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 3i3b_1_D 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 LILCEYAHAA GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.085 176.300 -0.358 0.000 0.893 13 R CA 0.000 55.966 56.100 -0.224 0.000 0.921 13 R CB 0.000 30.174 30.300 -0.211 0.000 0.687 14 R N 1.478 121.636 120.500 -0.570 0.000 3.188 14 R HA -0.167 4.180 4.340 0.013 0.000 0.247 14 R C -0.410 175.354 176.300 -0.893 0.000 0.918 14 R CA 0.797 56.117 56.100 -1.300 0.000 0.629 14 R CB -1.245 28.487 30.300 -0.946 0.000 1.087 14 R HN 0.286 nan 8.270 nan 0.000 0.462 15 D N -0.075 119.999 120.400 -0.542 0.000 2.310 15 D HA -0.155 4.493 4.640 0.013 0.000 0.212 15 D C 1.618 177.820 176.300 -0.162 0.000 0.965 15 D CA 1.523 55.288 54.000 -0.392 0.000 0.879 15 D CB -0.096 40.305 40.800 -0.665 0.000 0.921 15 D HN 0.727 nan 8.370 nan 0.000 0.510 16 W N 1.349 122.655 121.300 0.010 0.000 3.204 16 W HA 0.196 4.864 4.660 0.013 0.000 0.249 16 W C 0.488 177.110 176.519 0.172 0.000 1.322 16 W CA -0.216 57.251 57.345 0.202 0.000 1.593 16 W CB -0.211 29.410 29.460 0.269 0.000 1.122 16 W HN -0.198 nan 8.180 nan 0.000 0.710 17 E N 1.032 121.114 120.200 -0.196 0.000 3.306 17 E HA 0.047 4.405 4.350 0.013 0.000 0.197 17 E C -0.699 175.762 176.600 -0.232 0.000 0.980 17 E CA -0.188 56.127 56.400 -0.142 0.000 1.259 17 E CB -0.174 29.429 29.700 -0.162 0.000 1.112 17 E HN 0.010 nan 8.360 nan 0.000 0.458 18 N N 1.317 119.909 118.700 -0.180 0.000 2.581 18 N HA 0.131 4.879 4.740 0.013 0.000 0.279 18 N C -2.191 173.180 175.510 -0.231 0.000 1.124 18 N CA -1.934 50.976 53.050 -0.234 0.000 0.833 18 N CB 1.560 39.921 38.487 -0.209 0.000 1.338 18 N HN -0.131 nan 8.380 nan 0.000 0.533 19 P HA -0.003 nan 4.420 nan 0.000 0.228 19 P C 1.046 178.114 177.300 -0.387 0.000 1.151 19 P CA 0.673 63.437 63.100 -0.561 0.000 0.770 19 P CB 0.226 31.122 31.700 -1.339 0.000 0.786 20 G N -0.233 108.385 108.800 -0.305 0.000 2.623 20 G HA2 0.038 4.006 3.960 0.013 0.000 0.214 20 G HA3 0.038 4.006 3.960 0.013 0.000 0.214 20 G C 0.450 175.278 174.900 -0.121 0.000 1.138 20 G CA 0.145 45.120 45.100 -0.209 0.000 0.794 20 G HN 0.216 nan 8.290 nan 0.000 0.535 21 V N 1.909 121.769 119.914 -0.089 0.000 2.284 21 V HA 0.271 4.399 4.120 0.013 0.000 0.274 21 V C 0.855 177.014 176.094 0.107 0.000 1.023 21 V CA 0.130 62.431 62.300 0.001 0.000 0.808 21 V CB 1.031 32.838 31.823 -0.027 0.000 1.035 21 V HN 0.326 nan 8.190 nan 0.000 0.445 22 T N 0.538 115.143 114.554 0.085 0.000 3.069 22 T HA 0.408 4.766 4.350 0.013 0.000 0.252 22 T C 0.224 174.963 174.700 0.064 0.000 1.053 22 T CA -0.018 62.134 62.100 0.087 0.000 0.964 22 T CB 0.202 69.078 68.868 0.014 0.000 1.005 22 T HN 0.712 nan 8.240 nan 0.000 0.532 23 Q N 0.194 120.091 119.800 0.163 0.000 2.959 23 Q HA 0.596 4.944 4.340 0.013 0.000 0.288 23 Q C -2.392 173.748 176.000 0.234 0.000 0.911 23 Q CA -0.999 54.890 55.803 0.144 0.000 0.800 23 Q CB 0.426 29.170 28.738 0.009 0.000 1.645 23 Q HN 0.218 nan 8.270 nan 0.000 0.454 24 L N 1.810 123.193 121.223 0.267 0.000 2.528 24 L HA 0.605 4.953 4.340 0.013 0.000 0.267 24 L C -0.662 176.332 176.870 0.207 0.000 0.961 24 L CA -0.841 54.161 54.840 0.270 0.000 0.866 24 L CB 1.835 44.164 42.059 0.450 0.000 1.248 24 L HN 0.848 nan 8.230 nan 0.000 0.404 25 N N 0.979 119.769 118.700 0.150 0.000 2.782 25 N HA -0.198 4.550 4.740 0.013 0.000 0.251 25 N C 0.175 175.769 175.510 0.140 0.000 1.101 25 N CA 0.765 53.888 53.050 0.123 0.000 0.764 25 N CB -0.723 37.793 38.487 0.048 0.000 1.122 25 N HN 0.672 nan 8.380 nan 0.000 0.561 26 R N 0.974 121.491 120.500 0.028 0.000 2.390 26 R HA 0.386 4.734 4.340 0.013 0.000 0.291 26 R C 0.579 176.753 176.300 -0.210 0.000 1.070 26 R CA -0.356 55.559 56.100 -0.309 0.000 1.014 26 R CB 0.556 30.657 30.300 -0.331 0.000 1.007 26 R HN 0.129 nan 8.270 nan 0.000 0.466 27 L N 2.997 124.061 121.223 -0.265 0.000 2.464 27 L HA 0.259 4.607 4.340 0.013 0.000 0.264 27 L C 0.680 177.496 176.870 -0.090 0.000 1.199 27 L CA -0.460 54.310 54.840 -0.116 0.000 0.818 27 L CB 0.744 42.758 42.059 -0.073 0.000 1.102 27 L HN 0.777 nan 8.230 nan 0.000 0.473 28 A N 1.481 124.289 122.820 -0.020 0.000 2.445 28 A HA 0.496 4.824 4.320 0.013 0.000 0.242 28 A C 0.287 177.879 177.584 0.013 0.000 1.075 28 A CA -0.042 51.992 52.037 -0.005 0.000 0.777 28 A CB 0.230 19.248 19.000 0.029 0.000 1.013 28 A HN 0.792 nan 8.150 nan 0.000 0.493 29 A N 1.378 124.159 122.820 -0.065 0.000 2.386 29 A HA 0.652 4.979 4.320 0.013 0.000 0.248 29 A C 0.111 177.608 177.584 -0.145 0.000 1.082 29 A CA 0.515 52.441 52.037 -0.184 0.000 0.789 29 A CB -0.134 18.755 19.000 -0.184 0.000 1.025 29 A HN 1.874 nan 8.150 nan 0.000 0.490 30 H N -1.963 116.952 119.070 -0.259 0.000 2.950 30 H HA 0.639 5.203 4.556 0.013 0.000 0.307 30 H C -3.433 171.598 175.328 -0.494 0.000 1.403 30 H CA -1.846 53.981 56.048 -0.368 0.000 1.145 30 H CB 0.060 29.509 29.762 -0.522 0.000 1.844 30 H HN 0.369 nan 8.280 nan 0.000 0.515 31 P HA 0.205 nan 4.420 nan 0.000 0.272 31 P C -2.586 174.510 177.300 -0.341 0.000 1.240 31 P CA -1.316 61.556 63.100 -0.381 0.000 0.791 31 P CB -0.112 31.305 31.700 -0.473 0.000 0.978 32 P HA 0.018 nan 4.420 nan 0.000 0.261 32 P C -0.890 176.608 177.300 0.331 0.000 1.183 32 P CA 1.066 64.193 63.100 0.046 0.000 0.761 32 P CB -0.108 31.662 31.700 0.117 0.000 0.785 33 F N 1.971 122.013 119.950 0.153 0.000 2.538 33 F HA 0.631 5.166 4.527 0.013 0.000 0.325 33 F C 0.981 176.699 175.800 -0.137 0.000 1.066 33 F CA -1.481 56.552 58.000 0.055 0.000 0.946 33 F CB 1.327 40.326 39.000 -0.003 0.000 1.199 33 F HN 0.295 nan 8.300 nan 0.000 0.473 34 A N 0.150 122.874 122.820 -0.161 0.000 2.530 34 A HA 0.316 4.644 4.320 0.013 0.000 0.214 34 A C 0.683 177.960 177.584 -0.511 0.000 1.352 34 A CA 0.624 52.322 52.037 -0.564 0.000 1.035 34 A CB -0.321 17.802 19.000 -1.463 0.000 1.296 34 A HN 0.864 nan 8.150 nan 0.000 0.563 35 S N 0.417 115.931 115.700 -0.310 0.000 3.550 35 S HA -0.150 4.328 4.470 0.013 0.000 0.372 35 S C -0.059 174.482 174.600 -0.099 0.000 0.966 35 S CA 0.415 58.499 58.200 -0.192 0.000 1.229 35 S CB -1.624 61.460 63.200 -0.194 0.000 0.917 35 S HN 0.463 nan 8.310 nan 0.000 0.496 36 W N 1.736 123.022 121.300 -0.024 0.000 2.193 36 W HA 0.210 4.877 4.660 0.013 0.000 0.338 36 W C 1.292 177.800 176.519 -0.020 0.000 1.310 36 W CA -0.505 56.835 57.345 -0.007 0.000 1.243 36 W CB 0.236 29.688 29.460 -0.014 0.000 1.165 36 W HN 0.349 nan 8.180 nan 0.000 0.566 37 R N 1.977 122.614 120.500 0.229 0.000 2.509 37 R HA 0.072 4.420 4.340 0.013 0.000 0.300 37 R C -0.031 176.335 176.300 0.109 0.000 0.985 37 R CA -0.131 56.047 56.100 0.130 0.000 1.092 37 R CB -0.276 30.085 30.300 0.101 0.000 1.237 37 R HN 0.334 nan 8.270 nan 0.000 0.546 38 N N 0.134 118.909 118.700 0.125 0.000 2.480 38 N HA 0.112 4.860 4.740 0.013 0.000 0.289 38 N C -0.027 175.465 175.510 -0.030 0.000 1.073 38 N CA 0.007 53.083 53.050 0.044 0.000 0.885 38 N CB 1.675 40.190 38.487 0.046 0.000 1.421 38 N HN -0.254 nan 8.380 nan 0.000 0.503 39 S N 2.270 117.932 115.700 -0.064 0.000 2.387 39 S HA -0.191 4.287 4.470 0.013 0.000 0.230 39 S C 1.399 175.844 174.600 -0.259 0.000 1.035 39 S CA 1.363 59.481 58.200 -0.137 0.000 1.014 39 S CB 0.029 63.173 63.200 -0.093 0.000 0.836 39 S HN 0.732 nan 8.310 nan 0.000 0.466 40 E N 1.384 121.448 120.200 -0.227 0.000 2.106 40 E HA -0.112 4.246 4.350 0.013 0.000 0.192 40 E C 1.888 178.289 176.600 -0.331 0.000 0.984 40 E CA 1.032 57.260 56.400 -0.288 0.000 0.806 40 E CB -0.136 29.449 29.700 -0.192 0.000 0.750 40 E HN 0.294 nan 8.360 nan 0.000 0.458 41 E N 0.026 120.054 120.200 -0.288 0.000 2.150 41 E HA -0.099 4.259 4.350 0.013 0.000 0.193 41 E C 1.911 178.007 176.600 -0.841 0.000 0.985 41 E CA 1.038 57.246 56.400 -0.320 0.000 0.814 41 E CB -0.346 29.328 29.700 -0.044 0.000 0.752 41 E HN 0.374 nan 8.360 nan 0.000 0.466 42 A N 1.443 123.566 122.820 -1.162 0.000 1.897 42 A HA -0.150 4.178 4.320 0.013 0.000 0.215 42 A C 2.235 179.200 177.584 -1.031 0.000 1.181 42 A CA 1.428 52.376 52.037 -1.815 0.000 0.620 42 A CB -0.413 17.987 19.000 -1.000 0.000 0.821 42 A HN 0.116 nan 8.150 nan 0.000 0.443 43 R N -0.076 120.017 120.500 -0.678 0.000 2.073 43 R HA -0.140 4.208 4.340 0.013 0.000 0.234 43 R C 2.146 178.186 176.300 -0.433 0.000 1.134 43 R CA 2.195 57.956 56.100 -0.566 0.000 0.952 43 R CB -0.572 29.265 30.300 -0.771 0.000 0.850 43 R HN 0.613 nan 8.270 nan 0.000 0.433 44 T N -2.215 112.101 114.554 -0.398 0.000 3.160 44 T HA -0.045 4.313 4.350 0.013 0.000 0.257 44 T C 0.437 175.033 174.700 -0.173 0.000 1.147 44 T CA 0.797 62.750 62.100 -0.244 0.000 1.064 44 T CB -0.167 68.586 68.868 -0.191 0.000 0.949 44 T HN 0.453 nan 8.240 nan 0.000 0.526 45 D N 0.613 120.848 120.400 -0.275 0.000 2.837 45 D HA -0.169 4.479 4.640 0.013 0.000 0.230 45 D C 0.103 176.498 176.300 0.158 0.000 1.152 45 D CA 0.448 54.411 54.000 -0.062 0.000 0.736 45 D CB -1.145 39.687 40.800 0.053 0.000 1.084 45 D HN 0.592 nan 8.370 nan 0.000 0.429 46 R N -0.196 120.368 120.500 0.107 0.000 2.580 46 R HA 0.505 4.853 4.340 0.013 0.000 0.267 46 R C -2.102 174.452 176.300 0.425 0.000 1.125 46 R CA -1.413 54.805 56.100 0.197 0.000 1.188 46 R CB 0.166 30.525 30.300 0.098 0.000 1.155 46 R HN 0.072 nan 8.270 nan 0.000 0.586 47 P HA -0.045 nan 4.420 nan 0.000 0.267 47 P C -0.901 176.557 177.300 0.263 0.000 1.200 47 P CA 0.322 63.564 63.100 0.237 0.000 0.772 47 P CB 0.711 32.496 31.700 0.143 0.000 0.855 48 S N 1.298 117.038 115.700 0.067 0.000 2.449 48 S HA 0.155 4.633 4.470 0.013 0.000 0.310 48 S C 0.785 175.410 