0.459 4.806 4.340 0.012 0.000 0.205 365 Q C 0.323 176.432 176.000 0.182 0.000 0.865 365 Q CA -0.097 55.714 55.803 0.013 0.000 0.960 365 Q CB 1.277 29.923 28.738 -0.153 0.000 1.097 365 Q HN 0.365 nan 8.270 nan 0.000 0.493 366 V N 2.130 122.115 119.914 0.118 0.000 2.488 366 V HA 0.155 4.282 4.120 0.012 0.000 0.277 366 V C 0.222 176.341 176.094 0.042 0.000 1.046 366 V CA 0.234 62.592 62.300 0.097 0.000 0.986 366 V CB 0.833 32.647 31.823 -0.014 0.000 0.989 366 V HN 0.322 nan 8.190 nan 0.000 0.475 367 M N 4.520 124.147 119.600 0.045 0.000 2.598 367 M HA 0.540 5.027 4.480 0.012 0.000 0.317 367 M C -0.581 175.649 176.300 -0.116 0.000 1.201 367 M CA -0.593 54.688 55.300 -0.030 0.000 0.971 367 M CB 1.828 34.379 32.600 -0.081 0.000 1.657 367 M HN 0.934 nan 8.290 nan 0.000 0.470 368 D N -1.803 118.536 120.400 -0.101 0.000 2.596 368 D HA 0.242 4.889 4.640 0.012 0.000 0.234 368 D C 0.264 176.528 176.300 -0.060 0.000 1.181 368 D CA -0.684 53.257 54.000 -0.099 0.000 0.856 368 D CB 1.360 42.119 40.800 -0.069 0.000 1.498 368 D HN 0.679 nan 8.370 nan 0.000 0.446 369 E N -0.126 120.052 120.200 -0.036 0.000 2.097 369 E HA -0.318 4.039 4.350 0.012 0.000 0.196 369 E C 1.461 178.096 176.600 0.058 0.000 1.000 369 E CA 1.662 58.075 56.400 0.021 0.000 0.804 369 E CB 0.119 29.848 29.700 0.048 0.000 0.740 369 E HN 0.530 nan 8.360 nan 0.000 0.454 370 Q N -0.506 119.330 119.800 0.059 0.000 2.050 370 Q HA -0.140 4.207 4.340 0.012 0.000 0.202 370 Q C 2.339 178.396 176.000 0.095 0.000 0.980 370 Q CA 1.934 57.785 55.803 0.079 0.000 0.840 370 Q CB -0.184 28.603 28.738 0.081 0.000 0.898 370 Q HN 0.335 nan 8.270 nan 0.000 0.424 371 T N 1.354 115.972 114.554 0.107 0.000 2.746 371 T HA -0.127 4.230 4.350 0.012 0.000 0.267 371 T C 1.936 176.714 174.700 0.129 0.000 1.039 371 T CA 1.213 63.394 62.100 0.134 0.000 1.142 371 T CB -0.153 68.823 68.868 0.180 0.000 0.866 371 T HN 0.214 nan 8.240 nan 0.000 0.444 372 M N 0.534 120.207 119.600 0.123 0.000 2.086 372 M HA -0.097 4.390 4.480 0.012 0.000 0.261 372 M C 2.478 178.888 176.300 0.184 0.000 1.067 372 M CA 1.324 56.765 55.300 0.235 0.000 1.116 372 M CB -0.633 32.143 32.600 0.294 0.000 1.348 372 M HN 0.095 nan 8.290 nan 0.000 0.407 373 V N 0.316 120.277 119.914 0.079 0.000 2.343 373 V HA -0.307 3.820 4.120 0.012 0.000 0.247 373 V C 2.343 178.416 176.094 -0.035 0.000 1.051 373 V CA 2.171 64.447 62.300 -0.040 0.000 1.036 373 V CB -0.923 30.913 31.823 0.022 0.000 0.654 373 V HN 0.569 nan 8.190 nan 0.000 0.451 374 Q N -0.219 119.614 119.800 0.056 0.000 2.096 374 Q HA -0.283 4.064 4.340 0.012 0.000 0.204 374 Q C 1.927 178.002 176.000 0.125 0.000 0.982 374 Q CA 2.263 58.119 55.803 0.089 0.000 0.850 374 Q CB -0.154 28.655 28.738 0.118 0.000 0.901 374 Q HN 0.624 nan 8.270 nan 0.000 0.422 375 D N 0.268 120.760 120.400 0.152 0.000 2.117 375 D HA -0.109 4.538 4.640 0.012 0.000 0.198 375 D C 1.922 178.188 176.300 -0.057 0.000 0.982 375 D CA 1.026 55.127 54.000 0.169 0.000 0.828 375 D CB -0.144 40.741 40.800 0.141 0.000 0.967 375 D HN 0.365 nan 8.370 nan 0.000 0.464 376 I N 0.676 121.187 120.570 -0.098 0.000 2.286 376 I HA -0.221 3.956 4.170 0.012 0.000 0.248 376 I C 2.338 178.309 176.117 -0.244 0.000 1.115 376 I CA 0.543 61.674 61.300 -0.282 0.000 1.392 376 I CB -0.074 37.629 38.000 -0.495 0.000 1.065 376 I HN -0.002 nan 8.210 nan 0.000 0.418 377 L N 0.075 121.197 121.223 -0.168 0.000 1.994 377 L HA -0.242 4.105 4.340 0.012 0.000 0.208 377 L C 2.551 179.484 176.870 0.106 0.000 1.071 377 L CA 1.480 56.313 54.840 -0.011 0.000 0.745 377 L CB -0.622 41.461 42.059 0.041 0.000 0.892 377 L HN 0.258 nan 8.230 nan 0.000 0.431 378 L N -1.003 120.313 121.223 0.154 0.000 2.083 378 L HA -0.240 4.107 4.340 0.012 0.000 0.209 378 L C 2.673 179.716 176.870 0.288 0.000 1.083 378 L CA 1.294 56.310 54.840 0.294 0.000 0.752 378 L CB -0.268 42.081 42.059 0.482 0.000 0.899 378 L HN 0.293 nan 8.230 nan 0.000 0.433 379 M N -0.752 118.839 119.600 -0.015 0.000 2.086 379 M HA -0.238 4.249 4.480 0.012 0.000 0.261 379 M C 2.262 178.631 176.300 0.114 0.000 1.067 379 M CA 1.850 57.066 55.300 -0.140 0.000 1.116 379 M CB -0.274 31.997 32.600 -0.548 0.000 1.348 379 M HN 0.060 nan 8.290 nan 0.000 0.407 380 K N -0.079 120.287 120.400 -0.056 0.000 2.097 380 K HA -0.164 4.163 4.320 0.012 0.000 0.205 380 K C 1.959 178.505 176.600 -0.090 0.000 1.050 380 K CA 1.239 57.382 56.287 -0.239 0.000 0.938 380 K CB -0.218 31.927 32.500 -0.592 0.000 0.718 380 K HN 0.438 nan 8.250 nan 0.000 0.442 381 Q N 0.419 120.349 119.800 0.216 0.000 2.291 381 Q HA -0.066 4.281 4.340 0.012 0.000 0.206 381 Q C 0.800 177.097 176.000 0.494 0.000 0.976 381 Q CA 0.811 56.873 55.803 0.432 0.000 0.875 381 Q CB 0.084 29.059 28.738 0.396 0.000 0.927 381 Q HN 0.287 nan 8.270 nan 0.000 0.450 382 N N 0.447 119.387 118.700 0.399 0.000 2.273 382 N HA 0.055 4.802 4.740 0.012 0.000 0.231 382 N C -0.654 174.968 175.510 0.187 0.000 1.134 382 N CA 0.001 53.283 53.050 0.388 0.000 0.856 382 N CB 0.707 39.505 38.487 0.518 0.000 1.068 382 N HN 0.159 nan 8.380 nan 0.000 0.510 383 N N 0.244 119.059 118.700 0.190 0.000 2.741 383 N HA -0.187 4.560 4.740 0.012 0.000 0.250 383 N C -0.809 174.639 175.510 -0.102 0.000 1.115 383 N CA 0.827 53.946 53.050 0.115 0.000 0.724 383 N CB -1.754 36.734 38.487 0.002 0.000 1.090 383 N HN 0.257 nan 8.380 nan 0.000 0.558 384 F N 1.137 121.114 119.950 0.045 0.000 2.375 384 F HA 0.287 4.820 4.527 0.011 0.000 0.333 384 F C 1.808 177.609 175.800 0.003 0.000 1.104 384 F CA -0.503 57.507 58.000 0.017 0.000 1.149 384 F CB 0.775 39.760 39.000 -0.025 0.000 1.190 384 F HN 0.053 nan 8.300 nan 0.000 0.533 385 N N 0.668 119.498 118.700 0.217 0.000 2.143 385 N HA 0.440 5.187 4.740 0.012 0.000 0.222 385 N C -0.874 174.709 175.510 0.121 0.000 1.264 385 N CA 0.019 53.129 53.050 0.101 0.000 0.897 385 N CB 0.774 39.367 38.487 0.178 0.000 1.092 385 N HN 0.482 nan 8.380 nan 0.000 0.516 386 A N -0.573 122.385 122.820 0.230 0.000 2.604 386 A HA 0.723 5.050 4.320 0.012 0.000 0.295 386 A C -1.870 175.953 177.584 0.397 0.000 1.067 386 A CA -0.680 51.557 52.037 0.332 0.000 0.683 386 A CB 1.719 20.937 19.000 0.362 0.000 1.281 386 A HN 0.190 nan 8.150 nan 0.000 0.407 387 V N 1.241 121.428 119.914 0.455 0.000 2.841 387 V HA 0.794 4.921 4.120 0.012 0.000 0.310 387 V C -0.559 175.662 176.094 0.212 0.000 1.090 387 V CA -0.690 61.816 62.300 0.343 0.000 0.930 387 V CB 1.866 33.825 31.823 0.227 0.000 1.014 387 V HN 1.100 nan 8.190 nan 0.000 0.425 388 R N 5.003 125.464 120.500 -0.064 0.000 2.338 388 R HA 0.462 4.809 4.340 0.012 0.000 0.317 388 R C -0.672 175.478 176.300 -0.251 0.000 0.968 388 R CA -0.457 55.418 56.100 -0.374 0.000 0.849 388 R CB 1.013 30.867 30.300 -0.743 0.000 1.128 388 R HN 0.799 nan 8.270 nan 0.000 0.448 389 C N 4.599 123.784 119.300 -0.192 0.000 3.329 389 C HA 0.102 4.569 4.460 0.012 0.000 0.537 389 C C 0.470 175.181 174.990 -0.466 0.000 1.034 389 C CA -0.372 58.485 59.018 -0.268 0.000 1.086 389 C CB -2.167 25.531 27.740 -0.069 0.000 1.392 389 C HN 0.729 nan 8.230 nan 0.000 0.612 390 S N 1.448 116.747 115.700 -0.667 0.000 2.488 390 S HA 0.201 4.678 4.470 0.012 0.000 0.278 390 S C -0.138 173.573 174.600 -1.483 0.000 1.259 390 S CA 0.018 57.564 58.200 -1.089 0.000 1.061 390 S CB 0.244 62.744 63.200 -1.166 0.000 0.910 390 S HN 0.722 nan 8.310 nan 0.000 0.491 391 H N 3.690 122.200 119.070 -0.933 0.000 2.439 391 H HA 0.339 4.901 4.556 0.011 0.000 0.230 391 H C -1.155 174.089 175.328 -0.140 0.000 1.420 391 H CA -0.335 55.520 56.048 -0.322 0.000 1.305 391 H CB -0.187 29.572 29.762 -0.005 0.000 1.667 391 H HN 0.892 nan 8.280 nan 0.000 0.515 392 Y N -2.806 117.595 120.300 0.170 0.000 2.765 392 Y HA 0.366 4.923 4.550 0.012 0.000 0.350 392 Y C -3.334 172.670 175.900 0.173 0.000 1.196 392 Y CA -2.976 55.231 58.100 0.178 0.000 1.119 392 Y CB 0.006 38.576 38.460 0.183 0.000 1.368 392 Y HN -0.073 nan 8.280 nan 0.000 0.463 393 P HA 0.149 nan 4.420 nan 0.000 0.268 393 P C -0.598 176.989 177.300 0.478 0.000 1.205 393 P CA 0.166 63.515 63.100 0.415 0.000 0.771 393 P CB 0.581 32.458 31.700 0.294 0.000 0.858 394 N N 0.456 119.442 118.700 0.477 0.000 2.447 394 N HA 0.089 4.836 4.740 0.012 0.000 0.271 394 N C 0.127 175.870 175.510 0.388 0.000 1.226 394 N CA -0.591 52.658 53.050 0.332 0.000 0.980 394 N CB 0.356 38.835 38.487 -0.013 0.000 1.206 394 N HN 0.595 nan 8.380 nan 0.000 0.558 395 H N 1.981 121.149 119.070 0.162 0.000 2.972 395 H HA -0.001 4.562 4.556 0.011 0.000 0.343 395 H C -1.611 173.880 175.328 0.272 0.000 1.054 395 H CA -0.720 55.412 56.048 0.140 0.000 1.412 395 H CB 1.055 30.864 29.762 0.079 0.000 1.385 395 H HN 0.435 nan 8.280 nan 0.000 0.600 396 P HA -0.204 nan 4.420 nan 0.000 0.217 396 P C 1.792 179.404 177.300 0.520 0.000 1.148 396 P CA 0.701 64.044 63.100 0.405 0.000 0.828 396 P CB 0.216 32.008 31.700 0.154 0.000 0.783 397 L N -1.044 120.560 121.223 0.635 0.000 2.265 397 L HA -0.046 4.301 4.340 0.012 0.000 0.215 397 L C 2.388 179.433 176.870 0.292 0.000 1.117 397 L CA 1.284 56.360 54.840 0.394 0.000 0.782 397 L CB -1.421 40.815 42.059 0.295 0.000 0.914 397 L HN 0.025 nan 8.230 nan 0.000 0.441 398 W N -0.427 120.905 121.300 0.052 0.000 2.318 398 W HA -0.354 4.313 4.660 0.011 0.000 0.313 398 W C 2.119 178.480 176.519 -0.263 0.000 1.221 398 W CA 2.099 59.332 57.345 -0.186 0.000 1.266 398 W CB -0.423 28.829 29.460 -0.346 0.000 1.150 398 W HN 0.269 nan 8.180 nan 0.000 0.496 399 Y N 0.740 120.973 120.300 -0.110 0.000 2.181 399 Y HA -0.229 4.328 4.550 0.011 0.000 0.288 399 Y C 2.855 178.529 175.900 -0.377 0.000 1.146 399 Y CA 2.202 60.011 58.100 -0.485 0.000 1.164 399 Y CB -1.302 36.505 38.460 -1.087 0.000 0.982 399 Y HN -0.208 nan 8.280 nan 0.000 0.515 400 T N 0.730 115.303 114.554 0.032 0.000 2.746 400 T HA -0.171 4.186 4.350 0.012 0.000 0.267 400 T C 2.002 176.748 174.700 0.078 0.000 1.039 400 T CA 1.490 63.686 62.100 0.160 0.000 1.142 400 T CB -0.579 68.429 68.868 0.234 0.000 0.866 400 T HN 0.235 nan 8.240 nan 0.000 0.444 401 L N 0.323 121.551 121.223 0.008 0.000 2.046 401 L HA -0.093 4.254 4.340 0.012 0.000 0.208 401 L C 2.845 179.685 176.870 -0.050 0.000 1.077 401 L CA 0.918 55.780 54.840 0.036 0.000 0.747 401 L CB -0.683 41.349 42.059 -0.045 0.000 0.896 401 L HN 0.372 nan 8.230 nan 0.000 0.432 402 C N -0.337 118.767 119.300 -0.326 0.000 2.435 402 C HA -0.113 4.354 4.460 0.012 0.000 0.279 402 C C 2.361 177.392 174.990 0.069 0.000 1.321 402 C CA 0.263 59.130 59.018 -0.252 0.000 1.752 402 C CB -0.779 26.706 27.740 -0.424 0.000 1.959 402 C HN 0.529 nan 8.230 nan 0.000 0.500 403 D N 0.616 121.068 120.400 0.086 0.000 2.144 403 D HA -0.085 4.562 4.640 0.012 0.000 0.199 403 D C 2.396 178.913 176.300 0.361 0.000 0.984 403 D CA 1.136 55.270 54.000 0.224 0.000 0.834 403 D CB -0.298 40.590 40.800 0.146 0.000 0.955 403 D HN 0.522 nan 8.370 nan 0.000 0.465 404 R N -0.938 119.665 120.500 0.173 0.000 2.080 404 R HA 0.011 4.358 4.340 0.012 0.000 0.222 404 R C 2.115 178.383 176.300 -0.054 0.000 1.107 404 R CA 0.604 56.736 56.100 0.053 0.000 0.980 404 R CB -0.201 30.056 30.300 -0.071 0.000 0.879 404 R HN 0.275 nan 8.270 nan 0.000 0.439 405 Y N -0.009 120.304 120.300 0.021 0.000 2.420 405 Y HA 0.149 4.706 4.550 0.011 0.000 0.292 405 Y C 1.020 176.855 175.900 -0.108 0.000 1.119 405 Y CA 0.802 58.886 58.100 -0.026 0.000 1.229 405 Y CB 0.566 38.982 38.460 -0.074 0.000 1.026 405 Y HN 0.249 nan 8.280 nan 0.000 0.554 406 G N 1.177 110.013 108.800 0.060 0.000 2.830 406 G HA2 -0.155 3.812 3.960 0.012 0.000 0.298 406 G HA3 -0.155 3.812 3.960 0.012 0.000 0.298 406 G C -1.171 173.579 174.900 -0.250 0.000 1.031 406 G CA -0.531 44.475 45.100 -0.157 0.000 1.179 406 G HN 0.175 nan 8.290 nan 0.000 0.527 407 L N 0.995 122.144 121.223 -0.122 0.000 2.455 407 L HA 0.501 4.848 4.340 0.012 0.000 0.264 407 L C -0.014 176.862 176.870 0.010 0.000 0.968 407 L CA -1.295 53.437 54.840 -0.180 0.000 0.827 407 L CB 1.987 43.956 42.059 -0.149 0.000 1.317 407 L HN 0.451 nan 8.230 nan 0.000 0.407 408 Y N 1.767 122.199 120.300 0.220 0.000 2.359 408 Y HA 0.388 4.946 4.550 0.013 0.000 0.330 408 Y C 0.185 176.213 175.900 0.215 0.000 1.143 408 Y CA -0.696 57.567 58.100 0.271 0.000 1.318 408 Y CB 1.320 39.920 38.460 0.233 0.000 1.234 408 Y HN 0.155 nan 8.280 nan 0.000 0.522 409 V N 4.348 124.454 119.914 0.320 0.000 2.604 409 V HA 0.307 4.434 4.120 0.012 0.000 0.305 409 V C -0.580 175.592 176.094 0.131 0.000 1.043 409 V CA -0.997 61.426 62.300 0.205 0.000 0.888 409 V CB 1.858 33.764 31.823 0.139 0.000 0.995 409 V HN 0.457 nan 8.190 nan 0.000 0.429 410 V N 3.367 123.326 119.914 0.075 0.000 2.333 410 V HA 0.337 4.464 4.120 0.012 0.000 0.274 410 V C -0.309 175.812 176.094 0.044 0.000 1.028 410 V CA -0.366 61.928 62.300 -0.010 0.000 0.851 410 V CB 1.418 33.134 31.823 -0.179 0.000 1.000 410 V HN 0.861 nan 8.190 nan 0.000 0.456 411 D N 4.161 124.629 120.400 0.113 0.000 2.280 411 D HA 0.323 4.970 4.640 0.012 0.000 0.243 411 D C -0.252 176.232 176.300 0.307 0.000 1.129 411 D CA -0.097 54.065 54.000 0.269 0.000 0.848 411 D CB 1.374 42.374 40.800 0.334 0.000 1.107 411 D HN 0.681 nan 8.370 nan 0.000 0.471 412 E N 1.772 122.122 120.200 0.250 0.000 2.210 412 E HA 0.620 4.977 4.350 0.012 0.000 0.266 412 E C -1.006 175.735 176.600 0.235 0.000 0.883 412 E CA -1.035 55.501 56.400 0.225 0.000 0.761 412 E CB 1.356 31.141 29.700 0.142 0.000 1.156 412 E HN 0.457 nan 8.360 nan 0.000 0.412 413 A N 3.892 126.843 122.820 0.218 0.000 2.445 413 A HA 0.067 4.394 4.320 0.012 0.000 0.242 413 A C 0.300 178.009 177.584 0.208 0.000 1.075 413 A CA -0.239 51.905 52.037 0.179 0.000 0.777 413 A CB 0.151 19.221 19.000 0.117 0.000 1.013 413 A HN 0.693 nan 8.150 nan 0.000 0.493 414 N N 1.408 120.238 118.700 0.216 0.000 2.971 414 N HA 0.260 5.007 4.740 0.012 0.000 0.294 414 N C -1.047 174.589 175.510 0.210 0.000 1.210 414 N CA 0.215 53.423 53.050 0.264 0.000 1.157 414 N CB -0.847 37.794 38.487 0.256 0.000 1.450 414 N HN 0.478 nan 8.380 nan 0.000 0.527 415 I N 0.907 121.596 120.570 0.199 0.000 2.497 415 I HA 0.279 4.456 4.170 0.012 0.000 0.284 415 I C -0.562 175.653 176.117 0.163 0.000 1.060 415 I CA -0.607 60.791 61.300 0.165 0.000 1.071 415 I CB 1.769 39.840 38.000 0.118 0.000 1.216 415 I HN 0.224 nan 8.210 nan 0.000 0.442 416 E N 4.282 124.573 120.200 0.151 0.000 2.287 416 E HA 0.394 4.751 4.350 0.012 0.000 0.274 416 E C -0.620 176.037 176.600 0.094 0.000 0.896 416 E CA -0.467 55.992 56.400 0.098 0.000 0.788 416 E CB 1.624 31.363 29.700 0.064 0.000 1.244 416 E HN 0.605 nan 8.360 nan 0.000 0.408 417 T N 0.606 115.207 114.554 0.078 0.000 3.448 417 T HA 0.162 4.519 4.350 0.012 0.000 0.271 417 T C 0.860 175.601 174.700 0.068 0.000 1.002 417 T CA -0.354 61.822 62.100 0.127 0.000 0.995 417 T CB -0.276 68.655 68.868 0.105 0.000 1.153 417 T HN 0.661 nan 8.240 nan 0.000 0.510 418 H N 1.239 120.215 119.070 -0.157 0.000 2.394 418 H HA -0.070 4.493 4.556 0.012 0.000 0.297 418 H C 2.277 177.485 175.328 -0.200 0.000 1.113 418 H CA 1.411 57.343 56.048 -0.194 0.000 1.277 418 H CB -0.156 29.447 29.762 -0.265 0.000 1.370 418 H HN 0.588 nan 8.280 nan 0.000 0.506 419 G N 0.024 108.705 108.800 -0.199 0.000 2.848 419 G HA2 -0.018 3.949 3.960 0.012 0.000 0.208 419 G HA3 -0.018 3.949 3.960 0.012 0.000 0.208 419 G C 0.438 175.471 174.900 0.221 0.000 1.152 419 G CA -0.180 44.854 45.100 -0.111 0.000 0.789 419 G HN 0.137 nan 8.290 nan 0.000 0.531 420 M N 0.234 119.997 119.600 0.271 0.000 2.198 420 M HA 0.361 4.848 4.480 0.012 0.000 0.315 420 M C -0.322 176.016 176.300 0.064 0.000 1.134 420 M CA -0.365 55.037 55.300 0.169 0.000 1.171 420 M CB 1.389 34.042 32.600 0.089 0.000 1.413 420 M HN -0.200 nan 8.290 nan 0.000 0.467 421 V N 3.226 123.154 119.914 0.023 0.000 2.524 421 V HA 0.364 4.491 4.120 0.012 0.000 0.297 421 V C -1.994 174.092 176.094 -0.013 0.000 1.035 421 V CA -1.302 60.998 62.300 -0.000 0.000 0.867 421 V CB 1.922 33.739 31.823 -0.010 0.000 1.004 421 V HN 0.739 nan 8.190 nan 0.000 0.426 422 P HA 0.197 nan 4.420 nan 0.000 0.274 422 P C 0.928 178.230 177.300 0.003 0.000 1.260 422 P CA -0.418 62.678 63.100 -0.007 0.000 0.793 422 P CB 1.035 32.732 31.700 -0.004 0.000 1.048 423 M N 0.615 120.221 119.600 0.010 0.000 2.279 423 M HA -0.153 4.334 4.480 0.012 0.000 0.264 423 M C 1.171 177.491 176.300 0.034 0.000 1.062 423 M CA 1.629 56.943 55.300 0.024 0.000 1.099 423 M CB -0.446 32.156 32.600 0.004 0.000 1.394 423 M HN 0.352 nan 8.290 nan 0.000 0.426 424 N N -0.114 118.608 118.700 0.036 0.000 2.313 424 N HA -0.065 4.682 4.740 0.012 0.000 0.207 424 N C 1.101 176.597 175.510 -0.022 0.000 1.141 424 N CA 0.104 53.179 53.050 0.041 0.000 0.830 424 N CB -0.709 37.822 38.487 0.073 0.000 1.008 424 N HN 0.366 nan 8.380 nan 0.000 0.481 425 R N 0.415 120.887 120.500 -0.047 0.000 2.091 425 R HA 0.001 4.348 4.340 0.012 0.000 0.238 425 R C 1.400 177.606 176.300 -0.157 0.000 1.136 425 R CA 1.299 57.347 56.100 -0.086 0.000 0.959 425 R CB -0.034 30.213 30.300 -0.089 0.000 0.856 425 R HN 0.287 nan 8.270 nan 0.000 0.437 426 L N -0.534 120.539 121.223 -0.251 0.000 2.202 426 L HA -0.008 4.339 4.340 0.012 0.000 0.205 426 L C 2.498 179.242 176.870 -0.210 0.000 1.083 426 L CA 1.318 55.895 54.840 -0.438 0.000 0.790 426 L CB -0.545 41.020 42.059 -0.822 0.000 0.942 426 L HN 0.359 nan 8.230 nan 0.000 0.452 427 T N -4.260 110.201 114.554 -0.155 0.000 3.007 427 T HA -0.166 4.191 4.350 0.012 0.000 0.270 427 T C 1.278 175.888 174.700 -0.149 0.000 1.107 427 T CA 1.214 63.203 62.100 -0.184 0.000 1.118 427 T CB -0.214 68.510 68.868 -0.239 0.000 0.889 427 T HN 0.112 nan 8.240 nan 0.000 0.506 428 D N 1.094 121.443 120.400 -0.084 0.000 2.349 428 D HA 0.102 4.749 4.640 0.012 0.000 0.214 428 D C -0.240 176.040 176.300 -0.034 0.000 1.063 428 D CA -0.202 53.758 54.000 -0.066 0.000 0.847 428 D CB -0.077 40.694 40.800 -0.049 0.000 0.933 428 D HN 0.334 nan 8.370 nan 0.000 0.513 429 D N -0.060 120.337 120.400 -0.005 0.000 2.329 429 D HA 0.123 4.770 4.640 0.012 0.000 0.232 429 D C -1.626 174.721 176.300 0.079 0.000 1.088 429 D CA -2.241 51.792 54.000 0.055 0.000 0.835 429 D CB 2.005 42.880 40.800 0.125 0.000 1.078 429 D HN -0.043 nan 8.370 nan 0.000 0.495 430 P HA -0.153 nan 4.420 nan 0.000 0.220 430 P C 0.968 178.266 177.300 -0.002 0.000 1.144 430 P CA 0.793 63.898 63.100 0.007 0.000 0.800 430 P CB 0.299 31.993 31.700 -0.009 0.000 0.772 431 R N -1.723 118.784 120.500 0.012 0.000 2.237 431 R HA -0.067 4.280 4.340 0.012 0.000 0.219 431 R C 1.495 177.659 176.300 -0.227 0.000 1.080 431 R CA 1.016 57.053 56.100 -0.105 0.000 0.995 431 R CB -0.666 29.559 30.300 -0.124 0.000 0.875 431 R HN 0.364 nan 8.270 nan 0.000 0.462 432 W N 0.131 121.375 121.300 -0.094 0.000 3.220 432 W HA 0.148 4.814 4.660 0.011 0.000 0.328 432 W C 1.516 177.974 176.519 -0.101 0.000 1.205 432 W CA -0.558 56.730 57.345 -0.094 0.000 1.773 432 W CB 0.032 29.435 29.460 -0.095 0.000 1.086 432 W HN -0.026 nan 8.180 nan 0.000 0.622 433 L N 2.199 123.440 121.223 0.031 0.000 2.083 433 L HA -0.028 4.319 4.340 0.012 0.000 0.209 433 L C -0.677 176.154 176.870 -0.066 0.000 1.083 433 L CA 2.145 56.968 54.840 -0.029 0.000 0.752 433 L CB -1.592 40.441 42.059 -0.044 0.000 0.899 433 L HN -0.233 nan 8.230 nan 0.000 0.433 434 P HA -0.145 nan 4.420 nan 0.000 0.215 434 P C 1.599 178.842 177.300 -0.095 0.000 1.157 434 P CA 2.145 65.180 63.100 -0.109 0.000 0.868 434 P CB -0.219 31.404 31.700 -0.127 0.000 0.788 435 A N -1.008 121.768 122.820 -0.073 0.000 1.902 435 A HA -0.174 4.153 4.320 0.012 0.000 0.217 435 A C 2.252 179.848 177.584 0.020 0.000 1.181 435 A CA 1.903 53.933 52.037 -0.011 0.000 0.623 435 A CB -1.453 17.579 19.000 0.053 0.000 0.818 435 A HN 0.102 nan 8.150 nan 0.000 0.443 436 M N 0.315 119.933 119.600 0.030 0.000 2.132 436 M HA -0.145 4.342 4.480 0.012 0.000 0.263 436 M C 2.547 178.790 176.300 -0.096 0.000 1.065 436 M CA 1.682 56.974 55.300 -0.013 0.000 1.122 436 M CB -0.391 32.180 32.600 -0.047 0.000 1.365 436 M HN 0.661 nan 8.290 nan 0.000 0.411 437 S N 0.416 116.031 115.700 -0.142 0.000 2.374 437 S HA -0.214 4.263 4.470 0.012 0.000 0.227 437 S C 1.670 176.101 174.600 -0.283 0.000 1.037 437 S CA 1.554 59.602 58.200 -0.254 0.000 1.024 437 S CB -0.728 62.293 63.200 -0.298 0.000 0.861 437 S HN 0.506 nan 8.310 nan 0.000 0.456 438 E N 1.155 121.239 120.200 -0.193 0.000 2.118 438 E HA -0.138 4.219 4.350 0.012 0.000 0.195 438 E C 2.433 178.946 176.600 -0.144 0.000 0.992 438 E CA 1.103 57.399 56.400 -0.173 0.000 0.804 438 E CB -0.164 29.471 29.700 -0.107 0.000 0.741 438 E HN 0.603 nan 8.360 nan 0.000 0.458 439 R N 0.031 120.475 120.500 -0.092 0.000 2.115 439 R HA -0.074 4.273 4.340 0.012 0.000 0.230 439 R C 2.350 178.606 176.300 -0.073 0.000 1.111 439 R CA 0.754 56.829 56.100 -0.041 0.000 0.976 439 R CB -0.027 30.289 30.300 0.027 0.000 0.870 439 R HN 0.012 nan 8.270 nan 0.000 0.445 440 V N 0.283 120.109 119.914 -0.148 0.000 2.331 440 V HA -0.190 3.937 4.120 0.012 0.000 0.242 440 V C 2.530 178.443 176.094 -0.303 0.000 1.034 440 V CA 2.148 64.339 62.300 -0.181 0.000 1.027 440 V CB -0.382 31.323 31.823 -0.197 0.000 0.667 440 V HN 0.532 nan 8.190 nan 0.000 0.457 441 T N -0.610 113.635 114.554 -0.515 0.000 2.746 441 T HA -0.253 4.104 4.350 0.012 0.000 0.267 441 T C 1.943 176.468 174.700 -0.292 0.000 1.039 441 T CA 1.500 63.193 62.100 -0.679 0.000 1.142 441 T CB -0.427 67.844 68.868 -0.995 0.000 0.866 441 T HN 0.414 nan 8.240 nan 0.000 0.444 442 R N 0.270 120.632 120.500 -0.231 0.000 2.148 442 R HA 0.179 4.526 4.340 0.012 0.000 0.227 442 R C 2.664 178.882 176.300 -0.138 0.000 1.103 442 R CA 1.426 57.429 56.100 -0.161 0.000 0.983 442 R CB -0.471 29.745 30.300 -0.141 0.000 0.874 442 R HN 0.508 nan 8.270 nan 0.000 0.451 443 M N 0.610 120.138 119.600 -0.120 0.000 2.077 443 M HA -0.137 4.350 4.480 0.012 0.000 0.261 443 M C 1.896 178.120 176.300 -0.126 0.000 1.070 443 M CA 1.667 56.929 55.300 -0.064 0.000 1.125 443 M CB 0.053 32.662 32.600 0.015 0.000 1.339 443 M HN -0.032 nan 8.290 nan 0.000 0.409 444 V N 1.166 120.896 119.914 -0.306 0.000 2.332 444 V HA -0.299 3.828 4.120 0.012 0.000 0.248 444 V C 2.315 178.288 176.094 -0.203 0.000 1.055 444 V CA 2.079 64.068 62.300 -0.519 0.000 1.038 444 V CB -0.995 30.498 31.823 -0.549 0.000 0.651 444 V HN 0.601 nan 8.190 nan 0.000 0.450 445 Q N -0.612 119.106 119.800 -0.137 0.000 2.181 445 Q HA -0.245 4.102 4.340 0.012 0.000 0.205 445 Q C 2.477 178.375 176.000 -0.170 0.000 0.980 445 Q CA 1.746 57.470 55.803 -0.131 0.000 0.862 445 Q CB -0.206 28.477 28.738 -0.092 0.000 0.905 445 Q HN 0.551 nan 8.270 nan 0.000 0.429 446 R N 0.245 120.644 120.500 -0.168 0.000 2.100 446 R HA -0.082 4.265 4.340 0.012 0.000 0.220 446 R C 0.440 176.660 176.300 -0.135 0.000 1.091 446 R CA 1.232 57.212 56.100 -0.201 0.000 0.986 446 R CB 0.453 30.636 30.300 -0.195 0.000 0.888 446 R HN 0.135 nan 8.270 nan 0.000 0.444 447 D N -0.209 120.179 120.400 -0.020 0.000 2.395 447 D HA 0.006 4.653 4.640 0.012 0.000 0.213 447 D C 1.230 177.639 176.300 0.182 0.000 1.110 447 D CA 