174.600 0.042 0.000 1.096 48 S CA -0.480 57.703 58.200 -0.027 0.000 1.095 48 S CB 0.546 63.450 63.200 -0.494 0.000 1.007 48 S HN 0.327 nan 8.310 nan 0.000 0.474 49 Q N 2.057 121.924 119.800 0.112 0.000 2.500 49 Q HA 0.004 4.352 4.340 0.013 0.000 0.213 49 Q C 0.943 177.098 176.000 0.259 0.000 0.974 49 Q CA 0.715 56.612 55.803 0.156 0.000 0.918 49 Q CB 0.145 28.976 28.738 0.154 0.000 0.980 49 Q HN 0.646 nan 8.270 nan 0.000 0.505 50 Q N -0.295 119.615 119.800 0.183 0.000 2.360 50 Q HA 0.098 4.446 4.340 0.013 0.000 0.202 50 Q C -0.249 175.840 176.000 0.148 0.000 0.915 50 Q CA 0.180 56.105 55.803 0.203 0.000 0.943 50 Q CB 0.541 29.293 28.738 0.023 0.000 1.064 50 Q HN 0.145 nan 8.270 nan 0.000 0.511 51 L N 0.985 122.278 121.223 0.117 0.000 2.345 51 L HA 0.391 4.739 4.340 0.013 0.000 0.274 51 L C -0.975 175.972 176.870 0.129 0.000 0.999 51 L CA -0.245 54.644 54.840 0.081 0.000 0.849 51 L CB 1.055 43.082 42.059 -0.053 0.000 1.220 51 L HN -0.168 nan 8.230 nan 0.000 0.422 52 R N 2.526 123.140 120.500 0.190 0.000 2.532 52 R HA 0.598 4.946 4.340 0.013 0.000 0.295 52 R C -0.556 175.783 176.300 0.066 0.000 0.968 52 R CA -0.691 55.485 56.100 0.126 0.000 0.916 52 R CB 1.961 32.341 30.300 0.133 0.000 1.124 52 R HN 0.657 nan 8.270 nan 0.000 0.463 53 S N 2.369 118.094 115.700 0.042 0.000 2.480 53 S HA 0.282 4.760 4.470 0.013 0.000 0.286 53 S C 0.589 175.207 174.600 0.031 0.000 1.180 53 S CA -0.691 57.525 58.200 0.027 0.000 1.075 53 S CB 0.556 63.777 63.200 0.034 0.000 0.996 53 S HN 0.563 nan 8.310 nan 0.000 0.487 54 L N 3.638 124.882 121.223 0.036 0.000 2.741 54 L HA 0.293 4.641 4.340 0.013 0.000 0.237 54 L C 0.133 177.176 176.870 0.289 0.000 1.178 54 L CA -0.357 54.540 54.840 0.096 0.000 0.973 54 L CB -0.399 41.689 42.059 0.050 0.000 1.255 54 L HN 0.519 nan 8.230 nan 0.000 0.498 55 N N 1.357 120.159 118.700 0.170 0.000 2.479 55 N HA 0.470 5.218 4.740 0.013 0.000 0.257 55 N C 0.622 176.264 175.510 0.219 0.000 1.232 55 N CA 0.937 54.086 53.050 0.166 0.000 0.920 55 N CB 1.316 39.834 38.487 0.053 0.000 1.105 55 N HN 0.313 nan 8.380 nan 0.000 0.444 56 G N 0.598 109.550 108.800 0.254 0.000 2.288 56 G HA2 -0.066 3.902 3.960 0.013 0.000 0.227 56 G HA3 -0.066 3.902 3.960 0.013 0.000 0.227 56 G C -1.598 173.520 174.900 0.364 0.000 1.339 56 G CA -0.815 44.429 45.100 0.240 0.000 1.057 56 G HN 0.459 nan 8.290 nan 0.000 0.470 57 E N 0.123 120.501 120.200 0.297 0.000 2.223 57 E HA 0.424 4.781 4.350 0.013 0.000 0.282 57 E C -0.935 175.916 176.600 0.417 0.000 1.046 57 E CA -0.040 56.547 56.400 0.310 0.000 0.857 57 E CB 1.014 30.817 29.700 0.173 0.000 1.055 57 E HN 0.343 nan 8.360 nan 0.000 0.409 58 W N 1.582 122.976 121.300 0.157 0.000 2.804 58 W HA 0.382 5.050 4.660 0.013 0.000 0.352 58 W C 0.197 176.842 176.519 0.209 0.000 1.153 58 W CA -0.763 56.706 57.345 0.206 0.000 1.119 58 W CB 0.774 30.416 29.460 0.303 0.000 1.448 58 W HN 0.162 nan 8.180 nan 0.000 0.600 59 R N 1.660 122.438 120.500 0.463 0.000 2.294 59 R HA 0.489 4.837 4.340 0.013 0.000 0.319 59 R C -1.406 175.121 176.300 0.379 0.000 0.984 59 R CA -0.824 55.478 56.100 0.336 0.000 0.861 59 R CB 0.841 31.292 30.300 0.251 0.000 1.104 59 R HN 0.424 nan 8.270 nan 0.000 0.451 60 F N 0.899 120.878 119.950 0.048 0.000 2.576 60 F HA 0.693 5.228 4.527 0.013 0.000 0.313 60 F C -1.325 174.316 175.800 -0.266 0.000 1.078 60 F CA -0.767 57.105 58.000 -0.214 0.000 0.921 60 F CB 2.058 40.819 39.000 -0.398 0.000 1.232 60 F HN 0.593 nan 8.300 nan 0.000 0.459 61 A N 4.553 126.509 122.820 -1.440 0.000 2.437 61 A HA 0.494 4.822 4.320 0.013 0.000 0.293 61 A C -2.356 174.248 177.584 -1.633 0.000 1.038 61 A CA -0.471 50.864 52.037 -1.169 0.000 0.708 61 A CB 0.421 19.034 19.000 -0.644 0.000 1.251 61 A HN 0.931 nan 8.150 nan 0.000 0.409 62 W N 2.840 123.255 121.300 -1.476 0.000 2.438 62 W HA 0.755 5.423 4.660 0.013 0.000 0.324 62 W C -1.712 174.147 176.519 -1.101 0.000 1.119 62 W CA -0.208 56.443 57.345 -1.157 0.000 1.221 62 W CB 0.944 30.026 29.460 -0.631 0.000 1.253 62 W HN 0.482 nan 8.180 nan 0.000 0.555 63 F N 6.318 125.482 119.950 -1.311 0.000 2.578 63 F HA 0.323 4.858 4.527 0.013 0.000 0.311 63 F C -1.237 173.605 175.800 -1.596 0.000 1.094 63 F CA -2.241 55.122 58.000 -1.062 0.000 0.923 63 F CB 1.999 40.572 39.000 -0.711 0.000 1.230 63 F HN 0.219 nan 8.300 nan 0.000 0.450 64 P HA 0.047 nan 4.420 nan 0.000 0.223 64 P C -0.234 176.916 177.300 -0.249 0.000 1.151 64 P CA 0.988 63.797 63.100 -0.485 0.000 0.787 64 P CB 0.782 32.484 31.700 0.003 0.000 0.788 65 A N -0.552 122.133 122.820 -0.226 0.000 2.612 65 A HA 0.518 4.846 4.320 0.013 0.000 0.293 65 A C -2.375 175.087 177.584 -0.203 0.000 1.075 65 A CA -1.116 50.837 52.037 -0.141 0.000 0.680 65 A CB 0.596 19.581 19.000 -0.026 0.000 1.279 65 A HN -0.263 nan 8.150 nan 0.000 0.411 66 P HA -0.138 nan 4.420 nan 0.000 0.220 66 P C 0.601 177.794 177.300 -0.177 0.000 1.148 66 P CA 1.454 64.409 63.100 -0.242 0.000 0.803 66 P CB 0.284 31.786 31.700 -0.331 0.000 0.782 67 E N 0.273 120.421 120.200 -0.087 0.000 2.338 67 E HA -0.017 4.341 4.350 0.013 0.000 0.197 67 E C 1.978 178.494 176.600 -0.140 0.000 1.007 67 E CA 1.063 57.425 56.400 -0.063 0.000 0.849 67 E CB -0.750 28.953 29.700 0.006 0.000 0.774 67 E HN 0.259 nan 8.360 nan 0.000 0.506 68 A N 0.313 123.006 122.820 -0.212 0.000 2.275 68 A HA 0.139 4.467 4.320 0.013 0.000 0.212 68 A C 0.496 177.694 177.584 -0.643 0.000 1.201 68 A CA -0.204 51.679 52.037 -0.257 0.000 0.843 68 A CB 0.352 19.298 19.000 -0.090 0.000 0.873 68 A HN 0.028 nan 8.150 nan 0.000 0.492 69 V N 3.697 123.156 119.914 -0.759 0.000 2.405 69 V HA 0.192 4.320 4.120 0.013 0.000 0.264 69 V C -2.020 173.731 176.094 -0.571 0.000 1.048 69 V CA -1.474 60.174 62.300 -1.087 0.000 0.966 69 V CB 0.670 31.986 31.823 -0.845 0.000 1.015 69 V HN 0.382 nan 8.190 nan 0.000 0.477 70 P HA 0.168 nan 4.420 nan 0.000 0.271 70 P C 0.525 177.764 177.300 -0.103 0.000 1.220 70 P CA -0.217 62.760 63.100 -0.205 0.000 0.768 70 P CB 1.189 32.817 31.700 -0.120 0.000 0.848 71 E N 1.847 121.995 120.200 -0.086 0.000 2.267 71 E HA -0.140 4.218 4.350 0.013 0.000 0.197 71 E C 1.813 178.378 176.600 -0.058 0.000 0.998 71 E CA 1.488 57.841 56.400 -0.078 0.000 0.830 71 E CB -0.487 29.169 29.700 -0.074 0.000 0.751 71 E HN 0.618 nan 8.360 nan 0.000 0.491 72 S N -0.019 115.668 115.700 -0.020 0.000 2.419 72 S HA -0.192 4.286 4.470 0.013 0.000 0.233 72 S C 1.774 176.384 174.600 0.017 0.000 1.016 72 S CA 0.869 59.065 58.200 -0.007 0.000 0.974 72 S CB -0.748 62.460 63.200 0.014 0.000 0.786 72 S HN 0.490 nan 8.310 nan 0.000 0.492 73 W N 2.391 123.602 121.300 -0.147 0.000 2.364 73 W HA 0.036 4.704 4.660 0.013 0.000 0.281 73 W C 1.586 178.004 176.519 -0.167 0.000 1.219 73 W CA 0.818 58.081 57.345 -0.138 0.000 1.220 73 W CB -0.394 28.962 29.460 -0.172 0.000 1.127 73 W HN 0.274 nan 8.180 nan 0.000 0.556 74 L N 0.354 121.329 121.223 -0.414 0.000 2.093 74 L HA -0.173 4.175 4.340 0.013 0.000 0.208 74 L C 2.527 179.158 176.870 -0.399 0.000 1.085 74 L CA 1.333 55.778 54.840 -0.660 0.000 0.755 74 L CB -0.713 40.992 42.059 -0.590 0.000 0.904 74 L HN -0.073 nan 8.230 nan 0.000 0.435 75 E N -0.794 119.269 120.200 -0.229 0.000 2.140 75 E HA -0.008 4.350 4.350 0.013 0.000 0.191 75 E C 0.599 177.132 176.600 -0.112 0.000 0.973 75 E CA 0.677 56.997 56.400 -0.133 0.000 0.829 75 E CB 0.303 29.957 29.700 -0.077 0.000 0.781 75 E HN 0.523 nan 8.360 nan 0.000 0.466 76 C N -0.255 118.983 119.300 -0.104 0.000 3.285 76 C HA 0.464 4.931 4.460 0.013 0.000 0.325 76 C C -0.586 174.400 174.990 -0.007 0.000 1.304 76 C CA -1.443 57.541 59.018 -0.056 0.000 1.319 76 C CB 1.107 28.834 27.740 -0.022 0.000 1.640 76 C HN 0.123 nan 8.230 nan 0.000 0.477 77 D N 0.994 121.410 120.400 0.027 0.000 2.533 77 D HA 0.265 4.913 4.640 0.013 0.000 0.236 77 D C -0.198 176.176 176.300 0.122 0.000 1.137 77 D CA 0.518 54.577 54.000 0.098 0.000 0.867 77 D CB 0.471 41.318 40.800 0.079 0.000 1.170 77 D HN 0.596 nan 8.370 nan 0.000 0.474 78 L N 6.154 127.490 121.223 0.188 0.000 2.281 78 L HA 0.234 4.582 4.340 0.013 0.000 0.285 78 L C -1.316 175.609 176.870 0.093 0.000 1.074 78 L CA -1.663 53.264 54.840 0.145 0.000 0.817 78 L CB 1.264 43.429 42.059 0.178 0.000 1.168 78 L HN 0.474 nan 8.230 nan 0.000 0.434 79 P HA -0.207 nan 4.420 nan 0.000 0.218 79 P C 0.697 178.021 177.300 0.040 0.000 1.146 79 P CA 1.181 64.311 63.100 0.049 0.000 0.820 79 P CB 0.323 32.046 31.700 0.039 0.000 0.778 80 E N -0.456 119.763 120.200 0.032 0.000 2.158 80 E HA 0.098 4.456 4.350 0.013 0.000 0.191 80 E C 1.093 177.692 176.600 -0.002 0.000 0.982 80 E CA 0.284 56.688 56.400 0.006 0.000 0.823 80 E CB -0.930 28.758 29.700 -0.020 0.000 0.766 80 E HN 0.161 nan 8.360 nan 0.000 0.468 81 A N 1.673 124.492 122.820 -0.002 0.000 2.547 81 A HA 0.026 4.354 4.320 0.013 0.000 0.233 81 A C 0.016 177.640 177.584 0.066 0.000 1.067 81 A CA 0.198 52.231 52.037 -0.005 0.000 0.763 81 A CB 0.129 19.150 19.000 0.035 0.000 1.007 81 A HN 0.001 nan 8.150 nan 0.000 0.506 82 D N -0.111 120.362 120.400 0.122 0.000 2.442 82 D HA 0.515 5.162 4.640 0.013 0.000 0.254 82 D C -0.516 175.895 176.300 0.184 0.000 1.069 82 D CA -0.059 54.037 54.000 0.160 0.000 1.017 82 D CB 1.206 42.143 40.800 0.228 0.000 1.172 82 D HN 0.430 nan 8.370 nan 0.000 0.561 83 T N 0.459 115.105 114.554 0.153 0.000 2.767 83 T HA 0.521 4.879 4.350 0.013 0.000 0.284 83 T C 0.053 174.841 174.700 0.147 0.000 0.973 83 T CA -0.585 61.613 62.100 0.162 0.000 0.996 83 T CB 0.881 69.819 68.868 0.117 0.000 0.927 83 T HN 0.297 nan 8.240 nan 0.000 0.456 84 V N 0.901 120.933 119.914 0.198 0.000 3.114 84 V HA 0.788 4.916 4.120 0.013 0.000 0.308 84 V C -0.342 175.878 176.094 0.210 0.000 1.168 84 V CA -1.132 61.249 62.300 0.134 0.000 1.015 84 V CB 1.514 33.431 31.823 0.156 0.000 1.050 84 V HN 0.550 nan 8.190 nan 0.000 0.433 85 V N 1.910 121.923 119.914 0.166 0.000 2.775 85 V HA 0.583 4.711 4.120 0.013 0.000 0.299 85 V C 0.103 176.285 176.094 0.146 0.000 1.062 85 V CA -0.074 62.323 62.300 0.161 0.000 1.063 85 V CB 1.248 33.128 31.823 0.095 0.000 0.994 85 V HN 0.781 nan 8.190 nan 0.000 0.483 86 V N 5.485 125.410 119.914 0.018 0.000 2.760 86 V HA 0.438 4.566 4.120 0.013 0.000 0.309 86 V C -2.322 173.672 176.094 -0.167 0.000 1.077 86 V CA -1.532 60.650 62.300 -0.196 0.000 0.910 86 V CB 2.635 34.024 31.823 -0.723 0.000 1.008 86 V HN 0.782 nan 8.190 nan 0.000 0.424 87 P HA 0.362 nan 4.420 nan 0.000 0.272 87 P C -0.682 176.549 177.300 -0.115 0.000 1.230 87 P CA 0.119 63.105 63.100 -0.191 0.000 0.788 87 P CB 1.380 32.977 31.700 -0.171 0.000 0.949 88 S N -0.158 115.482 115.700 -0.100 0.000 2.683 88 S HA 0.269 4.747 4.470 0.013 0.000 0.278 88 S C -1.442 173.064 174.600 -0.157 0.000 1.059 88 S CA -1.083 57.035 58.200 -0.137 0.000 0.847 88 S CB -0.206 62.871 63.200 -0.206 0.000 1.078 88 S HN 0.411 nan 8.310 nan 0.000 0.456 89 N N 1.302 119.860 118.700 -0.237 0.000 2.426 89 N HA 0.451 5.199 4.740 0.013 0.000 0.275 89 N C 0.655 175.977 175.510 -0.313 0.000 1.019 89 N CA -0.705 52.172 53.050 -0.288 0.000 0.941 89 N CB 0.551 38.842 38.487 -0.327 0.000 1.123 89 N HN 0.852 nan 8.380 nan 0.000 0.486 90 W N 2.215 123.354 121.300 -0.269 0.000 2.468 90 W HA -0.061 4.607 4.660 0.014 0.000 0.262 90 W C 0.874 177.367 176.519 -0.044 0.000 1.241 90 W CA 0.515 57.702 57.345 -0.263 0.000 1.232 90 W CB -0.367 28.920 29.460 -0.288 0.000 1.124 90 W HN 0.504 nan 8.180 nan 0.000 0.597 91 Q N 0.460 120.246 119.800 -0.023 0.000 2.224 91 Q HA -0.079 4.269 4.340 0.013 0.000 0.203 91 Q C 2.148 178.113 176.000 -0.058 0.000 0.970 91 Q CA 1.590 57.385 55.803 -0.014 0.000 0.865 91 Q CB -0.515 28.100 28.738 -0.205 0.000 0.922 91 Q HN 0.268 nan 8.270 nan 0.000 0.445 92 M N -0.884 118.643 119.600 -0.121 0.000 2.562 92 M HA -0.029 4.459 4.480 0.013 0.000 0.257 92 M C 0.683 177.051 176.300 0.113 0.000 1.099 92 M CA 1.301 56.556 55.300 -0.075 0.000 1.099 92 M CB -0.518 32.012 32.600 -0.116 0.000 1.427 92 M HN 0.378 nan 8.290 nan 0.000 0.489 93 H N -0.830 118.265 119.070 0.040 0.000 2.551 93 H HA 0.271 4.835 4.556 0.013 0.000 0.271 93 H C 1.192 176.425 175.328 -0.159 0.000 0.984 93 H CA 0.150 56.202 56.048 0.007 0.000 1.164 93 H CB 0.517 30.376 29.762 0.162 0.000 1.437 93 H HN 0.546 nan 8.280 nan 0.000 0.550 94 G N 0.598 109.408 108.800 0.016 0.000 2.132 94 G HA2 -0.341 3.627 3.960 0.013 0.000 0.234 94 G HA3 -0.341 3.627 3.960 0.013 0.000 0.234 94 G C 0.265 175.027 174.900 -0.230 0.000 0.989 94 G CA 0.206 45.242 45.100 -0.106 0.000 0.676 94 G HN 0.434 nan 8.290 nan 0.000 0.522 95 Y N 1.481 121.784 120.300 0.004 0.000 2.314 95 Y HA 0.275 4.833 4.550 0.013 0.000 0.293 95 Y C 1.636 177.270 175.900 -0.444 0.000 1.129 95 Y CA 1.674 59.648 58.100 -0.210 0.000 1.201 95 Y CB 0.266 38.677 38.460 -0.081 0.000 0.999 95 Y HN 0.681 nan 8.280 nan 0.000 0.541 96 D N -2.358 118.059 120.400 0.029 0.000 2.713 96 D HA 0.475 5.123 4.640 0.013 0.000 0.306 96 D C -1.224 175.144 176.300 0.113 0.000 1.299 96 D CA -0.799 53.214 54.000 0.022 0.000 0.823 96 D CB 0.616 41.521 40.800 0.175 0.000 1.353 96 D HN -0.054 nan 8.370 nan 0.000 0.447 97 A N 0.082 122.985 122.820 0.139 0.000 2.331 97 A HA 0.678 5.005 4.320 0.013 0.000 0.283 97 A C -2.263 175.377 177.584 0.093 0.000 1.142 97 A CA -1.128 50.994 52.037 0.142 0.000 0.812 97 A CB 0.055 19.194 19.000 0.232 0.000 1.074 97 A HN 0.538 nan 8.150 nan 0.000 0.497 98 P HA 0.422 nan 4.420 nan 0.000 0.278 98 P C -0.922 176.572 177.300 0.323 0.000 1.238 98 P CA 0.021 63.099 63.100 -0.037 0.000 0.794 98 P CB 0.967 32.364 31.700 -0.506 0.000 0.955 99 I N 2.913 123.731 120.570 0.413 0.000 2.406 99 I HA 0.237 4.415 4.170 0.013 0.000 0.290 99 I C -0.488 175.767 176.117 0.231 0.000 0.999 99 I CA -0.974 60.542 61.300 0.360 0.000 1.124 99 I CB 1.511 39.679 38.000 0.279 0.000 1.289 99 I HN 0.313 nan 8.210 nan 0.000 0.441 100 Y N 6.398 126.575 120.300 -0.204 0.000 2.478 100 Y HA 0.488 5.045 4.550 0.013 0.000 0.329 100 Y C -0.318 175.414 175.900 -0.281 0.000 0.967 100 Y CA -0.585 57.154 58.100 -0.601 0.000 1.255 100 Y CB 1.103 38.723 38.460 -1.399 0.000 1.103 100 Y HN 0.525 nan 8.280 nan 0.000 0.497 101 T N 4.822 118.907 114.554 -0.782 0.000 2.893 101 T HA 0.272 4.630 4.350 0.013 0.000 0.291 101 T C 0.279 174.571 174.700 -0.680 0.000 1.028 101 T CA -0.544 61.132 62.100 -0.708 0.000 0.995 101 T CB 1.167 69.840 68.868 -0.325 0.000 1.051 101 T HN 0.763 nan 8.240 nan 0.000 0.470 102 N N 2.615 120.973 118.700 -0.570 0.000 2.272 102 N HA 0.056 4.804 4.740 0.013 0.000 0.195 102 N C 1.520 176.847 175.510 -0.306 0.000 1.048 102 N CA 1.591 54.463 53.050 -0.297 0.000 0.912 102 N CB -0.644 37.761 38.487 -0.137 0.000 1.096 102 N HN 0.366 nan 8.380 nan 0.000 0.471 103 V N 0.161 119.824 119.914 -0.418 0.000 2.492 103 V HA 0.128 4.256 4.120 0.013 0.000 0.241 103 V C 0.347 176.164 176.094 -0.462 0.000 1.041 103 V CA 0.953 62.912 62.300 -0.569 0.000 1.057 103 V CB -0.731 30.620 31.823 -0.787 0.000 0.711 103 V HN 0.349 nan 8.190 nan 0.000 0.468 104 T N 1.320 115.666 114.554 -0.347 0.000 2.829 104 T HA 0.140 4.498 4.350 0.013 0.000 0.293 104 T C -0.348 174.237 174.700 -0.190 0.000 0.970 104 T CA 0.174 62.137 62.100 -0.228 0.000 1.168 104 T CB -0.329 68.438 68.868 -0.169 0.000 0.911 104 T HN 0.169 nan 8.240 nan 0.000 0.535 105 Y N 5.174 125.391 120.300 -0.139 0.000 2.702 105 Y HA 0.068 4.626 4.550 0.013 0.000 0.336 105 Y C -0.670 175.112 175.900 -0.197 0.000 1.235 105 Y CA -1.485 56.522 58.100 -0.156 0.000 1.492 105 Y CB 0.330 38.698 38.460 -0.154 0.000 1.308 105 Y HN 0.519 nan 8.280 nan 0.000 0.589 106 P HA -0.039 nan 4.420 nan 0.000 0.237 106 P C -0.258 176.835 177.300 -0.346 0.000 1.178 106 P CA 1.148 64.145 63.100 -0.171 0.000 0.766 106 P CB 0.026 31.665 31.700 -0.102 0.000 0.876 107 I N -5.038 115.301 120.570 -0.385 0.000 2.892 107 I HA 0.474 4.652 4.170 0.013 0.000 0.306 107 I C -0.545 175.447 176.117 -0.208 0.000 1.078 107 I CA -1.223 59.823 61.300 -0.423 0.000 1.032 107 I CB 1.838 39.427 38.000 -0.685 0.000 1.229 107 I HN -0.452 nan 8.210 nan 0.000 0.435 108 T N 3.110 117.585 114.554 -0.132 0.000 2.933 108 T HA 0.088 4.446 4.350 0.013 0.000 0.306 108 T C 0.266 174.954 174.700 -0.020 0.000 1.045 108 T CA -0.149 61.923 62.100 -0.045 0.000 1.143 108 T CB 0.485 69.347 68.868 -0.009 0.000 1.003 108 T HN 0.390 nan 8.240 nan 0.000 0.540 109 V N 4.877 124.796 119.914 0.008 0.000 2.352 109 V HA 0.211 4.339 4.120 0.013 0.000 0.253 109 V C 0.686 176.824 176.094 0.075 0.000 1.083 109 V CA -0.101 62.220 62.300 0.036 0.000 0.993 109 V CB -0.298 31.540 31.823 0.025 0.000 1.111 109 V HN 0.865 nan 8.190 nan 0.000 0.490 110 N N 5.882 124.677 118.700 0.159 0.000 2.666 110 N HA 0.237 4.985 4.740 0.013 0.000 0.253 110 N C -2.780 172.797 175.510 0.111 0.000 1.621 110 N CA -1.129 52.007 53.050 0.142 0.000 0.785 110 N CB 1.498 40.103 38.487 0.197 0.000 1.332 110 N HN 0.295 nan 8.380 nan 0.000 0.514 111 P HA 0.163 nan 4.420 nan 0.000 0.266 111 P C -2.104 174.994 177.300 -0.337 0.000 1.195 111 P CA -0.574 62.121 63.100 -0.675 0.000 0.768 111 P CB 0.865 32.034 31.700 -0.885 0.000 0.838 112 P HA 0.168 nan 4.420 nan 0.000 0.261 112 P C -0.206 177.025 177.300 -0.114 0.000 1.352 112 P CA -0.208 62.698 63.100 -0.323 0.000 0.891 112 P CB 0.095 31.568 31.700 -0.378 0.000 1.383 113 F N 1.493 121.546 119.950 0.171 0.000 2.450 113 F HA 0.225 4.760 4.527 0.014 0.000 0.339 113 F C 1.367 177.337 175.800 0.284 0.000 1.146 113 F CA -0.552 57.564 58.000 0.193 0.000 1.267 113 F CB 0.362 39.423 39.000 0.102 0.000 1.178 113 F HN -0.206 nan 8.300 nan 0.000 0.585 114 V N -0.768 119.423 119.914 0.461 0.000 3.074 114 V HA 0.696 4.824 4.120 0.013 0.000 0.314 114 V C -2.782 173.480 176.094 0.279 0.000 1.117 114 V CA -3.042 59.454 62.300 0.327 0.000 1.014 114 V CB 1.413 33.496 31.823 0.434 0.000 1.057 114 V HN 0.490 nan 8.190 nan 0.000 0.438 115 P HA 0.159 nan 4.420 nan 0.000 0.266 115 P C 1.106 178.555 177.300 0.248 0.000 1.195 115 P CA 0.610 63.810 63.100 0.167 0.000 0.768 115 P CB 0.583 32.351 31.700 0.113 0.000 0.838 116 T N -1.177 113.493 114.554 0.192 0.000 2.915 116 T HA -0.138 4.220 4.350 0.013 0.000 0.269 116 T C 0.731 175.543 174.700 0.187 0.000 1.071 116 T CA 0.747 62.964 62.100 0.196 0.000 1.132 116 T CB -0.456 68.490 68.868 0.130 0.000 0.878 116 T HN 0.431 nan 8.240 nan 0.000 0.479 117 E N 2.157 122.468 120.200 0.185 0.000 1.856 117 E HA 0.185 4.543 4.350 0.013 0.000 0.263 117 E C -0.767 175.993 176.600 0.267 0.000 1.137 117 E CA -0.422 56.091 56.400 0.188 0.000 1.007 117 E CB -0.244 29.568 29.700 0.186 0.000 1.117 117 E HN 0.290 nan 8.360 nan 0.000 0.438 118 N N 4.436 123.269 118.700 0.222 0.000 2.558 118 N HA 0.262 5.010 4.740 0.013 0.000 0.242 118 N C -2.803 172.743 175.510 0.060 0.000 0.979 118 N CA -2.472 50.737 53.050 0.266 0.000 0.931 118 N CB 1.165 39.804 38.487 0.253 0.000 1.122 118 N HN 0.111 nan 8.380 nan 0.000 0.508 119 P HA -0.045 nan 4.420 nan 0.000 0.257 119 P C -0.948 176.255 177.300 -0.161 0.000 1.162 119 P CA 0.660 63.749 63.100 -0.019 0.000 0.762 119 P CB 0.312 32.288 31.700 0.461 0.000 0.753 120 T N 3.220 117.420 114.554 -0.591 0.000 2.791 120 