0.054 54.088 54.000 0.057 0.000 0.835 447 D CB 0.341 41.114 40.800 -0.046 0.000 0.965 447 D HN 0.361 nan 8.370 nan 0.000 0.505 448 R N 0.556 121.172 120.500 0.193 0.000 2.241 448 R HA 0.010 4.357 4.340 0.012 0.000 0.224 448 R C 0.719 177.022 176.300 0.005 0.000 1.101 448 R CA 0.898 57.124 56.100 0.210 0.000 0.995 448 R CB -0.230 30.127 30.300 0.094 0.000 0.870 448 R HN -0.103 nan 8.270 nan 0.000 0.463 449 N N 0.270 118.897 118.700 -0.122 0.000 2.336 449 N HA 0.007 4.754 4.740 0.012 0.000 0.189 449 N C -0.570 174.822 175.510 -0.198 0.000 1.113 449 N CA 0.216 53.170 53.050 -0.160 0.000 0.858 449 N CB 0.120 38.485 38.487 -0.202 0.000 0.970 449 N HN 0.277 nan 8.380 nan 0.000 0.471 450 H N 1.243 120.252 119.070 -0.102 0.000 2.742 450 H HA 0.119 4.682 4.556 0.011 0.000 0.302 450 H C -1.214 173.966 175.328 -0.247 0.000 1.069 450 H CA -1.352 54.620 56.048 -0.127 0.000 1.446 450 H CB 1.545 31.263 29.762 -0.073 0.000 1.462 450 H HN 0.034 nan 8.280 nan 0.000 0.499 451 P HA -0.153 nan 4.420 nan 0.000 0.220 451 P C 1.440 178.257 177.300 -0.806 0.000 1.148 451 P CA 1.112 63.850 63.100 -0.603 0.000 0.803 451 P CB 0.267 31.341 31.700 -1.044 0.000 0.782 452 S N -0.799 114.533 115.700 -0.613 0.000 2.419 452 S HA -0.056 4.421 4.470 0.012 0.000 0.233 452 S C 1.121 175.689 174.600 -0.053 0.000 1.016 452 S CA 0.446 58.477 58.200 -0.281 0.000 0.974 452 S CB -1.554 61.635 63.200 -0.017 0.000 0.786 452 S HN -0.058 nan 8.310 nan 0.000 0.492 453 V N 3.614 123.470 119.914 -0.097 0.000 2.446 453 V HA 0.209 4.336 4.120 0.012 0.000 0.276 453 V C 1.127 177.089 176.094 -0.221 0.000 1.030 453 V CA 0.110 62.322 62.300 -0.146 0.000 1.033 453 V CB 0.351 32.003 31.823 -0.285 0.000 0.993 453 V HN 0.635 nan 8.190 nan 0.000 0.477 454 I N 2.671 123.162 120.570 -0.131 0.000 4.187 454 I HA 0.509 4.686 4.170 0.012 0.000 0.326 454 I C 0.399 176.403 176.117 -0.189 0.000 1.302 454 I CA 0.516 61.747 61.300 -0.115 0.000 1.196 454 I CB 0.508 38.523 38.000 0.025 0.000 1.095 454 I HN 0.321 nan 8.210 nan 0.000 0.411 455 I N 0.171 120.606 120.570 -0.225 0.000 2.722 455 I HA 0.361 4.538 4.170 0.012 0.000 0.295 455 I C -1.599 174.403 176.117 -0.191 0.000 1.161 455 I CA -0.409 60.794 61.300 -0.161 0.000 1.032 455 I CB 2.179 40.179 38.000 0.001 0.000 1.244 455 I HN 0.022 nan 8.210 nan 0.000 0.421 456 W N 3.964 125.313 121.300 0.082 0.000 2.496 456 W HA 0.620 5.286 4.660 0.010 0.000 0.327 456 W C 0.357 176.941 176.519 0.109 0.000 1.086 456 W CA -0.623 56.776 57.345 0.090 0.000 1.222 456 W CB 1.736 31.244 29.460 0.081 0.000 1.304 456 W HN 0.298 nan 8.180 nan 0.000 0.547 457 S N 2.777 118.709 115.700 0.386 0.000 2.503 457 S HA 0.416 4.893 4.470 0.012 0.000 0.301 457 S C 0.238 175.012 174.600 0.289 0.000 1.087 457 S CA -0.711 57.667 58.200 0.297 0.000 1.042 457 S CB 0.834 64.160 63.200 0.211 0.000 1.043 457 S HN 0.581 nan 8.310 nan 0.000 0.489 458 L N 4.055 125.448 121.223 0.283 0.000 2.650 458 L HA 0.343 4.690 4.340 0.012 0.000 0.235 458 L C 1.376 178.321 176.870 0.126 0.000 1.149 458 L CA 0.465 55.392 54.840 0.144 0.000 0.887 458 L CB -1.194 40.849 42.059 -0.028 0.000 1.021 458 L HN 1.006 nan 8.230 nan 0.000 0.441 459 G N 0.167 109.122 108.800 0.258 0.000 2.306 459 G HA2 -0.144 3.823 3.960 0.012 0.000 0.262 459 G HA3 -0.144 3.823 3.960 0.012 0.000 0.262 459 G C -1.558 173.539 174.900 0.328 0.000 1.263 459 G CA -0.530 44.721 45.100 0.253 0.000 1.088 459 G HN 0.201 nan 8.290 nan 0.000 0.489 460 N N 0.086 118.916 118.700 0.217 0.000 2.367 460 N HA 0.470 5.217 4.740 0.012 0.000 0.278 460 N C -0.487 174.968 175.510 -0.092 0.000 1.117 460 N CA 0.127 53.163 53.050 -0.023 0.000 0.867 460 N CB 1.562 39.782 38.487 -0.445 0.000 1.649 460 N HN 0.912 nan 8.380 nan 0.000 0.479 461 E N 0.751 120.805 120.200 -0.243 0.000 2.202 461 E HA -0.178 4.179 4.350 0.012 0.000 0.169 461 E C -0.839 175.661 176.600 -0.167 0.000 1.536 461 E CA 0.802 56.974 56.400 -0.378 0.000 0.664 461 E CB -1.273 27.939 29.700 -0.814 0.000 1.064 461 E HN 0.440 nan 8.360 nan 0.000 0.327 462 S N 0.174 115.920 115.700 0.077 0.000 2.902 462 S HA 0.401 4.878 4.470 0.012 0.000 0.250 462 S C 0.678 175.439 174.600 0.268 0.000 1.046 462 S CA -0.207 58.105 58.200 0.188 0.000 1.069 462 S CB 1.371 64.743 63.200 0.286 0.000 0.967 462 S HN 0.853 nan 8.310 nan 0.000 0.530 463 G N 2.032 110.919 108.800 0.145 0.000 2.598 463 G HA2 -0.275 3.692 3.960 0.012 0.000 0.269 463 G HA3 -0.275 3.692 3.960 0.012 0.000 0.269 463 G C -0.470 174.627 174.900 0.328 0.000 1.289 463 G CA -0.036 45.158 45.100 0.156 0.000 0.926 463 G HN 0.656 nan 8.290 nan 0.000 0.567 464 H N 0.465 119.652 119.070 0.195 0.000 2.800 464 H HA 0.564 5.127 4.556 0.011 0.000 0.322 464 H C 0.328 175.825 175.328 0.282 0.000 0.979 464 H CA -0.107 56.098 56.048 0.263 0.000 1.277 464 H CB 0.616 30.468 29.762 0.150 0.000 1.484 464 H HN 0.995 nan 8.280 nan 0.000 0.512 465 G N 1.600 110.515 108.800 0.191 0.000 2.473 465 G HA2 0.443 4.410 3.960 0.012 0.000 0.321 465 G HA3 0.443 4.410 3.960 0.012 0.000 0.321 465 G C 0.653 175.420 174.900 -0.222 0.000 1.200 465 G CA -0.143 44.895 45.100 -0.103 0.000 0.963 465 G HN 0.694 nan 8.290 nan 0.000 0.483 466 A N 0.743 123.459 122.820 -0.173 0.000 2.076 466 A HA -0.107 4.220 4.320 0.012 0.000 0.220 466 A C 2.123 179.668 177.584 -0.064 0.000 1.160 466 A CA 1.768 53.741 52.037 -0.107 0.000 0.653 466 A CB -0.372 18.592 19.000 -0.060 0.000 0.801 466 A HN 0.542 nan 8.150 nan 0.000 0.455 467 N N -0.297 118.329 118.700 -0.124 0.000 2.223 467 N HA -0.134 4.613 4.740 0.012 0.000 0.185 467 N C 1.352 176.779 175.510 -0.138 0.000 1.016 467 N CA 1.651 54.615 53.050 -0.144 0.000 0.863 467 N CB -0.610 37.750 38.487 -0.212 0.000 0.983 467 N HN 0.788 nan 8.380 nan 0.000 0.429 468 H N 0.183 119.225 119.070 -0.047 0.000 2.389 468 H HA 0.006 4.569 4.556 0.011 0.000 0.299 468 H C 1.226 176.618 175.328 0.107 0.000 1.081 468 H CA 1.137 57.171 56.048 -0.023 0.000 1.345 468 H CB 0.182 29.934 29.762 -0.017 0.000 1.393 468 H HN 0.171 nan 8.280 nan 0.000 0.520 469 D N 0.460 121.002 120.400 0.237 0.000 2.117 469 D HA -0.131 4.516 4.640 0.012 0.000 0.197 469 D C 2.301 178.748 176.300 0.245 0.000 0.987 469 D CA 1.194 55.340 54.000 0.243 0.000 0.829 469 D CB -0.386 40.514 40.800 0.166 0.000 0.961 469 D HN 0.424 nan 8.370 nan 0.000 0.460 470 A N 0.847 123.757 122.820 0.151 0.000 1.877 470 A HA -0.121 4.206 4.320 0.012 0.000 0.216 470 A C 2.426 180.115 177.584 0.174 0.000 1.186 470 A CA 0.958 53.076 52.037 0.135 0.000 0.620 470 A CB -0.776 18.260 19.000 0.060 0.000 0.822 470 A HN 0.195 nan 8.150 nan 0.000 0.443 471 L N -2.095 119.214 121.223 0.143 0.000 2.109 471 L HA -0.153 4.194 4.340 0.012 0.000 0.207 471 L C 2.575 179.580 176.870 0.225 0.000 1.086 471 L CA 1.559 56.485 54.840 0.143 0.000 0.760 471 L CB -0.711 41.362 42.059 0.024 0.000 0.910 471 L HN 0.612 nan 8.230 nan 0.000 0.437 472 Y N 1.364 121.749 120.300 0.142 0.000 2.081 472 Y HA -0.360 4.196 4.550 0.009 0.000 0.280 472 Y C 2.824 178.807 175.900 0.138 0.000 1.163 472 Y CA 1.970 60.157 58.100 0.146 0.000 1.135 472 Y CB -0.197 38.353 38.460 0.150 0.000 0.970 472 Y HN -0.034 nan 8.280 nan 0.000 0.498 473 R N -0.285 120.313 120.500 0.163 0.000 2.092 473 R HA -0.185 4.162 4.340 0.012 0.000 0.231 473 R C 2.033 178.337 176.300 0.007 0.000 1.119 473 R CA 1.816 57.945 56.100 0.049 0.000 0.970 473 R CB -1.347 29.065 30.300 0.188 0.000 0.864 473 R HN 0.652 nan 8.270 nan 0.000 0.440 474 W N 0.416 121.670 121.300 -0.077 0.000 2.355 474 W HA -0.122 4.546 4.660 0.012 0.000 0.309 474 W C 1.572 177.995 176.519 -0.159 0.000 1.206 474 W CA 1.828 59.114 57.345 -0.098 0.000 1.284 474 W CB -0.224 29.181 29.460 -0.091 0.000 1.145 474 W HN 0.064 nan 8.180 nan 0.000 0.502 475 I N 0.823 121.392 120.570 -0.002 0.000 2.179 475 I HA -0.340 3.837 4.170 0.012 0.000 0.242 475 I C 2.421 178.324 176.117 -0.357 0.000 1.088 475 I CA 1.338 62.474 61.300 -0.273 0.000 1.357 475 I CB -0.701 37.208 38.000 -0.152 0.000 1.051 475 I HN -0.110 nan 8.210 nan 0.000 0.409 476 K N 0.596 120.803 120.400 -0.323 0.000 2.152 476 K HA -0.119 4.208 4.320 0.012 0.000 0.206 476 K C 2.230 178.688 176.600 -0.236 0.000 1.048 476 K CA 1.343 57.464 56.287 -0.278 0.000 0.933 476 K CB -0.429 31.868 32.500 -0.337 0.000 0.721 476 K HN 0.261 nan 8.250 nan 0.000 0.447 477 S N 0.902 116.427 115.700 -0.291 0.000 2.377 477 S HA -0.082 4.395 4.470 0.012 0.000 0.223 477 S C 2.172 176.553 174.600 -0.366 0.000 1.030 477 S CA 1.208 59.239 58.200 -0.281 0.000 0.970 477 S CB -0.191 62.839 63.200 -0.283 0.000 0.830 477 S HN 0.298 nan 8.310 nan 0.000 0.473 478 V N -0.089 119.453 119.914 -0.621 0.000 2.719 478 V HA 0.132 4.259 4.120 0.012 0.000 0.252 478 V C 0.294 176.154 176.094 -0.391 0.000 1.065 478 V CA 1.397 63.325 62.300 -0.620 0.000 1.086 478 V CB -0.314 30.875 31.823 -1.058 0.000 0.700 478 V HN 0.310 nan 8.190 nan 0.000 0.467 479 D N 0.552 120.769 120.400 -0.305 0.000 2.364 479 D HA 0.373 5.020 4.640 0.012 0.000 0.251 479 D C -2.295 173.987 176.300 -0.030 0.000 1.282 479 D CA -1.799 52.134 54.000 -0.112 0.000 0.927 479 D CB 1.694 42.508 40.800 0.023 0.000 1.267 479 D HN 0.181 nan 8.370 nan 0.000 0.531 480 P HA -0.003 nan 4.420 nan 0.000 0.242 480 P C 1.004 178.323 177.300 0.032 0.000 1.197 480 P CA 0.370 63.462 63.100 -0.013 0.000 0.765 480 P CB 0.102 31.788 31.700 -0.023 0.000 0.936 481 S N -1.404 114.327 115.700 0.052 0.000 2.562 481 S HA 0.112 4.589 4.470 0.012 0.000 0.221 481 S C 0.846 175.478 174.600 0.053 0.000 0.975 481 S CA -0.207 58.028 58.200 0.058 0.000 0.918 481 S CB -0.284 62.945 63.200 0.049 0.000 0.772 481 S HN 0.059 nan 8.310 nan 0.000 0.531 482 R N 0.975 121.519 120.500 0.073 0.000 2.673 482 R HA 0.566 4.913 4.340 0.012 0.000 0.281 482 R C -3.229 173.124 176.300 0.087 0.000 0.991 482 R CA -2.133 53.978 56.100 0.017 0.000 0.896 482 R CB 1.543 31.738 30.300 -0.175 0.000 1.201 482 R HN 0.131 nan 8.270 nan 0.000 0.457 483 P HA 0.137 nan 4.420 nan 0.000 0.274 483 P C -0.891 176.512 177.300 0.172 0.000 1.246 483 P CA -0.434 62.731 63.100 0.108 0.000 0.795 483 P CB 0.744 32.494 31.700 0.083 0.000 1.006 484 V N 1.996 122.040 119.914 0.217 0.000 2.555 484 V HA 0.424 4.551 4.120 0.012 0.000 0.302 484 V C 0.152 176.432 176.094 0.310 0.000 1.038 484 V CA -0.333 62.144 62.300 0.295 0.000 0.887 484 V CB 1.279 33.247 31.823 0.242 0.000 0.991 484 V HN 0.607 nan 8.190 nan 0.000 0.434 485 Q N 3.497 123.462 119.800 0.275 0.000 2.458 485 Q HA 0.827 5.174 4.340 0.012 0.000 0.282 485 Q C -1.819 174.347 176.000 0.276 0.000 1.106 485 Q CA -0.955 54.976 55.803 0.213 0.000 0.814 485 Q CB 2.985 31.792 28.738 0.116 0.000 1.425 485 Q HN 0.625 nan 8.270 nan 0.000 0.437 486 Y N -0.067 120.247 120.300 0.023 0.000 2.337 486 Y HA 0.126 4.682 4.550 0.010 0.000 0.318 486 Y C -0.602 175.241 175.900 -0.095 0.000 1.258 486 Y CA -0.751 57.330 58.100 -0.032 0.000 1.132 486 Y CB 1.893 40.329 38.460 -0.041 0.000 1.307 486 Y HN 0.949 nan 8.280 nan 0.000 0.428 487 E N 3.399 123.091 120.200 -0.847 0.000 2.250 487 E HA 0.133 4.490 4.350 0.012 0.000 0.192 487 E C 0.712 176.857 176.600 -0.758 0.000 0.986 487 E CA 0.821 56.836 56.400 -0.641 0.000 0.849 487 E CB 0.216 29.683 29.700 -0.387 0.000 0.797 487 E HN 0.888 nan 8.360 nan 0.000 0.482 488 G N -0.132 107.824 108.800 -1.405 0.000 2.562 488 G HA2 0.217 4.184 3.960 0.012 0.000 0.233 488 G HA3 0.217 4.184 3.960 0.012 0.000 0.233 488 G C 0.812 175.555 174.900 -0.261 0.000 1.266 488 G CA 0.346 45.038 45.100 -0.680 0.000 0.852 488 G HN 0.374 nan 8.290 nan 0.000 0.581 489 G N -0.588 108.164 108.800 -0.080 0.000 2.160 489 G HA2 0.229 4.196 3.960 0.012 0.000 0.251 489 G HA3 0.229 4.196 3.960 0.012 0.000 0.251 489 G C 1.290 176.192 174.900 0.003 0.000 1.008 489 G CA 0.989 46.104 45.100 0.025 0.000 0.724 489 G HN 2.652 nan 8.290 nan 0.000 0.514 490 G N -1.457 107.339 108.800 -0.007 0.000 2.175 490 G HA2 0.427 4.394 3.960 0.012 0.000 0.182 490 G HA3 0.427 4.394 3.960 0.012 0.000 0.182 490 G C 1.084 176.104 174.900 0.200 0.000 1.003 490 G CA 1.219 46.382 45.100 0.105 0.000 0.666 490 G HN 2.358 nan 8.290 nan 0.000 0.506 491 A N -0.335 122.480 122.820 -0.010 0.000 3.413 491 A HA -0.089 4.238 4.320 0.012 0.000 0.268 491 A C 1.099 178.612 177.584 -0.118 0.000 1.128 491 A CA 2.649 54.618 52.037 -0.113 0.000 1.062 491 A CB -1.722 17.180 19.000 -0.163 0.000 1.121 491 A HN 2.157 nan 8.150 nan 0.000 0.895 492 D N -1.385 119.022 120.400 0.012 0.000 2.712 492 D HA 0.289 4.936 4.640 0.012 0.000 0.300 492 D C 0.372 176.667 176.300 -0.008 0.000 1.521 492 D CA 0.812 54.828 54.000 0.028 0.000 0.790 492 D CB -1.187 39.770 40.800 0.261 0.000 1.155 492 D HN 0.823 nan 8.370 nan 0.000 0.456 493 T N -2.294 112.186 114.554 -0.124 0.000 2.689 493 T HA 0.230 4.587 4.350 0.012 0.000 0.308 493 T C 1.554 176.121 174.700 -0.222 0.000 1.021 493 T CA 0.473 62.431 62.100 -0.237 0.000 0.973 493 T CB 0.764 69.236 68.868 -0.660 0.000 1.113 493 T HN 0.072 nan 8.240 nan 0.000 0.522 494 T N -2.549 111.875 114.554 -0.216 0.000 3.160 494 T HA 0.271 4.628 4.350 0.012 0.000 0.257 494 T C 1.466 175.932 174.700 -0.390 0.000 1.147 494 T CA 0.185 62.168 62.100 -0.195 0.000 1.064 494 T CB -0.465 68.367 68.868 -0.059 0.000 0.949 494 T HN 0.819 nan 8.240 nan 0.000 0.526 495 A N 0.491 123.114 122.820 -0.328 0.000 2.460 495 A HA 0.513 4.840 4.320 0.012 0.000 0.258 495 A C 0.807 178.266 177.584 -0.208 0.000 1.300 495 A CA -0.326 51.515 52.037 -0.325 0.000 0.913 495 A CB 0.073 19.147 19.000 0.124 0.000 1.031 495 A HN 0.419 nan 8.150 nan 0.000 0.512 496 T N -1.465 112.955 114.554 -0.224 0.000 2.916 496 T HA 0.376 4.733 4.350 0.012 0.000 0.298 496 T C -0.585 174.137 174.700 0.036 0.000 1.031 496 T CA -0.434 61.675 62.100 0.015 0.000 0.993 496 T CB 1.301 70.166 68.868 -0.004 0.000 1.045 496 T HN 0.079 nan 8.240 nan 0.000 0.454 497 D N 2.678 123.184 120.400 0.176 0.000 2.348 497 D HA 0.274 4.921 4.640 0.012 0.000 0.211 497 D C 0.333 176.666 176.300 0.054 0.000 0.998 497 D CA 0.701 54.787 54.000 0.143 0.000 0.873 497 D CB 0.404 41.321 40.800 0.195 0.000 0.925 497 D HN 0.532 nan 8.370 nan 0.000 0.524 498 I N 0.939 121.523 120.570 0.023 0.000 2.545 498 I HA 0.258 4.435 4.170 0.012 0.000 0.292 498 I C -0.205 175.848 176.117 -0.107 0.000 1.040 498 I CA -0.913 60.366 61.300 -0.036 0.000 1.068 498 I CB 2.832 40.823 38.000 -0.016 0.000 1.251 498 I HN -0.353 nan 8.210 nan 0.000 0.424 499 I N 5.673 126.133 120.570 -0.183 0.000 2.505 499 I HA 0.047 4.224 4.170 0.012 0.000 0.287 499 I C 0.221 176.127 176.117 -0.353 0.000 1.104 499 I CA 0.024 61.118 61.300 -0.344 0.000 1.387 499 I CB 0.124 37.818 38.000 -0.510 0.000 1.404 499 I HN 0.679 nan 8.210 nan 0.000 0.528 500 C N 5.492 124.599 119.300 -0.320 0.000 3.401 500 C HA 0.469 4.936 4.460 0.012 0.000 0.204 500 C C -2.216 172.638 174.990 -0.228 0.000 1.522 500 C CA -2.307 56.578 59.018 -0.223 0.000 1.409 500 C CB -0.957 26.712 27.740 -0.119 0.000 1.967 500 C HN 0.403 nan 8.230 nan 0.000 0.496 501 P HA 0.299 nan 4.420 nan 0.000 0.272 501 P C -0.403 176.841 177.300 -0.093 0.000 1.240 501 P CA 0.377 63.370 63.100 -0.179 0.000 0.791 501 P CB 0.685 32.286 31.700 -0.165 0.000 0.978 502 M N 0.255 119.830 119.600 -0.042 0.000 2.181 502 M HA 0.457 4.944 4.480 0.012 0.000 0.323 502 M C -0.850 175.452 176.300 0.002 0.000 1.004 502 M CA -0.652 54.522 55.300 -0.209 0.000 0.941 502 M CB 1.183 33.662 32.600 -0.201 0.000 1.579 502 M HN 0.328 nan 8.290 nan 0.000 0.427 503 Y N -0.158 120.316 120.300 0.289 0.000 4.490 503 Y HA -0.220 4.338 4.550 0.012 0.000 0.233 503 Y C 0.520 176.600 175.900 0.300 0.000 1.101 503 Y CA 0.431 58.708 58.100 0.295 0.000 2.010 503 Y CB -2.211 36.398 38.460 0.249 0.000 1.622 503 Y HN 0.981 nan 8.280 nan 0.000 0.675 504 A N 1.152 124.194 122.820 0.370 0.000 2.440 504 A HA 0.570 4.897 4.320 0.012 0.000 0.251 504 A C 0.719 178.535 177.584 0.387 0.000 1.089 504 A CA -0.421 51.841 52.037 0.374 0.000 0.779 504 A CB 0.386 19.646 19.000 0.435 0.000 1.022 504 A HN 0.420 nan 8.150 nan 0.000 0.492 505 R N 1.408 122.062 120.500 0.257 0.000 2.583 505 R HA 0.330 4.677 4.340 0.012 0.000 0.268 505 R C 1.026 177.302 176.300 -0.039 0.000 1.101 505 R CA -0.699 55.480 56.100 0.131 0.000 1.180 505 R CB 0.555 30.897 30.300 0.070 0.000 1.128 505 R HN 0.480 nan 8.270 nan 0.000 0.568 506 V N 0.599 120.321 119.914 -0.320 0.000 2.283 506 V HA -0.195 3.932 4.120 0.012 0.000 0.243 506 V C 0.913 176.897 176.094 -0.185 0.000 1.039 506 V CA 1.862 63.946 62.300 -0.361 0.000 1.016 506 V CB -0.262 31.227 31.823 -0.556 0.000 0.650 506 V HN 0.750 nan 8.190 nan 0.000 0.449 507 D N -1.532 118.790 120.400 -0.130 0.000 2.479 507 D HA 0.107 4.754 4.640 0.012 0.000 0.221 507 D C 0.862 177.147 176.300 -0.026 0.000 1.104 507 D CA 0.041 53.999 54.000 -0.070 0.000 0.849 507 D CB 0.780 41.542 40.800 -0.063 0.000 1.072 507 D HN 0.475 nan 8.370 nan 0.000 0.502 508 E N 1.945 122.133 120.200 -0.019 0.000 2.174 508 E HA 0.115 4.472 4.350 0.012 0.000 0.282 508 E C -0.863 175.737 176.600 0.001 0.000 0.992 508 E CA -0.563 55.834 56.400 -0.004 0.000 0.803 508 E CB 0.988 30.686 29.700 -0.003 0.000 1.090 508 E HN -0.185 nan 8.360 nan 0.000 0.396 509 D N 3.651 124.051 120.400 0.001 0.000 2.304 509 D HA 0.120 4.767 4.640 0.012 0.000 0.247 509 D C -0.587 175.601 176.300 -0.188 0.000 1.089 509 D CA 0.188 54.176 54.000 -0.020 0.000 0.910 509 D CB 1.159 42.015 40.800 0.094 0.000 1.199 509 D HN 0.409 nan 8.370 nan 0.000 0.426 510 Q N 1.636 121.199 119.800 -0.394 0.000 2.674 510 Q HA 0.248 4.595 4.340 0.012 0.000 0.249 510 Q C -2.204 173.133 176.000 -1.105 0.000 1.011 510 Q CA -1.530 53.833 55.803 -0.734 0.000 0.734 510 Q CB 2.261 30.546 28.738 -0.755 0.000 1.201 510 Q HN 0.168 nan 8.270 nan 0.000 0.498 511 P HA -0.008 nan 4.420 nan 0.000 0.225 511 P C -0.676 176.322 177.300 -0.503 0.000 1.768 511 P CA -0.050 62.610 63.100 -0.733 0.000 0.943 511 P CB -0.567 30.902 31.700 -0.385 0.000 1.936 512 F N 2.752 122.525 119.950 -0.294 0.000 2.553 512 F HA 0.127 4.660 4.527 0.011 0.000 0.356 512 F C -0.945 174.745 175.800 -0.182 0.000 1.142 512 F CA -2.222 55.665 58.000 -0.188 0.000 1.322 512 F CB -0.402 38.503 39.000 -0.158 0.000 1.126 512 F HN 0.092 nan 8.300 nan 0.000 0.599 513 P HA 0.102 nan 4.420 nan 0.000 0.271 513 P C 0.243 177.559 177.300 0.026 0.000 1.216 513 P CA 0.877 63.992 63.100 0.025 0.000 0.776 513 P CB 1.392 33.107 31.700 0.025 0.000 0.881 514 A N 2.995 125.823 122.820 0.014 0.000 2.617 514 A HA -0.249 4.078 4.320 0.012 0.000 0.236 514 A C 0.745 178.340 177.584 0.017 0.000 0.551 514 A CA 1.973 54.023 52.037 0.022 0.000 1.144 514 A CB -2.725 16.288 19.000 0.023 0.000 1.384 514 A HN 0.681 nan 8.150 nan 0.000 0.694 515 V N -2.823 117.098 119.914 0.011 0.000 2.468 515 V HA 0.563 4.690 4.120 0.012 0.000 0.256 515 V C -2.294 173.800 176.094 -0.002 0.000 0.998 515 V CA -1.265 61.043 62.300 0.013 0.000 1.114 515 V CB 0.607 32.441 31.823 0.018 0.000 1.378 515 V HN 0.520 nan 8.190 nan 0.000 0.573 516 P HA 0.248 nan 4.420 nan 0.000 0.269 516 P C -0.628 176.259 177.300 -0.688 0.000 1.215 516 P CA 0.090 62.818 63.100 -0.621 0.000 0.780 516 P CB 1.066 31.908 31.700 -1.430 0.000 0.898 517 K N 2.231 122.271 120.400 -0.600 0.000 2.419 517 K HA 0.199 4.526 4.320 0.012 0.000 0.244 517 K C -0.408 175.915 176.600 -0.462 0.000 1.045 517 K CA -0.282 55.840 56.287 -0.275 0.000 1.004 517 K CB 0.386 32.989 32.500 0.172 0.000 1.376 517 K HN 0.473 nan 8.250 nan 0.000 0.460 518 W N 1.341 122.311 121.300 -0.550 0.000 2.126 518 W HA 0.032 4.700 4.660 0.013 0.000 0.346 518 W C 1.370 177.896 176.519 0.011 0.000 1.279 518 W CA -0.383 56.745 57.345 -0.361 0.000 1.259 518 W CB 0.403 29.482 29.460 -0.635 0.000 1.133 518 W HN 0.375 nan 8.180 nan 0.000 0.592 519 S N 3.129 118.986 115.700 0.261 0.000 2.573 519 S HA -0.105 4.372 4.470 0.012 0.000 0.297 519 S C 1.187 175.939 174.600 0.255 0.000 1.280 519 S CA -0.045 58.257 58.200 0.169 0.000 1.061 519 S CB 0.148 63.394 63.200 0.078 0.000 0.812 519 S HN 0.505 nan 8.310 nan 0.000 0.500 520 I N 2.075 122.758 120.570 0.189 0.000 2.361 520 I HA -0.121 4.056 4.170 0.012 0.000 0.251 520 I C 2.026 178.172 176.117 0.048 0.000 1.133 520 I CA 1.184 62.598 61.300 0.190 0.000 1.413 520 I CB -0.440 37.615 38.000 0.092 0.000 1.073 520 I HN 0.597 nan 8.210 nan 0.000 0.424 521 K N 1.598 121.924 120.400 -0.123 0.000 2.097 521 K HA -0.146 4.181 4.320 0.012 0.000 0.205 521 K C 2.299 178.880 176.600 -0.033 0.000 1.050 521 K CA 1.519 57.636 56.287 -0.284 0.000 0.938 521 K CB -0.178 32.049 32.500 -0.456 0.000 0.718 521 K HN 0.374 nan 8.250 nan 0.000 0.442 522 K N 0.252 120.664 120.400 0.020 0.000 2.103 522 K HA -0.167 4.160 4.320 0.012 0.000 0.204 522 K C 1.884 178.497 176.600 0.022 0.000 1.052 522 K CA 0.813 57.099 56.287 -0.002 0.000 0.945 522 K CB -0.072 32.397 32.500 -0.052 0.000 0.722 522 K HN 0.208 nan 8.250 nan 0.000 0.443 523 W N 2.204 123.479 121.300 -0.042 0.000 2.318 523 W HA -0.199 4.467 4.660 0.009 0.000 0.313 523 W C 1.680 178.175 176.519 -0.040 0.000 1.221 523 W CA 1.169 58.501 57.345 -0.021 0.000 1.266 523 W CB -0.669 28.862 29.460 0.119 0.000 1.150 523 W HN 0.087 nan 8.180 nan 0.000 0.496 524 L N 0.826 122.199 121.223 0.250 0.000 2.127 524 L HA -0.247 4.100 4.340 0.012 0.000 0.211 524 L C 2.232 179.164 176.870 0.105 0.000 1.089 524 L CA 1.969 56.894 54.840 0.140 0.000 0.757 524 L CB -0.930 41.197 42.059 0.113 0.000 0.899 524 L HN -0.010 nan 8.230 nan 0.000 0.434 525 S N -1.467 114.278 115.700 0.075 0.000 2.572 525 S HA 0.257 4.734 4.470 0.012 0.000 0.228 525 S C 0.561 175.146 174.600 -0.026 0.000 0.963 525 S CA -0.534 57.683 58.200 0.028 0.000 0.939 525 S CB -0.390 62.826 63.200 0.027 0.000 0.804 525 S HN 0.148 nan 8.310 nan 0.000 0.480 526 L N 2.022 123.216 121.223 -0.049 0.000 2.506 526 L HA 0.226 4.573 4.340 0.012 0.000 0.281 526 L C -2.209 174.625 176.870 -0.060 0.000 1.228 526 L CA -1.754 53.009 54.840 -0.129 0.000 0.850 526 L CB -0.324 41.625 42.059 -0.183 0.000 1.110 526 L HN 0.018 nan 8.230 nan 0.000 0.496 527 P HA -0.049 nan 4.420 nan 0.000 0.258 527 P C 0.734 178.025 177.300 -0.015 0.000 1.172 527 P CA 1.149 64.223 63.100 -0.042 0.000 0.762 527 P CB 0.430 32.100 31.700 -0.051 0.000 0.764 528 G N 1.755 110.553 108.800 -0.002 0.000 2.205 528 G HA2 -0.274 3.693 3.960 0.012 0.000 0.261 528 G HA3 -0.274 3.693 3.960 0.012 0.000 0.261 528 G C 0.262 175.176 174.900 0.023 0.000 0.980 528 G CA 0.154 45.261 45.100 0.011 0.000 0.632 528 G HN 0.614 nan 8.290 nan 0.000 0.533 529 E N 0.882 121.101 120.200 0.031 0.000 2.331 529 E HA 0.632 4.989 4.350 0.012 0.000 0.272 529 E C 1.301 177.924 176.600 0.039 0.000 1.036 529 E CA 0.559 56.989 56.400 0.050 0.000 0.864 529 E CB 0.873 30.627 29.700 0.090 0.000 1.035 529 E HN 0.532 nan 8.360 nan 0.000 0.408 530 T N 0.390 114.965 114.554 0.033 0.000 3.130 530 T HA 0.338 4.695 4.350 0.012 0.000 0.288 530 T C 0.517 175.226 174.700 0.015 0.000 0.936 530 T CA -0.480 61.635 62.100 0.024 0.000 0.897 530 T CB 0.055 68.936 68.868 0.022 0.000 1.178 530 T HN 0.249 nan 