T HA 0.525 4.883 4.350 0.013 0.000 0.288 120 T C 0.393 174.605 174.700 -0.812 0.000 0.999 120 T CA -0.557 61.246 62.100 -0.495 0.000 0.952 120 T CB 1.358 69.981 68.868 -0.408 0.000 0.938 120 T HN 0.320 nan 8.240 nan 0.000 0.444 121 G N 1.149 109.534 108.800 -0.691 0.000 2.335 121 G HA2 0.477 4.445 3.960 0.013 0.000 0.316 121 G HA3 0.477 4.445 3.960 0.013 0.000 0.316 121 G C -0.311 174.381 174.900 -0.347 0.000 1.129 121 G CA -0.381 44.247 45.100 -0.786 0.000 0.899 121 G HN 0.849 nan 8.290 nan 0.000 0.448 122 C N 3.219 122.074 119.300 -0.742 0.000 2.239 122 C HA 0.470 4.938 4.460 0.013 0.000 0.323 122 C C -0.506 174.455 174.990 -0.048 0.000 1.205 122 C CA -1.001 57.717 59.018 -0.501 0.000 1.584 122 C CB -1.584 25.412 27.740 -1.239 0.000 2.201 122 C HN 0.635 nan 8.230 nan 0.000 0.475 123 Y N 1.908 122.484 120.300 0.461 0.000 2.376 123 Y HA 0.652 5.210 4.550 0.013 0.000 0.325 123 Y C 0.853 177.216 175.900 0.771 0.000 1.199 123 Y CA -0.146 58.347 58.100 0.655 0.000 1.206 123 Y CB 1.368 40.201 38.460 0.622 0.000 1.229 123 Y HN 0.682 nan 8.280 nan 0.000 0.480 124 S N 1.931 118.133 115.700 0.837 0.000 2.543 124 S HA 0.714 5.192 4.470 0.013 0.000 0.274 124 S C -2.021 172.658 174.600 0.131 0.000 1.149 124 S CA -0.805 57.662 58.200 0.445 0.000 0.866 124 S CB 1.780 65.174 63.200 0.322 0.000 1.111 124 S HN 0.606 nan 8.310 nan 0.000 0.457 125 L N 1.111 122.223 121.223 -0.185 0.000 2.455 125 L HA 0.781 5.129 4.340 0.013 0.000 0.264 125 L C -0.864 175.948 176.870 -0.097 0.000 0.968 125 L CA 0.129 54.711 54.840 -0.431 0.000 0.827 125 L CB 2.341 43.635 42.059 -1.275 0.000 1.317 125 L HN 0.914 nan 8.230 nan 0.000 0.407 126 T N 5.154 119.689 114.554 -0.033 0.000 2.795 126 T HA 0.769 5.126 4.350 0.013 0.000 0.282 126 T C -0.838 173.962 174.700 0.166 0.000 0.980 126 T CA 0.057 62.200 62.100 0.072 0.000 1.012 126 T CB 0.506 69.377 68.868 0.004 0.000 0.936 126 T HN 0.489 nan 8.240 nan 0.000 0.457 127 F N 0.984 120.863 119.950 -0.119 0.000 2.831 127 F HA 0.789 5.324 4.527 0.013 0.000 0.318 127 F C -1.625 174.124 175.800 -0.085 0.000 1.174 127 F CA -1.736 56.198 58.000 -0.111 0.000 0.918 127 F CB 0.999 39.922 39.000 -0.129 0.000 1.364 127 F HN 0.545 nan 8.300 nan 0.000 0.475 128 N N -0.338 118.190 118.700 -0.286 0.000 2.591 128 N HA 0.633 5.381 4.740 0.013 0.000 0.263 128 N C -1.620 173.764 175.510 -0.211 0.000 1.308 128 N CA -0.611 52.216 53.050 -0.372 0.000 0.837 128 N CB 2.255 40.604 38.487 -0.231 0.000 1.548 128 N HN 0.951 nan 8.380 nan 0.000 0.493 129 V N -2.834 116.942 119.914 -0.230 0.000 2.994 129 V HA 0.637 4.764 4.120 0.013 0.000 0.318 129 V C 0.021 175.901 176.094 -0.356 0.000 1.085 129 V CA -0.895 61.230 62.300 -0.292 0.000 0.998 129 V CB 1.404 33.154 31.823 -0.121 0.000 1.063 129 V HN 0.902 nan 8.190 nan 0.000 0.447 130 D N 0.680 120.696 120.400 -0.641 0.000 2.390 130 D HA 0.039 4.687 4.640 0.013 0.000 0.236 130 D C 1.111 177.270 176.300 -0.234 0.000 1.189 130 D CA 0.597 54.312 54.000 -0.475 0.000 0.887 130 D CB 1.115 41.511 40.800 -0.674 0.000 1.198 130 D HN 0.906 nan 8.370 nan 0.000 0.444 131 E N 0.893 121.022 120.200 -0.119 0.000 2.031 131 E HA -0.213 4.144 4.350 0.013 0.000 0.193 131 E C 1.850 178.472 176.600 0.036 0.000 0.994 131 E CA 2.139 58.519 56.400 -0.034 0.000 0.800 131 E CB -0.534 29.153 29.700 -0.021 0.000 0.752 131 E HN 0.464 nan 8.360 nan 0.000 0.447 132 S N -0.833 114.912 115.700 0.075 0.000 2.440 132 S HA -0.161 4.316 4.470 0.013 0.000 0.238 132 S C 1.777 176.509 174.600 0.220 0.000 1.010 132 S CA 1.025 59.318 58.200 0.154 0.000 0.972 132 S CB -0.803 62.507 63.200 0.185 0.000 0.774 132 S HN 0.385 nan 8.310 nan 0.000 0.501 133 W N 1.645 122.822 121.300 -0.205 0.000 2.436 133 W HA 0.339 5.007 4.660 0.013 0.000 0.284 133 W C 2.077 178.552 176.519 -0.073 0.000 1.225 133 W CA -0.354 56.778 57.345 -0.355 0.000 1.271 133 W CB -0.812 28.401 29.460 -0.411 0.000 1.114 133 W HN 0.298 nan 8.180 nan 0.000 0.559 134 L N -0.239 121.093 121.223 0.183 0.000 2.156 134 L HA -0.167 4.180 4.340 0.013 0.000 0.208 134 L C 2.392 179.326 176.870 0.107 0.000 1.095 134 L CA 1.062 55.976 54.840 0.123 0.000 0.770 134 L CB -0.772 41.325 42.059 0.064 0.000 0.914 134 L HN 0.046 nan 8.230 nan 0.000 0.439 135 Q N -0.166 119.699 119.800 0.108 0.000 1.941 135 Q HA -0.033 4.315 4.340 0.013 0.000 0.201 135 Q C 0.259 176.320 176.000 0.102 0.000 0.982 135 Q CA 0.917 56.774 55.803 0.091 0.000 0.839 135 Q CB 0.154 28.944 28.738 0.086 0.000 0.904 135 Q HN 0.385 nan 8.270 nan 0.000 0.427 136 E N -1.132 119.150 120.200 0.138 0.000 2.431 136 E HA 0.537 4.895 4.350 0.013 0.000 0.268 136 E C -0.077 176.640 176.600 0.194 0.000 0.953 136 E CA -0.112 56.364 56.400 0.127 0.000 0.810 136 E CB 1.559 31.314 29.700 0.093 0.000 1.369 136 E HN 0.339 nan 8.360 nan 0.000 0.440 137 G N 0.706 109.546 108.800 0.067 0.000 2.796 137 G HA2 -0.225 3.743 3.960 0.013 0.000 0.571 137 G HA3 -0.225 3.743 3.960 0.013 0.000 0.571 137 G C -0.781 174.082 174.900 -0.061 0.000 1.370 137 G CA -0.194 44.852 45.100 -0.090 0.000 0.856 137 G HN 0.487 nan 8.290 nan 0.000 0.538 138 Q N -0.187 119.467 119.800 -0.243 0.000 2.333 138 Q HA 0.612 4.960 4.340 0.013 0.000 0.265 138 Q C -0.727 175.225 176.000 -0.080 0.000 0.989 138 Q CA -0.447 55.294 55.803 -0.103 0.000 0.842 138 Q CB 1.100 29.770 28.738 -0.112 0.000 1.262 138 Q HN 0.583 nan 8.270 nan 0.000 0.451 139 T N 5.374 119.982 114.554 0.090 0.000 2.756 139 T HA 0.435 4.793 4.350 0.013 0.000 0.290 139 T C -0.543 174.233 174.700 0.126 0.000 0.985 139 T CA -0.596 61.576 62.100 0.120 0.000 0.955 139 T CB 0.432 69.463 68.868 0.272 0.000 0.930 139 T HN 0.631 nan 8.240 nan 0.000 0.451 140 R N 2.958 123.507 120.500 0.081 0.000 2.832 140 R HA 0.783 5.130 4.340 0.013 0.000 0.271 140 R C -1.069 175.300 176.300 0.115 0.000 0.996 140 R CA -0.991 55.172 56.100 0.106 0.000 0.977 140 R CB 1.495 31.834 30.300 0.065 0.000 1.168 140 R HN 0.550 nan 8.270 nan 0.000 0.482 141 I N 2.538 123.197 120.570 0.148 0.000 2.441 141 I HA 0.434 4.612 4.170 0.013 0.000 0.295 141 I C -1.106 175.061 176.117 0.082 0.000 0.994 141 I CA -1.285 60.068 61.300 0.087 0.000 1.144 141 I CB 1.373 39.455 38.000 0.136 0.000 1.314 141 I HN 0.623 nan 8.210 nan 0.000 0.445 142 I N 7.419 127.928 120.570 -0.102 0.000 2.418 142 I HA 0.289 4.467 4.170 0.013 0.000 0.287 142 I C -1.262 174.685 176.117 -0.282 0.000 1.008 142 I CA -0.415 60.836 61.300 -0.082 0.000 1.104 142 I CB 1.421 39.379 38.000 -0.069 0.000 1.264 142 I HN 0.401 nan 8.210 nan 0.000 0.438 143 F N 4.592 124.528 119.950 -0.025 0.000 2.293 143 F HA 0.267 4.801 4.527 0.013 0.000 0.370 143 F C 1.360 177.045 175.800 -0.191 0.000 1.090 143 F CA -0.528 57.388 58.000 -0.139 0.000 1.133 143 F CB 0.581 39.462 39.000 -0.198 0.000 1.360 143 F HN 0.460 nan 8.300 nan 0.000 0.489 144 D N 2.333 122.636 120.400 -0.162 0.000 2.221 144 D HA -0.026 4.622 4.640 0.013 0.000 0.204 144 D C 1.064 177.182 176.300 -0.304 0.000 0.982 144 D CA 1.109 54.969 54.000 -0.234 0.000 0.857 144 D CB 0.335 40.937 40.800 -0.329 0.000 0.934 144 D HN 0.623 nan 8.370 nan 0.000 0.475 145 G N -0.455 108.106 108.800 -0.398 0.000 2.505 145 G HA2 0.437 4.405 3.960 0.013 0.000 0.292 145 G HA3 0.437 4.405 3.960 0.013 0.000 0.292 145 G C -1.409 173.220 174.900 -0.452 0.000 1.332 145 G CA -0.449 44.291 45.100 -0.601 0.000 1.286 145 G HN -0.045 nan 8.290 nan 0.000 0.606 146 V N 2.582 122.446 119.914 -0.084 0.000 2.531 146 V HA 0.535 4.663 4.120 0.013 0.000 0.301 146 V C -0.751 175.457 176.094 0.190 0.000 1.034 146 V CA -1.239 61.041 62.300 -0.033 0.000 0.865 146 V CB 1.996 33.579 31.823 -0.399 0.000 0.995 146 V HN 0.676 nan 8.190 nan 0.000 0.424 147 N N 2.368 121.154 118.700 0.143 0.000 2.476 147 N HA 0.314 5.062 4.740 0.013 0.000 0.257 147 N C 0.574 176.028 175.510 -0.094 0.000 0.970 147 N CA 0.181 53.211 53.050 -0.033 0.000 0.938 147 N CB 2.126 40.412 38.487 -0.335 0.000 1.144 147 N HN 0.766 nan 8.380 nan 0.000 0.500 148 S N 1.649 117.340 115.700 -0.015 0.000 2.559 148 S HA 0.544 5.022 4.470 0.013 0.000 0.226 148 S C 0.270 174.946 174.600 0.126 0.000 1.030 148 S CA -0.183 58.056 58.200 0.063 0.000 0.956 148 S CB 0.483 63.732 63.200 0.081 0.000 0.900 148 S HN 0.585 nan 8.310 nan 0.000 0.510 149 A N 1.007 123.917 122.820 0.149 0.000 2.594 149 A HA 0.796 5.124 4.320 0.013 0.000 0.295 149 A C -1.327 176.384 177.584 0.212 0.000 1.071 149 A CA -0.908 51.191 52.037 0.103 0.000 0.685 149 A CB 1.051 20.142 19.000 0.153 0.000 1.285 149 A HN 1.100 nan 8.150 nan 0.000 0.405 150 F N -0.489 119.329 119.950 -0.219 0.000 2.703 150 F HA 0.725 5.260 4.527 0.013 0.000 0.308 150 F C -1.253 174.482 175.800 -0.107 0.000 1.126 150 F CA -0.764 57.187 58.000 -0.081 0.000 0.959 150 F CB 0.971 39.901 39.000 -0.117 0.000 1.297 150 F HN 0.629 nan 8.300 nan 0.000 0.441 151 H N 1.867 121.056 119.070 0.199 0.000 2.529 151 H HA 0.743 5.307 4.556 0.013 0.000 0.348 151 H C -1.416 173.835 175.328 -0.127 0.000 1.152 151 H CA -0.715 55.321 56.048 -0.019 0.000 1.202 151 H CB 2.512 32.286 29.762 0.020 0.000 1.562 151 H HN 0.802 nan 8.280 nan 0.000 0.515 152 L N 2.486 123.447 121.223 -0.438 0.000 2.365 152 L HA 0.421 4.769 4.340 0.013 0.000 0.273 152 L C -1.655 174.888 176.870 -0.545 0.000 1.000 152 L CA -0.503 54.124 54.840 -0.354 0.000 0.819 152 L CB 1.525 43.236 42.059 -0.580 0.000 1.284 152 L HN 0.502 nan 8.230 nan 0.000 0.418 153 W N 4.419 125.664 121.300 -0.092 0.000 2.915 153 W HA 0.555 5.223 4.660 0.013 0.000 0.337 153 W C -1.297 175.170 176.519 -0.086 0.000 1.102 153 W CA -0.766 56.524 57.345 -0.091 0.000 1.224 153 W CB 2.045 31.476 29.460 -0.049 0.000 1.416 153 W HN 0.597 nan 8.180 nan 0.000 0.503 154 C N 5.352 124.744 119.300 0.153 0.000 2.397 154 C HA 0.317 4.785 4.460 0.013 0.000 0.325 154 C C 0.227 175.360 174.990 0.238 0.000 1.201 154 C CA -0.309 58.808 59.018 0.166 0.000 1.377 154 C CB -0.557 27.229 27.740 0.077 0.000 2.038 154 C HN 0.797 nan 8.230 nan 0.000 0.457 155 N N 3.762 122.559 118.700 0.161 0.000 2.740 155 N HA -0.187 4.561 4.740 0.013 0.000 0.248 155 N C 0.983 176.564 175.510 0.118 0.000 1.062 155 N CA 1.906 55.022 53.050 0.110 0.000 0.704 155 N CB -1.335 37.222 38.487 0.117 0.000 0.968 155 N HN 1.814 nan 8.380 nan 0.000 0.547 156 G N -1.072 107.787 108.800 0.098 0.000 2.234 156 G HA2 -0.383 3.585 3.960 0.013 0.000 0.260 156 G HA3 -0.383 3.585 3.960 0.013 0.000 0.260 156 G C 0.148 175.214 174.900 0.277 0.000 0.987 156 G CA 0.712 45.863 45.100 0.085 0.000 0.625 156 G HN 0.573 nan 8.290 nan 0.000 0.532 157 R N -0.796 119.935 120.500 0.385 0.000 2.312 157 R HA 0.420 4.768 4.340 0.013 0.000 0.311 157 R C -0.069 176.565 176.300 0.557 0.000 1.004 157 R CA -0.834 55.569 56.100 0.504 0.000 0.902 157 R CB 0.938 31.542 30.300 0.506 0.000 1.073 157 R HN 0.231 nan 8.270 nan 0.000 0.457 158 W N 3.953 125.443 121.300 0.317 0.000 2.322 158 W HA 0.035 4.703 4.660 0.013 0.000 0.328 158 W C 0.074 176.499 176.519 -0.157 0.000 1.395 158 W CA 0.081 57.296 57.345 -0.217 0.000 1.267 158 W CB 0.586 29.920 29.460 -0.210 0.000 1.259 158 W HN 0.358 nan 8.180 nan 0.000 0.560 159 V N 5.466 124.639 119.914 -1.235 0.000 2.599 159 V HA 0.537 4.665 4.120 0.013 0.000 0.237 159 V C 1.085 176.223 176.094 -1.593 0.000 1.081 159 V CA 1.075 62.619 62.300 -1.260 0.000 1.107 159 V CB -0.539 30.606 31.823 -1.129 0.000 0.808 159 V HN 0.772 nan 8.190 nan 0.000 0.486 160 G N -1.913 105.806 108.800 -1.803 0.000 2.548 160 G HA2 0.504 4.472 3.960 0.013 0.000 0.301 160 G HA3 0.504 4.472 3.960 0.013 0.000 0.301 160 G C -2.483 171.963 174.900 -0.758 0.000 1.349 160 G CA -0.366 43.959 45.100 -1.292 0.000 0.792 160 G HN -0.005 nan 8.290 nan 0.000 0.481 161 Y N -0.432 119.614 120.300 -0.423 0.000 2.524 161 Y HA 0.730 5.288 4.550 0.013 0.000 0.347 161 Y C -0.004 175.689 175.900 -0.344 0.000 1.005 161 Y CA -0.200 57.619 58.100 -0.468 0.000 1.025 161 Y CB 2.379 40.706 38.460 -0.222 0.000 1.275 161 Y HN 1.103 nan 8.280 nan 0.000 0.460 162 G N 4.019 111.999 108.800 -1.366 0.000 2.733 162 G HA2 0.555 4.523 3.960 0.013 0.000 0.297 162 G HA3 0.555 4.523 3.960 0.013 0.000 0.297 162 G C -2.068 172.368 174.900 -0.774 0.000 1.422 162 G CA -0.810 43.791 45.100 -0.831 0.000 0.942 162 G HN 0.633 nan 8.290 nan 0.000 0.510 163 Q N -0.309 119.282 119.800 -0.347 0.000 2.873 163 Q HA 0.592 4.940 4.340 0.013 0.000 0.297 163 Q C -1.286 174.717 176.000 0.005 0.000 1.064 163 Q CA -0.784 54.942 55.803 -0.129 0.000 0.816 163 Q CB 2.447 31.154 28.738 -0.051 0.000 1.481 163 Q HN 0.669 nan 8.270 nan 0.000 0.488 164 D N -0.326 120.115 120.400 0.067 0.000 4.531 164 D HA -0.098 4.550 4.640 0.013 0.000 0.229 164 D C -0.524 175.842 176.300 0.110 0.000 1.248 164 D CA 0.539 54.594 54.000 0.091 0.000 1.039 164 D CB -0.533 40.303 40.800 0.059 0.000 0.609 164 D HN 0.531 nan 8.370 nan 0.000 0.283 165 S N 3.441 119.221 115.700 0.134 0.000 2.507 165 S HA -0.064 4.414 4.470 0.013 0.000 0.235 165 S C 1.534 176.273 174.600 0.232 0.000 0.988 165 S CA 0.534 58.846 58.200 0.188 0.000 0.944 165 S CB 0.250 63.525 63.200 0.124 0.000 0.762 165 S HN 0.468 nan 8.310 nan 0.000 0.526 166 R N 0.268 120.853 120.500 0.142 0.000 2.509 166 R HA 0.441 4.789 4.340 0.013 0.000 0.300 166 R C -0.342 176.002 176.300 0.074 0.000 0.985 166 R CA 0.051 56.221 56.100 0.117 0.000 1.092 166 R CB 0.048 30.428 30.300 0.132 0.000 1.237 166 R HN 0.332 nan 8.270 nan 0.000 0.546 167 L N 1.804 123.047 121.223 0.034 0.000 2.371 167 L HA 0.497 4.845 4.340 0.013 0.000 0.262 167 L C -2.363 174.480 176.870 -0.046 0.000 1.006 167 L CA -2.251 52.582 54.840 -0.012 0.000 0.818 167 L CB 3.179 45.228 42.059 -0.017 0.000 1.354 167 L HN -0.196 nan 8.230 nan 0.000 0.415 168 P HA 0.089 nan 4.420 nan 0.000 0.271 168 P C -0.951 176.309 177.300 -0.068 0.000 1.216 168 P CA -0.212 62.837 63.100 -0.085 0.000 0.776 168 P CB 1.234 32.849 31.700 -0.142 0.000 0.881 169 S N 2.181 117.898 115.700 0.029 0.000 2.530 169 S HA 0.273 4.750 4.470 0.013 0.000 0.322 169 S C -0.328 174.192 174.600 -0.135 0.000 1.085 169 S CA -0.573 57.596 58.200 -0.051 0.000 1.096 169 S CB 0.701 64.033 63.200 0.220 0.000 0.988 169 S HN 0.384 nan 8.310 nan 0.000 0.466 170 E N 2.154 122.090 120.200 -0.441 0.000 2.195 170 E HA 0.590 4.948 4.350 0.013 0.000 0.271 170 E C -1.316 174.846 176.600 -0.730 0.000 0.923 170 E CA -0.581 55.617 56.400 -0.336 0.000 0.790 170 E CB 1.482 31.114 29.700 -0.114 0.000 1.155 170 E HN 0.407 nan 8.360 nan 0.000 0.402 171 F N 0.530 120.533 119.950 0.088 0.000 2.565 171 F HA 0.197 4.732 4.527 0.014 0.000 0.313 171 F C -0.044 175.770 175.800 0.024 0.000 1.091 171 F CA -1.151 56.860 58.000 0.017 0.000 0.915 171 F CB 1.552 40.528 39.000 -0.041 0.000 1.208 171 F HN 0.278 nan 8.300 nan 0.000 0.453 172 D N 2.858 123.365 120.400 0.180 0.000 2.325 172 D HA 0.237 4.885 4.640 0.013 0.000 0.251 172 D C 0.278 176.692 176.300 0.189 0.000 1.196 172 D CA 0.259 54.352 54.000 0.155 0.000 0.866 172 D CB 0.951 41.830 40.800 0.132 0.000 1.101 172 D HN 0.580 nan 8.370 nan 0.000 0.476 173 L N 2.769 124.114 121.223 0.203 0.000 2.640 173 L HA 0.044 4.392 4.340 0.013 0.000 0.230 173 L C 2.136 179.226 176.870 0.367 0.000 1.123 173 L CA -0.196 54.800 54.840 0.259 0.000 0.900 173 L CB 0.065 42.259 42.059 0.224 0.000 1.146 173 L HN 0.267 nan 8.230 nan 0.000 0.484 174 S N 1.406 117.275 115.700 0.281 0.000 2.368 174 S HA -0.278 4.199 4.470 0.013 0.000 0.226 174 S C 2.043 176.765 174.600 0.204 0.000 1.044 174 S CA 1.883 60.216 58.200 0.223 0.000 1.062 174 S CB -0.186 63.106 63.200 0.152 0.000 0.931 174 S HN 0.561 nan 8.310 nan 0.000 0.440 175 A N -0.551 122.388 122.820 0.198 0.000 2.235 175 A HA 0.273 4.601 4.320 0.013 0.000 0.208 175 A C 1.293 178.797 177.584 -0.134 0.000 1.172 175 A CA 0.473 52.511 52.037 0.003 0.000 0.786 175 A CB -0.489 18.442 19.000 -0.115 0.000 0.804 175 A HN 0.477 nan 8.150 nan 0.000 0.479 176 F N -0.587 119.408 119.950 0.076 0.000 2.694 176 F HA 0.327 4.862 4.527 0.013 0.000 0.292 176 F C 0.835 176.676 175.800 0.069 0.000 1.121 176 F CA -0.410 57.635 58.000 0.074 0.000 1.352 176 F CB -0.163 38.890 39.000 0.088 0.000 1.107 176 F HN -0.038 nan 8.300 nan 0.000 0.597 177 L N 2.136 123.514 121.223 0.258 0.000 2.482 177 L HA 0.204 4.552 4.340 0.013 0.000 0.273 177 L C 0.425 177.335 176.870 0.068 0.000 1.228 177 L CA 0.169 55.099 54.840 0.150 0.000 0.827 177 L CB 0.280 42.440 42.059 0.168 0.000 1.099 177 L HN 0.193 nan 8.230 nan 0.000 0.494 178 R N 1.338 121.839 120.500 0.002 0.000 2.764 178 R HA 0.772 5.120 4.340 0.013 0.000 0.270 178 R C -1.262 175.004 176.300 -0.056 0.000 1.014 178 R CA -0.955 55.133 56.100 -0.020 0.000 0.904 178 R CB 1.399 31.685 30.300 -0.023 0.000 1.236 178 R HN 0.522 nan 8.270 nan 0.000 0.466 179 A N 0.949 123.742 122.820 -0.046 0.000 2.462 179 A HA 0.531 4.859 4.320 0.013 0.000 0.243 179 A C 1.041 178.575 177.584 -0.083 0.000 1.076 179 A CA 0.994 52.996 52.037 -0.058 0.000 0.773 179 A CB -0.601 18.375 19.000 -0.039 0.000 1.010 179 A HN 1.434 nan 8.150 nan 0.000 0.493 180 G N 1.543 110.282 108.800 -0.101 0.000 2.512 180 G HA2 -0.169 3.798 3.960 0.013 0.000 0.240 180 G HA3 -0.169 3.798 3.960 0.013 0.000 0.240 180 G C -0.224 174.575 174.900 -0.168 0.000 1.246 180 G CA 0.132 45.164 45.100 -0.113 0.000 0.919 180 G HN 1.018 nan 8.290 nan 0.000 0.577 181 E N 1.437 121.545 120.200 -0.153 0.000 2.360 181 E HA 0.327 4.685 4.350 0.013 0.000 0.269 181 E C 0.022 176.470 176.600 -0.254 0.000 1.022 181 E CA -0.083 56.197 56.400 -0.199 0.000 0.887 181 E CB 0.459 30.085 29.700 -0.123 0.000 0.990 181 E HN 0.412 nan 8.360 nan 0.000 0.426 182 N N 2.299 120.733 118.700 -0.444 0.000 2.292 182 N HA 0.375 5.122 4.740 0.013 0.000 0.303 182 N C -0.907 174.469 175.510 -0.223 0.000 1.140 182 N CA -0.655 52.120 53.050 -0.459 0.000 0.788 182 N CB 2.281 40.195 38.487 -0.955 0.000 1.361 182 N HN 0.307 nan 8.380 nan 0.000 0.489 183 R N 1.862 122.373 120.500 0.018 0.000 2.532 183 R HA 0.454 4.802 4.340 0.013 0.000 0.297 183 R C -1.216 175.192 176.300 0.181 0.000 0.984 183 R CA -0.501 55.670 56.100 0.118 0.000 0.884 183 R CB 0.948 31.251 30.300 0.005 0.000 1.182 183 R HN 0.470 nan 8.270 nan 0.000 0.442 184 L N 3.212 124.556 121.223 0.200 0.000 2.334 184 L HA 0.703 5.051 4.340 0.013 0.000 0.277 184 L C -0.176 176.763 176.870 0.115 0.000 1.075 184 L CA -0.832 54.111 54.840 0.172 0.000 0.804 184 L CB 1.867 44.002 42.059 0.126 0.000 1.174 184 L HN 0.752 nan 8.230 nan 0.000 0.438 185 A N 3.445 126.344 122.820 0.131 0.000 2.357 185 A HA 0.712 5.040 4.320 0.013 0.000 0.295 185 A C -0.977 176.877 177.584 0.450 0.000 1.121 185 A CA -0.430 51.580 52.037 -0.044 0.000 0.742 185 A CB 1.338 19.922 19.000 -0.693 0.000 1.181 185 A HN 0.382 nan 8.150 nan 0.000 0.454 186 V N 3.705 124.063 119.914 0.739 0.000 2.376 186 V HA 0.410 4.537 4.120 0.013 0.000 0.287 186 V C -0.052 176.573 176.094 0.884 0.000 1.015 186 V CA -0.255 62.485 62.300 0.733 0.000 0.834 186 V CB 1.422 33.511 31.823 0.444 0.000 1.001 186 V HN 0.963 nan 8.190 nan 0.000 0.428 187 M N 6.106 126.251 119.600 0.907 0.000 2.069 187 M HA 0.507 4.995 4.480 0.013 0.000 0.349 187 M C -1.259 175.311 176.300 0.451 0.000 1.194 187 M CA -0.307 55.351 55.300 0.597 0.000 1.081 187 M CB 0.936 33.927 32.600 0.651 0.000 1.500 187 M HN 0.463 nan 8.290 nan 0.000 0.438 188 V N 6.953 127.095 119.914 0.381 0.000 2.383 188 V HA 0.363 4.491 4.120 0.013 0.000 0.275 188 V C -0.046 176.230 176.094 0.304 0.000 1.036 188 V CA -0.614 61.914 62.300 0.379 0.000 0.889 188 V CB 1.255 33.383 31.823 0.509 0.000 0.985 188 V HN 0.790 nan 8.190 nan 0.000 0.459 189 L N 4.940 126.275 121.223 0.187 0.000 2.307 189 L HA 0.534 4.882 4.340 0.013 0.000 0.282 189 L C 1.511 178.415 176.870 0.058 0.000 1.051 189 L CA -0.384 54.490 54.840 0.055 0.000 0.804 189 L CB 1.235 43.225 42.059 -0.115 0.000 1.197 189 L HN 0.614 nan 8.230 nan 0.000 0.431 190 R N 2.407 122.880 120.500 -0.045 0.000 2.073 190 R HA -0.012 4.336 4.340 0.013 0.000 0.229 190 R C -0.384 175.601 176.300 -0.525 0.000 1.120 190 R CA 1.007 56.842 56.100 -0.441 0.000 0.967 190 R CB 0.244 30.116 30.300 -0.713 0.000 0.862 190 R HN 0.577 nan 8.270 nan 0.000 0.436 191 W N 0.344 121.718 121.300 0.124 0.000 2.606 191 W HA 0.425 5.093 4.660 0.013 0.000 0.332 191 W C -0.379 176.261 176.519 0.201 0.000 1.052 191 W CA -0.849 56.574 57.345 0.129 0.000 1.223 191 W CB 1.788 31.325 29.460 0.128 0.000 1.383 191 W HN -0.007 nan 8.180 nan 0.000 0.524 192 S N -1.092 114.899 115.700 0.486 0.000 2.615 192 S HA 0.186 4.664 4.470 0.013 0.000 0.269 192 S C 0.012 174.869 174.600 0.429 0.000 1.161 192 S CA -0.554 57.940 58.200 0.490 0.000 0.817 192 S CB 1.183 64.639 63.200 0.427 0.000 1.131 192 S HN 0.650 nan 8.310 nan 0.000 0.467 193 D N 0.408 121.075 120.400 0.445 0.000 2.311 193 D HA 0.061 4.709 4.640 0.013 0.000 0.212 193 D C 1.666 178.307 176.300 0.568 0.000 0.972 193 D CA 1.184 55.508 54.000 0.540 0.000 0.887 193 D CB -0.554 40.416 40.800 0.284 0.000 0.915 193 D HN 0.702 nan 8.370 nan 0.000 0.497 194 G N 0.060 109.099 108.800 0.399 0.000 2.448 194 G HA2 -0.213 3.755 3.960 0.013 0.000 0.218 194 G HA3 -0.213 3.755 3.960 0.013 0.000 0.218 194 G C 1.689 176.781 174.900 0.321 0.000 1.135 194 G CA 0.484 45.789 45.100 0.343 0.000 0.784 194 G HN 0.295 nan 8.290 nan 0.000 0.543 195 S N 0.147 116.015 115.700 0.280 0.000 2.419 195 S HA -0.116 4.362 4.470 0.013 0.000 0.235 195 S C 1.886 176.578 174.600 0.155 0.000 1.019 195 S CA 0.747 59.075 58.200 0.214 0.000 0.982 195 S CB -0.389 62.942 63.200 0.218 0.000 0.789 195 S HN 0.512 nan 8.310 nan 0.000 0.490 196 Y N 1.061 121.486 120.300 0.209 0.000 2.497 196 Y HA 0.101 4.658 4.550 0.013 0.000 0.292 196 Y C 1.551 177.544 175.900 0.156 0.000 1.137 196 Y CA 0.576 58.714 58.100 0.063 0.000 1.285 196 Y CB -0.236 38.134 38.460 -0.150 0.000 0.991 196 Y HN 0.213 nan 8.280 nan 0.000 0.556 197 L N -0.330 121.083 121.223 0.317 0.000 2.769 197 L HA 0.178 4.526 4.340 0.013 0.000 0.240 197 L C -0.081 176.933 176.870 0.239 0.000 1.163 197 L CA 0.334 55.319 54.840 0.242 0.000 0.962 197 L CB 0.144 42.347 42.059 0.241 0.000 1.258 197 L HN 0.122 nan 8.230 nan 0.000 0.513 198 E N -0.084 120.273 120.200 0.262 0.000 4.044 198 E HA 0.046 4.404 4.350 0.013 0.000 0.216 198 E C -0.551 176.177 176.600 0.214 0.000 1.104 198 E CA -0.060 56.483 56.400 0.239 0.000 1.383 198 E CB 0.561 30.393 29.700 0.220 0.000 1.195 198 E HN 0.018 nan 8.360 nan 0.000 0.442 199 D N 1.258 121.748 120.400 0.151 0.000 2.706 199 D HA 0.027 4.675 4.640 0.013 0.000 0.236 199 D C -0.277 176.037 176.300 0.023 0.000 1.231 199 D CA -0.137 53.846 54.000 -0.029 0.000 0.828 199 D CB 0.164 40.703 40.800 -0.435 0.000 1.015 199 D HN 0.047 nan 8.370 nan 0.000 0.484 200 Q N 0.450 120.353 119.800 0.171 0.000 2.364 200 Q HA 0.133 4.481 4.340 0.013 0.000 0.267 200 Q C -0.161 175.971 176.000 0.221 0.000 0.999 200 Q CA -0.019 55.951 55.803 0.279 0.000 0.886 200 Q CB 0.685 29.726 28.738 0.505 0.000 1.243 200 Q HN 0.082 nan 8.270 nan 0.000 0.415 201 D N 3.336 123.881 120.400 0.242 0.000 2.429 201 D HA 0.154 4.802 4.640 0.013 0.000 0.253 201 D C -0.781 175.656 176.300 0.228 0.000 1.294 201 D CA 0.213 54.330 54.000 0.195 0.000 1.063 201 D CB -0.403 40.497 40.800 0.167 0.000 1.096 201 D HN 0.495 nan 8.370 nan 0.000 0.516 202 M N 0.410 120.120 119.600 0.184 0.000 3.012 202 M HA 0.390 4.878 4.480 0.013 0.000 0.272 202 M C -1.335 175.053 176.300 0.146 0.000 1.187 202 M CA -1.170 54.166 55.300 0.061 0.000 0.813 202 M CB 0.980 33.526 32.600 -0.089 0.000 1.626 202 M HN -0.095 nan 8.290 nan 0.000 0.507 203 W N 1.958 123.325 121.300 0.112 0.000 2.193 203 W HA 0.314 4.982 4.660 0.013 0.000 0.338 203 W C 0.233 176.773 176.519 0.036 0.000 1.310 203 W CA 0.127 57.535 57.345 0.106 0.000 1.243 203 W CB 0.347 29.805 29.460 -0.004 0.000 1.165 203 W HN 0.303 nan 8.180 nan 0.000 0.566 204 R N 4.616 125.287 120.500 0.284 0.000 2.198 204 R HA 0.460 4.808 4.340 0.013 0.000 0.339 204 R C -0.197 176.120 176.300 0.028 0.000 1.020 204 R CA -0.358 55.838 56.100 0.160 0.000 0.864 204 R CB 0.417 30.881 30.300 0.273 0.000 1.105 204 R HN 0.569 nan 8.270 nan 0.000 0.463 205 M N 0.209 119.712 119.600 -0.161 0.000 2.752 205 M HA 0.524 5.012 4.480 0.013 0.000 0.285 205 M C -0.171 175.784 176.300 -0.575 0.000 1.140 205 M CA -0.771 54.311 55.300 -0.363 0.000 0.767 205 M CB 2.274 34.652 32.600 -0.370 0.000 1.736 205 M HN 0.669 nan 8.290 nan 0.000 0.452 206 S N -1.187 114.027 115.700 -0.811 0.000 2.595 206 S HA 0.929 5.407 4.470 0.013 0.000 0.270 206 S C -0.655 173.386 174.600 -0.932 0.000 1.145 206 S CA -0.197 57.438 58.200 -0.940 0.000 0.825 206 S CB 1.653 64.128 63.200 -1.209 0.000 1.107 206 S HN 1.509 nan 8.310 nan 0.000 0.461 207 G N 0.047 108.562 108.800 -0.474 0.000 2.343 207 G HA2 0.178 4.145 3.960 0.013 0.000 0.562 207 G HA3 0.178 4.145 3.960 0.013 0.000 0.562 207 G C -1.386 173.503 174.900 -0.018 0.000 1.269 207 G CA -0.588 44.518 45.100 0.011 0.000 1.011 207 G HN 1.212 nan 8.290 nan 0.000 0.498 208 I N 2.122 122.551 120.570 -0.236 0.000 2.241 208 I HA 0.249 4.427 4.170 0.013 0.000 0.294 208 I C 1.205 177.209 176.117 -0.189 0.000 1.145 208 I CA -0.329 60.754 61.300 -0.363 0.000 1.261 208 I CB -0.131 37.408 38.000 -0.768 0.000 1.475 208 I HN 0.484 nan 8.210 nan 0.000 0.533 209 F N 3.473 123.269 119.950 -0.257 0.000 2.765 209 F HA 0.422 4.957 4.527 0.013 0.000 0.302 209 F C 0.656 176.369 175.800 -0.146 0.000 1.111 209 F CA -0.534 57.347 58.000 -0.199 0.000 1.359 209 F CB -0.261 38.627 39.000 -0.186 0.000 1.097 209 F HN 0.135 nan 8.300 nan 0.000 0.577 210 R N 0.294 120.427 120.500 -0.612 0.000 2.888 210 R HA 0.229 4.577 4.340 0.013 0.000 0.264 210 R C -0.625 175.464 176.300 -0.351 0.000 1.045 210 R CA -1.160 54.649 56.100 -0.485 0.000 0.962 210 R CB 0.972 30.861 30.300 -0.685 0.000 1.210 210 R HN -0.045 nan 8.270 nan 0.000 0.479 211 D N 0.637 120.878 120.400 -0.265 0.000 2.461 211 D HA 0.046 4.694 4.640 0.013 0.000 0.231 211 D C -0.458 175.683 176.300 -0.265 0.000 1.208 211 D CA 0.688 54.562 54.000 -0.209 0.000 0.879 211 D CB 0.504 41.213 40.800 -0.151 0.000 1.220 211 D HN -0.011 nan 8.370 nan 0.000 0.480 212 V N 0.446 120.217 119.914 -0.238 0.000 2.686 212 V HA 0.579 4.706 4.120 0.013 0.000 0.306 212 V C -0.149 175.818 176.094 -0.211 0.000 1.065 212 V CA -0.590 61.499 62.300 -0.352 0.000 0.894 212 V CB 1.928 33.541 31.823 -0.349 0.000 1.004 212 V HN 0.810 nan 8.190 nan 0.000 0.424 213 S N 4.241 119.797 115.700 -0.240 0.000 2.656 213 S HA 0.835 5.313 4.470 0.013 0.000 0.273 213 S C -1.455 173.100 174.600 -0.074 0.000 1.168 213 S CA -0.966 57.168 58.200 -0.109 0.000 0.817 213 S CB 1.870 65.037 63.200 -0.055 0.000 1.146 213 S HN 0.481 nan 8.310 nan 0.000 0.475 214 L N 1.288 122.535 121.223 0.040 0.000 2.362 214 L HA 0.673 5.021 4.340 0.013 0.000 0.275 214 L C -1.508 175.465 176.870 0.171 0.000 0.998 214 L CA -0.844 54.085 54.840 0.149 0.000 0.820 214 L CB 1.715 43.964 42.059 0.318 0.000 1.270 214 L HN 0.660 nan 8.230 nan 0.000 0.415 215 L N 3.446 124.711 121.223 0.070 0.000 2.356 215 L HA 0.436 4.783 4.340 0.013 0.000 0.277 215 L C -0.712 176.048 176.870 -0.182 0.000 0.996 215 L CA -0.061 54.763 54.840 -0.027 0.000 0.822 215 L CB 1.365 43.422 42.059 -0.004 0.000 1.256 215 L HN 0.495 nan 8.230 nan 0.000 0.413 216 H N 5.636 124.382 119.070 -0.540 0.000 2.581 216 H HA 0.431 4.994 4.556 0.013 0.000 0.308 216 H C -1.114 173.953 175.328 -0.435 0.000 1.040 216 H CA -0.716 54.866 56.048 -0.777 0.000 1.231 216 H CB 0.889 29.623 29.762 -1.714 0.000 1.396 216 H HN 0.539 nan 8.280 nan 0.000 0.467 217 K N 5.277 125.306 120.400 -0.618 0.000 2.281 217 K HA 0.376 4.704 4.320 0.013 0.000 0.242 217 K C -2.715 173.582 176.600 -0.505 0.000 0.971 217 K CA -2.031 53.984 56.287 -0.453 0.000 0.834 217 K CB 1.986 34.320 32.500 -0.276 0.000 1.181 217 K HN 0.477 nan 8.250 nan 0.000 0.435 218 P HA 0.036 nan 4.420 nan 0.000 0.274 218 P C 0.810 178.000 177.300 -0.184 0.000 1.237 218 P CA -0.077 62.880 63.100 -0.238 0.000 0.793 218 P CB 0.431 32.046 31.700 -0.142 0.000 0.977 219 T N -2.698 111.779 114.554 -0.129 0.000 2.821 219 T HA -0.055 4.303 4.350 0.013 0.000 0.267 219 T C 0.686 175.332 174.700 -0.091 0.000 1.046 219 T CA 1.251 63.294 62.100 -0.095 0.000 1.139 219 T CB -1.072 67.761 68.868 -0.058 0.000 0.871 219 T HN 0.286 nan 8.240 nan 0.000 0.454 220 T N 3.561 118.065 114.554 -0.083 0.000 2.747 220 T HA 0.437 4.795 4.350 0.013 0.000 0.301 220 T C -0.245 174.398 174.700 -0.094 0.000 0.952 220 T CA -0.704 61.343 62.100 -0.089 0.000 0.983 220 T CB 0.564 69.397 68.868 -0.058 0.000 0.930 220 T HN 0.696 nan 8.240 nan 0.000 0.494 221 Q N 2.729 122.461 119.800 -0.113 0.000 2.544 221 Q HA 0.597 4.945 4.340 0.013 0.000 0.291 221 Q C -1.220 174.714 