8.240 nan 0.000 0.543 531 R N 2.424 122.928 120.500 0.008 0.000 2.615 531 R HA 0.455 4.802 4.340 0.012 0.000 0.270 531 R C -2.508 173.772 176.300 -0.033 0.000 1.081 531 R CA -1.835 54.258 56.100 -0.011 0.000 1.154 531 R CB 0.141 30.427 30.300 -0.024 0.000 1.063 531 R HN 0.228 nan 8.270 nan 0.000 0.519 532 P HA 0.059 nan 4.420 nan 0.000 0.274 532 P C -1.044 176.186 177.300 -0.116 0.000 1.237 532 P CA -0.076 62.983 63.100 -0.068 0.000 0.793 532 P CB 0.684 32.344 31.700 -0.066 0.000 0.977 533 L N 2.653 123.788 121.223 -0.148 0.000 2.349 533 L HA 0.574 4.921 4.340 0.012 0.000 0.278 533 L C -0.982 175.744 176.870 -0.240 0.000 0.996 533 L CA -0.677 54.036 54.840 -0.212 0.000 0.825 533 L CB 0.593 42.523 42.059 -0.214 0.000 1.243 533 L HN 0.234 nan 8.230 nan 0.000 0.412 534 I N 5.614 126.047 120.570 -0.227 0.000 2.500 534 I HA 0.268 4.445 4.170 0.012 0.000 0.286 534 I C -0.782 175.239 176.117 -0.160 0.000 1.063 534 I CA -0.519 60.632 61.300 -0.250 0.000 1.062 534 I CB 1.997 39.902 38.000 -0.158 0.000 1.223 534 I HN 0.468 nan 8.210 nan 0.000 0.435 535 L N 5.555 126.658 121.223 -0.200 0.000 2.455 535 L HA 0.061 4.408 4.340 0.012 0.000 0.272 535 L C 1.446 178.395 176.870 0.132 0.000 1.174 535 L CA -0.149 54.646 54.840 -0.076 0.000 0.869 535 L CB 0.689 42.686 42.059 -0.103 0.000 1.130 535 L HN 0.864 nan 8.230 nan 0.000 0.474 536 C N -0.014 119.344 119.300 0.096 0.000 2.468 536 C HA 0.169 4.636 4.460 0.012 0.000 0.277 536 C C 0.587 175.721 174.990 0.241 0.000 1.400 536 C CA -0.250 58.873 59.018 0.175 0.000 1.770 536 C CB -1.121 26.628 27.740 0.016 0.000 1.905 536 C HN 0.821 nan 8.230 nan 0.000 0.519 537 E N -0.742 119.522 120.200 0.106 0.000 2.335 537 E HA 0.601 4.958 4.350 0.012 0.000 0.280 537 E C -1.407 175.120 176.600 -0.121 0.000 0.918 537 E CA -0.406 56.034 56.400 0.067 0.000 0.765 537 E CB 1.972 31.529 29.700 -0.239 0.000 1.218 537 E HN 0.673 nan 8.360 nan 0.000 0.425 538 Y N -1.206 119.074 120.300 -0.033 0.000 2.689 538 Y HA 0.640 5.198 4.550 0.013 0.000 0.333 538 Y C -0.677 175.407 175.900 0.308 0.000 1.208 538 Y CA -0.898 57.198 58.100 -0.007 0.000 1.055 538 Y CB 0.966 39.264 38.460 -0.269 0.000 1.304 538 Y HN 0.664 nan 8.280 nan 0.000 0.455 539 A N 1.849 124.763 122.820 0.157 0.000 2.360 539 A HA -0.261 4.066 4.320 0.012 0.000 0.289 539 A C -0.459 177.271 177.584 0.244 0.000 1.437 539 A CA 1.006 53.119 52.037 0.125 0.000 0.734 539 A CB -2.484 16.472 19.000 -0.073 0.000 1.145 539 A HN 1.095 nan 8.150 nan 0.000 0.374 540 H N 0.825 120.076 119.070 0.302 0.000 3.191 540 H HA 0.290 4.853 4.556 0.011 0.000 0.261 540 H C 1.071 176.484 175.328 0.142 0.000 1.013 540 H CA 0.809 57.047 56.048 0.317 0.000 1.457 540 H CB 0.395 30.224 29.762 0.113 0.000 1.535 540 H HN 0.815 nan 8.280 nan 0.000 0.518 541 A N 6.651 129.390 122.820 -0.136 0.000 2.840 541 A HA 0.070 4.397 4.320 0.012 0.000 0.269 541 A C 0.846 178.290 177.584 -0.235 0.000 1.439 541 A CA -0.410 51.522 52.037 -0.175 0.000 1.083 541 A CB -0.644 18.242 19.000 -0.190 0.000 1.019 541 A HN 0.799 nan 8.150 nan 0.000 0.607 542 M N 1.456 120.896 119.600 -0.267 0.000 2.156 542 M HA 0.455 4.942 4.480 0.012 0.000 0.345 542 M C 0.928 177.056 176.300 -0.288 0.000 1.398 542 M CA 1.249 56.391 55.300 -0.262 0.000 1.148 542 M CB -0.146 32.340 32.600 -0.191 0.000 1.663 542 M HN 0.838 nan 8.290 nan 0.000 0.464 543 G N 4.187 112.791 108.800 -0.327 0.000 2.539 543 G HA2 -0.327 3.640 3.960 0.012 0.000 0.256 543 G HA3 -0.327 3.640 3.960 0.012 0.000 0.256 543 G C -0.353 174.025 174.900 -0.870 0.000 1.233 543 G CA -0.038 44.688 45.100 -0.623 0.000 0.936 543 G HN 0.845 nan 8.290 nan 0.000 0.571 544 N N 1.099 119.158 118.700 -1.069 0.000 2.448 544 N HA 0.526 5.273 4.740 0.012 0.000 0.250 544 N C 0.053 175.306 175.510 -0.428 0.000 1.136 544 N CA 1.028 53.608 53.050 -0.782 0.000 0.953 544 N CB 0.637 38.685 38.487 -0.732 0.000 1.251 544 N HN 0.861 nan 8.380 nan 0.000 0.502 545 S N 2.295 117.830 115.700 -0.276 0.000 2.998 545 S HA 0.600 5.077 4.470 0.012 0.000 0.321 545 S C -0.095 174.440 174.600 -0.108 0.000 1.171 545 S CA -0.319 57.776 58.200 -0.175 0.000 0.882 545 S CB 0.039 63.154 63.200 -0.141 0.000 1.301 545 S HN 0.401 nan 8.310 nan 0.000 0.629 546 L N 0.102 121.295 121.223 -0.051 0.000 4.793 546 L HA -0.052 4.295 4.340 0.012 0.000 0.404 546 L C 0.497 177.411 176.870 0.073 0.000 1.022 546 L CA 0.856 55.688 54.840 -0.014 0.000 1.242 546 L CB -1.708 40.252 42.059 -0.164 0.000 2.049 546 L HN 0.742 nan 8.230 nan 0.000 0.637 547 G N -0.799 108.014 108.800 0.022 0.000 2.398 547 G HA2 0.463 4.430 3.960 0.012 0.000 0.246 547 G HA3 0.463 4.430 3.960 0.012 0.000 0.246 547 G C 1.237 176.191 174.900 0.091 0.000 1.289 547 G CA 0.121 45.214 45.100 -0.011 0.000 0.869 547 G HN 1.414 nan 8.290 nan 0.000 0.543 548 G N 1.414 110.256 108.800 0.069 0.000 2.159 548 G HA2 -0.324 3.643 3.960 0.012 0.000 0.256 548 G HA3 -0.324 3.643 3.960 0.012 0.000 0.256 548 G C 1.005 176.096 174.900 0.319 0.000 0.977 548 G CA 0.799 45.995 45.100 0.160 0.000 0.652 548 G HN 0.795 nan 8.290 nan 0.000 0.531 549 F N 1.717 121.795 119.950 0.213 0.000 2.161 549 F HA 0.113 4.648 4.527 0.012 0.000 0.300 549 F C 2.623 178.646 175.800 0.372 0.000 1.089 549 F CA 2.415 60.619 58.000 0.340 0.000 1.282 549 F CB -0.426 38.710 39.000 0.226 0.000 1.010 549 F HN 0.350 nan 8.300 nan 0.000 0.485 550 A N -0.479 122.498 122.820 0.261 0.000 2.067 550 A HA -0.187 4.140 4.320 0.012 0.000 0.219 550 A C 2.280 179.887 177.584 0.038 0.000 1.158 550 A CA 1.447 53.572 52.037 0.146 0.000 0.661 550 A CB -0.757 18.340 19.000 0.163 0.000 0.801 550 A HN 0.429 nan 8.150 nan 0.000 0.452 551 K N -1.500 118.908 120.400 0.013 0.000 2.147 551 K HA -0.174 4.153 4.320 0.012 0.000 0.205 551 K C 1.613 177.996 176.600 -0.361 0.000 1.049 551 K CA 1.550 57.760 56.287 -0.128 0.000 0.936 551 K CB -0.281 32.147 32.500 -0.121 0.000 0.722 551 K HN 0.594 nan 8.250 nan 0.000 0.446 552 Y N -0.869 119.177 120.300 -0.424 0.000 2.163 552 Y HA -0.219 4.338 4.550 0.011 0.000 0.288 552 Y C 1.979 176.981 175.900 -1.497 0.000 1.136 552 Y CA 1.477 58.978 58.100 -0.997 0.000 1.147 552 Y CB -0.298 37.537 38.460 -1.041 0.000 0.987 552 Y HN 0.152 nan 8.280 nan 0.000 0.509 553 W N 0.176 121.063 121.300 -0.689 0.000 2.363 553 W HA -0.216 4.452 4.660 0.013 0.000 0.296 553 W C 2.619 178.973 176.519 -0.275 0.000 1.212 553 W CA 1.555 58.620 57.345 -0.467 0.000 1.260 553 W CB -0.551 28.716 29.460 -0.321 0.000 1.131 553 W HN 0.076 nan 8.180 nan 0.000 0.530 554 Q N 0.846 120.577 119.800 -0.116 0.000 2.084 554 Q HA -0.185 4.162 4.340 0.012 0.000 0.202 554 Q C 2.189 178.139 176.000 -0.082 0.000 0.978 554 Q CA 2.104 57.873 55.803 -0.057 0.000 0.844 554 Q CB -0.591 28.123 28.738 -0.041 0.000 0.898 554 Q HN 0.275 nan 8.270 nan 0.000 0.426 555 A N 0.121 122.803 122.820 -0.231 0.000 1.873 555 A HA -0.115 4.212 4.320 0.012 0.000 0.215 555 A C 2.056 179.619 177.584 -0.035 0.000 1.186 555 A CA 1.163 53.094 52.037 -0.177 0.000 0.616 555 A CB -1.111 17.660 19.000 -0.382 0.000 0.823 555 A HN 0.483 nan 8.150 nan 0.000 0.442 556 F N -0.381 119.399 119.950 -0.284 0.000 2.161 556 F HA -0.221 4.313 4.527 0.012 0.000 0.300 556 F C 2.760 178.463 175.800 -0.163 0.000 1.089 556 F CA 1.164 58.964 58.000 -0.334 0.000 1.282 556 F CB -0.158 38.416 39.000 -0.710 0.000 1.010 556 F HN 0.163 nan 8.300 nan 0.000 0.485 557 R N -0.035 120.516 120.500 0.085 0.000 2.119 557 R HA -0.142 4.205 4.340 0.012 0.000 0.222 557 R C 2.110 178.443 176.300 0.055 0.000 1.088 557 R CA 0.968 57.103 56.100 0.058 0.000 0.984 557 R CB -0.374 29.956 30.300 0.050 0.000 0.884 557 R HN 0.374 nan 8.270 nan 0.000 0.447 558 Q N -0.219 119.641 119.800 0.100 0.000 2.137 558 Q HA -0.069 4.278 4.340 0.012 0.000 0.198 558 Q C -0.445 175.590 176.000 0.057 0.000 0.960 558 Q CA 1.034 56.890 55.803 0.089 0.000 0.847 558 Q CB 0.349 29.169 28.738 0.137 0.000 0.915 558 Q HN 0.185 nan 8.270 nan 0.000 0.448 559 Y N -0.105 120.176 120.300 -0.031 0.000 2.331 559 Y HA 0.270 4.826 4.550 0.011 0.000 0.338 559 Y C -1.785 174.089 175.900 -0.044 0.000 0.976 559 Y CA -2.806 55.275 58.100 -0.031 0.000 1.137 559 Y CB 1.547 39.994 38.460 -0.022 0.000 1.172 559 Y HN 0.103 nan 8.280 nan 0.000 0.478 560 P HA -0.150 nan 4.420 nan 0.000 0.215 560 P C 1.097 178.398 177.300 0.002 0.000 1.153 560 P CA 1.803 64.904 63.100 0.001 0.000 0.853 560 P CB 0.315 32.002 31.700 -0.022 0.000 0.788 561 R N -1.130 119.391 120.500 0.034 0.000 2.280 561 R HA 0.076 4.423 4.340 0.012 0.000 0.207 561 R C 0.554 176.832 176.300 -0.035 0.000 1.043 561 R CA 0.176 56.277 56.100 0.002 0.000 1.006 561 R CB -0.531 29.780 30.300 0.019 0.000 0.885 561 R HN 0.243 nan 8.270 nan 0.000 0.467 562 L N 2.120 123.341 121.223 -0.004 0.000 2.334 562 L HA 0.091 4.438 4.340 0.012 0.000 0.286 562 L C 0.552 177.274 176.870 -0.248 0.000 1.108 562 L CA 0.222 55.009 54.840 -0.089 0.000 0.875 562 L CB 0.936 43.015 42.059 0.034 0.000 1.246 562 L HN 0.104 nan 8.230 nan 0.000 0.439 563 Q N 2.894 122.475 119.800 -0.365 0.000 2.211 563 Q HA 0.300 4.647 4.340 0.012 0.000 0.231 563 Q C 0.821 176.395 176.000 -0.709 0.000 0.865 563 Q CA 0.087 55.634 55.803 -0.427 0.000 0.997 563 Q CB 0.946 29.528 28.738 -0.259 0.000 1.101 563 Q HN 0.947 nan 8.270 nan 0.000 0.468 564 G N -0.376 107.606 108.800 -1.364 0.000 2.416 564 G HA2 0.097 4.064 3.960 0.012 0.000 0.203 564 G HA3 0.097 4.064 3.960 0.012 0.000 0.203 564 G C -0.315 173.715 174.900 -1.450 0.000 1.227 564 G CA -0.759 43.180 45.100 -1.935 0.000 1.041 564 G HN 0.573 nan 8.290 nan 0.000 0.546 565 G N -2.232 106.018 108.800 -0.917 0.000 2.349 565 G HA2 0.648 4.615 3.960 0.012 0.000 0.294 565 G HA3 0.648 4.615 3.960 0.012 0.000 0.294 565 G C -1.825 173.001 174.900 -0.124 0.000 1.380 565 G CA -0.326 44.469 45.100 -0.509 0.000 0.811 565 G HN 1.134 nan 8.290 nan 0.000 0.519 566 F N 0.739 120.942 119.950 0.422 0.000 2.403 566 F HA 0.512 5.045 4.527 0.011 0.000 0.355 566 F C 0.774 176.870 175.800 0.494 0.000 1.119 566 F CA -0.752 57.518 58.000 0.450 0.000 1.007 566 F CB 2.061 41.221 39.000 0.266 0.000 1.194 566 F HN 0.255 nan 8.300 nan 0.000 0.443 567 V N 3.233 123.460 119.914 0.523 0.000 2.872 567 V HA -0.124 4.003 4.120 0.012 0.000 0.307 567 V C -0.261 175.995 176.094 0.270 0.000 1.072 567 V CA -0.269 62.134 62.300 0.171 0.000 1.148 567 V CB 0.830 32.752 31.823 0.164 0.000 0.954 567 V HN 0.766 nan 8.190 nan 0.000 0.490 568 W N 6.209 127.593 121.300 0.140 0.000 2.296 568 W HA 0.468 5.135 4.660 0.011 0.000 0.316 568 W C -0.952 175.594 176.519 0.046 0.000 1.022 568 W CA -0.659 56.809 57.345 0.204 0.000 1.324 568 W CB 1.375 31.130 29.460 0.491 0.000 1.227 568 W HN 0.917 nan 8.180 nan 0.000 0.409 569 D N 2.765 122.846 120.400 -0.532 0.000 2.812 569 D HA 0.094 4.741 4.640 0.012 0.000 0.318 569 D C 0.659 176.738 176.300 -0.367 0.000 1.234 569 D CA -0.558 53.022 54.000 -0.700 0.000 0.989 569 D CB 0.225 40.036 40.800 -1.647 0.000 1.442 569 D HN 0.418 nan 8.370 nan 0.000 0.537 570 W N 0.472 121.470 121.300 -0.504 0.000 2.380 570 W HA 0.104 4.771 4.660 0.012 0.000 0.317 570 W C -0.096 176.199 176.519 -0.373 0.000 1.196 570 W CA 1.152 58.250 57.345 -0.411 0.000 1.307 570 W CB 0.282 29.527 29.460 -0.360 0.000 1.157 570 W HN 0.147 nan 8.180 nan 0.000 0.483 571 V N 2.851 122.530 119.914 -0.390 0.000 2.588 571 V HA 0.232 4.359 4.120 0.012 0.000 0.304 571 V C -0.859 175.034 176.094 -0.336 0.000 1.042 571 V CA -0.774 61.251 62.300 -0.459 0.000 0.877 571 V CB 1.394 33.053 31.823 -0.273 0.000 0.996 571 V HN -0.091 nan 8.190 nan 0.000 0.425 572 D N 4.185 124.376 120.400 -0.348 0.000 2.488 572 D HA 0.093 4.740 4.640 0.012 0.000 0.238 572 D C 0.350 176.487 176.300 -0.272 0.000 1.138 572 D CA 0.657 54.509 54.000 -0.246 0.000 0.873 572 D CB 0.881 41.616 40.800 -0.109 0.000 1.183 572 D HN 0.617 nan 8.370 nan 0.000 0.458 573 Q N 1.158 120.738 119.800 -0.367 0.000 3.122 573 Q HA 0.130 4.477 4.340 0.012 0.000 0.360 573 Q C -0.141 175.793 176.000 -0.110 0.000 1.300 573 Q CA -0.327 55.042 55.803 -0.723 0.000 0.982 573 Q CB 0.051 28.486 28.738 -0.505 0.000 1.534 573 Q HN 0.365 nan 8.270 nan 0.000 0.474 574 S N -0.265 115.483 115.700 0.080 0.000 2.616 574 S HA 0.617 5.094 4.470 0.012 0.000 0.277 574 S C -0.094 174.681 174.600 0.292 0.000 1.234 574 S CA -0.788 57.579 58.200 0.278 0.000 1.028 574 S CB 1.467 64.815 63.200 0.248 0.000 0.988 574 S HN 0.328 nan 8.310 nan 0.000 0.522 575 L N 1.661 122.978 121.223 0.157 0.000 2.342 575 L HA 0.517 4.864 4.340 0.012 0.000 0.271 575 L C -0.416 176.371 176.870 -0.138 0.000 1.008 575 L CA -1.166 53.645 54.840 -0.048 0.000 0.818 575 L CB 1.410 43.331 42.059 -0.230 0.000 1.296 575 L HN 0.554 nan 8.230 nan 0.000 0.427 576 I N 2.556 122.991 120.570 -0.224 0.000 2.416 576 I HA 0.247 4.424 4.170 0.012 0.000 0.288 576 I C 0.111 175.875 176.117 -0.588 0.000 1.051 576 I CA -0.059 60.981 61.300 -0.435 0.000 1.375 576 I CB 0.973 38.718 38.000 -0.425 0.000 1.407 576 I HN 0.573 nan 8.210 nan 0.000 0.516 577 K N 5.708 125.481 120.400 -1.046 0.000 2.340 577 K HA 0.577 4.904 4.320 0.012 0.000 0.244 577 K C -1.524 174.291 176.600 -1.309 0.000 0.973 577 K CA -0.692 54.875 56.287 -1.200 0.000 0.828 577 K CB 2.325 33.837 32.500 -1.647 0.000 1.226 577 K HN 0.261 nan 8.250 nan 0.000 0.437 578 Y N 0.900 120.952 120.300 -0.412 0.000 2.376 578 Y HA 0.125 4.682 4.550 0.012 0.000 0.340 578 Y C 0.041 176.019 175.900 0.129 0.000 0.965 578 Y CA -1.098 56.941 58.100 -0.101 0.000 1.078 578 Y CB 1.407 39.821 38.460 -0.077 0.000 1.193 578 Y HN 0.688 nan 8.280 nan 0.000 0.452 579 D N 0.422 121.066 120.400 0.407 0.000 2.411 579 D HA 0.021 4.668 4.640 0.012 0.000 0.251 579 D C 1.088 177.492 176.300 0.175 0.000 1.201 579 D CA -0.289 53.889 54.000 0.297 0.000 0.996 579 D CB 0.803 41.720 40.800 0.196 0.000 1.101 579 D HN 0.432 nan 8.370 nan 0.000 0.504 580 E N -0.045 120.219 120.200 0.107 0.000 2.136 580 E HA -0.236 4.121 4.350 0.012 0.000 0.202 580 E C 1.267 177.905 176.600 0.062 0.000 1.019 580 E CA 1.251 57.692 56.400 0.068 0.000 0.819 580 E CB -0.413 29.310 29.700 0.038 0.000 0.739 580 E HN 0.484 nan 8.360 nan 0.000 0.458 581 N N -0.462 118.279 118.700 0.070 0.000 2.520 581 N HA -0.072 4.675 4.740 0.012 0.000 0.185 581 N C 1.136 176.689 175.510 0.072 0.000 1.068 581 N CA 1.198 54.284 53.050 0.060 0.000 0.911 581 N CB 0.059 38.579 38.487 0.054 0.000 0.961 581 N HN 0.321 nan 8.380 nan 0.000 0.446 582 G N 0.481 109.348 108.800 0.112 0.000 2.132 582 G HA2 -0.230 3.737 3.960 0.012 0.000 0.234 582 G HA3 -0.230 3.737 3.960 0.012 0.000 0.234 582 G C -0.345 174.702 174.900 0.246 0.000 0.989 582 G CA -0.441 44.738 45.100 0.130 0.000 0.676 582 G HN 0.265 nan 8.290 nan 0.000 0.522 583 N N 1.819 120.660 118.700 0.235 0.000 2.455 583 N HA 0.431 5.178 4.740 0.012 0.000 0.280 583 N C -2.401 173.229 175.510 0.199 0.000 1.055 583 N CA -1.105 52.072 53.050 0.211 0.000 0.961 583 N CB 1.920 40.492 38.487 0.142 0.000 1.121 583 N HN 0.180 nan 8.380 nan 0.000 0.476 584 P HA 0.196 nan 4.420 nan 0.000 0.275 584 P C -0.506 176.709 177.300 -0.141 0.000 1.228 584 P CA -0.192 62.698 63.100 -0.350 0.000 0.786 584 P CB 0.638 32.139 31.700 -0.332 0.000 0.927 585 W N -0.561 120.472 121.300 -0.445 0.000 3.217 585 W HA 0.377 5.044 4.660 0.012 0.000 0.323 585 W C -1.483 174.843 176.519 -0.322 0.000 1.216 585 W CA -1.030 56.069 57.345 -0.411 0.000 1.194 585 W CB 0.348 29.317 29.460 -0.819 0.000 1.397 585 W HN 0.117 nan 8.180 nan 0.000 0.537 586 S N 1.909 117.683 115.700 0.124 0.000 2.455 586 S HA 0.519 4.996 4.470 0.012 0.000 0.278 586 S C 0.283 175.060 174.600 0.295 0.000 1.216 586 S CA -0.132 58.144 58.200 0.126 0.000 1.055 586 S CB 0.675 63.995 63.200 0.201 0.000 0.939 586 S HN 0.594 nan 8.310 nan 0.000 0.494 587 A N 3.154 126.002 122.820 0.047 0.000 2.311 587 A HA 0.881 5.208 4.320 0.012 0.000 0.334 587 A C -0.597 177.241 177.584 0.424 0.000 1.139 587 A CA -0.740 51.361 52.037 0.107 0.000 0.830 587 A CB 0.649 19.387 19.000 -0.437 0.000 1.234 587 A HN 0.844 nan 8.150 nan 0.000 0.483 588 Y N -0.942 119.664 120.300 0.510 0.000 2.965 588 Y HA 0.764 5.321 4.550 0.012 0.000 0.310 588 Y C 0.617 176.881 175.900 0.606 0.000 1.480 588 Y CA -1.320 57.083 58.100 0.505 0.000 1.094 588 Y CB -0.020 38.565 38.460 0.208 0.000 1.377 588 Y HN 0.911 nan 8.280 nan 0.000 0.514 589 G N -0.135 109.049 108.800 0.640 0.000 2.265 589 G HA2 0.373 4.340 3.960 0.012 0.000 0.240 589 G HA3 0.373 4.340 3.960 0.012 0.000 0.240 589 G C 0.950 176.164 174.900 0.524 0.000 1.270 589 G CA 0.417 45.823 45.100 0.511 0.000 0.901 589 G HN 1.986 nan 8.290 nan 0.000 0.507 590 G N 2.209 111.288 108.800 0.464 0.000 2.253 590 G HA2 -0.290 3.677 3.960 0.012 0.000 0.251 590 G HA3 -0.290 3.677 3.960 0.012 0.000 0.251 590 G C 0.941 176.024 174.900 0.305 0.000 0.998 590 G CA 0.684 45.992 45.100 0.346 0.000 0.621 590 G HN 0.641 nan 8.290 nan 0.000 0.524 591 D N -0.139 120.452 120.400 0.318 0.000 2.384 591 D HA 0.073 4.720 4.640 0.012 0.000 0.222 591 D C 1.261 177.391 176.300 -0.283 0.000 0.976 591 D CA 0.677 54.689 54.000 0.021 0.000 0.915 591 D CB -0.202 40.550 40.800 -0.080 0.000 0.896 591 D HN 0.500 nan 8.370 nan 0.000 0.523 592 F N -1.002 119.073 119.950 0.210 0.000 2.698 592 F HA 0.328 4.862 4.527 0.012 0.000 0.304 592 F C 1.754 177.640 175.800 0.143 0.000 1.108 592 F CA -0.204 57.877 58.000 0.135 0.000 1.263 592 F CB 0.858 39.926 39.000 0.112 0.000 1.013 592 F HN -0.053 nan 8.300 nan 0.000 0.532 593 G N 0.253 109.205 108.800 0.252 0.000 2.176 593 G HA2 -0.276 3.691 3.960 0.012 0.000 0.253 593 G HA3 -0.276 3.691 3.960 0.012 0.000 0.253 593 G C -0.107 174.926 174.900 0.221 0.000 0.979 593 G CA 0.112 45.332 45.100 0.200 0.000 0.641 593 G HN 0.427 nan 8.290 nan 0.000 0.530 594 D N 0.687 121.266 120.400 0.299 0.000 2.417 594 D HA 0.474 5.121 4.640 0.012 0.000 0.250 594 D C 0.134 176.556 176.300 0.204 0.000 1.166 594 D CA 1.048 55.216 54.000 0.280 0.000 0.881 594 D CB 1.500 42.535 40.800 0.391 0.000 1.164 594 D HN 0.550 nan 8.370 nan 0.000 0.467 595 T N 1.084 115.727 114.554 0.149 0.000 3.047 595 T HA 0.410 4.767 4.350 0.012 0.000 0.340 595 T C -2.842 171.898 174.700 0.067 0.000 1.421 595 T CA -1.155 61.005 62.100 0.100 0.000 1.090 595 T CB 1.136 70.065 68.868 0.101 0.000 1.292 595 T HN 0.206 nan 8.240 nan 0.000 0.480 596 P HA 0.495 nan 4.420 nan 0.000 0.271 596 P C -0.877 176.417 177.300 -0.010 0.000 1.233 596 P CA -0.246 62.856 63.100 0.003 0.000 0.789 596 P CB 0.317 31.992 31.700 -0.040 0.000 0.951 597 N N -1.759 116.932 118.700 -0.015 0.000 2.732 597 N HA 0.284 5.030 4.740 0.012 0.000 0.259 597 N C -1.135 174.335 175.510 -0.066 0.000 1.402 597 N CA -0.752 52.271 53.050 -0.046 0.000 0.829 597 N CB 0.773 39.321 38.487 0.102 0.000 1.495 597 N HN 0.067 nan 8.380 nan 0.000 0.511 598 D N -0.309 120.016 120.400 -0.125 0.000 2.559 598 D HA 0.131 4.778 4.640 0.012 0.000 0.234 598 D C 0.481 177.009 176.300 0.380 0.000 1.226 598 D CA -0.118 53.894 54.000 0.019 0.000 0.830 598 D CB 0.116 40.765 40.800 -0.251 0.000 1.028 598 D HN 0.717 nan 8.370 nan 0.000 0.492 599 R N 0.841 121.553 120.500 0.353 0.000 3.682 599 R HA -0.323 4.024 4.340 0.012 0.000 0.519 599 R C 1.106 177.461 176.300 0.091 0.000 0.241 599 R CA 1.548 57.851 56.100 0.338 0.000 1.619 599 R CB -1.611 28.808 30.300 0.199 0.000 0.923 599 R HN 0.147 nan 8.270 nan 0.000 0.598 600 Q N 1.462 121.003 119.800 -0.432 0.000 2.482 600 Q HA -0.005 4.342 4.340 0.012 0.000 0.209 600 Q C 1.631 177.332 176.000 -0.498 0.000 0.961 600 Q CA 1.309 56.639 55.803 -0.790 0.000 0.945 600 Q CB 0.006 28.037 28.738 -1.179 0.000 1.012 600 Q HN 0.609 nan 8.270 nan 0.000 0.515 601 F N 1.561 121.419 119.950 -0.153 0.000 2.494 601 F HA -0.133 4.401 4.527 0.012 0.000 0.298 601 F C 2.221 177.930 175.800 -0.152 0.000 1.106 601 F CA 1.098 59.085 58.000 -0.021 0.000 1.452 601 F CB -0.145 38.932 39.000 0.128 0.000 1.085 601 F HN 0.414 nan 8.300 nan 0.000 0.569 602 C N -1.453 117.521 119.300 -0.544 0.000 2.562 602 C HA 0.207 4.674 4.460 0.012 0.000 0.266 602 C C 1.043 175.831 174.990 -0.337 0.000 1.382 602 C CA -0.484 58.086 59.018 -0.747 0.000 1.742 602 C CB -1.612 25.250 27.740 -1.463 0.000 1.812 602 C HN 0.184 nan 8.230 nan 0.000 0.559 603 M N 2.740 122.184 119.600 -0.259 0.000 2.103 603 M HA 0.275 4.762 4.480 0.012 0.000 0.350 603 M C -0.475 175.710 176.300 -0.192 0.000 1.100 603 M CA 0.314 55.500 55.300 -0.190 0.000 1.042 603 M CB 0.101 32.624 32.600 -0.128 0.000 1.368 603 M HN 0.364 nan 8.290 nan 0.000 0.404 604 N N 0.786 119.368 118.700 -0.197 0.000 2.240 604 N HA 0.202 4.949 4.740 0.012 0.000 0.240 604 N C 0.372 175.678 175.510 -0.341 0.000 1.277 604 N CA -0.509 52.389 53.050 -0.254 0.000 0.873 604 N CB 1.139 39.536 38.487 -0.150 0.000 1.222 604 N HN 0.644 nan 8.380 nan 0.000 0.507 605 G N -0.014 108.554 108.800 -0.387 0.000 2.507 605 G HA2 0.322 4.289 3.960 0.012 0.000 0.271 605 G HA3 0.322 4.289 3.960 0.012 0.000 0.271 605 G C 0.704 175.198 174.900 -0.677 0.000 1.189 605 G CA -0.546 44.227 45.100 -0.544 0.000 0.859 605 G HN 0.131 nan 8.290 nan 0.000 0.542 606 L N 0.096 120.907 121.223 -0.686 0.000 2.313 606 L HA 0.105 4.452 4.340 0.012 0.000 0.214 606 L C 0.930 177.217 176.870 -0.972 0.000 1.119 606 L CA 0.402 54.852 54.840 -0.651 0.000 0.809 606 L CB -0.323 41.461 42.059 -0.457 0.000 0.933 606 L HN 0.407 nan 8.230 nan 0.000 0.449 607 V N -5.129 114.067 119.914 -1.196 0.000 3.001 607 V HA 0.466 4.593 4.120 0.012 0.000 0.314 607 V C -0.255 175.233 176.094 -1.009 0.000 1.099 607 V CA -1.277 60.389 62.300 -1.056 0.000 0.989 607 V CB 1.627 32.934 31.823 -0.861 0.000 1.040 607 V HN -0.146 nan 8.190 nan 0.000 0.434 608 F N 1.487 121.169 119.950 -0.448 0.000 2.440 608 F HA 0.540 5.074 4.527 0.012 0.000 0.323 608 F C 1.951 177.645 175.800 -0.176 0.000 1.192 608 F CA 0.618 58.536 58.000 -0.136 0.000 1.252 608 F CB 0.964 39.971 39.000 0.011 0.000 1.214 608 F HN 0.787 nan 8.300 nan 0.000 0.578 609 A N 0.814 123.705 122.820 0.119 0.000 2.032 609 A HA -0.231 4.096 4.320 0.012 0.000 0.221 609 A C 1.609 179.173 177.584 -0.034 0.000 1.165 609 A CA 1.933 54.000 52.037 0.050 0.000 0.645 609 A CB -0.938 18.135 19.000 0.122 0.000 0.807 609 A HN 0.787 nan 8.150 nan 0.000 0.453 610 D N -3.011 117.384 120.400 -0.009 0.000 2.325 610 D HA 0.157 4.804 4.640 0.012 0.000 0.225 610 D C 0.648 176.935 176.300 -0.022 0.000 1.096 610 D CA -0.057 53.911 54.000 -0.053 0.000 0.844 610 D CB -0.077 40.694 40.800 -0.049 0.000 0.925 610 D HN 0.205 nan 8.370 nan 0.000 0.513 611 R N -1.809 118.674 120.500 -0.027 0.000 3.804 611 R HA -0.116 4.231 4.340 0.012 0.000 0.459 611 R C -0.321 175.969 176.300 -0.016 0.000 1.009 611 R CA 1.090 57.162 56.100 -0.047 0.000 1.210 611 R CB -3.155 27.157 30.300 0.020 0.000 1.860 611 R HN 0.239 nan 8.270 nan 0.000 0.526 612 T N 2.432 117.025 114.554 0.064 0.000 2.901 612 T HA 0.358 4.715 4.350 0.012 0.000 0.301 612 T C -2.306 172.496 174.700 0.172 0.000 1.012 612 T CA -0.787 61.387 62.100 0.124 0.000 1.135 612 T CB 1.097 70.065 68.868 0.166 0.000 0.936 612 T HN -0.101 nan 8.240 nan 0.000 0.539 613 P HA 0.210 nan 4.420 nan 0.000 0.274 613 P C -0.123 177.257 177.300 0.133 0.000 1.231 613 P CA -0.314 62.783 63.100 -0.004 0.000 0.790 613 P CB 0.481 32.181 31.700 -0.000 0.000 0.951 614 H N 2.279 121.190 119.070 -0.264 0.000 2.508 614 H HA 0.132 4.695 4.556 0.012 0.000 0.358 614 H C -1.304 173.930 175.328 -0.157 0.000 1.212 614 H CA -1.951 53.913 56.048 -0.307 0.000 1.356 614 H CB 0.511 30.025 29.762 -0.413 0.000 1.525 614 H HN 0.329 nan 8.280 nan 0.000 0.578 615 P HA -0.148 nan 4.420 nan 0.000 0.218 615 P C 1.110 178.411 177.300 0.001 0.000 1.148 615 P CA 1.393 64.482 63.100 -0.017 0.000 0.822 615 P CB 0.031 31.715 31.700 -0.026 0.000 0.784 616 A N -0.624 122.198 122.820 0.003 0.000 2.076 616 A HA -0.174 4.153 4.320 0.012 0.000 0.220 616 A C 2.050 179.590 177.584 -0.074 0.000 1.160 616 A CA 1.115 53.121 52.037 -0.052 0.000 0.653 616 A CB -1.572 17.370 19.000 -0.098 0.000 0.801 616 A HN 0.155 nan 8.150 nan 0.000 0.455 617 L N -0.529 120.669 121.223 -0.043 0.000 2.042 617 L HA -0.135 4.212 4.340 0.012 0.000 0.210 617 L C 2.537 179.456 176.870 0.081 0.000 1.076 617 L CA 2.762 57.609 54.840 0.011 0.000 0.749 617 L CB -1.032 41.022 42.059 -0.008 0.000 0.893 617 L HN 0.382 nan 8.230 nan 0.000 0.432 618 T N -1.726 112.884 114.554 0.094 0.000 2.867 618 T HA -0.200 4.157 4.350 0.012 0.000 0.268 618 T C 1.811 176.638 174.700 0.212 0.000 1.057 618 T CA 1.447 63.667 62.100 0.199 0.000 1.136 618 T CB -0.144 68.816 68.868 0.152 0.000 0.874 618 T HN 0.474 nan 8.240 nan 0.000 0.466 619 E N 0.767 121.028 120.200 0.101 0.000 2.077 619 E HA 0.059 4.416 4.350 0.012 0.000 0.193 619 E C 2.171 178.800 176.600 0.047 0.000 0.989 619 E CA 1.401 57.862 56.400 0.101 0.000 0.800 619 E CB -0.621 29.107 29.700 0.046 0.000 0.746 619 E HN 0.545 nan 8.360 nan 0.000 0.452 620 A N 0.820 123.562 122.820 -0.130 0.000 1.898 620 A HA -0.177 4.150 4.320 0.012 0.000 0.216 620 A C 2.144 179.631 177.584 -0.162 0.000 1.181 620 A CA 1.746 53.668 52.037 -0.191 0.000 0.620 620 A CB -0.567 18.278 19.000 -0.259 0.000 0.819 620 A HN 0.246 nan 8.150 nan 0.000 0.442 621 K N -1.069 119.307 120.400 -0.040 0.000 2.032 621 K HA -0.294 4.033 4.320 0.012 0.000 0.209 621 K C 2.038 178.526 176.600 -0.187 0.000 1.048 621 K CA 2.061 58.328 56.287 -0.034 0.000 0.927 621 K CB -0.350 32.288 32.500 0.230 0.000 0.712 621 K HN 0.652 nan 8.250 nan 0.000 0.441 622 H N 0.247 119.136 119.070 -0.303 0.000 2.326 622 H HA -0.026 4.538 4.556 0.012 0.000 0.301 622 H C 1.954 177.005 175.328 -0.463 0.000 1.081 622 H CA 1.781 57.455 56.048 -0.624 0.000 1.334 622 H CB 0.109 29.527 29.762 -0.574 0.000 1.385 622 H HN 0.227 nan 8.280 nan 0.000 0.504 623 Q N 0.232 119.785 119.800 -0.412 0.000 2.291 623 Q HA -0.085 4.262 4.340 0.012 0.000 0.205 623 Q C 1.510 176.968 176.000 -0.905 0.000 0.970 623 Q CA 1.121 56.597 55.803 -0.546 0.000 0.876 623 Q CB 0.061 28.612 28.738 -0.312 0.000 0.935 623 Q HN 0.709 nan 8.270 nan 0.000 0.455 624 Q N 0.118 119.343 119.800 -0.958 0.000 2.322 624 Q HA 0.072 4.419 4.340 0.012 0.000 0.203 624 Q C -0.091 175.358 176.000 -0.918 0.000 0.923 624 Q CA -0.201 54.894 55.803 -1.180 0.000 0.949 624 Q CB 0.328 28.417 28.738 -1.082 0.000 1.039 624 Q HN 0.378 nan 8.270 nan 0.000 0.496 625 Q N -0.487 118.915 119.800 -0.664 0.000 2.428 625 Q HA -0.037 4.310 4.340 0.012 0.000 0.276 625 Q C -0.120 175.523 176.000 -0.596 0.000 1.059 625 Q CA 0.424 55.967 55.803 -0.433 0.000 0.923 625 Q CB 0.455 29.010 28.738 -0.306 0.000 1.283 625 Q HN 0.309 nan 8.270 nan 0.000 0.447 626 F N 0.258 119.998 119.950 -0.349 0.000 2.727 626 F HA 0.235 4.768 4.527 0.011 0.000 0.302 626 F C -0.192 175.069 175.800 -0.899 0.000 1.097 626 F CA 0.012 57.573 58.000 -0.733 0.000 1.330 626 F CB 0.586 38.895 39.000 -1.152 0.000 1.084 626 F HN 0.307 nan 8.300 nan 0.000 0.578 627 F N 0.260 120.122 119.950 -0.147 0.000 2.556 627 F HA 0.457 4.991 4.527 0.012 0.000 0.314 627 F C -0.207 175.235 175.800 -0.597 0.000 1.106 627 F CA -1.081 56.730 58.000 -0.316 0.000 0.911 627 F CB 1.418 40.255 39.000 -0.271 0.000 1.190 627 F HN -0.330 nan 8.300 nan 0.000 0.448 628 Q N 3.040 122.574 119.800 -0.443 0.000 2.306 628 Q HA 0.594 4.941 4.340 0.012 0.000 0.265 628 Q C -1.418 174.289 176.000 -0.489 0.000 1.022 628 Q CA -0.667 54.907 55.803 -0.383 0.000 0.853 628 Q CB 2.986 31.638 28.738 -0.144 0.000 1.327 628 Q HN 0.555 nan 8.270 nan 0.000 0.449 629 F N 0.206 120.284 119.950 0.215 0.000 2.565 629 F HA 0.565 5.100 4.527 0.012 0.000 0.313 629 F C 0.275 176.320 175.800 0.408 0.000 1.091 629 F CA -0.882 57.320 58.000 0.337 0.000 0.915 629 F CB 2.023 41.353 39.000 0.549 0.000 1.208 629 F HN 0.116 nan 8.300 nan 0.000 0.453 630 R N 1.894 122.695 120.500 0.502 0.000 2.686 630 R HA 0.693 5.040 4.340 0.012 0.000 0.283 630 R C -1.920 174.418 176.300 0.063 0.000 0.978 630 R CA -1.235 55.067 56.100 0.337 0.000 0.897 630 R CB 3.009 33.417 30.300 0.180 0.000 1.192 630 R HN 0.565 nan 8.270 nan 0.000 0.457 631 L N 0.805 121.950 121.223 -0.130 0.000 2.333 631 L HA 0.484 4.831 4.340 0.012 0.000 0.280 631 L C -0.898 175.817 176.870 -0.257 0.000 1.004 631 L CA 0.055 54.585 54.840 -0.516 0.000 0.820 631 L CB 2.055 43.342 42.059 -1.286 0.000 1.247 631 L HN 0.536 nan 8.230 nan 0.000 0.416 632 S N 3.681 119.254 115.700 -0.212 0.000 2.779 632 S HA 0.721 5.198 4.470 0.012 0.000 0.293 632 S C 0.274 174.787 174.600 -0.145 0.000 1.150 632 S CA 0.227 58.346 58.200 -0.133 0.000 1.057 632 S CB 0.433 63.589 63.200 -0.074 0.000 1.021 632 S HN 1.452 nan 8.310 nan 0.000 0.485 633 G N 4.241 112.959 108.800 -0.137 0.000 2.561 633 G HA2 -0.286 3.681 3.960 0.012 0.000 0.289 633 G HA3 -0.286 3.681 3.960 0.012 0.000 0.289 633 G C 0.222 175.017 174.900 -0.176 0.000 1.169 633 G CA 0.701 45.724 45.100 -0.129 0.000 0.980 633 G HN 0.997 nan 8.290 nan 0.000 0.550 634 Q N 0.803 120.499 119.800 -0.173 0.000 2.157 634 Q HA 0.367 4.714 4.340 0.012 0.000 0.229 634 Q C 0.249 176.107 176.000 -0.237 0.000 0.827 634 Q CA 0.709 56.378 55.803 -0.223 0.000 1.055 634 Q CB -0.436 28.173 28.738 -0.214 0.000 1.157 634 Q HN 0.518 nan 8.270 nan 0.000 0.482 635 T N 2.211 116.644 114.554 -0.202 0.000 2.749 635 T HA 0.595 4.952 4.350 0.012 0.000 0.287 635 T C -0.071 174.512 174.700 -0.196 0.000 0.970 635 T CA -0.297 61.702 62.100 -0.169 0.000 0.980 635 T CB 0.615 69.415 68.868 -0.114 0.000 0.924 635 T HN 0.224 nan 8.240 nan 0.000 0.456 636 I N 2.950 123.415 120.570 -0.176 0.000 2.336 636 I HA 0.329 4.506 4.170 0.012 0.000 0.292 636 I C 0.539 176.657 176.117 0.002 0.000 0.991 636 I CA -0.592 60.626 61.300 -0.136 0.000 1.227 636 I CB 1.339 39.264 38.000 -0.126 0.000 1.366 636 I HN 0.525 nan 8.210 nan 0.000 0.466 637 E N 6.364 126.600 120.200 0.060 0.000 2.133 637 E HA 0.442 4.799 4.350 0.012 0.000 0.274 637 E C -1.515 175.194 176.600 0.181 0.000 0.930 637 E CA -0.600 55.856 56.400 0.094 0.000 0.770 637 E CB 1.594 31.335 29.700 0.068 0.000 1.104 637 E HN 0.359 nan 8.360 nan 0.000 0.403 638 V N 4.211 124.219 119.914 0.155 0.000 2.398 638 V HA 0.311 4.438 4.120 0.012 0.000 0.286 638 V C -0.042 176.084 176.094 0.054 0.000 1.026 638 V CA -0.510 61.858 62.300 0.113 0.000 0.868 638 V CB 1.734 33.658 31.823 0.168 0.000 0.982 638 V HN 0.707 nan 8.190 nan 0.000 0.443 639 T N 3.354 117.896 114.554 -0.020 0.000 2.807 639 T HA 0.344 4.701 4.350 0.012 0.000 0.279 639 T C -0.047 174.653 174.700 0.000 0.000 0.993 639 T CA -0.254 61.845 62.100 -0.002 0.000 0.970 639 T CB 1.562 70.409 68.868 -0.035 0.000 0.950 639 T HN 0.680 nan 8.240 nan 0.000 0.441 640 S N 1.770 117.479 115.700 0.014 0.000 2.537 640 S HA 0.226 4.703 4.470 0.012 0.000 0.275 640 S C 0.741 175.217 174.600 -0.207 0.000 1.272 640 S CA -0.516 57.616 58.200 -0.113 0.000 1.050 640 S CB 0.615 63.812 63.200 -0.004 0.000 0.961 640 S HN 0.733 nan 8.310 nan 0.000 0.496 641 E N 2.742 122.719 120.200 -0.371 0.000 2.501 641 E HA 0.110 4.467 4.350 0.012 0.000 0.201 641 E C -0.773 175.639 176.600 -0.314 0.000 1.016 641 E CA -0.134 56.081 56.400 -0.309 0.000 0.920 641 E CB 0.312 29.811 29.700 -0.335 0.000 1.023 641 E HN 0.697 nan 8.360 nan 0.000 0.474 642 Y N 0.521 120.689 120.300 -0.220 0.000 2.480 642 Y HA -0.020 4.537 4.550 0.011 0.000 0.338 642 Y C 1.430 177.162 175.900 -0.280 0.000 1.220 642 Y CA 0.166 58.143 58.100 -0.206 0.000 1.430 642 Y CB 0.727 39.048 38.460 -0.232 0.000 1.311 642 Y HN -0.016 nan 8.280 nan 0.000 0.575 643 L N 1.465 122.513 121.223 -0.291 0.000 2.463 643 L HA 0.058 4.405 4.340 0.012 0.000 0.219 643 L C 0.615 177.020 176.870 -0.775 0.000 1.088 643 L CA 0.622 55.045 54.840 -0.695 0.000 0.849 643 L CB 0.015 41.266 42.059 -1.348 0.000 1.012 643 L HN 0.653 nan 8.230 nan 0.000 0.468 644 F N -0.544 119.428 119.950 0.036 0.000 2.699 644 F HA 0.210 4.744 4.527 0.011 0.000 0.295 644 F C 1.279 177.067 175.800 -0.020 0.000 1.052 644 F CA -0.766 57.228 58.000 -0.011 0.000 1.239 644 F CB 0.338 39.312 39.000 -0.044 0.000 1.018 644 F HN -0.140 nan 8.300 nan 0.000 0.627 645 R N 0.160 120.709 120.500 0.082 0.000 2.643 645 R HA 0.477 4.824 4.340 0.012 0.000 0.272 645 R C -1.073 175.215 176.300 -0.021 0.000 0.995 645 R CA -0.645 55.451 56.100 -0.005 0.000 1.032 645 R CB 0.953 31.160 30.300 -0.155 0.000 1.126 645 R HN 0.082 nan 8.270 nan 0.000 0.505 646 H N 0.054 119.107 119.070 -0.028 0.000 2.509 646 H HA 0.112 4.675 4.556 0.012 0.000 0.359 646 H C 0.022 175.357 175.328 0.012 0.000 1.253 646 H CA 0.181 56.239 56.048 0.018 0.000 1.373 646 H CB 1.200 30.979 29.762 0.029 0.000 1.555 646 H HN 0.753 nan 8.280 nan 0.000 0.586 647 S N 1.421 117.201 115.700 0.134 0.000 4.183 647 S HA -0.014 4.463 4.470 0.012 0.000 0.195 647 S C 0.018 174.753 174.600 0.225 0.000 1.421 647 S CA -0.268 58.071 58.200 0.231 0.000 0.920 647 S CB -0.712 62.666 63.200 0.297 0.000 1.525 647 S HN 0.697 nan 8.310 nan 0.000 0.447 648 D N 0.574 121.072 120.400 0.164 0.000 2.319 648 D HA 0.040 4.687 4.640 0.012 0.000 0.230 648 D C 0.351 176.694 176.300 0.072 0.000 1.094 648 D CA -0.136 53.931 54.000 0.110 0.000 0.856 648 D CB -0.290 40.552 40.800 0.071 0.000 0.915 648 D HN 0.480 nan 8.370 nan 0.000 0.517 649 N N 0.034 118.785 118.700 0.084 0.000 2.636 649 N HA 0.165 4.912 4.740 0.012 0.000 0.287 649 N C -1.620 173.948 175.510 0.097 0.000 1.817 649 N CA -0.222 52.869 53.050 0.069 0.000 0.842 649 N CB 0.301 38.815 38.487 0.046 0.000 1.353 649 N HN -0.038 nan 8.380 nan 0.000 0.500 650 E N -0.047 120.206 120.200 0.089 0.000 2.335 650 E HA 0.493 4.849 4.350 0.012 0.000 0.280 650 E C -1.421 175.210 176.600 0.053 0.000 0.918 650 E CA -0.701 55.744 56.400 0.074 0.000 0.765 650 E CB 2.098 31.819 29.700 0.035 0.000 1.218 650 E HN 0.325 nan 8.360 nan 0.000 0.425 651 L N 0.208 121.468 121.223 0.062 0.000 2.354 651 L HA 0.758 5.105 4.340 0.012 0.000 0.264 651 L C -1.520 175.402 176.870 0.088 0.000 1.008 651 L CA -1.148 53.733 54.840 0.069 0.000 0.819 651 L CB 1.210 43.313 42.059 0.074 0.000 1.339 651 L HN 0.474 nan 8.230 nan 0.000 0.420 652 L N 2.727 124.011 121.223 0.101 0.000 2.272 652 L HA 0.492 4.839 4.340 0.012 0.000 0.289 652 L C -0.705 176.262 176.870 0.162 0.000 1.032 652 L CA 0.173 55.102 54.840 0.150 0.000 0.810 652 L CB 0.395 42.554 42.059 0.167 0.000 1.205 652 L HN 0.694 nan 8.230 nan 0.000 0.422 653 H N 6.034 125.184 119.070 0.134 0.000 2.459 653 H HA 0.386 4.949 4.556 0.012 0.000 0.332 653 H C -1.487 173.935 175.328 0.155 0.000 1.094 653 H CA -0.407 55.685 56.048 0.074 0.000 1.224 653 H CB 1.026 30.793 29.762 0.007 0.000 1.449 653 H HN 0.745 nan 8.280 nan 0.000 0.484 654 W N 5.318 126.633 121.300 0.025 0.000 2.936 654 W HA 0.541 5.208 4.660 0.012 0.000 0.338 654 W C -1.836 174.780 176.519 0.162 0.000 1.121 654 W CA -1.376 56.036 57.345 0.112 0.000 1.209 654 W CB 1.266 30.747 29.460 0.036 0.000 1.420 654 W HN 0.569 nan 8.180 nan 0.000 0.516 655 M N 3.571 123.415 119.600 0.407 0.000 2.371 655 M HA 0.589 5.076 4.480 0.012 0.000 0.287 655 M C -2.481 174.027 176.300 0.347 0.000 1.149 655 M CA -0.327 55.092 55.300 0.199 0.000 0.929 655 M CB 2.234 34.902 32.600 0.114 0.000 1.683 655 M HN 0.184 nan 8.290 nan 0.000 0.470 656 V N 3.645 123.749 119.914 0.316 0.000 2.555 656 V HA 1.025 5.152 4.120 0.012 0.000 0.302 656 V C -0.360 175.845 176.094 0.185 0.000 1.038 656 V CA -0.256 62.218 62.300 0.291 0.000 0.887 656 V CB 1.361 33.379 31.823 0.325 0.000 0.991 656 V HN 1.046 nan 8.190 nan 0.000 0.434 657 A N 4.044 126.979 122.820 0.191 0.000 2.498 657 A HA 0.891 5.218 4.320 0.012 0.000 0.298 657 A C -1.527 176.163 177.584 0.177 0.000 1.075 657 A CA -0.617 51.500 52.037 0.133 0.000 0.714 657 A CB 1.763 20.805 19.000 0.070 0.000 1.299 657 A HN 0.870 nan 8.150 nan 0.000 0.407 658 L N 1.355 122.655 121.223 0.128 0.000 2.276 658 L HA 0.565 4.912 4.340 0.012 0.000 0.286 658 L C -0.604 176.359 176.870 0.154 0.000 1.024 658 L CA 0.301 55.229 54.840 0.147 0.000 0.826 658 L CB 0.368 42.484 42.059 0.095 0.000 1.211 658 L HN 0.754 nan 8.230 nan 0.000 0.422 659 D N 4.716 125.271 120.400 0.259 0.000 2.686 659 D HA -0.199 4.448 4.640 0.012 0.000 0.235 659 D C 1.164 177.514 176.300 0.085 0.000 1.160 659 D CA 1.591 55.741 54.000 0.250 0.000 0.645 659 D CB -1.056 39.847 40.800 0.173 0.000 1.039 659 D HN 1.186 nan 8.370 nan 0.000 0.423 660 G N -0.827 107.986 108.800 0.022 0.000 2.199 660 G HA2 -0.367 3.600 3.960 0.012 0.000 0.254 660 G HA3 -0.367 3.600 3.960 0.012 0.000 0.254 660 G C 0.213 175.044 174.900 -0.116 0.000 0.982 660 G CA 0.604 45.609 45.100 -0.159 0.000 0.632 660 G HN 0.505 nan 8.290 nan 0.000 0.529 661 K N 1.575 121.955 120.400 -0.033 0.000 2.265 661 K HA 0.508 4.835 4.320 0.012 0.000 0.267 661 K C -2.790 173.805 176.600 -0.007 0.000 0.994 661 K CA -2.125 54.143 56.287 -0.033 0.000 0.860 661 K CB 2.134 34.629 32.500 -0.009 0.000 1.099 661 K HN -0.004 nan 8.250 nan 0.000 0.448 662 P HA 0.011 nan 4.420 nan 0.000 0.267 662 P C -0.090 177.216 177.300 0.010 0.000 1.205 662 P CA 0.123 63.215 63.100 -0.013 0.000 0.765 662 P CB 0.665 32.339 31.700 -0.044 0.000 0.828 663 L N 1.323 122.569 121.223 0.039 0.000 2.730 663 L HA 0.489 4.836 4.340 0.012 0.000 0.236 663 L C 0.754 177.657 176.870 0.056 0.000 1.061 663 L CA 0.288 55.159 54.840 0.051 0.000 0.898 663 L CB 0.382 42.487 42.059 0.078 0.000 1.270 663 L HN 0.396 nan 8.230 nan 0.000 0.500 664 A N -0.208 122.652 122.820 0.066 0.000 2.597 664 A HA 0.677 5.004 4.320 0.012 0.000 0.292 664 A C -1.042 176.448 177.584 -0.156 0.000 1.057 664 A CA 0.036 52.098 52.037 0.042 0.000 0.674 664 A CB 1.614 20.747 19.000 0.222 0.000 1.278 664 A HN 0.068 nan 8.150 nan 0.000 0.416 665 S N -0.602 114.771 115.700 -0.544 0.000 2.578 665 S HA 0.919 5.396 4.470 0.012 0.000 0.272 665 S C -0.313 173.434 174.600 -1.422 0.000 1.145 665 S CA -0.037 57.462 58.200 -1.169 0.000 0.835 665 S CB 0.966 63.901 63.200 -0.441 0.000 1.104 665 S HN 2.590 nan 8.310 nan 0.000 0.458 666 G N 0.181 107.721 108.800 -2.100 0.000 2.606 666 G HA2 0.708 4.675 3.960 0.012 0.000 0.300 666 G HA3 0.708 4.675 3.960 0.012 0.000 0.300 666 G C -2.248 171.974 174.900 -1.131 0.000 1.360 666 G CA -0.895 43.514 45.100 -1.150 0.000 0.783 666 G HN 0.893 nan 8.290 nan 0.000 0.484 667 E N -1.410 118.515 120.200 -0.457 0.000 2.367 667 E HA 0.688 5.045 4.350 0.012 0.000 0.273 667 E C -1.535 175.071 176.600 0.011 0.000 0.903 667 E CA -0.991 55.230 56.400 -0.298 0.000 0.764 667 E CB 3.248 32.785 29.700 -0.271 0.000 1.252 667 E HN 0.354 nan 8.360 nan 0.000 0.446 668 V N 1.886 121.842 119.914 0.070 0.000 2.808 668 V HA 0.436 4.563 4.120 0.012 0.000 0.308 668 V C -2.433 173.704 176.094 0.072 0.000 1.099 668 V CA -1.847 60.506 62.300 0.088 0.000 0.920 668 V CB 2.298 34.193 31.823 0.120 0.000 1.014 668 V HN 0.649 nan 8.190 nan 0.000 0.425 669 P HA 0.313 nan 4.420 nan 0.000 0.275 669 P C -0.942 176.399 177.300 0.068 0.000 1.228 669 P CA -0.260 62.877 63.100 0.061 0.000 0.786 669 P CB 1.171 32.905 31.700 0.056 0.000 0.927 670 L N 2.464 123.724 121.223 0.063 0.000 2.275 670 L HA 0.316 4.663 4.340 0.012 0.000 0.288 670 L C 0.227 177.167 176.870 0.116 0.000 1.046 670 L CA 0.043 54.920 54.840 0.062 0.000 0.805 670 L CB 0.786 42.833 42.059 -0.020 0.000 1.193 670 L HN 0.334 nan 8.230 nan 0.000 0.426 671 D N 3.089 123.579 120.400 0.151 0.000 2.400 671 D HA 0.325 4.972 4.640 0.012 0.000 0.272 671 D C -1.314 175.152 176.300 0.277 0.000 1.220 671 D CA 0.055 54.217 54.000 0.271 0.000 0.897 671 D CB 1.349 42.269 40.800 0.200 0.000 1.134 671 D HN 0.087 nan 8.370 nan 0.000 0.507 672 V N 1.708 121.662 119.914 0.068 0.000 2.656 672 V HA 0.878 5.005 4.120 0.012 0.000 0.307 672 V C -0.315 175.424 176.094 -0.592 0.000 1.051 672 V CA -0.573 61.678 62.300 -0.082 0.000 0.893 672 V CB 1.562 33.432 31.823 0.078 0.000 0.999 672 V HN 0.463 nan 8.190 nan 0.000 0.426 673 A N 8.299 130.827 122.820 -0.486 0.000 2.313 673 A HA 0.774 5.101 4.320 0.012 0.000 0.261 673 A C -2.489 174.975 177.584 -0.200 0.000 1.090 673 A CA -1.440 50.304 52.037 -0.489 0.000 0.807 673 A CB -0.019 18.945 19.000 -0.060 0.000 1.055 673 A HN 0.755 nan 8.150 nan 0.000 0.492 674 P HA 0.028 nan 4.420 nan 0.000 0.265 674 P C -0.501 176.761 177.300 -0.064 0.000 1.193 674 P CA 0.536 63.601 63.100 -0.059 0.000 0.765 674 P CB 0.533 32.201 31.700 -0.053 0.000 0.823 675 Q N -0.967 118.788 119.800 -0.074 0.000 2.348 675 Q HA -0.196 4.151 4.340 0.012 0.000 0.221 675 Q C 0.687 176.661 176.000 -0.043 0.000 0.735 675 Q CA 1.638 57.399 55.803 -0.071 0.000 1.351 675 Q CB -2.773 25.923 28.738 -0.071 0.000 1.640 675 Q HN 0.689 nan 8.270 nan 0.000 0.667 676 G N 0.574 109.354 108.800 -0.034 0.000 2.588 676 G HA2 0.509 4.476 3.960 0.012 0.000 0.281 676 G HA3 0.509 4.476 3.960 0.012 0.000 0.281 676 G C -0.411 174.494 174.900 0.009 0.000 1.236 676 G CA -0.572 44.522 45.100 -0.011 0.000 0.969 676 G HN 0.046 nan 8.290 nan 0.000 0.504 677 K N -0.559 119.855 120.400 0.024 0.000 2.422 677 K HA 0.410 4.737 4.320 0.012 0.000 0.251 677 K C -0.948 175.683 176.600 0.051 0.000 0.933 677 K CA -0.537 55.773 56.287 0.039 0.000 0.798 677 K CB 2.595 35.112 32.500 0.029 0.000 1.238 677 K HN 0.519 nan 8.250 nan 0.000 0.428 678 Q N 3.294 123.132 119.800 0.065 0.000 2.323 678 Q HA 0.413 4.760 4.340 0.012 0.000 0.271 678 Q C -1.478 174.557 176.000 0.060 0.000 1.048 678 Q CA -0.694 55.149 55.803 0.067 0.000 0.792 678 Q CB 1.384 30.172 28.738 0.084 0.000 1.280 678 Q HN 0.517 nan 8.270 nan 0.000 0.441 679 L N 5.210 126.457 121.223 0.040 0.000 2.289 679 L HA 0.536 4.883 4.340 0.012 0.000 0.285 679 L C -0.504 176.371 176.870 0.009 0.000 1.049 679 L CA -0.645 54.207 54.840 0.020 0.000 0.804 679 L CB 1.189 43.251 42.059 0.005 0.000 1.195 679 L HN 0.622 nan 8.230 nan 0.000 0.428 680 I N 2.866 123.429 120.570 -0.011 0.000 2.410 680 I HA 0.209 4.386 4.170 0.012 0.000 0.286 680 I C -0.458 175.600 176.117 -0.099 0.000 1.009 680 I CA -0.525 60.753 61.300 -0.037 0.000 1.111 680 I CB 2.092 40.082 38.000 -0.017 0.000 1.262 680 I HN 0.534 nan 8.210 nan 0.000 0.443 681 E N 6.299 126.440 120.200 -0.098 0.000 2.130 681 E HA 0.382 4.739 4.350 0.012 0.000 0.284 681 E C -0.669 175.813 176.600 -0.197 0.000 1.018 681 E CA -0.265 56.055 56.400 -0.133 0.000 0.817 681 E CB 0.991 30.636 29.700 -0.092 0.000 1.078 681 E HN 0.422 nan 8.360 nan 0.000 0.396 682 L N 5.529 126.575 121.223 -0.294 0.000 2.439 682 L HA 0.281 4.628 4.340 0.012 0.000 0.269 682 L C -1.804 174.888 176.870 -0.297 0.000 1.179 682 L CA -1.880 52.689 54.840 -0.451 0.000 0.828 682 L CB 0.324 42.032 42.059 -0.585 0.000 1.106 682 L HN 0.360 nan 8.230 nan 0.000 0.467 683 P HA 0.003 nan 4.420 nan 0.000 0.272 683 P C -0.525 176.720 177.300 -0.092 0.000 1.240 683 P CA -0.462 62.574 63.100 -0.106 0.000 0.791 683 P CB 0.383 32.093 31.700 0.016 0.000 0.978 684 E N 1.363 121.541 120.200 -0.038 0.000 2.480 684 E HA 0.019 4.376 4.350 0.012 0.000 0.258 684 E C -0.644 175.957 176.600 0.000 0.000 0.984 684 E CA 0.376 56.761 56.400 -0.025 0.000 0.930 684 E CB 0.104 29.799 29.700 -0.008 0.000 0.936 684 E HN 0.295 nan 8.360 nan 0.000 0.466 685 L N 4.682 125.901 121.223 -0.007 0.000 2.341 685 L HA 0.474 4.821 4.340 0.012 0.000 0.267 685 L C -2.031 174.859 176.870 0.033 0.000 1.022 685 L CA -2.426 52.431 54.840 0.028 0.000 0.844 685 L CB 1.118 43.182 42.059 0.009 0.000 1.436 685 L HN 0.455 nan 8.230 nan 0.000 0.483 686 P HA 0.162 nan 4.420 nan 0.000 0.271 686 P C -1.367 175.951 177.300 0.030 0.000 1.226 686 P CA -0.040 63.087 63.100 0.046 0.000 0.765 686 P CB 0.559 32.297 31.700 0.063 0.000 0.835 687 Q N 4.214 124.027 119.800 0.021 0.000 2.607 687 Q HA 0.342 4.689 4.340 0.012 0.000 0.247 687 Q C -2.341 173.669 176.000 0.017 0.000 1.033 687 Q CA -1.458 54.353 55.803 0.013 0.000 0.769 687 Q CB 1.101 29.842 28.738 0.004 0.000 1.169 687 Q HN 0.342 nan 8.270 nan 0.000 0.508 688 P HA 0.183 nan 4.420 nan 0.000 0.294 688 P C -0.236 177.076 177.300 0.020 0.000 1.294 688 P CA -0.451 62.663 63.100 0.023 0.000 0.827 688 P CB 1.459 33.178 31.700 0.032 0.000 0.992 689 E N -0.039 120.172 120.200 0.019 0.000 2.447 689 E HA 0.007 4.364 4.350 0.012 0.000 0.195 689 E C 0.675 177.287 176.600 0.021 0.000 1.028 689 E CA 0.179 56.590 56.400 0.017 0.000 0.876 689 E CB -0.089 29.620 29.700 0.014 0.000 0.885 689 E HN 0.344 nan 8.360 nan 0.000 0.500 690 S N 1.048 116.762 115.700 0.024 0.000 2.562 690 S HA 0.311 4.788 4.470 0.012 0.000 0.281 690 S C 0.273 174.893 174.600 0.034 0.000 1.333 690 S CA -0.170 58.047 58.200 0.029 0.000 1.052 690 S CB 0.539 63.757 63.200 0.031 0.000 0.884 690 S HN 0.285 nan 8.310 nan 0.000 0.506 691 A N 3.382 126.225 122.820 0.037 0.000 2.483 691 A HA 0.607 4.934 4.320 0.012 0.000 0.238 691 A C 0.976 178.592 177.584 0.054 0.000 1.070 691 A CA 0.446 52.509 52.037 0.043 0.000 0.770 691 A CB -0.820 18.208 19.000 0.046 0.000 1.008 691 A HN 1.922 nan 8.150 nan 0.000 0.497 692 G N -0.019 108.813 108.800 0.054 0.000 2.351 692 G HA2 0.432 4.399 3.960 0.012 0.000 0.353 692 G HA3 0.432 4.399 3.960 0.012 0.000 0.353 692 G C -1.069 173.861 174.900 0.050 0.000 1.358 692 G CA -0.229 44.915 45.100 0.073 0.000 0.995 692 G HN 1.178 nan 8.290 nan 0.000 0.611 693 Q N -0.247 119.597 119.800 0.073 0.000 2.290 693 Q HA 0.722 5.069 4.340 0.012 0.000 0.259 693 Q C -0.320 175.721 176.000 0.069 0.000 0.941 693 Q CA -0.534 55.268 55.803 -0.002 0.000 0.912 693 Q CB 1.219 29.905 28.738 -0.088 0.000 1.244 693 Q HN 0.570 nan 8.270 nan 0.000 0.441 694 L N 4.464 125.677 121.223 -0.017 0.000 2.326 694 L HA 0.460 4.807 4.340 0.012 0.000 0.278 694 L C -0.882 175.989 176.870 0.001 0.000 1.092 694 L CA -0.294 54.583 54.840 0.061 0.000 0.810 694 L CB 0.671 42.746 42.059 0.028 0.000 1.153 694 L HN 0.693 nan 8.230 nan 0.000 0.439 695 W N 4.450 125.793 121.300 0.072 0.000 2.739 695 W HA 0.473 5.140 4.660 0.011 0.000 0.331 695 W C -0.859 175.755 176.519 0.158 0.000 1.049 695 W CA -0.541 56.868 57.345 0.107 0.000 1.234 695 W CB 1.655 31.187 29.460 0.120 0.000 1.404 695 W HN 0.113 nan 8.180 nan 0.000 0.477 696 L N 3.794 125.288 121.223 0.452 0.000 2.275 696 L HA 0.745 5.092 4.340 0.012 0.000 0.288 