176.000 -0.110 0.000 1.068 221 Q CA -1.156 54.573 55.803 -0.124 0.000 0.785 221 Q CB 1.448 30.093 28.738 -0.154 0.000 1.481 221 Q HN 0.451 nan 8.270 nan 0.000 0.430 222 I N 2.760 123.241 120.570 -0.149 0.000 2.363 222 I HA 0.040 4.218 4.170 0.013 0.000 0.292 222 I C 0.747 176.775 176.117 -0.148 0.000 1.075 222 I CA -0.096 61.131 61.300 -0.121 0.000 1.333 222 I CB 1.162 39.033 38.000 -0.215 0.000 1.415 222 I HN 0.860 nan 8.210 nan 0.000 0.502 223 S N 2.714 118.432 115.700 0.030 0.000 2.524 223 S HA 0.188 4.666 4.470 0.013 0.000 0.215 223 S C 0.120 174.937 174.600 0.362 0.000 0.986 223 S CA -0.246 58.044 58.200 0.151 0.000 0.911 223 S CB 0.190 63.428 63.200 0.064 0.000 0.805 223 S HN 0.732 nan 8.310 nan 0.000 0.501 224 D N -0.393 120.244 120.400 0.394 0.000 2.783 224 D HA 0.475 5.123 4.640 0.013 0.000 0.253 224 D C -1.935 174.601 176.300 0.393 0.000 1.206 224 D CA -0.685 53.560 54.000 0.409 0.000 0.740 224 D CB 1.111 42.026 40.800 0.193 0.000 1.313 224 D HN 0.205 nan 8.370 nan 0.000 0.427 225 F N -0.555 119.502 119.950 0.177 0.000 2.669 225 F HA 0.565 5.100 4.527 0.013 0.000 0.315 225 F C -1.686 174.251 175.800 0.229 0.000 1.109 225 F CA -0.746 57.291 58.000 0.062 0.000 1.028 225 F CB 0.922 39.979 39.000 0.094 0.000 1.287 225 F HN 0.290 nan 8.300 nan 0.000 0.452 226 H N 1.879 121.014 119.070 0.107 0.000 2.572 226 H HA 0.799 5.363 4.556 0.013 0.000 0.359 226 H C -1.286 174.082 175.328 0.067 0.000 1.134 226 H CA -1.622 54.425 56.048 -0.003 0.000 1.187 226 H CB 2.737 32.483 29.762 -0.028 0.000 1.597 226 H HN 0.597 nan 8.280 nan 0.000 0.524 227 V N 2.083 122.085 119.914 0.146 0.000 2.409 227 V HA 0.627 4.755 4.120 0.013 0.000 0.291 227 V C -0.196 175.886 176.094 -0.019 0.000 1.020 227 V CA -0.606 61.733 62.300 0.065 0.000 0.848 227 V CB 1.134 32.988 31.823 0.051 0.000 0.990 227 V HN 0.928 nan 8.190 nan 0.000 0.430 228 A N 3.383 126.173 122.820 -0.051 0.000 2.413 228 A HA 0.992 5.320 4.320 0.013 0.000 0.307 228 A C -0.109 177.373 177.584 -0.169 0.000 1.087 228 A CA -0.526 51.462 52.037 -0.081 0.000 0.750 228 A CB 2.053 21.029 19.000 -0.040 0.000 1.296 228 A HN 0.959 nan 8.150 nan 0.000 0.423 229 T N -0.295 114.146 114.554 -0.188 0.000 2.937 229 T HA 0.683 5.041 4.350 0.013 0.000 0.297 229 T C -0.612 173.880 174.700 -0.347 0.000 0.991 229 T CA -0.692 61.202 62.100 -0.344 0.000 0.990 229 T CB 0.922 69.498 68.868 -0.486 0.000 0.991 229 T HN 0.697 nan 8.240 nan 0.000 0.440 230 R N 2.040 122.270 120.500 -0.449 0.000 2.604 230 R HA 0.779 5.127 4.340 0.013 0.000 0.287 230 R C -1.105 174.814 176.300 -0.635 0.000 0.970 230 R CA -0.772 55.131 56.100 -0.327 0.000 0.946 230 R CB 1.411 31.618 30.300 -0.155 0.000 1.127 230 R HN 0.536 nan 8.270 nan 0.000 0.473 231 F N 0.425 120.326 119.950 -0.081 0.000 2.611 231 F HA 0.327 4.861 4.527 0.012 0.000 0.324 231 F C 0.621 176.263 175.800 -0.263 0.000 1.061 231 F CA -1.156 56.730 58.000 -0.190 0.000 0.954 231 F CB 0.992 39.744 39.000 -0.414 0.000 1.301 231 F HN 0.519 nan 8.300 nan 0.000 0.482 232 N N 0.030 118.698 118.700 -0.055 0.000 2.364 232 N HA 0.053 4.801 4.740 0.013 0.000 0.264 232 N C 0.429 175.826 175.510 -0.188 0.000 1.263 232 N CA -0.103 52.895 53.050 -0.087 0.000 0.959 232 N CB 0.133 38.599 38.487 -0.034 0.000 1.204 232 N HN 0.685 nan 8.380 nan 0.000 0.550 233 D N -1.161 119.176 120.400 -0.105 0.000 2.158 233 D HA -0.256 4.392 4.640 0.013 0.000 0.197 233 D C 0.490 176.765 176.300 -0.042 0.000 0.995 233 D CA 1.712 55.662 54.000 -0.083 0.000 0.846 233 D CB -0.467 40.328 40.800 -0.009 0.000 0.941 233 D HN 0.744 nan 8.370 nan 0.000 0.456 234 D N -1.360 119.052 120.400 0.021 0.000 2.462 234 D HA -0.010 4.638 4.640 0.013 0.000 0.221 234 D C 0.037 176.545 176.300 0.348 0.000 1.173 234 D CA -0.922 53.197 54.000 0.198 0.000 0.831 234 D CB -0.946 39.939 40.800 0.142 0.000 1.001 234 D HN 0.200 nan 8.370 nan 0.000 0.499 235 F N 0.702 120.711 119.950 0.100 0.000 3.084 235 F HA -0.287 4.247 4.527 0.011 0.000 0.286 235 F C 1.693 177.576 175.800 0.139 0.000 0.855 235 F CA 0.865 58.945 58.000 0.134 0.000 1.091 235 F CB -2.597 36.375 39.000 -0.047 0.000 1.177 235 F HN 0.223 nan 8.300 nan 0.000 0.542 236 S N -1.276 114.547 115.700 0.204 0.000 2.528 236 S HA 0.258 4.735 4.470 0.013 0.000 0.219 236 S C 0.659 175.317 174.600 0.097 0.000 0.985 236 S CA -0.019 58.261 58.200 0.134 0.000 0.914 236 S CB 0.419 63.673 63.200 0.089 0.000 0.776 236 S HN 0.455 nan 8.310 nan 0.000 0.526 237 R N 0.268 120.831 120.500 0.105 0.000 2.621 237 R HA 0.785 5.133 4.340 0.013 0.000 0.284 237 R C -1.332 174.993 176.300 0.041 0.000 0.998 237 R CA -0.273 55.853 56.100 0.045 0.000 0.895 237 R CB 2.256 32.561 30.300 0.008 0.000 1.195 237 R HN 0.265 nan 8.270 nan 0.000 0.450 238 A N 1.850 124.647 122.820 -0.039 0.000 2.515 238 A HA 0.768 5.096 4.320 0.013 0.000 0.296 238 A C -1.287 176.215 177.584 -0.137 0.000 1.094 238 A CA -0.672 51.258 52.037 -0.179 0.000 0.718 238 A CB 2.063 20.941 19.000 -0.203 0.000 1.307 238 A HN 0.346 nan 8.150 nan 0.000 0.408 239 V N 1.488 121.285 119.914 -0.195 0.000 2.483 239 V HA 0.437 4.565 4.120 0.013 0.000 0.297 239 V C -0.595 175.423 176.094 -0.128 0.000 1.027 239 V CA -0.322 61.905 62.300 -0.121 0.000 0.855 239 V CB 1.395 33.148 31.823 -0.117 0.000 0.995 239 V HN 0.792 nan 8.190 nan 0.000 0.424 240 L N 4.649 125.832 121.223 -0.065 0.000 2.257 240 L HA 0.609 4.957 4.340 0.013 0.000 0.290 240 L C 0.029 176.851 176.870 -0.080 0.000 1.044 240 L CA -0.018 54.759 54.840 -0.104 0.000 0.810 240 L CB 1.059 43.084 42.059 -0.057 0.000 1.193 240 L HN 0.810 nan 8.230 nan 0.000 0.425 241 E N 4.782 124.932 120.200 -0.084 0.000 2.129 241 E HA 0.621 4.979 4.350 0.013 0.000 0.268 241 E C -1.372 175.215 176.600 -0.021 0.000 0.900 241 E CA -0.742 55.628 56.400 -0.050 0.000 0.755 241 E CB 1.595 31.266 29.700 -0.049 0.000 1.117 241 E HN 0.709 nan 8.360 nan 0.000 0.410 242 A N 4.838 127.654 122.820 -0.007 0.000 2.291 242 A HA 0.289 4.616 4.320 0.013 0.000 0.311 242 A C -0.551 177.043 177.584 0.017 0.000 1.224 242 A CA -0.675 51.383 52.037 0.035 0.000 0.821 242 A CB 1.019 20.045 19.000 0.045 0.000 1.172 242 A HN 0.756 nan 8.150 nan 0.000 0.494 243 E N 2.494 122.704 120.200 0.017 0.000 2.227 243 E HA 0.520 4.878 4.350 0.013 0.000 0.282 243 E C -1.261 175.319 176.600 -0.034 0.000 1.015 243 E CA -0.300 56.068 56.400 -0.053 0.000 0.823 243 E CB 1.062 30.677 29.700 -0.141 0.000 1.081 243 E HN 0.388 nan 8.360 nan 0.000 0.396 244 V N 4.627 124.535 119.914 -0.010 0.000 2.540 244 V HA 0.289 4.417 4.120 0.013 0.000 0.302 244 V C -0.478 175.678 176.094 0.103 0.000 1.035 244 V CA -0.802 61.538 62.300 0.067 0.000 0.873 244 V CB 1.768 33.614 31.823 0.039 0.000 0.992 244 V HN 0.744 nan 8.190 nan 0.000 0.428 245 Q N 3.847 123.711 119.800 0.106 0.000 2.342 245 Q HA 0.824 5.172 4.340 0.013 0.000 0.267 245 Q C -0.785 175.265 176.000 0.083 0.000 1.038 245 Q CA -0.834 55.016 55.803 0.077 0.000 0.832 245 Q CB 2.597 31.326 28.738 -0.014 0.000 1.323 245 Q HN 0.814 nan 8.270 nan 0.000 0.448 246 M N -0.697 118.882 119.600 -0.035 0.000 2.644 246 M HA 0.743 5.231 4.480 0.013 0.000 0.304 246 M C -1.497 174.698 176.300 -0.175 0.000 1.215 246 M CA -0.576 54.631 55.300 -0.155 0.000 0.871 246 M CB 1.576 33.902 32.600 -0.457 0.000 1.740 246 M HN 0.506 nan 8.290 nan 0.000 0.464 247 C N 1.123 120.334 119.300 -0.149 0.000 2.634 247 C HA 1.043 5.510 4.460 0.013 0.000 0.313 247 C C 0.576 175.484 174.990 -0.137 0.000 1.198 247 C CA 0.579 59.526 59.018 -0.119 0.000 1.605 247 C CB 0.941 28.640 27.740 -0.069 0.000 2.196 247 C HN 1.424 nan 8.230 nan 0.000 0.486 248 G N 1.857 110.586 108.800 -0.120 0.000 2.362 248 G HA2 0.060 4.028 3.960 0.013 0.000 0.517 248 G HA3 0.060 4.028 3.960 0.013 0.000 0.517 248 G C -1.170 173.655 174.900 -0.125 0.000 1.256 248 G CA -0.583 44.451 45.100 -0.110 0.000 1.027 248 G HN 0.905 nan 8.290 nan 0.000 0.491 249 E N -0.038 120.097 120.200 -0.109 0.000 2.259 249 E HA 0.471 4.829 4.350 0.013 0.000 0.281 249 E C 0.414 176.915 176.600 -0.165 0.000 1.037 249 E CA -0.538 55.795 56.400 -0.111 0.000 0.854 249 E CB 0.362 30.020 29.700 -0.071 0.000 1.051 249 E HN 0.459 nan 8.360 nan 0.000 0.409 250 L N 5.053 126.169 121.223 -0.177 0.000 2.410 250 L HA 0.277 4.625 4.340 0.013 0.000 0.273 250 L C 0.442 177.184 176.870 -0.212 0.000 1.152 250 L CA -0.082 54.627 54.840 -0.218 0.000 0.855 250 L CB 0.355 42.307 42.059 -0.178 0.000 1.129 250 L HN 0.440 nan 8.230 nan 0.000 0.463 251 R N 1.774 122.093 120.500 -0.301 0.000 2.686 251 R HA 0.201 4.549 4.340 0.013 0.000 0.283 251 R C 0.007 176.058 176.300 -0.414 0.000 0.978 251 R CA -0.770 55.057 56.100 -0.455 0.000 0.897 251 R CB 1.683 31.414 30.300 -0.949 0.000 1.192 251 R HN 0.528 nan 8.270 nan 0.000 0.457 252 D N 1.197 121.434 120.400 -0.272 0.000 2.218 252 D HA -0.162 4.486 4.640 0.013 0.000 0.204 252 D C 1.456 177.710 176.300 -0.078 0.000 0.976 252 D CA 1.630 55.559 54.000 -0.118 0.000 0.853 252 D CB 0.182 40.966 40.800 -0.027 0.000 0.939 252 D HN 0.584 nan 8.370 nan 0.000 0.481 253 Y N -0.004 120.305 120.300 0.016 0.000 2.583 253 Y HA 0.242 4.800 4.550 0.013 0.000 0.293 253 Y C 0.876 176.773 175.900 -0.004 0.000 1.157 253 Y CA -0.408 57.696 58.100 0.007 0.000 1.315 253 Y CB -0.847 37.619 38.460 0.010 0.000 1.021 253 Y HN -0.193 nan 8.280 nan 0.000 0.536 254 L N 2.714 123.860 121.223 -0.128 0.000 2.439 254 L HA 0.272 4.620 4.340 0.013 0.000 0.269 254 L C 0.203 177.034 176.870 -0.065 0.000 1.179 254 L CA 0.022 54.860 54.840 -0.004 0.000 0.828 254 L CB 0.448 42.543 42.059 0.060 0.000 1.106 