696 L C -0.267 176.904 176.870 0.502 0.000 1.046 696 L CA 0.347 55.444 54.840 0.427 0.000 0.805 696 L CB 0.966 43.238 42.059 0.356 0.000 1.193 696 L HN 0.326 nan 8.230 nan 0.000 0.426 697 T N 5.051 119.850 114.554 0.409 0.000 2.841 697 T HA 0.681 5.038 4.350 0.012 0.000 0.283 697 T C -0.773 174.130 174.700 0.338 0.000 1.000 697 T CA -0.437 61.867 62.100 0.340 0.000 0.977 697 T CB 1.651 70.652 68.868 0.222 0.000 0.979 697 T HN 0.596 nan 8.240 nan 0.000 0.446 698 V N 1.409 121.495 119.914 0.286 0.000 2.769 698 V HA 0.869 4.996 4.120 0.012 0.000 0.312 698 V C -0.837 175.354 176.094 0.163 0.000 1.061 698 V CA -1.166 61.267 62.300 0.222 0.000 0.931 698 V CB 1.921 33.818 31.823 0.124 0.000 1.010 698 V HN 0.833 nan 8.190 nan 0.000 0.433 699 R N 2.119 122.740 120.500 0.202 0.000 2.673 699 R HA 0.776 5.123 4.340 0.012 0.000 0.281 699 R C -1.654 174.788 176.300 0.236 0.000 0.991 699 R CA -0.766 55.480 56.100 0.242 0.000 0.896 699 R CB 2.721 33.134 30.300 0.189 0.000 1.201 699 R HN 0.669 nan 8.270 nan 0.000 0.457 700 V N 3.365 123.444 119.914 0.275 0.000 2.370 700 V HA 0.368 4.495 4.120 0.012 0.000 0.279 700 V C -0.317 175.893 176.094 0.193 0.000 1.029 700 V CA -0.565 61.859 62.300 0.207 0.000 0.870 700 V CB 1.603 33.533 31.823 0.178 0.000 0.984 700 V HN 0.436 nan 8.190 nan 0.000 0.451 701 V N 5.089 125.093 119.914 0.151 0.000 2.628 701 V HA 0.419 4.546 4.120 0.012 0.000 0.306 701 V C -0.221 175.951 176.094 0.130 0.000 1.045 701 V CA -0.787 61.591 62.300 0.129 0.000 0.905 701 V CB 1.953 33.839 31.823 0.106 0.000 0.997 701 V HN 0.862 nan 8.190 nan 0.000 0.436 702 Q N 5.151 125.038 119.800 0.146 0.000 2.390 702 Q HA 0.268 4.615 4.340 0.012 0.000 0.249 702 Q C -1.712 174.330 176.000 0.071 0.000 0.996 702 Q CA -1.787 54.089 55.803 0.123 0.000 0.899 702 Q CB 1.932 30.760 28.738 0.151 0.000 1.216 702 Q HN 0.490 nan 8.270 nan 0.000 0.465 703 P HA -0.164 nan 4.420 nan 0.000 0.217 703 P C -0.539 176.767 177.300 0.011 0.000 1.150 703 P CA 1.162 64.283 63.100 0.035 0.000 0.832 703 P CB 0.359 32.080 31.700 0.036 0.000 0.787 704 N N -0.566 118.131 118.700 -0.005 0.000 2.487 704 N HA 0.442 5.189 4.740 0.012 0.000 0.292 704 N C -0.217 175.248 175.510 -0.076 0.000 1.108 704 N CA -0.699 52.332 53.050 -0.032 0.000 0.956 704 N CB 1.031 39.499 38.487 -0.030 0.000 1.176 704 N HN -0.039 nan 8.380 nan 0.000 0.484 705 A N 0.749 123.517 122.820 -0.086 0.000 2.386 705 A HA 0.475 4.802 4.320 0.012 0.000 0.246 705 A C 0.590 178.055 177.584 -0.198 0.000 1.089 705 A CA -0.025 51.927 52.037 -0.142 0.000 0.790 705 A CB 0.062 19.004 19.000 -0.097 0.000 1.042 705 A HN 0.714 nan 8.150 nan 0.000 0.497 706 T N -3.553 110.804 114.554 -0.328 0.000 2.742 706 T HA 0.623 4.980 4.350 0.012 0.000 0.282 706 T C 0.878 175.419 174.700 -0.264 0.000 1.025 706 T CA 0.073 61.953 62.100 -0.367 0.000 1.020 706 T CB 1.068 69.458 68.868 -0.796 0.000 1.317 706 T HN 1.384 nan 8.240 nan 0.000 0.538 707 A N -0.142 122.599 122.820 -0.132 0.000 2.119 707 A HA 0.140 4.467 4.320 0.012 0.000 0.217 707 A C 1.608 179.319 177.584 0.211 0.000 1.153 707 A CA 0.914 52.981 52.037 0.049 0.000 0.692 707 A CB -0.871 18.171 19.000 0.070 0.000 0.799 707 A HN 0.902 nan 8.150 nan 0.000 0.458 708 W N -0.686 120.678 121.300 0.107 0.000 2.870 708 W HA 0.414 5.082 4.660 0.012 0.000 0.358 708 W C -0.244 176.255 176.519 -0.033 0.000 1.043 708 W CA 0.470 57.861 57.345 0.077 0.000 1.692 708 W CB -0.883 28.620 29.460 0.072 0.000 1.100 708 W HN 0.397 nan 8.180 nan 0.000 0.557 709 S N 0.048 115.391 115.700 -0.594 0.000 2.570 709 S HA 0.460 4.937 4.470 0.012 0.000 0.270 709 S C -1.138 173.256 174.600 -0.342 0.000 1.149 709 S CA -0.788 57.082 58.200 -0.551 0.000 0.837 709 S CB 2.657 65.181 63.200 -1.127 0.000 1.124 709 S HN 0.097 nan 8.310 nan 0.000 0.465 710 E N 0.615 120.720 120.200 -0.158 0.000 2.283 710 E HA 0.638 4.995 4.350 0.012 0.000 0.267 710 E C 0.235 176.809 176.600 -0.043 0.000 1.045 710 E CA -0.864 55.492 56.400 -0.072 0.000 0.884 710 E CB 1.148 30.847 29.700 -0.003 0.000 1.106 710 E HN 0.887 nan 8.360 nan 0.000 0.408 711 A N 0.891 123.691 122.820 -0.033 0.000 2.520 711 A HA 0.364 4.691 4.320 0.012 0.000 0.235 711 A C 1.223 178.823 177.584 0.027 0.000 1.065 711 A CA 0.760 52.791 52.037 -0.011 0.000 0.764 711 A CB -0.617 18.377 19.000 -0.010 0.000 1.002 711 A HN 0.855 nan 8.150 nan 0.000 0.502 712 G N 0.237 109.064 108.800 0.044 0.000 2.179 712 G HA2 -0.268 3.699 3.960 0.012 0.000 0.260 712 G HA3 -0.268 3.699 3.960 0.012 0.000 0.260 712 G C 0.263 175.218 174.900 0.093 0.000 0.977 712 G CA 0.845 45.978 45.100 0.055 0.000 0.641 712 G HN 1.865 nan 8.290 nan 0.000 0.533 713 H N 0.662 119.745 119.070 0.021 0.000 3.064 713 H HA 0.401 4.964 4.556 0.011 0.000 0.329 713 H C 0.822 176.230 175.328 0.133 0.000 1.020 713 H CA 0.388 56.476 56.048 0.068 0.000 1.402 713 H CB 0.174 29.959 29.762 0.037 0.000 1.379 713 H HN 0.316 nan 8.280 nan 0.000 0.594 714 I N 4.609 124.930 120.570 -0.415 0.000 2.342 714 I HA 0.032 4.209 4.170 0.012 0.000 0.291 714 I C 0.895 176.869 176.117 -0.239 0.000 1.010 714 I CA 0.105 61.296 61.300 -0.182 0.000 1.308 714 I CB 1.471 39.437 38.000 -0.058 0.000 1.400 714 I HN 0.786 nan 8.210 nan 0.000 0.488 715 S N 4.081 119.867 115.700 0.144 0.000 2.512 715 S HA 0.579 5.056 4.470 0.012 0.000 0.216 715 S C 0.394 175.262 174.600 0.448 0.000 1.006 715 S CA -0.052 58.370 58.200 0.370 0.000 0.915 715 S CB 0.608 64.148 63.200 0.566 0.000 0.824 715 S HN 0.733 nan 8.310 nan 0.000 0.497 716 A N 0.480 123.598 122.820 0.495 0.000 2.586 716 A HA 0.674 5.001 4.320 0.012 0.000 0.291 716 A C -1.899 176.054 177.584 0.616 0.000 1.062 716 A CA -0.850 51.455 52.037 0.446 0.000 0.666 716 A CB 0.303 19.613 19.000 0.516 0.000 1.281 716 A HN 0.959 nan 8.150 nan 0.000 0.421 717 W N -0.479 121.016 121.300 0.326 0.000 2.989 717 W HA 0.793 5.461 4.660 0.013 0.000 0.344 717 W C -1.217 175.386 176.519 0.141 0.000 1.233 717 W CA -0.545 56.890 57.345 0.151 0.000 1.187 717 W CB 1.090 30.606 29.460 0.094 0.000 1.443 717 W HN 1.062 nan 8.180 nan 0.000 0.573 718 Q N 1.004 120.890 119.800 0.144 0.000 2.578 718 Q HA 0.480 4.827 4.340 0.012 0.000 0.284 718 Q C -1.724 174.160 176.000 -0.194 0.000 0.960 718 Q CA -0.488 55.247 55.803 -0.115 0.000 0.809 718 Q CB 2.497 30.989 28.738 -0.410 0.000 1.462 718 Q HN 0.622 nan 8.270 nan 0.000 0.392 719 Q N 1.059 120.664 119.800 -0.326 0.000 2.421 719 Q HA 0.636 4.983 4.340 0.012 0.000 0.280 719 Q C -1.361 174.540 176.000 -0.166 0.000 1.085 719 Q CA -0.685 55.121 55.803 0.004 0.000 0.807 719 Q CB 2.166 31.079 28.738 0.292 0.000 1.405 719 Q HN 0.628 nan 8.270 nan 0.000 0.419 720 W N 1.109 122.576 121.300 0.278 0.000 3.127 720 W HA 0.442 5.109 4.660 0.011 0.000 0.330 720 W C -0.457 175.993 176.519 -0.115 0.000 1.187 720 W CA -0.657 56.743 57.345 0.092 0.000 1.198 720 W CB 1.772 31.250 29.460 0.031 0.000 1.408 720 W HN 0.442 nan 8.180 nan 0.000 0.529 721 R N 1.776 122.135 120.500 -0.236 0.000 2.438 721 R HA 0.430 4.777 4.340 0.012 0.000 0.287 721 R C 0.505 176.664 176.300 -0.235 0.000 1.077 721 R CA -0.068 55.646 56.100 -0.644 0.000 1.034 721 R CB 1.057 30.917 30.300 -0.734 0.000 0.993 721 R HN 0.299 nan 8.270 nan 0.000 0.459 722 L N 1.259 122.354 121.223 -0.213 0.000 2.783 722 L HA 0.521 4.868 4.340 0.012 0.000 0.205 722 L C 0.532 177.324 176.870 -0.131 0.000 1.985 722 L CA -1.058 53.714 54.840 -0.113 0.000 2.546 722 L CB -0.087 41.941 42.059 -0.050 0.000 2.829 722 L HN 0.595 nan 8.230 nan 0.000 0.614 723 A N 0.482 123.251 122.820 -0.085 0.000 2.498 723 A HA 0.160 4.487 4.320 0.012 0.000 0.239 723 A C -0.257 177.277 177.584 -0.083 0.000 1.068 723 A CA 0.217 52.209 52.037 -0.074 0.000 0.766 723 A CB 0.037 19.010 19.000 -0.044 0.000 1.003 723 A HN 0.595 nan 8.150 nan 0.000 0.497 724 E N 1.425 121.580 120.200 -0.076 0.000 2.187 724 E HA 0.297 4.654 4.350 0.012 0.000 0.268 724 E C -1.302 175.280 176.600 -0.030 0.000 0.896 724 E CA -0.650 55.711 56.400 -0.066 0.000 0.766 724 E CB 0.785 30.434 29.700 -0.085 0.000 1.142 724 E HN 0.672 nan 8.360 nan 0.000 0.408 725 N N 5.099 123.794 118.700 -0.009 0.000 2.564 725 N HA 0.254 5.001 4.740 0.012 0.000 0.248 725 N C -0.707 174.811 175.510 0.014 0.000 0.986 725 N CA -0.336 52.716 53.050 0.004 0.000 0.921 725 N CB 1.064 39.557 38.487 0.010 0.000 1.136 725 N HN 0.510 nan 8.380 nan 0.000 0.509 726 L N 1.020 122.250 121.223 0.012 0.000 2.455 726 L HA 0.072 4.419 4.340 0.012 0.000 0.272 726 L C 1.318 178.206 176.870 0.029 0.000 1.174 726 L CA 0.171 55.024 54.840 0.022 0.000 0.869 726 L CB 0.440 42.511 42.059 0.020 0.000 1.130 726 L HN 0.340 nan 8.230 nan 0.000 0.474 727 S N 2.125 117.848 115.700 0.038 0.000 2.516 727 S HA 0.189 4.666 4.470 0.012 0.000 0.282 727 S C 0.723 175.345 174.600 0.036 0.000 1.286 727 S CA -0.707 57.516 58.200 0.039 0.000 1.066 727 S CB 0.735 63.964 63.200 0.048 0.000 0.884 727 S HN 0.479 nan 8.310 nan 0.000 0.491 728 V N 2.260 122.192 119.914 0.031 0.000 3.477 728 V HA 0.313 4.440 4.120 0.012 0.000 0.297 728 V C 0.796 176.907 176.094 0.028 0.000 1.433 728 V CA 0.232 62.549 62.300 0.028 0.000 1.052 728 V CB -0.701 31.136 31.823 0.023 0.000 0.895 728 V HN 0.869 nan 8.190 nan 0.000 0.438 729 T N 1.407 115.979 114.554 0.030 0.000 2.834 729 T HA 0.606 4.963 4.350 0.012 0.000 0.298 729 T C -0.211 174.508 174.700 0.033 0.000 0.966 729 T CA -0.261 61.857 62.100 0.030 0.000 1.141 729 T CB 0.710 69.595 68.868 0.028 0.000 0.905 729 T HN 0.304 nan 8.240 nan 0.000 0.535 730 L N 4.775 126.016 121.223 0.030 0.000 2.397 730 L HA 0.406 4.753 4.340 0.012 0.000 0.271 730 L C -1.548 175.342 176.870 0.033 0.000 1.148 730 L CA -1.766 53.093 54.840 0.031 0.000 0.825 730 L CB -0.627 41.449 42.059 0.027 0.000 1.117 730 L HN 0.546 nan 8.230 nan 0.000 0.456 731 P HA 0.220 nan 4.420 nan 0.000 0.271 731 P C -0.691 176.628 177.300 0.032 0.000 1.216 731 P CA -0.459 62.660 63.100 0.033 0.000 0.776 731 P CB 0.714 32.433 31.700 0.032 0.000 0.881 732 A N 2.737 125.577 122.820 0.034 0.000 2.492 732 A HA 0.470 4.797 4.320 0.012 0.000 0.254 732 A C 0.728 178.336 177.584 0.040 0.000 1.091 732 A CA -0.149 51.914 52.037 0.044 0.000 0.768 732 A CB -0.427 18.606 19.000 0.055 0.000 1.028 732 A HN 0.710 nan 8.150 nan 0.000 0.498 733 A N 3.379 126.232 122.820 0.055 0.000 2.565 733 A HA 0.432 4.759 4.320 0.012 0.000 0.237 733 A C 0.907 178.515 177.584 0.039 0.000 1.053 733 A CA 0.600 52.670 52.037 0.055 0.000 0.755 733 A CB -0.394 18.652 19.000 0.077 0.000 0.980 733 A HN 1.514 nan 8.150 nan 0.000 0.506 734 S N 1.414 117.088 115.700 -0.043 0.000 2.554 734 S HA 0.455 4.932 4.470 0.012 0.000 0.278 734 S C -0.279 174.231 174.600 -0.149 0.000 1.242 734 S CA -0.622 57.436 58.200 -0.237 0.000 1.051 734 S CB 0.618 63.717 63.200 -0.168 0.000 0.986 734 S HN 0.742 nan 8.310 nan 0.000 0.502 735 H N 0.310 119.394 119.070 0.024 0.000 2.595 735 H HA 0.693 5.256 4.556 0.012 0.000 0.264 735 H C 0.091 175.435 175.328 0.026 0.000 1.503 735 H CA -0.287 55.774 56.048 0.022 0.000 1.142 735 H CB -0.360 29.412 29.762 0.017 0.000 1.554 735 H HN 0.832 nan 8.280 nan 0.000 0.501 736 A N 1.736 124.568 122.820 0.020 0.000 2.590 736 A HA 0.490 4.817 4.320 0.012 0.000 0.294 736 A C -1.824 175.781 177.584 0.036 0.000 1.046 736 A CA -0.763 51.292 52.037 0.030 0.000 0.684 736 A CB 1.602 20.605 19.000 0.005 0.000 1.279 736 A HN 0.319 nan 8.150 nan 0.000 0.415 737 I N 1.739 122.353 120.570 0.073 0.000 2.512 737 I HA 0.563 4.740 4.170 0.012 0.000 0.287 737 I C -2.974 173.234 176.117 0.151 0.000 1.069 737 I CA -2.225 59.124 61.300 0.082 0.000 1.056 737 I CB 1.854 39.894 38.000 0.065 0.000 1.229 737 I HN 0.337 nan 8.210 nan 0.000 0.429 738 P HA 0.128 nan 4.420 nan 0.000 0.266 738 P C -1.028 176.422 177.300 0.250 0.000 1.193 738 P CA 0.538 63.727 63.100 0.147 0.000 0.770 738 P CB 0.253 31.975 31.700 0.037 0.000 0.836 739 H N 0.899 119.996 119.070 0.044 0.000 2.472 739 H HA 0.408 4.971 4.556 0.012 0.000 0.338 739 H C -0.469 174.884 175.328 0.041 0.000 1.133 739 H CA -0.985 55.081 56.048 0.030 0.000 1.216 739 H CB 1.615 31.397 29.762 0.033 0.000 1.497 739 H HN 0.262 nan 8.280 nan 0.000 0.500 740 L N 2.457 123.725 121.223 0.075 0.000 2.317 740 L HA 0.361 4.708 4.340 0.012 0.000 0.281 740 L C -0.567 176.348 176.870 0.074 0.000 1.024 740 L CA -0.015 54.859 54.840 0.057 0.000 0.810 740 L CB 1.727 43.762 42.059 -0.041 0.000 1.240 740 L HN 0.509 nan 8.230 nan 0.000 0.427 741 T N 3.171 117.797 114.554 0.120 0.000 2.861 741 T HA 0.638 4.995 4.350 0.012 0.000 0.287 741 T C -0.646 174.153 174.700 0.166 0.000 1.003 741 T CA -0.408 61.760 62.100 0.114 0.000 0.977 741 T CB 1.555 70.484 68.868 0.101 0.000 0.996 741 T HN 0.708 nan 8.240 nan 0.000 0.448 742 T N 2.307 116.955 114.554 0.156 0.000 2.908 742 T HA 0.818 5.175 4.350 0.012 0.000 0.290 742 T C -0.431 174.322 174.700 0.087 0.000 1.034 742 T CA -0.761 61.458 62.100 0.200 0.000 1.010 742 T CB 1.601 70.613 68.868 0.239 0.000 1.068 742 T HN 0.756 nan 8.240 nan 0.000 0.481 743 S N 0.292 116.005 115.700 0.022 0.000 2.671 743 S HA 0.459 4.936 4.470 0.012 0.000 0.277 743 S C 0.760 175.316 174.600 -0.072 0.000 1.165 743 S CA -0.877 57.317 58.200 -0.011 0.000 0.822 743 S CB 1.671 64.867 63.200 -0.006 0.000 1.150 743 S HN 0.721 nan 8.310 nan 0.000 0.479 744 E N -0.567 119.597 120.200 -0.060 0.000 2.204 744 E HA -0.108 4.249 4.350 0.012 0.000 0.195 744 E C 0.958 177.479 176.600 -0.131 0.000 0.990 744 E CA 1.131 57.479 56.400 -0.086 0.000 0.821 744 E CB -0.081 29.588 29.700 -0.050 0.000 0.750 744 E HN 0.547 nan 8.360 nan 0.000 0.477 745 M N 0.261 119.797 119.600 -0.106 0.000 2.461 745 M HA 0.171 4.657 4.480 0.012 0.000 0.255 745 M C -0.120 176.102 176.300 -0.131 0.000 1.137 745 M CA 0.552 55.793 55.300 -0.099 0.000 1.086 745 M CB 0.429 33.005 32.600 -0.039 0.000 1.356 745 M HN -0.115 nan 8.290 nan 0.000 0.487 746 D N -1.233 119.074 120.400 -0.155 0.000 2.583 746 D HA 0.437 5.084 4.640 0.012 0.000 0.248 746 D C -1.512 174.706 176.300 -0.136 0.000 1.209 746 D CA -0.309 53.622 54.000 -0.114 0.000 0.848 746 D CB 2.459 43.283 40.800 0.040 0.000 1.431 746 D HN -0.082 nan 8.370 nan 0.000 0.436 747 F N 0.799 120.830 119.950 0.135 0.000 2.477 747 F HA 0.382 4.916 4.527 0.012 0.000 0.335 747 F C -0.146 175.783 175.800 0.216 0.000 1.130 747 F CA -0.803 57.268 58.000 0.119 0.000 0.948 747 F CB 1.471 40.495 39.000 0.041 0.000 1.154 747 F HN 0.062 nan 8.300 nan 0.000 0.439 748 C N 4.852 124.370 119.300 0.363 0.000 2.345 748 C HA 0.726 5.193 4.460 0.012 0.000 0.323 748 C C -0.332 174.824 174.990 0.277 0.000 1.276 748 C CA -0.863 58.339 59.018 0.306 0.000 1.543 748 C CB 0.364 28.218 27.740 0.190 0.000 2.211 748 C HN 0.518 nan 8.230 nan 0.000 0.493 749 I N 2.539 123.325 120.570 0.361 0.000 2.474 749 I HA 0.535 4.712 4.170 0.012 0.000 0.294 749 I C -0.075 176.302 176.117 0.433 0.000 1.005 749 I CA -0.234 61.272 61.300 0.342 0.000 1.113 749 I CB 1.348 39.533 38.000 0.308 0.000 1.289 749 I HN 0.671 nan 8.210 nan 0.000 0.436 750 E N 5.668 126.056 120.200 0.314 0.000 2.266 750 E HA 0.773 5.130 4.350 0.012 0.000 0.268 750 E C -1.841 174.906 176.600 0.245 0.000 0.879 750 E CA -0.836 55.712 56.400 0.247 0.000 0.762 750 E CB 2.206 31.955 29.700 0.083 0.000 1.199 750 E HN 0.561 nan 8.360 nan 0.000 0.422 751 L N 4.971 126.348 121.223 0.256 0.000 2.676 751 L HA 0.513 4.860 4.340 0.012 0.000 0.262 751 L C 0.074 177.007 176.870 0.106 0.000 0.965 751 L CA 0.680 55.638 54.840 0.197 0.000 0.920 751 L CB 1.215 43.459 42.059 0.309 0.000 1.260 751 L HN 0.821 nan 8.230 nan 0.000 0.422 752 G N 4.251 113.067 108.800 0.025 0.000 2.583 752 G HA2 -0.419 3.548 3.960 0.012 0.000 0.292 752 G HA3 -0.419 3.548 3.960 0.012 0.000 0.292 752 G C 0.485 175.368 174.900 -0.029 0.000 1.203 752 G CA 0.597 45.695 45.100 -0.003 0.000 0.987 752 G HN 1.185 nan 8.290 nan 0.000 0.554 753 N N 1.291 119.968 118.700 -0.039 0.000 2.383 753 N HA 0.109 4.856 4.740 0.012 0.000 0.192 753 N C 0.481 175.926 175.510 -0.107 0.000 1.141 753 N CA 0.896 53.906 53.050 -0.068 0.000 0.851 753 N CB 0.157 38.608 38.487 -0.061 0.000 0.976 753 N HN 0.756 nan 8.380 nan 0.000 0.465 754 K N 0.473 120.800 120.400 -0.121 0.000 2.123 754 K HA 0.485 4.812 4.320 0.012 0.000 0.259 754 K C -0.216 176.183 176.600 -0.335 0.000 0.960 754 K CA -0.543 55.552 56.287 -0.320 0.000 0.872 754 K CB 1.702 33.937 32.500 -0.442 0.000 1.079 754 K HN 0.006 nan 8.250 nan 0.000 0.440 755 R N 1.362 121.569 120.500 -0.488 0.000 2.651 755 R HA 0.417 4.764 4.340 0.012 0.000 0.278 755 R C -1.226 174.947 176.300 -0.212 0.000 1.010 755 R CA -0.870 55.131 56.100 -0.165 0.000 0.896 755 R CB 1.856 32.109 30.300 -0.079 0.000 1.211 755 R HN 0.558 nan 8.270 nan 0.000 0.456 756 W N 2.085 123.511 121.300 0.211 0.000 2.785 756 W HA 0.357 5.024 4.660 0.012 0.000 0.333 756 W C -0.511 176.133 176.519 0.208 0.000 1.062 756 W CA -0.596 56.829 57.345 0.133 0.000 1.233 756 W CB 2.326 31.856 29.460 0.117 0.000 1.413 756 W HN 0.422 nan 8.180 nan 0.000 0.489 757 Q N 2.465 122.431 119.800 0.278 0.000 2.330 757 Q HA 0.500 4.847 4.340 0.012 0.000 0.269 757 Q C -1.957 174.072 176.000 0.048 0.000 1.022 757 Q CA -0.458 55.514 55.803 0.282 0.000 0.796 757 Q CB 1.574 30.521 28.738 0.349 0.000 1.271 757 Q HN 0.335 nan 8.270 nan 0.000 0.450 758 F N 2.462 122.508 119.950 0.161 0.000 2.467 758 F HA 0.346 4.880 4.527 0.012 0.000 0.336 758 F C 0.407 176.246 175.800 0.065 0.000 1.123 758 F CA -0.937 57.124 58.000 0.103 0.000 0.964 758 F CB 1.543 40.608 39.000 0.109 0.000 1.136 758 F HN 0.510 nan 8.300 nan 0.000 0.447 759 N N 3.364 122.178 118.700 0.189 0.000 2.430 759 N HA 0.110 4.857 4.740 0.012 0.000 0.265 759 N C 0.826 176.358 175.510 0.036 0.000 1.100 759 N CA 0.011 53.117 53.050 0.095 0.000 0.961 759 N CB 0.798 39.348 38.487 0.105 0.000 1.075 759 N HN 0.694 nan 8.380 nan 0.000 0.478 760 R N 2.255 122.701 120.500 -0.090 0.000 2.236 760 R HA -0.062 4.285 4.340 0.012 0.000 0.208 760 R C 1.594 177.831 176.300 -0.104 0.000 1.036 760 R CA 0.665 56.660 56.100 -0.174 0.000 1.001 760 R CB 0.227 30.297 30.300 -0.382 0.000 0.896 760 R HN 0.681 nan 8.270 nan 0.000 0.464 761 Q N 0.361 120.130 119.800 -0.052 0.000 2.165 761 Q HA -0.061 4.286 4.340 0.012 0.000 0.197 761 Q C 1.850 177.847 176.000 -0.005 0.000 0.952 761 Q CA 1.466 57.251 55.803 -0.030 0.000 0.848 761 Q CB 0.324 29.060 28.738 -0.004 0.000 0.931 761 Q HN 0.292 nan 8.270 nan 0.000 0.470 762 S N -1.798 113.929 115.700 0.044 0.000 2.470 762 S HA 0.195 4.672 4.470 0.012 0.000 0.222 762 S C 1.391 175.957 174.600 -0.057 0.000 1.024 762 S CA 0.636 58.893 58.200 0.095 0.000 0.931 762 S CB 0.551 63.919 63.200 0.280 0.000 0.791 762 S HN 0.614 nan 8.310 nan 0.000 0.513 763 G N 0.350 109.110 108.800 -0.066 0.000 2.143 763 G HA2 -0.209 3.758 3.960 0.012 0.000 0.249 763 G HA3 -0.209 3.758 3.960 0.012 0.000 0.249 763 G C -0.105 174.711 174.900 -0.141 0.000 0.981 763 G CA 0.219 45.232 45.100 -0.146 0.000 0.665 763 G HN 0.531 nan 8.290 nan 0.000 0.528 764 F N -1.353 118.773 119.950 0.294 0.000 2.598 764 F HA 0.676 5.210 4.527 0.012 0.000 0.327 764 F C 0.467 176.290 175.800 0.039 0.000 1.057 764 F CA -1.474 56.659 58.000 0.221 0.000 0.957 764 F CB 1.465 40.551 39.000 0.144 0.000 1.278 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.921 123.169 121.223 0.042 0.000 2.485 765 L HA 0.147 4.494 4.340 0.012 0.000 0.279 765 L C 1.024 177.784 176.870 -0.183 0.000 1.124 765 L CA 0.447 54.986 54.840 -0.502 0.000 0.888 765 L CB 0.308 42.007 42.059 -0.601 0.000 1.217 765 L HN 0.705 nan 8.230 nan 0.000 0.464 766 S N 2.644 118.243 115.700 -0.168 0.000 2.470 766 S HA 0.210 4.687 4.470 0.012 0.000 0.222 766 S C 0.618 175.104 174.600 -0.190 0.000 1.024 766 S CA 0.060 58.205 58.200 -0.092 0.000 0.931 766 S CB 0.082 63.281 63.200 -0.001 0.000 0.791 766 S HN 0.684 nan 8.310 nan 0.000 0.513 767 Q N -0.422 119.212 119.800 -0.276 0.000 2.578 767 Q HA 0.662 5.009 4.340 0.012 0.000 0.284 767 Q C -2.046 173.626 176.000 -0.547 0.000 0.960 767 Q CA -0.306 55.207 55.803 -0.483 0.000 0.809 767 Q CB 1.594 29.959 28.738 -0.623 0.000 1.462 767 Q HN 0.421 nan 8.270 nan 0.000 0.392 768 M N 1.510 120.651 119.600 -0.766 0.000 2.421 768 M HA 0.536 5.023 4.480 0.012 0.000 0.287 768 M C -1.615 174.286 176.300 -0.666 0.000 1.183 768 M CA -0.399 54.537 55.300 -0.606 0.000 0.916 768 M CB 2.102 34.328 32.600 -0.624 0.000 1.701 768 M HN 0.533 nan 8.290 nan 0.000 0.470 769 W N 3.744 124.801 121.300 -0.406 0.000 2.736 769 W HA 0.645 5.312 4.660 0.012 0.000 0.335 769 W C -1.212 175.096 176.519 -0.352 0.000 1.059 769 W CA -0.665 56.502 57.345 -0.298 0.000 1.226 769 W CB 1.676 30.999 29.460 -0.228 0.000 1.416 769 W HN 0.469 nan 8.180 nan 0.000 0.505 770 I N 2.760 123.304 120.570 -0.043 0.000 2.411 770 I HA 0.436 4.613 4.170 0.012 0.000 0.284 770 I C 0.776 176.864 176.117 -0.048 0.000 1.012 770 I CA 0.150 61.382 61.300 -0.114 0.000 1.119 770 I CB 1.202 39.105 38.000 -0.162 0.000 1.261 770 I HN 0.725 nan 8.210 nan 0.000 0.448 771 G N 5.756 114.523 108.800 -0.055 0.000 2.531 771 G HA2 -0.237 3.730 3.960 0.012 0.000 0.274 771 G HA3 -0.237 3.730 3.960 0.012 0.000 0.274 771 G C 0.065 174.966 174.900 0.002 0.000 1.159 771 G CA 0.239 45.316 45.100 -0.038 0.000 0.969 771 G HN 0.621 nan 8.290 nan 0.000 0.554 772 D N 0.854 121.271 120.400 0.028 0.000 2.623 772 D HA 0.267 4.914 4.640 0.012 0.000 0.252 772 D C 0.376 176.817 176.300 0.235 0.000 1.294 772 D CA -0.131 53.916 54.000 0.079 0.000 0.824 772 D CB 0.981 41.764 40.800 -0.027 0.000 1.070 772 D HN 0.275 nan 8.370 nan 0.000 0.487 773 K N 1.678 122.176 120.400 0.163 0.000 2.253 773 K HA 0.184 4.511 4.320 0.012 0.000 0.277 773 K C 0.005 176.581 176.600 -0.039 0.000 1.053 773 K CA -0.441 55.893 56.287 0.077 0.000 0.892 773 K CB 0.801 33.294 32.500 -0.012 0.000 1.102 773 K HN -0.246 nan 8.250 nan 0.000 0.469 774 K N 2.808 123.095 120.400 -0.188 0.000 2.485 774 K HA -0.039 4.288 4.320 0.012 0.000 0.277 774 K C 0.600 176.988 176.600 -0.352 0.000 0.990 774 K CA 0.144 56.078 56.287 -0.588 0.000 0.994 774 K CB 0.613 32.834 32.500 -0.465 0.000 0.906 774 K HN 0.553 nan 8.250 nan 0.000 0.488 775 Q N 1.389 120.954 119.800 -0.391 0.000 2.350 775 Q HA 0.196 4.543 4.340 0.012 0.000 0.225 775 Q C 0.058 175.979 176.000 -0.132 0.000 0.878 775 Q CA 0.453 56.161 55.803 -0.157 0.000 0.935 775 Q CB 0.586 29.275 28.738 -0.082 0.000 1.099 775 Q HN 0.499 nan 8.270 nan 0.000 0.527 776 L N 0.643 121.719 121.223 -0.245 0.000 2.362 776 L HA 0.399 4.746 4.340 0.012 0.000 0.271 776 L C 0.832 177.569 176.870 -0.221 0.000 1.002 776 L CA -0.363 54.354 54.840 -0.204 0.000 0.818 776 L CB 1.801 43.728 42.059 -0.220 0.000 1.298 776 L HN -0.075 nan 8.230 nan 0.000 0.420 777 L N 0.540 121.626 121.223 -0.228 0.000 2.470 777 L HA 0.182 4.529 4.340 0.012 0.000 0.219 777 L C 0.592 177.347 176.870 -0.192 0.000 1.071 777 L CA 0.399 55.113 54.840 -0.210 0.000 0.850 777 L CB 0.490 42.412 42.059 -0.229 0.000 1.040 777 L HN 0.737 nan 8.230 nan 0.000 0.475 778 T N -3.030 111.381 114.554 -0.237 0.000 2.912 778 T HA 0.540 4.897 4.350 0.012 0.000 0.299 778 T C -2.873 171.749 174.700 -0.130 0.000 1.052 778 T CA -2.062 59.945 62.100 -0.155 0.000 0.996 778 T CB 2.336 71.124 68.868 -0.134 0.000 1.070 778 T HN -0.319 nan 8.240 nan 0.000 0.465 779 P HA 0.230 nan 4.420 nan 0.000 0.270 779 P C -0.610 176.644 177.300 -0.076 0.000 1.227 779 P CA -0.727 62.331 63.100 -0.069 0.000 0.788 779 P CB 0.310 31.995 31.700 -0.024 0.000 0.926 780 L N 2.740 123.950 121.223 -0.022 0.000 2.278 780 L HA 0.286 4.633 4.340 0.012 0.000 0.287 780 L C 0.181 176.978 176.870 -0.121 0.000 1.072 780 L CA 0.521 55.379 54.840 0.030 0.000 0.819 780 L CB -0.596 41.594 42.059 0.217 0.000 1.176 780 L HN 0.295 nan 8.230 nan 0.000 0.435 781 R N 2.641 122.984 120.500 -0.263 0.000 2.867 781 R HA 0.474 4.821 4.340 0.012 0.000 0.268 781 R C -1.017 175.144 176.300 -0.232 0.000 1.014 781 R CA -1.075 54.681 56.100 -0.573 0.000 0.946 781 R CB 1.246 31.102 30.300 -0.741 0.000 1.208 781 R HN 0.530 nan 8.270 nan 0.000 0.477 782 D N 1.106 121.442 120.400 -0.107 0.000 2.382 782 D HA 0.057 4.704 4.640 0.012 0.000 0.240 782 D C -0.451 175.503 176.300 -0.576 0.000 1.146 782 D CA 0.311 54.124 54.000 -0.311 0.000 0.897 782 D CB 0.667 41.232 40.800 -0.391 0.000 1.197 782 D HN 0.215 nan 8.370 nan 0.000 0.432 783 Q N 1.046 120.299 119.800 -0.910 0.000 2.285 783 Q HA 0.349 4.696 4.340 0.012 0.000 0.269 783 Q C -1.319 173.953 176.000 -1.213 0.000 1.030 783 Q CA -0.580 54.734 55.803 -0.815 0.000 0.788 783 Q CB 0.796 29.258 28.738 -0.461 0.000 1.266 783 Q HN 0.561 nan 8.270 nan 0.000 0.438 784 F N 0.928 120.468 119.950 -0.684 0.000 2.729 784 F HA 0.202 4.736 4.527 0.012 0.000 0.315 784 F C 0.507 175.836 175.800 -0.784 0.000 1.102 784 F CA -0.188 57.284 58.000 -0.881 0.000 1.204 784 F CB 1.610 39.721 39.000 -1.480 0.000 1.052 784 F HN 0.467 nan 8.300 nan 0.000 0.551 785 T N -0.934 113.293 114.554 -0.545 0.000 2.916 785 T HA 0.748 5.105 4.350 0.012 0.000 0.292 785 T C -0.577 173.863 174.700 -0.434 0.000 1.064 785 T CA -0.983 60.732 62.100 -0.642 0.000 1.011 785 T CB 2.671 71.055 68.868 -0.806 0.000 1.152 785 T HN 0.244 nan 8.240 nan 0.000 0.510 786 R N 0.116 120.398 120.500 -0.362 0.000 2.795 786 R HA 0.777 5.124 4.340 0.012 0.000 0.275 786 R C -0.680 175.681 176.300 0.101 0.000 0.981 786 R CA -1.190 54.840 56.100 -0.117 0.000 0.917 786 R CB 1.585 31.823 30.300 -0.103 0.000 1.202 786 R HN 0.812 nan 8.270 nan 0.000 0.469 787 A N 4.012 126.877 122.820 0.075 0.000 2.476 787 A HA 0.259 4.586 4.320 0.012 0.000 0.275 787 A C -1.947 175.714 177.584 0.128 0.000 1.133 787 A CA -1.295 50.790 52.037 0.079 0.000 0.797 787 A CB -0.473 18.515 19.000 -0.020 0.000 1.081 787 A HN 0.601 nan 8.150 nan 0.000 0.510 788 P HA 0.096 nan 4.420 nan 0.000 0.265 788 P C -0.244 177.175 177.300 0.198 0.000 1.193 788 P CA 0.342 63.614 63.100 0.287 0.000 0.765 788 P CB 0.453 32.352 31.700 0.331 0.000 0.823 789 L N 2.454 123.758 121.223 0.135 0.000 2.466 789 L HA 0.137 4.484 4.340 0.012 0.000 0.257 789 L C 1.923 178.794 176.870 0.002 0.000 1.189 789 L CA -0.441 54.409 54.840 0.016 0.000 0.813 789 L CB -0.140 41.858 42.059 -0.102 0.000 1.118 789 L HN 0.318 nan 8.230 nan 0.000 0.471 790 D N 0.573 120.909 120.400 -0.107 0.000 2.133 790 D HA -0.176 4.471 4.640 0.012 0.000 0.195 790 D C 1.596 177.808 176.300 -0.147 0.000 0.997 790 D CA 1.523 55.374 54.000 -0.248 0.000 0.840 790 D CB 0.017 40.589 40.800 -0.380 0.000 0.947 790 D HN 0.503 nan 8.370 nan 0.000 0.452 791 N N 0.983 119.622 118.700 -0.102 0.000 2.381 791 N HA -0.106 4.641 4.740 0.012 0.000 0.182 791 N C 1.163 176.682 175.510 0.014 0.000 1.025 791 N CA 0.669 53.694 53.050 -0.041 0.000 0.888 791 N CB -0.154 38.302 38.487 -0.052 0.000 0.965 791 N HN 0.264 nan 8.380 nan 0.000 0.438 792 D N 0.512 120.931 120.400 0.031 0.000 2.194 792 D HA 0.060 4.707 4.640 0.012 0.000 0.204 792 D C 2.021 178.353 176.300 0.054 0.000 0.964 792 D CA 0.343 54.387 54.000 0.073 0.000 0.846 792 D CB 0.109 41.019 40.800 0.183 0.000 0.962 792 D HN 0.290 nan 8.370 nan 0.000 0.490 793 I N 0.783 121.375 120.570 0.038 0.000 2.406 793 I HA -0.075 4.102 4.170 0.012 0.000 0.249 793 I C 1.708 177.844 176.117 0.032 0.000 1.122 793 I CA 0.551 61.863 61.300 0.021 0.000 1.431 793 I CB -0.146 37.835 38.000 -0.032 0.000 1.087 793 I HN -0.053 nan 8.210 nan 0.000 0.424 794 A N 0.672 123.527 122.820 0.059 0.000 5.391 794 A HA -0.338 3.989 4.320 0.012 0.000 0.315 794 A C 1.259 178.994 177.584 0.251 0.000 1.874 794 A CA 2.392 54.527 52.037 0.164 0.000 0.714 794 A CB -1.697 17.357 19.000 0.089 0.000 1.335 794 A HN 0.567 nan 8.150 nan 0.000 0.382 795 V N -2.101 117.902 119.914 0.149 0.000 3.577 795 V HA 0.510 4.637 4.120 0.012 0.000 0.294 795 V C 0.934 177.041 176.094 0.022 0.000 1.317 795 V CA 1.064 63.403 62.300 0.065 0.000 1.169 795 V CB -0.606 31.167 31.823 -0.083 0.000 1.011 795 V HN 1.254 nan 8.190 nan 0.000 0.426 796 S N 1.593 117.310 115.700 0.028 0.000 2.572 796 S HA 0.298 4.775 4.470 0.012 0.000 0.279 796 S C 0.023 174.630 174.600 0.012 0.000 1.341 796 S CA -0.029 58.172 58.200 0.003 0.000 1.043 796 S CB 0.281 63.477 63.200 -0.005 0.000 0.887 796 S HN 0.739 nan 8.310 nan 0.000 0.516 797 E N 0.997 121.198 120.200 0.002 0.000 2.393 797 E HA 0.446 4.803 4.350 0.012 0.000 0.273 797 E C 0.405 177.012 176.600 0.011 0.000 0.918 797 E CA -0.682 55.725 56.400 0.011 0.000 0.773 797 E CB 1.662 31.364 29.700 0.002 0.000 1.275 797 E HN 0.551 nan 8.360 nan 0.000 0.451 798 A N 0.818 123.651 122.820 0.020 0.000 1.968 798 A HA -0.135 4.192 4.320 0.012 0.000 0.217 798 A C 1.940 179.531 177.584 0.012 0.000 1.169 798 A CA 2.186 54.234 52.037 0.018 0.000 0.638 798 A CB -0.587 18.429 19.000 0.026 0.000 0.812 798 A HN 0.614 nan 8.150 nan 0.000 0.446 799 T N -2.568 111.993 114.554 0.012 0.000 3.072 799 T HA 0.020 4.377 4.350 0.012 0.000 0.266 799 T C 0.830 175.526 174.700 -0.007 0.000 1.127 799 T CA 0.957 63.060 62.100 0.005 0.000 1.107 799 T CB -0.182 68.691 68.868 0.008 0.000 0.910 799 T HN 0.367 nan 8.240 nan 0.000 0.513 800 R N 0.642 121.136 120.500 -0.011 0.000 3.101 800 R HA 0.319 4.666 4.340 0.012 0.000 0.242 800 R C -1.438 174.848 176.300 -0.023 0.000 1.831 800 R CA -0.645 55.442 56.100 -0.023 0.000 1.321 800 R CB 0.234 30.513 30.300 -0.035 0.000 1.512 800 R HN 0.195 nan 8.270 nan 0.000 0.568 801 I N 2.070 122.628 120.570 -0.020 0.000 2.648 801 I HA -0.002 4.175 4.170 0.012 0.000 0.284 801 I C 0.316 176.412 176.117 -0.035 0.000 1.153 801 I CA -0.003 61.284 61.300 -0.022 0.000 1.426 801 I CB 0.840 38.831 38.000 -0.017 0.000 1.381 801 I HN 0.482 nan 8.210 nan 0.000 0.571 802 D N 9.275 129.651 120.400 -0.040 0.000 2.454 802 D HA 0.304 4.951 4.640 0.012 0.000 0.225 802 D C -1.760 174.495 176.300 -0.076 0.000 1.081 802 D CA -2.160 51.807 54.000 -0.055 0.000 0.864 802 D CB 1.559 42.328 40.800 -0.051 0.000 1.040 802 D HN 0.213 nan 8.370 nan 0.000 0.517 803 P HA -0.083 nan 4.420 nan 0.000 0.228 803 P C 0.653 177.860 177.300 -0.155 0.000 1.151 803 P CA 0.552 63.592 63.100 -0.101 0.000 0.770 803 P CB 0.445 32.095 31.700 -0.083 0.000 0.786 804 N N -0.245 118.355 118.700 -0.166 0.000 2.325 804 N HA 0.109 4.856 4.740 0.012 0.000 0.182 804 N C 0.390 175.702 175.510 -0.330 0.000 1.088 804 N CA -0.106 52.798 53.050 -0.243 0.000 0.879 804 N CB -0.259 38.116 38.487 -0.186 0.000 0.983 804 N HN -0.057 nan 8.380 nan 0.000 0.471 805 A N -0.389 122.286 122.820 -0.241 0.000 2.445 805 A HA 0.111 4.438 4.320 0.012 0.000 0.242 805 A C 0.717 178.081 177.584 -0.367 0.000 1.075 805 A CA -0.327 51.568 52.037 -0.236 0.000 0.777 805 A CB -0.102 18.832 19.000 -0.109 0.000 1.013 805 A HN 0.476 nan 8.150 nan 0.000 0.493 806 W N 1.549 122.599 121.300 -0.416 0.000 2.317 806 W HA -0.185 4.482 4.660 0.011 0.000 0.318 806 W C 2.253 178.204 176.519 -0.947 0.000 1.227 806 W CA 1.813 58.638 57.345 -0.867 0.000 1.269 806 W CB -0.609 28.178 29.460 -1.121 0.000 1.155 806 W HN 0.540 nan 8.180 nan 0.000 0.484 807 V N 0.933 120.712 119.914 -0.225 0.000 2.324 807 V HA -0.289 3.838 4.120 0.012 0.000 0.250 807 V C 2.182 178.346 176.094 0.116 0.000 1.060 807 V CA 2.231 64.612 62.300 0.136 0.000 1.042 807 V CB -0.368 31.566 31.823 0.186 0.000 0.650 807 V HN 0.114 nan 8.190 nan 0.000 0.450 808 E N -0.274 119.906 120.200 -0.033 0.000 2.107 808 E HA -0.145 4.212 4.350 0.012 0.000 0.191 808 E C 2.360 178.922 176.600 -0.064 0.000 0.982 808 E CA 0.940 57.322 56.400 -0.031 0.000 0.809 808 E CB -0.294 29.365 29.700 -0.067 0.000 0.756 808 E HN 0.616 nan 8.360 nan 0.000 0.459 809 R N -0.121 120.263 120.500 -0.193 0.000 2.075 809 R HA -0.101 4.246 4.340 0.012 0.000 0.232 809 R C 2.277 178.521 176.300 -0.092 0.000 1.126 809 R CA 1.137 57.105 56.100 -0.220 0.000 0.963 809 R CB -0.172 29.864 30.300 -0.440 0.000 0.858 809 R HN 0.255 nan 8.270 nan 0.000 0.435 810 W N 1.538 122.802 121.300 -0.060 0.000 2.358 810 W HA -0.083 4.584 4.660 0.012 0.000 0.303 810 W C 1.974 178.455 176.519 -0.063 0.000 1.208 810 W CA 0.660 57.867 57.345 -0.230 0.000 1.274 810 W CB -0.655 28.836 29.460 0.051 0.000 1.138 810 W HN 0.105 nan 8.180 nan 0.000 0.515 811 K N 0.200 120.814 120.400 0.355 0.000 2.009 811 K HA -0.130 4.197 4.320 0.012 0.000 0.210 811 K C 2.317 178.971 176.600 0.090 0.000 1.049 811 K CA 2.047 58.493 56.287 0.264 0.000 0.929 811 K CB -0.648 31.950 32.500 0.163 0.000 0.714 811 K HN -0.019 nan 8.250 nan 0.000 0.440 812 A N 1.048 123.890 122.820 0.037 0.000 1.933 812 A HA -0.109 4.218 4.320 0.012 0.000 0.218 812 A C 2.207 179.767 177.584 -0.040 0.000 1.175 812 A CA 1.870 53.907 52.037 -0.001 0.000 0.628 812 A CB -0.609 18.381 19.000 -0.018 0.000 0.814 812 A HN 0.361 nan 8.150 nan 0.000 0.444 813 A N -2.053 120.724 122.820 -0.072 0.000 2.206 813 A HA 0.398 4.725 4.320 0.012 0.000 0.211 813 A C 1.822 179.305 177.584 -0.168 0.000 1.158 813 A CA 1.270 53.264 52.037 -0.071 0.000 0.761 813 A CB -0.824 18.121 19.000 -0.091 0.000 0.801 813 A HN 1.891 nan 8.150 nan 0.000 0.473 814 G N -1.717 106.906 108.800 -0.295 0.000 2.157 814 G HA2 -0.294 3.673 3.960 0.012 0.000 0.239 814 G HA3 -0.294 3.673 3.960 0.012 0.000 0.239 814 G C 0.615 175.537 174.900 0.037 0.000 0.982 814 G CA 0.626 45.387 45.100 -0.565 0.000 0.650 814 G HN 0.731 nan 8.290 nan 0.000 0.527 815 H N -1.375 117.695 119.070 0.000 0.000 2.387 815 H HA -0.103 4.460 4.556 0.012 0.000 0.299 815 H C 2.226 177.540 175.328 -0.024 0.000 1.099 815 H CA 1.614 57.678 56.048 0.026 0.000 1.315 815 H CB 0.065 29.772 29.762 -0.091 0.000 1.380 815 H HN 0.598 nan 8.280 nan 0.000 0.513 816 Y N 1.041 121.475 120.300 0.222 0.000 2.457 816 Y HA -0.108 4.449 4.550 0.011 0.000 0.292 816 Y C 2.255 178.249 175.900 0.157 0.000 1.125 816 Y CA 0.715 58.905 58.100 0.151 0.000 1.254 816 Y CB 0.368 38.900 38.460 0.119 0.000 1.012 816 Y HN 0.351 nan 8.280 nan 0.000 0.555 817 Q N -0.330 119.651 119.800 0.302 0.000 2.194 817 Q HA 0.394 4.741 4.340 0.012 0.000 0.214 817 Q C 0.373 176.572 176.000 0.331 0.000 0.838 817 Q CA -0.078 55.898 55.803 0.287 0.000 0.972 817 Q CB 0.375 29.274 28.738 0.269 0.000 1.131 817 Q HN 0.178 nan 8.270 nan 0.000 0.498 818 A N 1.581 124.620 122.820 0.365 0.000 2.462 818 A HA 0.229 4.556 4.320 0.012 0.000 0.243 818 A C -0.079 177.794 177.584 0.482 0.000 1.076 818 A CA -0.011 52.288 52.037 0.436 0.000 0.773 818 A CB 0.418 19.695 19.000 0.462 0.000 1.010 818 A HN 0.179 nan 8.150 nan 0.000 0.493 819 E N 0.632 121.036 120.200 0.340 0.000 2.179 819 E HA 0.504 4.861 4.350 0.012 0.000 0.275 819 E C -0.145 176.407 176.600 -0.080 0.000 0.945 819 E CA -0.323 56.193 56.400 0.193 0.000 0.792 819 E CB 1.842 31.617 29.700 0.126 0.000 1.125 819 E HN 0.738 nan 8.360 nan 0.000 0.397 820 A N 2.298 124.935 122.820 -0.305 0.000 2.454 820 A HA 0.493 4.820 4.320 0.012 0.000 0.260 820 A C 0.021 177.455 177.584 -0.251 0.000 1.106 820 A CA 0.004 51.594 52.037 -0.746 0.000 0.780 820 A CB 0.123 18.744 19.000 -0.632 0.000 1.044 820 A HN 0.513 nan 8.150 nan 0.000 0.498 821 A N 2.816 125.491 122.820 -0.242 0.000 2.304 821 A HA 0.586 4.913 4.320 0.012 0.000 0.323 821 A C -0.369 177.143 177.584 -0.121 0.000 1.195 821 A CA -0.554 51.419 52.037 -0.108 0.000 0.826 821 A CB 0.474 19.431 19.000 -0.072 0.000 1.184 821 A HN 1.165 nan 8.150 nan 0.000 0.496 822 L N 3.061 124.200 121.223 -0.140 0.000 2.319 822 L HA 0.363 4.710 4.340 0.012 0.000 0.280 822 L C 0.382 177.120 176.870 -0.220 0.000 1.099 822 L CA 0.317 54.972 54.840 -0.308 0.000 0.828 822 L CB 0.401 42.299 42.059 -0.270 0.000 1.150 822 L HN 0.774 nan 8.230 nan 0.000 0.442 823 L N 3.396 124.473 121.223 -0.242 0.000 2.609 823 L HA 0.352 4.699 4.340 0.012 0.000 0.230 823 L C 0.297 177.100 176.870 -0.111 0.000 1.064 823 L CA 0.003 54.769 54.840 -0.124 0.000 0.873 823 L CB 0.199 42.216 42.059 -0.070 0.000 1.139 823 L HN 0.715 nan 8.230 nan 0.000 0.490 824 Q N -0.268 119.438 119.800 -0.158 0.000 2.438 824 Q HA 0.326 4.673 4.340 0.012 0.000 0.272 824 Q C -2.061 173.884 176.000 -0.091 0.000 0.994 824 Q CA -0.521 55.227 55.803 -0.091 0.000 0.887 824 Q CB 2.970 31.679 28.738 -0.050 0.000 1.432 824 Q HN 0.053 nan 8.270 nan 0.000 0.392 825 C N 3.209 122.498 119.300 -0.018 0.000 2.789 825 C HA 0.787 5.254 4.460 0.012 0.000 0.367 825 C C -0.899 174.206 174.990 0.191 0.000 1.062 825 C CA 0.424 59.476 59.018 0.056 0.000 1.297 825 C CB 0.543 28.297 27.740 0.023 0.000 1.794 825 C HN 0.826 nan 8.230 nan 0.000 0.474 826 T N 2.564 117.195 114.554 0.128 0.000 2.916 826 T HA 0.905 5.262 4.350 0.012 0.000 0.292 826 T C -0.472 174.051 174.700 -0.295 0.000 1.055 826 T CA -0.318 61.806 62.100 0.040 0.000 1.009 826 T CB 1.939 70.794 68.868 -0.022 0.000 1.118 826 T HN 1.699 nan 8.240 nan 0.000 0.497 827 A N 1.539 123.973 122.820 -0.643 0.000 2.371 827 A HA 0.758 5.085 4.320 0.012 0.000 0.311 827 A C -1.146 176.157 177.584 -0.469 0.000 1.068 827 A CA -0.739 50.766 52.037 -0.887 0.000 0.744 827 A CB 1.217 19.136 19.000 -1.801 0.000 1.239 827 A HN 0.885 nan 8.150 nan 0.000 0.435 828 D N 0.728 120.924 120.400 -0.339 0.000 2.732 828 D HA 0.432 5.079 4.640 0.012 0.000 0.229 828 D C -1.160 175.029 176.300 -0.185 0.000 1.152 828 D CA -0.093 53.779 54.000 -0.213 0.000 0.854 828 D CB 2.395 43.106 40.800 -0.147 0.000 1.590 828 D HN 0.350 nan 8.370 nan 0.000 0.468 829 T N 1.997 116.466 114.554 -0.142 0.000 2.770 829 T HA 0.416 4.773 4.350 0.012 0.000 0.297 829 T C 0.499 175.147 174.700 -0.088 0.000 0.997 829 T CA -0.411 61.619 62.100 -0.117 0.000 0.949 829 T CB 0.256 69.057 68.868 -0.112 0.000 0.941 829 T HN 0.108 nan 8.240 nan 0.000 0.457 830 L N 2.027 123.202 121.223 -0.079 0.000 2.569 830 L HA 0.572 4.918 4.340 0.012 0.000 0.247 830 L C 2.075 178.918 176.870 -0.044 0.000 1.135 830 L CA -1.013 53.793 54.840 -0.058 0.000 0.812 830 L CB 0.026 42.053 42.059 -0.053 0.000 1.431 830 L HN 0.608 nan 8.230 nan 0.000 0.499 831 A N 0.503 123.304 122.820 -0.031 0.000 1.877 831 A HA -0.155 4.172 4.320 0.012 0.000 0.216 831 A C 1.151 178.727 177.584 -0.014 0.000 1.186 831 A CA 1.923 53.948 52.037 -0.020 0.000 0.620 831 A CB -0.458 18.535 19.000 -0.011 0.000 0.822 831 A HN 0.904 nan 8.150 nan 0.000 0.443 832 D N -2.211 118.179 120.400 -0.016 0.000 2.599 832 D HA 0.558 5.205 4.640 0.012 0.000 0.249 832 D C -0.018 176.268 176.300 -0.023 0.000 1.313 832 D CA 0.667 54.661 54.000 -0.010 0.000 0.815 832 D CB -0.100 40.697 40.800 -0.005 0.000 1.077 832 D HN 0.476 nan 8.370 nan 0.000 0.492 833 A N -0.618 122.178 122.820 -0.040 0.000 2.564 833 A HA 0.609 4.936 4.320 0.012 0.000 0.291 833 A C -1.759 175.773 177.584 -0.087 0.000 1.102 833 A CA -0.704 51.294 52.037 -0.065 0.000 0.660 833 A CB 1.470 20.431 19.000 -0.066 0.000 1.283 833 A HN 0.000 nan 8.150 nan 0.000 0.430 834 V N 0.668 120.508 119.914 -0.123 0.000 2.459 834 V HA 0.629 4.756 4.120 0.012 0.000 0.295 834 V C -0.908 175.078 176.094 -0.181 0.000 1.029 834 V CA -0.435 61.772 62.300 -0.156 0.000 0.874 834 V CB 1.375 33.102 31.823 -0.160 0.000 0.985 834 V HN 0.873 nan 8.190 nan 0.000 0.438 835 L N 6.503 127.612 121.223 -0.189 0.000 2.325 835 L HA 0.646 4.993 4.340 0.012 0.000 0.281 835 L C -0.846 175.877 176.870 -0.244 0.000 1.004 835 L CA 0.056 54.795 54.840 -0.169 0.000 0.823 835 L CB 1.222 43.213 42.059 -0.115 0.000 1.236 835 L HN 0.413 nan 8.230 nan 0.000 0.415 836 I N 4.219 124.643 120.570 -0.244 0.000 2.377 836 I HA 0.417 4.594 4.170 0.012 0.000 0.293 836 I C -0.135 175.949 176.117 -0.055 0.000 0.987 836 I CA -0.231 60.871 61.300 -0.329 0.000 1.185 836 I CB 1.639 39.171 38.000 -0.779 0.000 1.341 836 I HN 0.579 nan 8.210 nan 0.000 0.455 837 T N 4.806 119.334 114.554 -0.043 0.000 2.807 837 T HA 0.643 5.000 4.350 0.012 0.000 0.279 837 T C 0.175 174.923 174.700 0.079 0.000 0.993 837 T CA -0.533 61.593 62.100 0.043 0.000 0.970 837 T CB 1.836 70.703 68.868 -0.001 0.000 0.950 837 T HN 0.782 nan 8.240 nan 0.000 0.441 838 T N -0.577 114.062 114.554 0.142 0.000 2.883 838 T HA 0.885 5.242 4.350 0.012 0.000 0.296 838 T C -1.237 173.510 174.700 0.079 0.000 1.117 838 T CA -1.067 61.087 62.100 0.090 0.000 1.006 838 T CB 2.025 71.001 68.868 0.181 0.000 1.191 838 T HN 0.809 nan 8.240 nan 0.000 0.508 839 A N 1.180 123.969 122.820 -0.052 0.000 2.488 839 A HA 0.767 5.094 4.320 0.012 0.000 0.298 839 A C -1.504 175.981 177.584 -0.166 0.000 1.044 839 A CA -0.773 51.276 52.037 0.020 0.000 0.693 839 A CB 0.960 19.976 19.000 0.027 0.000 1.272 839 A HN 1.008 nan 8.150 nan 0.000 0.402 840 H N -0.007 119.110 119.070 0.078 0.000 2.821 840 H HA 0.763 5.326 4.556 0.012 0.000 0.373 840 H C -0.030 175.303 175.328 0.010 0.000 1.165 840 H CA 0.271 56.271 56.048 -0.081 0.000 1.154 840 H CB 2.150 31.741 29.762 -0.285 0.000 1.765 840 H HN 0.986 nan 8.280 nan 0.000 0.549 841 A N 1.982 124.815 122.820 0.021 0.000 2.318 841 A HA 0.369 4.696 4.320 0.012 0.000 0.324 841 A C -1.161 176.448 177.584 0.041 0.000 1.170 841 A CA -0.689 51.425 52.037 0.128 0.000 0.810 841 A CB 0.833 19.884 19.000 0.086 0.000 1.198 841 A HN 0.586 nan 8.150 nan 0.000 0.484 842 W N 1.952 123.362 121.300 0.183 0.000 2.335 842 W HA 0.455 5.122 4.660 0.012 0.000 0.307 842 W C 0.077 176.620 176.519 0.040 0.000 1.117 842 W CA -0.068 57.382 57.345 0.175 0.000 1.228 842 W CB 1.567 31.201 29.460 0.291 0.000 1.240 842 W HN 0.816 nan 8.180 nan 0.000 0.468 843 Q N 0.911 120.855 119.800 0.240 0.000 2.528 843 Q HA 0.362 4.709 4.340 0.012 0.000 0.289 843 Q C -1.198 174.932 176.000 0.216 0.000 1.091 843 Q CA -0.624 55.268 55.803 0.149 0.000 0.797 843 Q CB 2.955 31.742 28.738 0.082 0.000 1.466 843 Q HN 0.457 nan 8.270 nan 0.000 0.436 844 H N 2.158 121.264 119.070 0.061 0.000 3.224 844 H HA 0.106 4.669 4.556 0.012 0.000 0.331 844 H C -1.112 174.249 175.328 0.055 0.000 1.002 844 H CA -0.015 56.079 56.048 0.077 0.000 1.473 844 H CB 0.904 30.724 29.762 0.098 0.000 1.830 844 H HN 0.831 nan 8.280 nan 0.000 0.485 845 Q N 3.369 122.904 119.800 -0.440 0.000 2.451 845 Q HA -0.241 4.106 4.340 0.012 0.000 0.305 845 Q C 0.911 176.850 176.000 -0.101 0.000 1.345 845 Q CA 1.328 56.948 55.803 -0.305 0.000 0.854 845 Q CB -1.579 26.917 28.738 -0.402 0.000 1.162 845 Q HN 1.184 nan 8.270 nan 0.000 0.440 846 G N -0.450 108.320 108.800 -0.049 0.000 2.279 846 G HA2 -0.326 3.641 3.960 0.012 0.000 0.223 846 G HA3 -0.326 3.641 3.960 0.012 0.000 0.223 846 G C 0.073 174.978 174.900 0.009 0.000 1.015 846 G CA 0.338 45.430 45.100 -0.013 0.000 0.621 846 G HN 0.328 nan 8.290 nan 0.000 0.506 847 K N 1.886 122.301 120.400 0.025 0.000 2.213 847 K HA 0.649 4.976 4.320 0.012 0.000 0.270 847 K C -0.172 176.445 176.600 0.027 0.000 1.002 847 K CA -0.061 56.246 56.287 0.033 0.000 0.868 847 K CB 1.047 33.575 32.500 0.047 0.000 1.093 847 K HN 0.018 nan 8.250 nan 0.000 0.454 848 T N 6.208 120.767 114.554 0.009 0.000 2.727 848 T HA 0.191 4.548 4.350 0.012 0.000 0.295 848 T C 1.077 175.721 174.700 -0.092 0.000 0.915 848 T CA -0.269 61.831 62.100 0.001 0.000 1.066 848 T CB 0.237 69.125 68.868 0.033 0.000 0.891 848 T HN 0.541 nan 8.240 nan 0.000 0.516 849 L N 2.598 123.678 121.223 -0.238 0.000 2.145 849 L HA 0.343 4.690 4.340 0.012 0.000 0.201 849 L C -0.025 176.381 176.870 -0.773 0.000 1.075 849 L CA 0.878 55.310 54.840 -0.680 0.000 0.773 849 L CB 0.081 41.325 42.059 -1.357 0.000 0.936 849 L HN 0.523 nan 8.230 nan 0.000 0.451 850 F N -1.102 118.798 119.950 -0.082 0.000 2.601 850 F HA 0.555 5.089 4.527 0.011 0.000 0.309 850 F C -0.504 175.377 175.800 0.135 0.000 1.089 850 F CA -0.814 57.067 58.000 -0.199 0.000 0.940 850 F CB 1.986 40.441 39.000 -0.908 0.000 1.273 850 F HN -0.327 nan 8.300 nan 0.000 0.450 851 I N 1.570 122.349 120.570 0.348 0.000 2.465 851 I HA 0.375 4.552 4.170 0.012 0.000 0.291 851 I C -0.746 175.638 176.117 0.445 0.000 1.014 851 I CA -0.570 60.971 61.300 0.402 0.000 1.093 851 I CB 2.220 40.370 38.000 0.250 0.000 1.267 851 I HN 0.540 nan 8.210 nan 0.000 0.431 852 S N 6.751 122.819 115.700 0.614 0.000 2.498 852 S HA 0.565 5.042 4.470 0.012 0.000 0.317 852 S C -0.675 174.171 174.600 0.410 0.000 1.090 852 S CA -0.680 57.853 58.200 0.556 0.000 1.089 852 S CB 0.618 64.275 63.200 0.761 0.000 0.997 852 S HN 0.546 nan 8.310 nan 0.000 0.470 853 R N 3.601 124.264 120.500 0.271 0.000 2.437 853 R HA 0.561 4.908 4.340 0.012 0.000 0.310 853 R C -0.726 175.652 176.300 0.131 0.000 0.955 853 R CA -0.728 55.484 56.100 0.188 0.000 0.851 853 R CB 1.785 32.171 30.300 0.142 0.000 1.161 853 R HN 0.560 nan 8.270 nan 0.000 0.446 854 K N 0.744 121.216 120.400 0.119 0.000 2.480 854 K HA 0.472 4.799 4.320 0.012 0.000 0.258 854 K C -0.793 175.798 176.600 -0.016 0.000 0.990 854 K CA -0.914 55.370 56.287 -0.005 0.000 0.857 854 K CB 2.569 35.034 32.500 -0.058 0.000 1.384 854 K HN 0.616 nan 8.250 nan 0.000 0.446 855 T N -1.472 112.999 114.554 -0.139 0.000 2.893 855 T HA 0.575 4.932 4.350 0.012 0.000 0.293 855 T C -1.295 173.281 174.700 -0.208 0.000 1.027 855 T CA -0.761 61.300 62.100 -0.066 0.000 0.988 855 T CB 0.551 69.406 68.868 -0.021 0.000 1.043 855 T HN 0.397 nan 8.240 nan 0.000 0.461 856 Y N 0.695 120.987 120.300 -0.014 0.000 2.326 856 Y HA 0.610 5.167 4.550 0.012 0.000 0.329 856 Y C 0.417 176.260 175.900 -0.096 0.000 0.973 856 Y CA -1.116 56.986 58.100 0.004 0.000 1.162 856 Y CB 1.822 40.336 38.460 0.090 0.000 1.147 856 Y HN 0.635 nan 8.280 nan 0.000 0.456 857 R N 3.932 124.465 120.500 0.056 0.000 2.288 857 R HA 0.644 4.991 4.340 0.012 0.000 0.326 857 R C -1.702 174.545 176.300 -0.090 0.000 0.959 857 R CA -0.688 55.391 56.100 -0.035 0.000 0.834 857 R CB 0.543 30.830 30.300 -0.021 0.000 1.157 857 R HN 0.718 nan 8.270 nan 0.000 0.470 858 I N 4.909 125.364 120.570 -0.192 0.000 2.330 858 I HA 0.160 4.337 4.170 0.012 0.000 0.289 858 I C -0.086 175.897 176.117 -0.223 0.000 1.001 858 I CA -0.427 60.673 61.300 -0.333 0.000 1.193 858 I CB 1.426 39.015 38.000 -0.685 0.000 1.345 858 I HN 0.630 nan 8.210 nan 0.000 0.461 859 D N 4.079 124.392 120.400 -0.146 0.000 2.487 859 D HA 0.293 4.940 4.640 0.012 0.000 0.262 859 D C 1.319 177.592 176.300 -0.044 0.000 1.130 859 D CA -0.738 53.217 54.000 -0.075 0.000 1.038 859 D CB 0.780 41.557 40.800 -0.037 0.000 1.142 859 D HN 0.455 nan 8.370 nan 0.000 0.575 860 G N -1.472 107.314 108.800 -0.023 0.000 2.625 860 G HA2 -0.115 3.852 3.960 0.012 0.000 0.214 860 G HA3 -0.115 3.852 3.960 0.012 0.000 0.214 860 G C 1.017 175.906 174.900 -0.019 0.000 1.132 860 G CA 0.858 45.950 45.100 -0.012 0.000 0.782 860 G HN 0.518 nan 8.290 nan 0.000 0.538 861 S N -1.381 114.314 115.700 -0.008 0.000 2.556 861 S HA 0.401 4.878 4.470 0.012 0.000 0.216 861 S C 1.725 176.360 174.600 0.058 0.000 0.970 861 S CA 0.813 59.014 58.200 0.000 0.000 0.912 861 S CB 0.273 63.477 63.200 0.006 0.000 0.790 861 S HN 1.324 nan 8.310 nan 0.000 0.504 862 G N 0.766 109.622 108.800 0.095 0.000 2.176 862 G HA2 -0.208 3.759 3.960 0.012 0.000 0.232 862 G HA3 -0.208 3.759 3.960 0.012 0.000 0.232 862 G C -0.188 174.851 174.900 0.232 0.000 0.986 862 G CA -0.164 45.072 45.100 0.227 0.000 0.643 862 G HN 0.572 nan 8.290 nan 0.000 0.522 863 Q N -0.272 119.596 119.800 0.114 0.000 2.259 863 Q HA 0.651 4.998 4.340 0.012 0.000 0.246 863 Q C 0.100 176.131 176.000 0.053 0.000 0.920 863 Q CA -0.214 55.663 55.803 0.123 0.000 0.895 863 Q CB 1.655 30.453 28.738 0.100 0.000 1.220 863 Q HN 0.447 nan 8.270 nan 0.000 0.439 864 M N 1.617 121.295 119.600 0.131 0.000 2.134 864 M HA 0.516 5.003 4.480 0.012 0.000 0.310 864 M C -1.560 174.845 176.300 0.175 0.000 0.966 864 M CA -0.497 54.852 55.300 0.082 0.000 0.922 864 M CB 1.300 33.969 32.600 0.115 0.000 1.537 864 M HN 0.706 nan 8.290 nan 0.000 0.424 865 A N 6.851 129.737 122.820 0.110 0.000 2.274 865 A HA 0.711 5.038 4.320 0.012 0.000 0.309 865 A C -0.811 176.819 177.584 0.077 0.000 1.226 865 A CA -0.636 51.467 52.037 0.110 0.000 0.853 865 A CB 0.218 19.260 19.000 0.069 0.000 1.146 865 A HN 0.917 nan 8.150 nan 0.000 0.518 866 I N 2.305 122.909 120.570 0.058 0.000 2.378 866 I HA 0.344 4.521 4.170 0.012 0.000 0.291 866 I C -0.230 175.788 176.117 -0.165 0.000 0.992 866 I CA -0.259 60.972 61.300 -0.114 0.000 1.154 866 I CB 2.095 40.041 38.000 -0.090 0.000 1.315 866 I HN 0.486 nan 8.210 nan 0.000 0.448 867 T N 5.732 120.149 114.554 -0.229 0.000 2.792 867 T HA 0.553 4.910 4.350 0.012 0.000 0.280 867 T C -0.291 174.224 174.700 -0.309 0.000 0.990 867 T CA -0.473 61.497 62.100 -0.217 0.000 0.960 867 T CB 1.872 70.709 68.868 -0.052 0.000 0.939 867 T HN 0.224 nan 8.240 nan 0.000 0.439 868 V N 3.623 123.229 119.914 -0.513 0.000 2.588 868 V HA 0.501 4.628 4.120 0.012 0.000 0.304 868 V C -0.746 175.185 176.094 -0.271 0.000 1.042 868 V CA -0.915 61.116 62.300 -0.449 0.000 0.877 868 V CB 2.091 33.365 31.823 -0.916 0.000 0.996 868 V HN 0.855 nan 8.190 nan 0.000 0.425 869 D N 3.324 123.727 120.400 0.006 0.000 2.549 869 D HA 0.521 5.168 4.640 0.012 0.000 0.251 869 D C -1.077 175.348 176.300 0.209 0.000 1.153 869 D CA -0.110 53.986 54.000 0.161 0.000 0.861 869 D CB 2.765 43.685 40.800 0.200 0.000 1.207 869 D HN 0.255 nan 8.370 nan 0.000 0.543 870 V N 2.271 122.345 119.914 0.267 0.000 2.628 870 V HA 0.304 4.431 4.120 0.012 0.000 0.306 870 V C 0.019 176.261 176.094 0.247 0.000 1.045 870 V CA -0.748 61.726 62.300 0.290 0.000 0.905 870 V CB 2.468 34.506 31.823 0.358 0.000 0.997 870 V HN 0.361 nan 8.190 nan 0.000 0.436 871 E N 2.560 122.891 120.200 0.217 0.000 2.183 871 E HA 0.639 4.996 4.350 0.012 0.000 0.271 871 E C -1.491 175.222 176.600 0.188 0.000 0.919 871 E CA -0.648 55.857 56.400 0.176 0.000 0.781 871 E CB 2.601 32.385 29.700 0.139 0.000 1.140 871 E HN 0.389 nan 8.360 nan 0.000 0.402 872 V N 2.110 122.139 119.914 0.192 0.000 2.444 872 V HA 0.369 4.496 4.120 0.012 0.000 0.294 872 V C 0.090 176.274 176.094 0.150 0.000 1.022 872 V CA -0.926 61.506 62.300 0.220 0.000 0.850 872 V CB 1.483 33.477 31.823 0.285 0.000 0.992 872 V HN 0.850 nan 8.190 nan 0.000 0.426 873 A N 3.576 126.440 122.820 0.073 0.000 2.567 873 A HA 0.257 4.584 4.320 0.012 0.000 0.240 873 A C 1.592 179.242 177.584 0.110 0.000 1.053 873 A CA 0.634 52.705 52.037 0.057 0.000 0.755 873 A CB 0.221 19.220 19.000 -0.003 0.000 0.978 873 A HN 1.343 nan 8.150 nan 0.000 0.507 874 S N 1.200 116.963 115.700 0.105 0.000 2.447 874 S HA -0.144 4.333 4.470 0.012 0.000 0.233 874 S C 0.887 175.563 174.600 0.128 0.000 1.006 874 S CA 1.222 59.505 58.200 0.138 0.000 0.957 874 S CB -0.256 63.007 63.200 0.105 0.000 0.773 874 S HN 0.828 nan 8.310 nan 0.000 0.507 875 D N 0.306 120.755 120.400 0.081 0.000 2.339 875 D HA 0.129 4.776 4.640 0.012 0.000 0.217 875 D C 0.529 176.858 176.300 0.048 0.000 1.050 875 D CA 0.051 54.082 54.000 0.051 0.000 0.856 875 D CB -0.447 40.372 40.800 0.032 0.000 0.922 875 D HN 0.293 nan 8.370 nan 0.000 0.518 876 T N 1.577 116.184 114.554 0.088 0.000 2.922 876 T HA 0.377 4.734 4.350 0.012 0.000 0.285 876 T C -2.567 172.230 174.700 0.162 0.000 1.005 876 T CA -1.893 60.281 62.100 0.124 0.000 1.061 876 T CB 1.163 70.114 68.868 0.138 0.000 1.007 876 T HN -0.123 nan 8.240 nan 0.000 0.502 877 P HA 0.084 nan 4.420 nan 0.000 0.266 877 P C -0.586 177.018 177.300 0.506 0.000 1.195 877 P CA 0.060 63.258 63.100 0.163 0.000 0.768 877 P CB -0.018 31.756 31.700 0.123 0.000 0.838 878 H N 3.427 122.865 119.070 0.614 0.000 3.094 878 H HA 0.059 4.622 4.556 0.011 0.000 0.320 878 H C -1.557 174.133 175.328 0.603 0.000 1.000 878 H CA -1.212 55.145 56.048 0.515 0.000 1.413 878 H CB -0.413 29.595 29.762 0.410 0.000 1.405 878 H HN 0.382 nan 8.280 nan 0.000 0.586 879 P HA 0.028 nan 4.420 nan 0.000 0.276 879 P C 0.119 177.319 177.300 -0.167 0.000 1.244 879 P CA -0.323 62.835 63.100 0.097 0.000 0.801 879 P CB 1.198 32.806 31.700 -0.154 0.000 1.006 880 A N 3.262 125.705 122.820 -0.629 0.000 1.972 880 A HA -0.117 4.210 4.320 0.012 0.000 0.219 880 A C 1.049 178.247 177.584 -0.644 0.000 1.169 880 A CA 1.390 53.025 52.037 -0.669 0.000 0.635 880 A CB -0.553 17.827 19.000 -1.034 0.000 0.810 880 A HN 0.755 nan 8.150 nan 0.000 0.446 881 R N -2.928 117.228 120.500 -0.573 0.000 2.728 881 R HA 0.744 5.091 4.340 0.012 0.000 0.274 881 R C -1.630 174.418 176.300 -0.421 0.000 1.030 881 R CA -0.817 54.967 56.100 -0.526 0.000 0.876 881 R CB 0.875 30.846 30.300 -0.549 0.000 1.259 881 R HN -0.001 nan 8.270 nan 0.000 0.468 882 I N 1.013 121.365 120.570 -0.362 0.000 2.517 882 I HA 0.656 4.833 4.170 0.012 0.000 0.280 882 I C -0.462 175.392 176.117 -0.438 0.000 1.061 882 I CA -0.399 60.700 61.300 -0.335 0.000 1.091 882 I CB 1.873 39.756 38.000 -0.195 0.000 1.205 882 I HN 0.972 nan 8.210 nan 0.000 0.459 883 G N 5.949 114.434 108.800 -0.525 0.000 2.634 883 G HA2 0.739 4.706 3.960 0.012 0.000 0.309 883 G HA3 0.739 4.706 3.960 0.012 0.000 0.309 883 G C -1.754 172.963 174.900 -0.304 0.000 1.299 883 G CA -0.576 44.263 45.100 -0.435 0.000 0.798 883 G HN 0.287 nan 8.290 nan 0.000 0.490 884 L N 0.715 121.816 121.223 -0.202 0.000 2.333 884 L HA 0.665 5.012 4.340 0.012 0.000 0.263 884 L C -0.728 176.036 176.870 -0.177 0.000 1.014 884 L CA -1.161 53.593 54.840 -0.142 0.000 0.820 884 L CB 2.524 44.581 42.059 -0.004 0.000 1.352 884 L HN 0.821 nan 8.230 nan 0.000 0.421 885 N N 0.519 119.143 118.700 -0.126 0.000 2.610 885 N HA 0.708 5.455 4.740 0.012 0.000 0.264 885 N C -1.265 174.248 175.510 0.005 0.000 1.348 885 N CA -0.556 52.453 53.050 -0.069 0.000 0.819 885 N CB 2.321 40.782 38.487 -0.044 0.000 1.521 885 N HN 0.858 nan 8.380 nan 0.000 0.497 886 C N -1.540 117.786 119.300 0.043 0.000 3.303 886 C HA 0.555 5.022 4.460 0.012 0.000 0.340 886 C C -1.251 173.561 174.990 -0.297 0.000 1.274 886 C CA -0.856 58.134 59.018 -0.046 0.000 1.234 886 C CB 0.935 28.672 27.740 -0.005 0.000 1.532 886 C HN 0.859 nan 8.230 nan 0.000 0.483 887 Q N 1.548 120.936 119.800 -0.686 0.000 2.368 887 Q HA 0.632 4.979 4.340 0.012 0.000 0.256 887 Q C -0.934 174.773 176.000 -0.488 0.000 0.980 887 Q CA -0.426 54.732 55.803 -1.074 0.000 0.887 887 Q CB 0.860 28.547 28.738 -1.752 0.000 1.221 887 Q HN 0.778 nan 8.270 nan 0.000 0.458 888 L N 2.605 123.640 121.223 -0.313 0.000 2.397 888 L HA 0.226 4.573 4.340 0.012 0.000 0.271 888 L C 1.185 177.989 176.870 -0.110 0.000 1.148 888 L CA -0.183 54.597 54.840 -0.101 0.000 0.825 888 L CB 0.854 42.957 42.059 0.073 0.000 1.117 888 L HN 0.815 nan 8.230 nan 0.000 0.456 889 A N 2.352 125.132 122.820 -0.066 0.000 2.014 889 A HA -0.093 4.234 4.320 0.012 0.000 0.218 889 A C 1.057 178.622 177.584 -0.032 0.000 1.163 889 A CA 0.649 52.639 52.037 -0.079 0.000 0.652 889 A CB -0.206 18.739 19.000 -0.092 0.000 0.808 889 A HN 0.818 nan 8.150 nan 0.000 0.449 890 Q N -0.456 119.361 119.800 0.028 0.000 2.256 890 Q HA 0.510 4.857 4.340 0.012 0.000 0.232 890 Q C -1.418 174.609 176.000 0.045 0.000 0.965 890 Q CA -0.305 55.501 55.803 0.005 0.000 0.908 890 Q CB 1.174 29.897 28.738 -0.025 0.000 1.209 890 Q HN 0.112 nan 8.270 nan 0.000 0.489 891 V N 2.107 122.014 119.914 -0.013 0.000 2.525 891 V HA 0.746 4.873 4.120 0.012 0.000 0.299 891 V C -0.870 175.182 176.094 -0.070 0.000 1.034 891 V CA -0.419 61.910 62.300 0.048 0.000 0.863 891 V CB 1.176 33.014 31.823 0.025 0.000 0.999 891 V HN 0.881 nan 8.190 nan 0.000 0.423 892 A N 3.191 125.927 122.820 -0.141 0.000 2.384 892 A HA 0.732 5.059 4.320 0.012 0.000 0.312 892 A C 0.629 178.215 177.584 0.003 0.000 1.113 892 A CA -0.496 51.394 52.037 -0.245 0.000 0.779 892 A CB 1.310 19.904 19.000 -0.678 0.000 1.307 892 A HN 0.812 nan 8.150 nan 0.000 0.436 893 E N 0.126 120.323 120.200 -0.004 0.000 2.152 893 E HA -0.059 4.298 4.350 0.012 0.000 0.192 893 E C 0.148 176.817 176.600 0.115 0.000 0.983 893 E CA 0.773 57.206 56.400 0.055 0.000 0.818 893 E CB 0.116 29.831 29.700 0.025 0.000 0.758 893 E HN 0.444 nan 8.360 nan 0.000 0.467 894 R N 0.151 120.732 120.500 0.134 0.000 2.888 894 R HA 0.532 4.879 4.340 0.012 0.000 0.266 894 R C -0.790 175.694 176.300 0.306 0.000 1.020 894 R CA -0.855 55.357 56.100 0.186 0.000 0.963 894 R CB 1.790 32.172 30.300 0.137 0.000 1.197 894 R HN -0.187 nan 8.270 nan 0.000 0.481 895 V N 1.758 121.859 119.914 0.312 0.000 2.443 895 V HA 0.361 4.487 4.120 0.012 0.000 0.293 895 V C -0.366 176.003 176.094 0.457 0.000 1.021 895 V CA -0.929 61.585 62.300 0.357 0.000 0.848 895 V CB 1.733 33.695 31.823 0.231 0.000 0.998 895 V HN 0.648 nan 8.190 nan 0.000 0.424 896 N N 4.773 123.718 118.700 0.408 0.000 2.354 896 N HA 0.543 5.290 4.740 0.012 0.000 0.287 896 N C -1.338 174.428 175.510 0.427 0.000 1.016 896 N CA -0.419 52.847 53.050 0.359 0.000 0.871 896 N CB 2.585 41.175 38.487 0.173 0.000 1.299 896 N HN 0.832 nan 8.380 nan 0.000 0.482 897 W N 3.221 124.554 121.300 0.056 0.000 3.118 897 W HA 0.574 5.241 4.660 0.011 0.000 0.328 897 W C -1.971 174.509 176.519 -0.066 0.000 1.239 897 W CA -1.137 56.214 57.345 0.011 0.000 1.176 897 W CB 0.741 30.229 29.460 0.047 0.000 1.433 897 W HN 0.210 nan 8.180 nan 0.000 0.562 898 L N 4.192 125.386 121.223 -0.048 0.000 2.283 898 L HA 0.895 5.242 4.340 0.012 0.000 0.281 898 L C 0.009 176.650 176.870 -0.382 0.000 1.033 898 L CA 0.363 54.984 54.840 -0.364 0.000 0.848 898 L CB 0.455 42.402 42.059 -0.186 0.000 1.226 898 L HN 0.977 nan 8.230 nan 0.000 0.429 899 G N 3.611 112.020 108.800 -0.652 0.000 2.335 899 G HA2 0.201 4.168 3.960 0.012 0.000 0.291 899 G HA3 0.201 4.168 3.960 0.012 0.000 0.291 899 G C -1.585 173.253 174.900 -0.104 0.000 1.261 899 G CA -1.061 43.844 45.100 -0.325 0.000 0.871 899 G HN 0.395 nan 8.290 nan 0.000 0.491 900 L N 1.109 122.444 121.223 0.187 0.000 2.410 900 L HA 0.581 4.928 4.340 0.012 0.000 0.273 900 L C 1.083 178.044 176.870 0.152 0.000 1.152 900 L CA 0.806 55.749 54.840 0.172 0.000 0.855 900 L CB 0.454 42.572 42.059 0.100 0.000 1.129 900 L HN 1.164 nan 8.230 nan 0.000 0.463 901 G N 3.052 111.722 108.800 -0.217 0.000 2.427 901 G HA2 0.279 4.246 3.960 0.012 0.000 0.306 901 G HA3 0.279 4.246 3.960 0.012 0.000 0.306 901 G C -2.765 171.318 174.900 -1.362 0.000 1.280 901 G CA -0.284 44.327 45.100 -0.815 0.000 0.837 901 G HN 0.309 nan 8.290 nan 0.000 0.482 902 P HA 0.097 nan 4.420 nan 0.000 0.239 902 P C 0.442 177.543 177.300 -0.333 0.000 1.188 902 P CA 0.552 62.972 63.100 -1.133 0.000 0.794 902 P CB 0.521 31.666 31.700 -0.924 0.000 0.937 903 Q N 0.475 120.078 119.800 -0.329 0.000 2.318 903 Q HA 0.159 4.506 4.340 0.012 0.000 0.222 903 Q C 0.402 176.292 176.000 -0.183 0.000 1.003 903 Q CA -0.619 55.067 55.803 -0.194 0.000 0.936 903 Q CB 0.700 29.342 28.738 -0.160 0.000 1.204 903 Q HN 0.122 nan 8.270 nan 0.000 0.524 904 E N 1.230 121.328 120.200 -0.171 0.000 2.502 904 E HA -0.098 4.259 4.350 0.012 0.000 0.261 904 E C -1.133 175.389 176.600 -0.131 0.000 0.974 904 E CA 0.286 56.574 56.400 -0.185 0.000 0.936 904 E CB 0.273 29.922 29.700 -0.084 0.000 0.926 904 E HN 0.611 nan 8.360 nan 0.000 0.459 905 N N 2.571 121.128 118.700 -0.239 0.000 2.367 905 N HA 0.296 5.043 4.740 0.012 0.000 0.278 905 N C -1.893 173.409 175.510 -0.347 0.000 1.117 905 N CA -0.663 52.296 53.050 -0.151 0.000 0.867 905 N CB 0.687 39.100 38.487 -0.124 0.000 1.649 905 N HN 0.237 nan 8.380 nan 0.000 0.479 906 Y N 0.289 120.498 120.300 -0.151 0.000 2.630 906 Y HA 0.516 5.073 4.550 0.012 0.000 0.337 906 Y C -1.620 174.206 175.900 -0.123 0.000 1.051 906 Y CA -2.046 55.952 58.100 -0.171 0.000 1.121 906 Y CB 1.916 40.273 38.460 -0.172 0.000 1.299 906 Y HN 0.439 nan 8.280 nan 0.000 0.498 907 P HA -0.188 nan 4.420 nan 0.000 0.216 907 P C 0.398 177.580 177.300 -0.197 0.000 1.154 907 P CA 2.204 65.345 63.100 0.068 0.000 0.865 907 P CB 0.204 32.071 31.700 0.278 0.000 0.789 908 D N -2.559 117.502 120.400 -0.566 0.000 2.349 908 D HA 0.001 4.648 4.640 0.012 0.000 0.214 908 D C 0.804 176.943 176.300 -0.268 0.000 1.063 908 D CA 0.139 53.590 54.000 -0.915 0.000 0.847 908 D CB -0.244 39.767 40.800 -1.314 0.000 0.933 908 D HN 0.121 nan 8.370 nan 0.000 0.513 909 R N 1.067 121.512 120.500 -0.091 0.000 2.638 909 R HA 0.208 4.555 4.340 0.012 0.000 0.261 909 R C -0.569 175.760 176.300 0.049 0.000 1.515 909 R CA -0.174 55.939 56.100 0.021 0.000 1.623 909 R CB 0.080 30.401 30.300 0.035 0.000 1.347 909 R HN 0.096 nan 8.270 nan 0.000 0.705 910 L N -1.700 119.560 121.223 0.060 0.000 3.386 910 L HA 0.334 4.681 4.340 0.012 0.000 0.307 910 L C 1.297 178.220 176.870 0.088 0.000 1.235 910 L CA 0.106 54.980 54.840 0.057 0.000 1.056 910 L CB 0.082 42.163 42.059 0.038 0.000 1.453 910 L HN 0.082 nan 8.230 nan 0.000 0.615 911 T N -2.639 111.993 114.554 0.131 0.000 2.867 911 T HA -0.005 4.352 4.350 0.012 0.000 0.268 911 T C 1.793 176.506 174.700 0.022 0.000 1.057 911 T CA 1.319 63.513 62.100 0.156 0.000 1.136 911 T CB -0.355 68.668 68.868 0.259 0.000 0.874 911 T HN 0.392 nan 8.240 nan 0.000 0.466 912 A N 1.665 124.509 122.820 0.040 0.000 2.066 912 A HA 0.624 4.951 4.320 0.012 0.000 0.218 912 A C 1.638 179.288 177.584 0.111 0.000 1.157 912 A CA 0.559 52.571 52.037 -0.042 0.000 0.670 912 A CB -0.972 18.162 19.000 0.222 0.000 0.804 912 A HN 0.845 nan 8.150 nan 0.000 0.453 913 A N -1.109 121.730 122.820 0.032 0.000 2.407 913 A HA 0.444 4.771 4.320 0.012 0.000 0.248 913 A C 0.026 177.625 177.584 0.024 0.000 1.082 913 A CA -0.039 51.981 52.037 -0.027 0.000 0.785 913 A CB -0.115 18.860 19.000 -0.042 0.000 1.020 913 A HN 0.480 nan 8.150 nan 0.000 0.489 914 C N 0.643 119.956 119.300 0.022 0.000 2.493 914 C HA 0.545 5.012 4.460 0.012 0.000 0.326 914 C C -0.107 174.968 174.990 0.141 0.000 1.200 914 C CA -0.508 58.568 59.018 0.096 0.000 1.739 914 C CB 0.771 28.592 27.740 0.134 0.000 2.300 914 C HN 0.793 nan 8.230 nan 0.000 0.500 915 F N 3.644 123.393 119.950 -0.334 0.000 2.445 915 F HA 0.481 5.015 4.527 0.012 0.000 0.359 915 F C 0.368 175.793 175.800 -0.624 0.000 1.101 915 F CA 1.209 58.873 58.000 -0.560 0.000 1.177 915 F CB 0.046 38.179 39.000 -1.444 0.000 1.110 915 F HN 0.630 nan 8.300 nan 0.000 0.522 916 D N 3.297 123.108 120.400 -0.982 0.000 2.865 916 D HA 0.181 4.828 4.640 0.012 0.000 0.343 916 D C -1.680 173.748 176.300 -1.454 0.000 1.372 916 D CA -0.724 52.589 54.000 -1.144 0.000 0.862 916 D CB 1.450 41.460 40.800 -1.317 0.000 1.425 916 D HN 0.497 nan 8.370 nan 0.000 0.501 917 R N 0.624 120.372 120.500 -1.253 0.000 2.229 917 R HA 0.538 4.885 4.340 0.012 0.000 0.328 917 R C -1.367 174.215 176.300 -1.198 0.000 1.009 917 R CA -0.246 55.265 56.100 -0.983 0.000 0.864 917 R CB 0.311 30.289 30.300 -0.536 0.000 1.085 917 R HN 0.288 nan 8.270 nan 0.000 0.453 918 W N 2.743 123.551 121.300 -0.820 0.000 2.627 918 W HA 0.416 5.083 4.660 0.012 0.000 0.339 918 W C -0.482 175.716 176.519 -0.536 0.000 1.058 918 W CA -0.664 56.137 57.345 -0.906 0.000 1.223 918 W CB 1.704 30.098 29.460 -1.776 0.000 1.389 918 W HN 0.389 nan 8.180 nan 0.000 0.541 919 D N 2.869 123.262 120.400 -0.011 0.000 2.616 919 D HA 0.412 5.059 4.640 0.012 0.000 0.238 919 D C -1.491 174.917 176.300 0.180 0.000 1.354 919 D CA -0.131 53.942 54.000 0.122 0.000 0.970 919 D CB 0.923 41.746 40.800 0.040 0.000 1.369 919 D HN 0.372 nan 8.370 nan 0.000 0.585 920 L N 3.078 124.477 121.223 0.292 0.000 2.327 920 L HA 0.592 4.939 4.340 0.012 0.000 0.258 920 L C -2.257 174.726 176.870 0.188 0.000 1.024 920 L CA -2.153 52.823 54.840 0.226 0.000 0.825 920 L CB 2.693 44.925 42.059 0.289 0.000 1.386 920 L HN 0.176 nan 8.230 nan 0.000 0.417 921 P HA 0.034 nan 4.420 nan 0.000 0.272 921 P C 0.573 177.944 177.300 0.118 0.000 1.223 921 P CA -0.402 62.765 63.100 0.112 0.000 0.784 921 P CB 1.073 32.819 31.700 0.078 0.000 0.923 922 L N 3.497 124.795 121.223 0.124 0.000 2.021 922 L HA -0.274 4.073 4.340 0.012 0.000 0.215 922 L C 2.322 179.232 176.870 0.067 0.000 1.074 922 L CA 2.911 57.813 54.840 0.103 0.000 0.760 922 L CB -1.650 40.483 42.059 0.125 0.000 0.889 922 L HN 0.481 nan 8.230 nan 0.000 0.433 923 S N -1.921 113.822 115.700 0.071 0.000 2.442 923 S HA -0.167 4.310 4.470 0.012 0.000 0.236 923 S C 1.553 176.215 174.600 0.103 0.000 1.007 923 S CA 1.102 59.358 58.200 0.094 0.000 0.965 923 S CB -0.787 62.465 63.200 0.088 0.000 0.773 923 S HN 0.537 nan 8.310 nan 0.000 0.504 924 D N 1.069 121.509 120.400 0.067 0.000 2.371 924 D HA 0.109 4.756 4.640 0.012 0.000 0.221 924 D C 1.153 177.452 176.300 -0.002 0.000 0.986 924 D CA 0.576 54.596 54.000 0.032 0.000 0.899 924 D CB -0.112 40.714 40.800 0.043 0.000 0.902 924 D HN 0.385 nan 8.370 nan 0.000 0.530 925 M N -0.454 119.151 119.600 0.008 0.000 2.494 925 M HA 0.077 4.564 4.480 0.012 0.000 0.232 925 M C -0.123 176.164 176.300 -0.022 0.000 1.137 925 M CA -0.064 55.193 55.300 -0.071 0.000 1.012 925 M CB -0.691 31.855 32.600 -0.090 0.000 1.567 925 M HN -0.046 nan 8.290 nan 0.000 0.486 926 Y N -0.106 120.144 120.300 -0.083 0.000 2.409 926 Y HA 0.508 5.065 4.550 0.012 0.000 0.343 926 Y C -0.804 175.042 175.900 -0.090 0.000 0.973 926 Y CA -0.967 57.106 58.100 -0.046 0.000 1.064 926 Y CB 1.341 39.839 38.460 0.063 0.000 1.207 926 Y HN -0.128 nan 8.280 nan 0.000 0.452 927 T N 8.952 123.024 114.554 -0.803 0.000 2.756 927 T HA 0.284 4.641 4.350 0.012 0.000 0.290 927 T C -2.665 171.247 174.700 -1.314 0.000 0.985 927 T CA -1.487 60.051 62.100 -0.937 0.000 0.955 927 T CB 1.041 69.420 68.868 -0.816 0.000 0.930 927 T HN 0.462 nan 8.240 nan 0.000 0.451 928 P HA 0.122 nan 4.420 nan 0.000 0.225 928 P C -0.608 176.534 177.300 -0.263 0.000 1.768 928 P CA -0.455 62.209 63.100 -0.727 0.000 0.943 928 P CB -0.731 30.691 31.700 -0.464 0.000 1.936 929 Y N -0.299 119.931 120.300 -0.118 0.000 2.712 929 Y HA -0.111 4.446 4.550 0.012 0.000 0.333 929 Y C 2.306 178.257 175.900 0.085 0.000 1.225 929 Y CA -0.447 57.658 58.100 0.008 0.000 1.499 929 Y CB 0.479 38.866 38.460 -0.121 0.000 1.288 929 Y HN -0.091 nan 8.280 nan 0.000 0.575 930 V N 3.608 123.752 119.914 0.384 0.000 2.282 930 V HA -0.320 3.807 4.120 0.012 0.000 0.249 930 V C 0.581 176.840 176.094 0.274 0.000 1.057 930 V CA 1.531 64.026 62.300 0.325 0.000 1.032 930 V CB -0.556 31.494 31.823 0.379 0.000 0.645 930 V HN 0.593 nan 8.190 nan 0.000 0.447 931 F N 2.978 122.963 119.950 0.058 0.000 2.371 931 F HA 0.496 5.030 4.527 0.012 0.000 0.363 931 F C -2.449 173.339 175.800 -0.020 0.000 1.122 931 F CA -3.351 54.624 58.000 -0.042 0.000 1.129 931 F CB 0.742 39.594 39.000 -0.246 0.000 1.173 931 F HN -0.001 nan 8.300 nan 0.000 0.489 932 P HA 0.227 nan 4.420 nan 0.000 0.268 932 P C -1.029 175.959 177.300 -0.519 0.000 1.205 932 P CA 0.140 62.965 63.100 -0.459 0.000 0.771 932 P CB 1.163 32.615 31.700 -0.414 0.000 0.858 933 S N 0.314 115.907 115.700 -0.178 0.000 2.757 933 S HA 0.460 4.937 4.470 0.012 0.000 0.285 933 S C -0.788 173.805 174.600 -0.011 0.000 1.196 933 S CA -0.962 57.180 58.200 -0.097 0.000 0.856 933 S CB 0.366 63.545 63.200 -0.035 0.000 1.212 933 S HN 0.326 nan 8.310 nan 0.000 0.516 934 E N 1.257 121.464 120.200 0.013 0.000 2.529 934 E HA 0.358 4.715 4.350 0.012 0.000 0.259 934 E C -0.203 176.451 176.600 0.090 0.000 0.966 934 E CA 0.778 57.212 56.400 0.057 0.000 0.937 934 E CB -0.330 29.430 29.700 0.099 0.000 0.923 934 E HN 0.777 nan 8.360 nan 0.000 0.468 935 N N 1.523 120.311 118.700 0.146 0.000 3.046 935 N HA 0.493 5.240 4.740 0.012 0.000 0.243 935 N C 0.224 175.794 175.510 0.099 0.000 1.452 935 N CA -0.597 52.576 53.050 0.205 0.000 0.882 935 N CB 0.852 39.452 38.487 0.188 0.000 1.425 935 N HN 0.682 nan 8.380 nan 0.000 0.517 936 G N -1.302 107.510 108.800 0.019 0.000 2.168 936 G HA2 -0.279 3.688 3.960 0.012 0.000 0.263 936 G HA3 -0.279 3.688 3.960 0.012 0.000 0.263 936 G C -0.160 174.481 174.900 -0.430 0.000 0.977 936 G CA 0.515 45.506 45.100 -0.182 0.000 0.659 936 G HN 0.685 nan 8.290 nan 0.000 0.533 937 L N -0.076 120.814 121.223 -0.555 0.000 2.499 937 L HA 0.631 4.978 4.340 0.012 0.000 0.281 937 L C 0.691 176.986 176.870 -0.958 0.000 1.234 937 L CA 0.553 54.825 54.840 -0.948 0.000 0.839 937 L CB 0.525 41.684 42.059 -1.500 0.000 1.104 937 L HN 0.275 nan 8.230 nan 0.000 0.500 938 R N 2.153 122.011 120.500 -1.071 0.000 2.575 938 R HA 0.502 4.849 4.340 0.012 0.000 0.293 938 R C -1.049 174.903 176.300 -0.580 0.000 0.983 938 R CA -0.290 55.322 56.100 -0.813 0.000 0.887 938 R CB 1.454 31.167 30.300 -0.979 0.000 1.184 938 R HN 0.688 nan 8.270 nan 0.000 0.445 939 C N 0.241 119.353 119.300 -0.314 0.000 2.380 939 C HA 0.725 5.192 4.460 0.012 0.000 0.393 939 C C 1.254 176.224 174.990 -0.034 0.000 1.284 939 C CA -0.024 58.887 59.018 -0.179 0.000 2.033 939 C CB 1.370 29.028 27.740 -0.136 0.000 2.165 939 C HN 1.026 nan 8.230 nan 0.000 0.540 940 G N 1.795 110.587 108.800 -0.014 0.000 2.390 940 G HA2 -0.190 3.777 3.960 0.012 0.000 0.299 940 G HA3 -0.190 3.777 3.960 0.012 0.000 0.299 940 G C -0.034 174.918 174.900 0.087 0.000 1.002 940 G CA 0.633 45.776 45.100 0.072 0.000 0.979 940 G HN 0.795 nan 8.290 nan 0.000 0.513 941 T N -0.001 114.474 114.554 -0.131 0.000 2.806 941 T HA 0.485 4.842 4.350 0.012 0.000 0.290 941 T C 1.419 175.761 174.700 -0.597 0.000 0.966 941 T CA -0.590 61.359 62.100 -0.251 0.000 1.060 941 T CB 1.223 69.995 68.868 -0.161 0.000 0.927 941 T HN 0.244 nan 8.240 nan 0.000 0.485 942 R N 1.685 122.072 120.500 -0.189 0.000 2.225 942 R HA 0.295 4.642 4.340 0.012 0.000 0.194 942 R C 0.576 176.903 176.300 0.045 0.000 0.957 942 R CA 0.267 56.337 56.100 -0.050 0.000 1.042 942 R CB 0.309 30.721 30.300 0.186 0.000 1.004 942 R HN 0.676 nan 8.270 nan 0.000 0.509 943 E N 0.428 120.672 120.200 0.074 0.000 2.335 943 E HA 0.329 4.686 4.350 0.012 0.000 0.280 943 E C -1.863 174.888 176.600 0.252 0.000 0.918 943 E CA -0.659 55.873 56.400 0.218 0.000 0.765 943 E CB 1.550 31.337 29.700 0.145 0.000 1.218 943 E HN -0.093 nan 8.360 nan 0.000 0.425 944 L N 4.027 125.457 121.223 0.344 0.000 2.385 944 L HA 0.594 4.941 4.340 0.012 0.000 0.273 944 L C -1.800 175.257 176.870 0.312 0.000 0.990 944 L CA -0.415 54.550 54.840 0.208 0.000 0.821 944 L CB 1.737 43.735 42.059 -0.102 0.000 1.279 944 L HN 0.458 nan 8.230 nan 0.000 0.412 945 N N 4.514 123.368 118.700 0.256 0.000 2.354 945 N HA 0.370 5.117 4.740 0.012 0.000 0.287 945 N C -1.969 173.758 175.510 0.362 0.000 1.016 945 N CA -0.260 52.940 53.050 0.251 0.000 0.871 945 N CB 2.118 40.697 38.487 0.153 0.000 1.299 945 N HN 0.584 nan 8.380 nan 0.000 0.482 946 Y N 1.402 121.837 120.300 0.226 0.000 2.307 946 Y HA 0.408 4.965 4.550 0.012 0.000 0.323 946 Y C 0.687 176.696 175.900 0.181 0.000 1.100 946 Y CA 0.015 58.247 58.100 0.219 0.000 1.140 946 Y CB 0.550 39.197 38.460 0.312 0.000 1.159 946 Y HN 0.862 nan 8.280 nan 0.000 0.436 947 G N 6.703 115.353 108.800 -0.251 0.000 2.591 947 G HA2 -0.306 3.661 3.960 0.012 0.000 0.298 947 G HA3 -0.306 3.661 3.960 0.012 0.000 0.298 947 G C -1.759 173.037 174.900 -0.173 0.000 1.195 947 G CA 0.186 45.122 45.100 -0.272 0.000 0.989 947 G HN 0.534 nan 8.290 nan 0.000 0.551 948 P HA 0.144 nan 4.420 nan 0.000 0.245 948 P C 0.337 177.422 177.300 -0.360 0.000 1.206 948 P CA 0.780 63.690 63.100 -0.318 0.000 0.781 948 P CB 0.008 31.456 31.700 -0.419 0.000 0.994 949 H N 0.307 119.299 119.070 -0.131 0.000 2.482 949 H HA 0.429 4.992 4.556 0.012 0.000 0.344 949 H C -0.008 175.037 175.328 -0.470 0.000 1.151 949 H CA 0.019 55.857 56.048 -0.350 0.000 1.300 949 H CB 1.462 30.783 29.762 -0.735 0.000 1.494 949 H HN 0.073 nan 8.280 nan 0.000 0.542 950 Q N 2.270 121.803 119.800 -0.445 0.000 2.323 950 Q HA 0.243 4.590 4.340 0.012 0.000 0.271 950 Q C -1.624 174.097 176.000 -0.465 0.000 1.048 950 Q CA -0.716 54.911 55.803 -0.293 0.000 0.792 950 Q CB 1.978 30.683 28.738 -0.054 0.000 1.280 950 Q HN 0.578 nan 8.270 nan 0.000 0.441 951 W N 3.995 125.253 121.300 -0.070 0.000 2.656 951 W HA 0.559 5.226 4.660 0.012 0.000 0.327 951 W C -0.358 176.241 176.519 0.133 0.000 1.041 951 W CA -0.767 56.503 57.345 -0.124 0.000 1.229 951 W CB 1.939 31.115 29.460 -0.473 0.000 1.397 951 W HN 0.512 nan 8.180 nan 0.000 0.479 952 R N 1.042 121.791 120.500 0.414 0.000 2.621 952 R HA 0.783 5.130 4.340 0.012 0.000 0.292 952 R C 0.222 176.800 176.300 0.465 0.000 0.969 952 R CA -0.452 55.902 56.100 0.422 0.000 0.887 952 R CB 2.386 32.840 30.300 0.256 0.000 1.180 952 R HN 0.744 nan 8.270 nan 0.000 0.450 953 G N 0.822 109.902 108.800 0.467 0.000 2.566 953 G HA2 0.018 3.985 3.960 0.012 0.000 0.138 953 G HA3 0.018 3.985 3.960 0.012 0.000 0.138 953 G C -1.731 173.300 174.900 0.218 0.000 1.133 953 G CA -0.335 45.001 45.100 0.392 0.000 1.037 953 G HN 0.477 nan 8.290 nan 0.000 0.491 954 D N 0.102 120.631 120.400 0.215 0.000 2.429 954 D HA 0.579 5.226 4.640 0.012 0.000 0.255 954 D C -0.733 175.567 176.300 0.000 0.000 1.257 954 D CA -0.500 53.508 54.000 0.014 0.000 0.890 954 D CB 0.135 40.983 40.800 0.080 0.000 1.267 954 D HN 0.497 nan 8.370 nan 0.000 0.521 955 F N -0.380 119.572 119.950 0.002 0.000 2.706 955 F HA 0.727 5.261 4.527 0.012 0.000 0.328 955 F C -1.017 174.742 175.800 -0.069 0.000 1.123 955 F CA -1.019 56.918 58.000 -0.105 0.000 0.978 955 F CB 0.724 39.667 39.000 -0.095 0.000 1.404 955 F HN -0.179 nan 8.300 nan 0.000 0.497 956 Q N 1.502 121.396 119.800 0.157 0.000 2.345 956 Q HA 0.657 5.004 4.340 0.012 0.000 0.268 956 Q C -1.279 174.788 176.000 0.112 0.000 1.054 956 Q CA -0.508 55.296 55.803 0.001 0.000 0.835 956 Q CB 2.712 31.332 28.738 -0.197 0.000 1.339 956 Q HN 0.868 nan 8.270 nan 0.000 0.447 957 F N -1.211 118.623 119.950 -0.193 0.000 2.686 957 F HA 0.748 5.282 4.527 0.012 0.000 0.311 957 F C -1.497 174.079 175.800 -0.374 0.000 1.128 957 F CA -1.128 56.706 58.000 -0.278 0.000 0.946 957 F CB 1.514 40.354 39.000 -0.267 0.000 1.336 957 F HN 0.571 nan 8.300 nan 0.000 0.457 958 N N 1.223 119.746 118.700 -0.295 0.000 2.416 958 N HA 0.750 5.497 4.740 0.012 0.000 0.276 958 N C -2.107 173.328 175.510 -0.125 0.000 1.261 958 N CA -0.751 52.102 53.050 -0.328 0.000 0.790 958 N CB 2.664 40.966 38.487 -0.308 0.000 1.554 958 N HN 1.143 nan 8.380 nan 0.000 0.481 959 I N 0.348 120.835 120.570 -0.138 0.000 2.685 959 I HA 0.650 4.827 4.170 0.012 0.000 0.289 959 I C -1.517 174.506 176.117 -0.158 0.000 1.292 959 I CA 0.051 61.240 61.300 -0.184 0.000 1.050 959 I CB 1.348 39.172 38.000 -0.293 0.000 1.301 959 I HN 1.068 nan 8.210 nan 0.000 0.425 960 S N 6.202 121.824 115.700 -0.129 0.000 2.655 960 S HA 0.517 4.994 4.470 0.012 0.000 0.266 960 S C -0.288 174.197 174.600 -0.191 0.000 1.149 960 S CA -0.998 57.112 58.200 -0.150 0.000 0.818 960 S CB 1.711 64.868 63.200 -0.070 0.000 1.130 960 S HN 0.639 nan 8.310 nan 0.000 0.476 961 R N -0.075 120.135 120.500 -0.482 0.000 2.356 961 R HA 0.255 4.602 4.340 0.012 0.000 0.234 961 R C -0.906 175.088 176.300 -0.511 0.000 0.929 961 R CA 0.281 56.090 56.100 -0.485 0.000 1.084 961 R CB -0.898 29.012 30.300 -0.649 0.000 1.105 961 R HN 0.660 nan 8.270 nan 0.000 0.515 962 Y N 0.217 120.500 120.300 -0.027 0.000 2.361 962 Y HA 0.196 4.752 4.550 0.012 0.000 0.337 962 Y C 0.642 176.351 175.900 -0.320 0.000 0.965 962 Y CA -1.142 56.858 58.100 -0.168 0.000 1.091 962 Y CB 1.515 39.811 38.460 -0.272 0.000 1.182 962 Y HN -0.086 nan 8.280 nan 0.000 0.450 963 S N 1.644 117.038 115.700 -0.510 0.000 2.593 963 S HA 0.057 4.534 4.470 0.012 0.000 0.269 963 S C 0.882 175.154 174.600 -0.546 0.000 1.334 963 S CA -0.769 56.763 58.200 -1.112 0.000 1.015 963 S CB 1.231 63.566 63.200 -1.443 0.000 0.912 963 S HN 0.722 nan 8.310 nan 0.000 0.541 964 Q N 0.865 120.356 119.800 -0.515 0.000 2.135 964 Q HA -0.215 4.132 4.340 0.012 0.000 0.204 964 Q C 2.242 178.100 176.000 -0.236 0.000 0.981 964 Q CA 1.989 57.626 55.803 -0.277 0.000 0.856 964 Q CB -0.572 28.031 28.738 -0.224 0.000 0.902 964 Q HN 0.989 nan 8.270 nan 0.000 0.425 965 Q N 0.578 120.204 119.800 -0.290 0.000 2.084 965 Q HA -0.222 4.125 4.340 0.012 0.000 0.202 965 Q C 2.120 178.009 176.000 -0.185 0.000 0.978 965 Q CA 1.581 57.271 55.803 -0.187 0.000 0.844 965 Q CB 0.006 28.641 28.738 -0.172 0.000 0.898 965 Q HN 0.408 nan 8.270 nan 0.000 0.426 966 Q N 0.016 119.673 119.800 -0.238 0.000 2.046 966 Q HA -0.163 4.184 4.340 0.012 0.000 0.200 966 Q C 2.188 178.045 176.000 -0.239 0.000 0.975 966 Q CA 1.386 57.051 55.803 -0.230 0.000 0.836 966 Q CB -0.066 28.507 28.738 -0.275 0.000 0.896 966 Q HN 0.494 nan 8.270 nan 0.000 0.428 967 L N 0.060 121.144 121.223 -0.232 0.000 2.083 967 L HA -0.204 4.143 4.340 0.012 0.000 0.209 967 L C 2.670 179.404 176.870 -0.226 0.000 1.083 967 L CA 1.141 55.841 54.840 -0.233 0.000 0.752 967 L CB -0.320 41.640 42.059 -0.165 0.000 0.899 967 L HN 0.375 nan 8.230 nan 0.000 0.433 968 M N -0.626 118.875 119.600 -0.166 0.000 2.229 968 M HA -0.196 4.291 4.480 0.012 0.000 0.264 968 M C 1.703 177.925 176.300 -0.130 0.000 1.063 968 M CA 1.667 56.889 55.300 -0.129 0.000 1.114 968 M CB 0.068 32.607 32.600 -0.102 0.000 1.387 968 M HN 0.214 nan 8.290 nan 0.000 0.420 969 E N -1.037 119.081 120.200 -0.136 0.000 2.474 969 E HA 0.032 4.389 4.350 0.012 0.000 0.194 969 E C -0.279 176.256 176.600 -0.109 0.000 1.041 969 E CA 0.175 56.514 56.400 -0.101 0.000 0.874 969 E CB 0.440 30.090 29.700 -0.084 0.000 0.914 969 E HN 0.286 nan 8.360 nan 0.000 0.498 970 T N 0.091 114.540 114.554 -0.174 0.000 2.797 970 T HA 0.116 4.473 4.350 0.012 0.000 0.279 970 T C 0.992 175.578 174.700 -0.190 0.000 0.991 970 T CA -0.533 61.464 62.100 -0.172 0.000 0.979 970 T CB 1.716 70.434 68.868 -0.250 0.000 0.943 970 T HN 0.008 nan 8.240 nan 0.000 0.444 971 S N 1.544 117.229 115.700 -0.025 0.000 2.501 971 S HA 0.096 4.573 4.470 0.012 0.000 0.220 971 S C 0.232 174.859 174.600 0.045 0.000 0.997 971 S CA 0.217 58.476 58.200 0.099 0.000 0.919 971 S CB -0.225 63.188 63.200 0.354 0.000 0.778 971 S HN 0.751 nan 8.310 nan 0.000 0.523 972 H N 0.426 119.470 119.070 -0.044 0.000 2.771 972 H HA 0.477 5.040 4.556 0.012 0.000 0.361 972 H C 0.921 176.179 175.328 -0.117 0.000 1.108 972 H CA -0.817 55.253 56.048 0.037 0.000 1.201 972 H CB 1.461 31.222 29.762 -0.002 0.000 1.681 972 H HN 0.086 nan 8.280 nan 0.000 0.534 973 R N 2.013 122.586 120.500 0.121 0.000 2.105 973 R HA -0.194 4.153 4.340 0.012 0.000 0.239 973 R C 1.271 177.556 176.300 -0.026 0.000 1.135 973 R CA 2.054 58.168 56.100 0.023 0.000 0.967 973 R CB -0.490 29.870 30.300 0.101 0.000 0.861 973 R HN 0.817 nan 8.270 nan 0.000 0.442 974 H N 1.007 120.067 119.070 -0.017 0.000 2.521 974 H HA 0.009 4.572 4.556 0.012 0.000 0.286 974 H C 1.510 176.742 175.328 -0.160 0.000 1.034 974 H CA 0.886 56.882 56.048 -0.086 0.000 1.278 974 H CB -0.151 29.565 29.762 -0.077 0.000 1.386 974 H HN 0.326 nan 8.280 nan 0.000 0.567 975 L N 0.888 121.671 121.223 -0.732 0.000 2.591 975 L HA 0.201 4.548 4.340 0.012 0.000 0.228 975 L C 0.804 177.497 176.870 -0.295 0.000 1.133 975 L CA -0.131 54.388 54.840 -0.535 0.000 0.880 975 L CB 0.092 41.828 42.059 -0.538 0.000 1.033 975 L HN 0.079 nan 8.230 nan 0.000 0.450 976 L N 0.350 121.385 121.223 -0.313 0.000 2.453 976 L HA 0.184 4.531 4.340 0.012 0.000 0.261 976 L C 0.113 176.892 176.870 -0.152 0.000 1.179 976 L CA -0.206 54.404 54.840 -0.383 0.000 0.813 976 L CB 0.568 42.201 42.059 -0.709 0.000 1.110 976 L HN 0.211 nan 8.230 nan 0.000 0.466 977 H N 0.980 120.051 119.070 0.001 0.000 2.782 977 H HA 0.554 5.117 4.556 0.012 0.000 0.347 977 H C -0.903 174.553 175.328 0.214 0.000 1.038 977 H CA -1.195 54.908 56.048 0.092 0.000 1.255 977 H CB 1.196 30.969 29.762 0.018 0.000 1.623 977 H HN 0.676 nan 8.280 nan 0.000 0.525 978 A N 3.755 126.738 122.820 0.271 0.000 2.511 978 A HA 0.097 4.424 4.320 0.012 0.000 0.242 978 A C 0.399 178.069 177.584 0.144 0.000 1.069 978 A CA -0.181 51.876 52.037 0.032 0.000 0.763 978 A CB 0.098 19.050 19.000 -0.081 0.000 1.001 978 A HN 0.848 nan 8.150 nan 0.000 0.498 979 E N 0.707 120.977 120.200 0.117 0.000 2.322 979 E HA 0.224 4.581 4.350 0.012 0.000 0.257 979 E C 0.018 176.660 176.600 0.070 0.000 1.155 979 E CA -0.609 55.904 56.400 0.190 0.000 0.936 979 E CB 0.690 30.583 29.700 0.322 0.000 1.130 979 E HN 0.805 nan 8.360 nan 0.000 0.465 980 E N 0.097 120.327 120.200 0.050 0.000 2.398 980 E HA 0.248 4.605 4.350 0.012 0.000 0.263 980 E C 0.302 176.854 176.600 -0.079 0.000 1.046 980 E CA 0.469 56.859 56.400 -0.017 0.000 0.908 980 E CB 0.397 30.084 29.700 -0.022 0.000 0.963 980 E HN 0.653 nan 8.360 nan 0.000 0.431 981 G N 2.358 111.111 108.800 -0.078 0.000 2.698 981 G HA2 -0.221 3.746 3.960 0.012 0.000 0.233 981 G HA3 -0.221 3.746 3.960 0.012 0.000 0.233 981 G C -0.625 174.208 174.900 -0.111 0.000 1.352 981 G CA -0.170 44.864 45.100 -0.109 0.000 0.879 981 G HN 0.666 nan 8.290 nan 0.000 0.567 982 T N 0.129 114.604 114.554 -0.133 0.000 2.848 982 T HA 0.520 4.877 4.350 0.012 0.000 0.285 982 T C -0.787 173.772 174.700 -0.236 0.000 0.995 982 T CA -0.166 61.867 62.100 -0.112 0.000 0.970 982 T CB 1.438 70.328 68.868 0.036 0.000 0.976 982 T HN 0.565 nan 8.240 nan 0.000 0.441 983 W N 3.033 124.238 121.300 -0.158 0.000 2.338 983 W HA 0.627 5.294 4.660 0.012 0.000 0.307 983 W C -0.344 176.040 176.519 -0.226 0.000 1.167 983 W CA -0.647 56.601 57.345 -0.162 0.000 1.208 983 W CB 0.802 30.179 29.460 -0.137 0.000 1.228 983 W HN 0.379 nan 8.180 nan 0.000 0.499 984 L N 5.415 126.633 121.223 -0.007 0.000 2.362 984 L HA 0.533 4.880 4.340 0.012 0.000 0.275 984 L C -1.019 175.748 176.870 -0.172 0.000 0.998 984 L CA -0.449 54.264 54.840 -0.212 0.000 0.820 984 L CB 1.017 42.799 42.059 -0.462 0.000 1.270 984 L HN 0.316 nan 8.230 nan 0.000 0.415 985 N N 6.896 125.478 118.700 -0.196 0.000 2.407 985 N HA 0.493 5.240 4.740 0.012 0.000 0.277 985 N C -1.299 174.055 175.510 -0.261 0.000 0.995 985 N CA -0.289 52.642 53.050 -0.198 0.000 0.903 985 N CB 2.398 40.797 38.487 -0.146 0.000 1.218 985 N HN 0.529 nan 8.380 nan 0.000 0.487 986 I N 1.986 122.357 120.570 -0.331 0.000 2.439 986 I HA 0.223 4.400 4.170 0.012 0.000 0.283 986 I C -0.785 175.136 176.117 -0.326 0.000 1.023 986 I CA -0.542 60.522 61.300 -0.393 0.000 1.100 986 I CB 1.755 39.344 38.000 -0.686 0.000 1.238 986 I HN 0.186 nan 8.210 nan 0.000 0.445 987 D N 4.381 124.626 120.400 -0.259 0.000 2.168 987 D HA 0.314 4.961 4.640 0.012 0.000 0.246 987 D C 1.039 177.039 176.300 -0.500 0.000 1.050 987 D CA -0.189 53.596 54.000 -0.358 0.000 0.857 987 D CB 2.514 43.202 40.800 -0.187 0.000 1.169 987 D HN 0.691 nan 8.370 nan 0.000 0.453 988 G N 1.031 109.238 108.800 -0.988 0.000 2.408 988 G HA2 -0.009 3.958 3.960 0.012 0.000 0.215 988 G HA3 -0.009 3.958 3.960 0.012 0.000 0.215 988 G C 0.074 174.206 174.900 -1.279 0.000 1.156 988 G CA 0.498 44.915 45.100 -1.138 0.000 0.793 988 G HN 0.369 nan 8.290 nan 0.000 0.535 989 F N -1.803 117.941 119.950 -0.343 0.000 2.591 989 F HA 0.599 5.133 4.527 0.011 0.000 0.309 989 F C -0.552 175.135 175.800 -0.189 0.000 1.098 989 F CA -1.159 56.713 58.000 -0.214 0.000 0.937 989 F CB 2.183 40.969 39.000 -0.356 0.000 1.250 989 F HN 0.038 nan 8.300 nan 0.000 0.447 990 H N 2.127 121.189 119.070 -0.013 0.000 2.865 990 H HA 0.529 5.092 4.556 0.012 0.000 0.362 990 H C -0.860 174.490 175.328 0.036 0.000 1.114 990 H CA -0.861 55.162 56.048 -0.043 0.000 1.208 990 H CB 1.833 31.551 29.762 -0.073 0.000 1.727 990 H HN 0.776 nan 8.280 nan 0.000 0.534 991 M N 3.468 123.000 119.600 -0.114 0.000 2.240 991 M HA 0.313 4.800 4.480 0.012 0.000 0.333 991 M C 0.459 176.870 176.300 0.185 0.000 1.110 991 M CA 0.211 55.529 55.300 0.029 0.000 1.173 991 M CB 0.422 32.951 32.600 -0.119 0.000 1.458 991 M HN 0.834 nan 8.290 nan 0.000 0.458 992 G N 2.742 111.636 108.800 0.156 0.000 2.664 992 G HA2 0.258 4.225 3.960 0.012 0.000 0.242 992 G HA3 0.258 4.225 3.960 0.012 0.000 0.242 992 G C 0.626 175.515 174.900 -0.018 0.000 1.225 992 G CA -0.379 44.750 45.100 0.047 0.000 0.849 992 G HN 0.979 nan 8.290 nan 0.000 0.581 993 I N -1.308 119.206 120.570 -0.093 0.000 3.645 993 I HA 0.389 4.566 4.170 0.012 0.000 0.300 993 I C 1.220 177.269 176.117 -0.114 0.000 1.260 993 I CA 0.489 61.695 61.300 -0.157 0.000 1.365 993 I CB -0.607 37.206 38.000 -0.312 0.000 1.077 993 I HN 0.929 nan 8.210 nan 0.000 0.439 994 G N 1.630 110.385 108.800 -0.076 0.000 2.645 994 G HA2 0.014 3.981 3.960 0.012 0.000 0.246 994 G HA3 0.014 3.981 3.960 0.012 0.000 0.246 994 G C 0.594 175.490 174.900 -0.007 0.000 1.322 994 G CA 0.131 45.222 45.100 -0.015 0.000 0.898 994 G HN 1.429 nan 8.290 nan 0.000 0.573 995 G N -2.294 106.516 108.800 0.017 0.000 2.273 995 G HA2 -0.011 3.956 3.960 0.012 0.000 0.162 995 G HA3 -0.011 3.956 3.960 0.012 0.000 0.162 995 G C 0.641 175.600 174.900 0.098 0.000 1.006 995 G CA 0.908 46.028 45.100 0.034 0.000 0.704 995 G HN 1.010 nan 8.290 nan 0.000 0.487 996 D N 1.177 121.653 120.400 0.126 0.000 2.190 996 D HA 0.103 4.750 4.640 0.012 0.000 0.200 996 D C 1.040 177.379 176.300 0.065 0.000 0.992 996 D CA 2.103 56.246 54.000 0.238 0.000 0.854 996 D CB 0.137 41.075 40.800 0.230 0.000 0.936 996 D HN 0.844 nan 8.370 nan 0.000 0.462 997 D N -3.583 116.658 120.400 -0.265 0.000 2.639 997 D HA 0.330 4.977 4.640 0.012 0.000 0.271 997 D C -0.732 175.107 176.300 -0.768 0.000 1.254 997 D CA -0.723 52.704 54.000 -0.956 0.000 0.810 997 D CB 0.961 40.617 40.800 -1.907 0.000 1.351 997 D HN -0.309 nan 8.370 nan 0.000 0.427 998 S N -0.481 114.632 115.700 -0.979 0.000 2.664 998 S HA 0.226 4.703 4.470 0.012 0.000 0.245 998 S C -0.516 174.143 174.600 0.098 0.000 1.019 998 S CA -0.672 57.426 58.200 -0.170 0.000 0.996 998 S CB -0.443 62.919 63.200 0.270 0.000 0.878 998 S HN 0.622 nan 8.310 nan 0.000 0.493 999 W N 1.257 122.508 121.300 -0.080 0.000 2.284 999 W HA 0.556 5.222 4.660 0.011 0.000 0.334 999 W C 0.086 176.559 176.519 -0.076 0.000 0.917 999 W CA -0.548 56.744 57.345 -0.089 0.000 1.621 999 W CB -0.504 28.821 29.460 -0.226 0.000 1.129 999 W HN 0.168 nan 8.180 nan 0.000 0.528 1000 S N -1.244 114.356 115.700 -0.166 0.000 2.625 1000 S HA 0.657 5.134 4.470 0.012 0.000 0.271 1000 S C -3.183 171.365 174.600 -0.086 0.000 1.161 1000 S CA -1.661 56.478 58.200 -0.101 0.000 0.820 1000 S CB 1.653 64.799 63.200 -0.090 0.000 1.137 1000 S HN -0.235 nan 8.310 nan 0.000 0.470 1001 P HA 0.275 nan 4.420 nan 0.000 0.271 1001 P C 0.279 177.627 177.300 0.079 0.000 1.226 1001 P CA -0.160 62.966 63.100 0.044 0.000 0.765 1001 P CB 0.882 32.535 31.700 -0.079 0.000 0.835 1002 S N 0.820 116.600 115.700 0.133 0.000 2.733 1002 S HA 0.137 4.614 4.470 0.012 0.000 0.247 1002 S C 0.258 174.934 174.600 0.128 0.000 1.043 1002 S CA -0.263 57.985 58.200 0.080 0.000 1.066 1002 S CB -0.234 62.956 63.200 -0.016 0.000 1.045 1002 S HN 0.107 nan 8.310 nan 0.000 0.586 1003 V N 2.822 122.849 119.914 0.188 0.000 2.508 1003 V HA 0.381 4.508 4.120 0.012 0.000 0.281 1003 V C 0.813 177.042 176.094 0.225 0.000 1.041 1003 V CA -0.295 62.098 62.300 0.155 0.000 1.016 1003 V CB 1.100 32.950 31.823 0.045 0.000 0.984 1003 V HN 0.496 nan 8.190 nan 0.000 0.478 1004 S N 3.709 119.559 115.700 0.251 0.000 2.572 1004 S HA 0.328 4.805 4.470 0.012 0.000 0.279 1004 S C 1.499 176.242 174.600 0.239 0.000 1.341 1004 S CA 0.052 58.401 58.200 0.249 0.000 1.043 1004 S CB 1.175 64.559 63.200 0.306 0.000 0.887 1004 S HN 0.987 nan 8.310 nan 0.000 0.516 1005 A N 3.621 126.541 122.820 0.166 0.000 1.917 1005 A HA -0.167 4.160 4.320 0.012 0.000 0.219 1005 A C 2.019 179.643 177.584 0.067 0.000 1.182 1005 A CA 1.943 54.066 52.037 0.142 0.000 0.633 1005 A CB -0.763 18.299 19.000 0.103 0.000 0.819 1005 A HN 0.969 nan 8.150 nan 0.000 0.448 1006 E N -0.802 119.378 120.200 -0.034 0.000 2.401 1006 E HA -0.158 4.199 4.350 0.012 0.000 0.199 1006 E C 0.926 177.300 176.600 -0.376 0.000 1.023 1006 E CA 0.965 57.230 56.400 -0.225 0.000 0.859 1006 E CB -0.459 29.037 29.700 -0.340 0.000 0.780 1006 E HN 0.697 nan 8.360 nan 0.000 0.523 1007 F N 1.002 120.999 119.950 0.079 0.000 2.678 1007 F HA 0.258 4.792 4.527 0.011 0.000 0.305 1007 F C 0.945 176.777 175.800 0.053 0.000 1.090 1007 F CA -0.476 57.571 58.000 0.077 0.000 1.272 1007 F CB 0.530 39.576 39.000 0.076 0.000 1.060 1007 F HN -0.183 nan 8.300 nan 0.000 0.576 1008 Q N 1.213 121.112 119.800 0.165 0.000 2.235 1008 Q HA 0.384 4.731 4.340 0.012 0.000 0.250 1008 Q C -0.226 175.796 176.000 0.037 0.000 0.909 1008 Q CA -0.480 55.394 55.803 0.118 0.000 0.910 1008 Q CB 1.787 30.682 28.738 0.262 0.000 1.223 1008 Q HN 0.242 nan 8.270 nan 0.000 0.432 1009 L N 2.526 123.762 121.223 0.023 0.000 2.399 1009 L HA 0.105 4.452 4.340 0.012 0.000 0.257 1009 L C 0.448 177.286 176.870 -0.052 0.000 1.236 1009 L CA -0.046 54.805 54.840 0.018 0.000 1.144 1009 L CB -0.322 41.646 42.059 -0.151 0.000 1.379 1009 L HN 0.687 nan 8.230 nan 0.000 0.414 1010 S N -1.153 114.422 115.700 -0.208 0.000 2.602 1010 S HA 0.180 4.657 4.470 0.012 0.000 0.240 1010 S C 1.534 176.064 174.600 -0.117 0.000 0.992 1010 S CA 0.111 58.029 58.200 -0.471 0.000 0.971 1010 S CB 0.829 63.564 63.200 -0.775 0.000 0.855 1010 S HN 0.516 nan 8.310 nan 0.000 0.481 1011 A N 1.451 124.238 122.820 -0.055 0.000 2.121 1011 A HA 0.443 4.770 4.320 0.012 0.000 0.218 1011 A C 2.112 179.539 177.584 -0.263 0.000 1.154 1011 A CA 1.165 53.020 52.037 -0.304 0.000 0.679 1011 A CB -1.245 17.339 19.000 -0.694 0.000 0.795 1011 A HN 1.470 nan 8.150 nan 0.000 0.458 1012 G N -1.316 107.444 108.800 -0.066 0.000 2.708 1012 G HA2 -0.309 3.658 3.960 0.012 0.000 0.229 1012 G HA3 -0.309 3.658 3.960 0.012 0.000 0.229 1012 G C 0.487 175.376 174.900 -0.019 0.000 1.236 1012 G CA 0.530 45.634 45.100 0.007 0.000 0.749 1012 G HN 0.689 nan 8.290 nan 0.000 0.515 1013 R N -0.543 119.816 120.500 -0.235 0.000 2.561 1013 R HA 0.677 5.024 4.340 0.012 0.000 0.297 1013 R C -1.591 174.448 176.300 -0.435 0.000 0.969 1013 R CA -0.591 55.413 56.100 -0.160 0.000 0.879 1013 R CB 1.518 31.761 30.300 -0.094 0.000 1.178 1013 R HN 0.251 nan 8.270 nan 0.000 0.445 1014 Y N 0.471 120.751 120.300 -0.032 0.000 2.442 1014 Y HA 0.316 4.873 4.550 0.011 0.000 0.344 1014 Y C -0.477 175.542 175.900 0.197 0.000 0.976 1014 Y CA -0.818 57.213 58.100 -0.115 0.000 1.040 1014 Y CB 2.130 40.369 38.460 -0.367 0.000 1.228 1014 Y HN 0.577 nan 8.280 nan 0.000 0.451 1015 H N 3.250 122.556 119.070 0.394 0.000 2.589 1015 H HA 0.602 5.165 4.556 0.012 0.000 0.351 1015 H C -1.672 174.043 175.328 0.644 0.000 1.074 1015 H CA -0.887 55.404 56.048 0.405 0.000 1.203 1015 H CB 1.034 30.937 29.762 0.235 0.000 1.558 1015 H HN 0.588 nan 8.280 nan 0.000 0.522 1016 Y N 1.515 121.600 120.300 -0.359 0.000 2.625 1016 Y HA 0.510 5.067 4.550 0.012 0.000 0.338 1016 Y C -1.918 173.797 175.900 -0.309 0.000 1.123 1016 Y CA -1.159 56.843 58.100 -0.164 0.000 1.046 1016 Y CB 1.468 39.948 38.460 0.032 0.000 1.299 1016 Y HN 0.701 nan 8.280 nan 0.000 0.464 1017 Q N 2.598 122.404 119.800 0.010 0.000 2.340 1017 Q HA 0.784 5.131 4.340 0.012 0.000 0.276 1017 Q C -2.120 173.967 176.000 0.145 0.000 1.048 1017 Q CA -1.032 54.758 55.803 -0.020 0.000 0.832 1017 Q CB 3.254 32.030 28.738 0.063 0.000 1.373 1017 Q HN 0.825 nan 8.270 nan 0.000 0.409 1018 L N 0.792 122.088 121.223 0.121 0.000 2.376 1018 L HA 0.768 5.115 4.340 0.012 0.000 0.258 1018 L C -1.042 175.953 176.870 0.209 0.000 1.013 1018 L CA -1.289 53.669 54.840 0.197 0.000 0.822 1018 L CB 2.690 44.854 42.059 0.175 0.000 1.388 1018 L HN 0.455 nan 8.230 nan 0.000 0.413 1019 V N 0.649 120.712 119.914 0.249 0.000 2.444 1019 V HA 0.393 4.520 4.120 0.012 0.000 0.294 1019 V C -1.341 174.935 176.094 0.303 0.000 1.022 1019 V CA -0.401 62.050 62.300 0.251 0.000 0.850 1019 V CB 2.137 34.077 31.823 0.195 0.000 0.992 1019 V HN 0.589 nan 8.190 nan 0.000 0.426 1020 W N 7.002 128.369 121.300 0.110 0.000 2.376 1020 W HA 0.700 5.367 4.660 0.012 0.000 0.312 1020 W C -0.157 176.356 176.519 -0.009 0.000 1.060 1020 W CA -1.058 56.262 57.345 -0.042 0.000 1.221 1020 W CB 1.396 30.907 29.460 0.084 0.000 1.281 1020 W HN 0.866 nan 8.180 nan 0.000 0.456 1021 C N 4.369 123.864 119.300 0.326 0.000 3.336 1021 C HA 0.659 5.126 4.460 0.012 0.000 0.352 1021 C C -0.157 174.915 174.990 0.136 0.000 1.567 1021 C CA -0.663 58.485 59.018 0.216 0.000 1.328 1021 C CB 1.796 29.621 27.740 0.142 0.000 1.922 1021 C HN 0.723 nan 8.230 nan 0.000 0.439 1022 Q N 0.867 120.706 119.800 0.066 0.000 2.633 1022 Q HA 0.777 5.124 4.340 0.012 0.000 0.208 1022 Q C -1.224 174.758 176.000 -0.030 0.000 1.010 1022 Q CA -0.176 55.618 55.803 -0.015 0.000 0.982 1022 Q CB 1.873 30.581 28.738 -0.049 0.000 1.334 1022 Q HN 0.993 nan 8.270 nan 0.000 0.508 1023 K N 0.000 120.364 120.400 -0.061 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.257 56.287 -0.051 0.000 0.838 1023 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543