254 L HN 0.203 nan 8.230 nan 0.000 0.467 255 R N 1.900 122.251 120.500 -0.250 0.000 2.764 255 R HA 0.707 5.055 4.340 0.013 0.000 0.270 255 R C -1.549 174.385 176.300 -0.610 0.000 1.014 255 R CA -0.800 55.006 56.100 -0.491 0.000 0.904 255 R CB 2.199 32.128 30.300 -0.618 0.000 1.236 255 R HN 0.273 nan 8.270 nan 0.000 0.466 256 V N 0.774 120.390 119.914 -0.496 0.000 2.638 256 V HA 0.493 4.621 4.120 0.013 0.000 0.306 256 V C -0.564 175.481 176.094 -0.082 0.000 1.052 256 V CA -0.580 61.541 62.300 -0.300 0.000 0.885 256 V CB 2.357 33.919 31.823 -0.435 0.000 0.999 256 V HN 0.730 nan 8.190 nan 0.000 0.424 257 T N 4.013 118.626 114.554 0.098 0.000 2.812 257 T HA 0.590 4.948 4.350 0.013 0.000 0.282 257 T C -0.664 174.047 174.700 0.018 0.000 0.990 257 T CA -0.374 61.781 62.100 0.093 0.000 0.960 257 T CB 1.695 70.649 68.868 0.144 0.000 0.948 257 T HN 0.335 nan 8.240 nan 0.000 0.438 258 V N 3.463 123.370 119.914 -0.012 0.000 2.384 258 V HA 0.530 4.657 4.120 0.013 0.000 0.287 258 V C -0.075 176.018 176.094 -0.002 0.000 1.020 258 V CA -0.579 61.711 62.300 -0.016 0.000 0.850 258 V CB 1.689 33.493 31.823 -0.031 0.000 0.987 258 V HN 0.938 nan 8.190 nan 0.000 0.436 259 S N 5.047 120.774 115.700 0.044 0.000 2.472 259 S HA 0.712 5.190 4.470 0.013 0.000 0.303 259 S C -0.747 173.888 174.600 0.059 0.000 1.099 259 S CA -0.469 57.738 58.200 0.012 0.000 1.077 259 S CB 1.738 65.005 63.200 0.112 0.000 1.031 259 S HN 0.560 nan 8.310 nan 0.000 0.487 260 L N 3.468 124.638 121.223 -0.089 0.000 2.287 260 L HA 0.681 5.029 4.340 0.013 0.000 0.287 260 L C -1.895 174.947 176.870 -0.047 0.000 1.022 260 L CA -0.209 54.660 54.840 0.050 0.000 0.814 260 L CB 0.358 42.444 42.059 0.045 0.000 1.217 260 L HN 0.692 nan 8.230 nan 0.000 0.420 261 W N 3.736 125.134 121.300 0.163 0.000 2.666 261 W HA 0.589 5.257 4.660 0.013 0.000 0.334 261 W C -0.457 176.169 176.519 0.178 0.000 1.051 261 W CA -0.491 56.935 57.345 0.135 0.000 1.224 261 W CB 1.343 30.832 29.460 0.049 0.000 1.405 261 W HN 0.455 nan 8.180 nan 0.000 0.513 262 Q N 2.658 122.643 119.800 0.309 0.000 2.523 262 Q HA 0.489 4.836 4.340 0.013 0.000 0.251 262 Q C 0.685 176.744 176.000 0.098 0.000 1.033 262 Q CA 0.464 56.305 55.803 0.063 0.000 0.746 262 Q CB 0.499 29.217 28.738 -0.033 0.000 1.189 262 Q HN 0.781 nan 8.270 nan 0.000 0.508 263 G N 2.907 111.760 108.800 0.087 0.000 2.556 263 G HA2 -0.362 3.606 3.960 0.013 0.000 0.283 263 G HA3 -0.362 3.606 3.960 0.013 0.000 0.283 263 G C 0.333 175.325 174.900 0.153 0.000 1.177 263 G CA 0.370 45.512 45.100 0.070 0.000 0.978 263 G HN 0.685 nan 8.290 nan 0.000 0.554 264 E N 0.812 121.095 120.200 0.140 0.000 2.489 264 E HA 0.172 4.530 4.350 0.013 0.000 0.193 264 E C 0.384 177.211 176.600 0.379 0.000 1.057 264 E CA 0.604 57.127 56.400 0.204 0.000 0.866 264 E CB 0.189 29.947 29.700 0.097 0.000 0.916 264 E HN 0.361 nan 8.360 nan 0.000 0.500 265 T N 1.332 116.060 114.554 0.289 0.000 2.799 265 T HA 0.135 4.493 4.350 0.013 0.000 0.286 265 T C -0.200 174.513 174.700 0.022 0.000 0.973 265 T CA -0.392 61.800 62.100 0.152 0.000 1.035 265 T CB 1.719 70.623 68.868 0.059 0.000 0.932 265 T HN 0.009 nan 8.240 nan 0.000 0.469 266 Q N 2.551 122.121 119.800 -0.383 0.000 2.296 266 Q HA 0.359 4.707 4.340 0.013 0.000 0.257 266 Q C 0.885 176.637 176.000 -0.413 0.000 0.942 266 Q CA -0.537 54.709 55.803 -0.927 0.000 0.939 266 Q CB 0.837 28.790 28.738 -1.308 0.000 1.198 266 Q HN 0.689 nan 8.270 nan 0.000 0.429 267 V N 0.877 120.620 119.914 -0.284 0.000 3.125 267 V HA 0.595 4.723 4.120 0.013 0.000 0.249 267 V C 0.312 176.315 176.094 -0.150 0.000 1.113 267 V CA 0.736 62.955 62.300 -0.135 0.000 1.106 267 V CB 0.165 31.987 31.823 -0.002 0.000 0.768 267 V HN 0.620 nan 8.190 nan 0.000 0.468 268 A N -0.746 121.957 122.820 -0.195 0.000 2.612 268 A HA 0.842 5.169 4.320 0.013 0.000 0.293 268 A C -0.649 176.832 177.584 -0.172 0.000 1.075 268 A CA 0.214 52.160 52.037 -0.151 0.000 0.680 268 A CB 1.686 20.627 19.000 -0.099 0.000 1.279 268 A HN 0.785 nan 8.150 nan 0.000 0.411 269 S N -0.921 114.704 115.700 -0.125 0.000 2.543 269 S HA 0.754 5.232 4.470 0.013 0.000 0.274 269 S C -0.702 173.858 174.600 -0.068 0.000 1.149 269 S CA 0.218 58.355 58.200 -0.104 0.000 0.866 269 S CB 1.555 64.678 63.200 -0.128 0.000 1.111 269 S HN 2.344 nan 8.310 nan 0.000 0.457 270 G N 1.754 110.524 108.800 -0.050 0.000 2.731 270 G HA2 0.632 4.600 3.960 0.013 0.000 0.298 270 G HA3 0.632 4.600 3.960 0.013 0.000 0.298 270 G C -1.289 173.594 174.900 -0.029 0.000 1.424 270 G CA -0.373 44.702 45.100 -0.042 0.000 1.029 270 G HN 0.704 nan 8.290 nan 0.000 0.518 271 T N -0.030 114.510 114.554 -0.024 0.000 2.893 271 T HA 0.891 5.249 4.350 0.013 0.000 0.291 271 T C -0.264 174.404 174.700 -0.053 0.000 1.028 271 T CA 0.051 62.146 62.100 -0.009 0.000 0.995 271 T CB 1.858 70.753 68.868 0.045 0.000 1.051 271 T HN 1.665 nan 8.240 nan 0.000 0.470 272 A N 3.161 125.918 122.820 -0.106 0.000 2.583 272 A HA 0.831 5.159 4.320 0.013 0.000 0.292 272 A C -3.132 174.316 177.584 -0.226 0.000 1.045 272 A CA -1.335 50.621 52.037 -0.135 0.000 0.672 272 A CB 1.031 19.956 19.000 -0.126 0.000 1.283 272 A HN 0.536 nan 8.150 nan 0.000 0.419 273 P HA 0.582 nan 4.420 nan 0.000 0.279 273 P C -0.648 176.507 177.300 -0.241 0.000 1.276 273 P CA -0.306 62.680 63.100 -0.190 0.000 0.801 273 P CB 0.436 32.093 31.700 -0.072 0.000 1.127 274 F N -0.516 119.390 119.950 -0.074 0.000 2.418 274 F HA 0.488 5.023 4.527 0.013 0.000 0.341 274 F C 1.416 177.193 175.800 -0.038 0.000 1.120 274 F CA 1.390 59.356 58.000 -0.057 0.000 1.232 274 F CB 0.288 39.247 39.000 -0.068 0.000 1.175 274 F HN 0.589 nan 8.300 nan 0.000 0.569 275 G N 1.747 110.660 108.800 0.188 0.000 2.492 275 G HA2 0.355 4.323 3.960 0.013 0.000 0.283 275 G HA3 0.355 4.323 3.960 0.013 0.000 0.283 275 G C -0.366 174.581 174.900 0.078 0.000 1.274 275 G CA -0.711 44.455 45.100 0.110 0.000 1.215 275 G HN 1.039 nan 8.290 nan 0.000 0.598 276 G N 0.642 109.508 108.800 0.109 0.000 2.616 276 G HA2 0.648 4.616 3.960 0.013 0.000 0.268 276 G HA3 0.648 4.616 3.960 0.013 0.000 0.268 276 G C 0.503 175.442 174.900 0.064 0.000 1.213 276 G CA 0.025 45.179 45.100 0.090 0.000 0.926 276 G HN 1.083 nan 8.290 nan 0.000 0.523 277 E N -0.810 119.421 120.200 0.051 0.000 2.409 277 E HA 0.159 4.517 4.350 0.013 0.000 0.257 277 E C -0.129 176.491 176.600 0.033 0.000 1.150 277 E CA -0.498 55.921 56.400 0.032 0.000 0.942 277 E CB 0.869 30.583 29.700 0.023 0.000 0.979 277 E HN 0.301 nan 8.360 nan 0.000 0.447 278 I N 2.241 122.818 120.570 0.012 0.000 2.618 278 I HA -0.069 4.109 4.170 0.013 0.000 0.284 278 I C 1.192 177.310 176.117 0.002 0.000 1.146 278 I CA 0.330 61.628 61.300 -0.003 0.000 1.425 278 I CB 0.177 38.172 38.000 -0.010 0.000 1.383 278 I HN 0.634 nan 8.210 nan 0.000 0.562 279 I N 1.373 121.935 120.570 -0.013 0.000 3.883 279 I HA 0.280 4.458 4.170 0.013 0.000 0.305 279 I C -0.098 176.009 176.117 -0.015 0.000 1.247 279 I CA 0.008 61.309 61.300 0.001 0.000 1.350 279 I CB 0.433 38.452 38.000 0.031 0.000 1.194 279 I HN 0.591 nan 8.210 nan 0.000 0.441 280 D N -0.273 120.104 120.400 -0.039 0.000 2.825 280 D HA 0.200 4.848 4.640 0.013 0.000 0.327 280 D C 0.269 176.546 176.300 -0.038 0.000 1.277 280 D CA -0.541 53.439 54.000 -0.034 0.000 0.950 280 D CB 0.712 41.490 40.800 -0.037 0.000 1.438 280 D HN -0.149 nan 8.370 nan 0.000 0.526 281 E N -0.951 119.231 120.200 -0.032 0.000 2.219 281 E HA -0.098 4.259 4.350 0.013 0.000 0.198 281 E C 1.283 177.860 176.600 -0.038 0.000 0.998 281 E CA 1.060 57.443 56.400 -0.029 0.000 0.818 281 E CB -0.050 29.636 29.700 -0.023 0.000 0.741 281 E HN 0.221 nan 8.360 nan 0.000 0.477 282 R N -0.186 120.282 120.500 -0.053 0.000 2.320 282 R HA 0.260 4.608 4.340 0.013 0.000 0.211 282 R C 0.870 177.124 176.300 -0.077 0.000 0.931 282 R CA 0.700 56.762 56.100 -0.063 0.000 1.071 282 R CB 0.171 30.426 30.300 -0.074 0.000 1.025 282 R HN 0.227 nan 8.270 nan 0.000 0.495 283 G N -0.661 108.095 108.800 -0.073 0.000 2.464 283 G HA2 -0.152 3.816 3.960 0.013 0.000 0.216 283 G HA3 -0.152 3.816 3.960 0.013 0.000 0.216 283 G C -0.090 174.749 174.900 -0.101 0.000 1.186 283 G CA -0.586 44.471 45.100 -0.073 0.000 1.010 283 G HN 0.519 nan 8.290 nan 0.000 0.585 284 G N -2.167 106.569 108.800 -0.107 0.000 3.086 284 G HA2 0.630 4.598 3.960 0.013 0.000 0.282 284 G HA3 0.630 4.598 3.960 0.013 0.000 0.282 284 G C -1.575 173.217 174.900 -0.180 0.000 1.343 284 G CA -0.619 44.408 45.100 -0.121 0.000 0.895 284 G HN 0.796 nan 8.290 nan 0.000 0.557 285 Y N 1.316 121.621 120.300 0.009 0.000 2.556 285 Y HA 0.424 4.982 4.550 0.013 0.000 0.352 285 Y C 1.517 177.431 175.900 0.023 0.000 1.006 285 Y CA 0.182 58.289 58.100 0.012 0.000 1.277 285 Y CB 1.389 39.859 38.460 0.017 0.000 1.136 285 Y HN 0.545 nan 8.280 nan 0.000 0.523 286 A N 1.838 124.725 122.820 0.111 0.000 2.067 286 A HA -0.153 4.175 4.320 0.013 0.000 0.219 286 A C 1.526 179.161 177.584 0.086 0.000 1.158 286 A CA 1.537 53.622 52.037 0.079 0.000 0.661 286 A CB -0.261 18.749 19.000 0.017 0.000 0.801 286 A HN 0.763 nan 8.150 nan 0.000 0.452 287 D N -0.889 119.558 120.400 0.078 0.000 2.358 287 D HA 0.125 4.772 4.640 0.013 0.000 0.224 287 D C 0.474 176.819 176.300 0.075 0.000 1.123 287 D CA -0.048 53.917 54.000 -0.059 0.000 0.833 287 D CB -0.034 40.713 40.800 -0.088 0.000 0.946 287 D HN 0.403 nan 8.370 nan 0.000 0.505 288 R N -0.859 119.803 120.500 0.270 0.000 2.836 288 R HA 0.739 5.087 4.340 0.013 0.000 0.269 288 R C -1.607 174.846 176.300 0.254 0.000 1.010 288 R CA -1.159 55.102 56.100 0.269 0.000 0.930 288 R CB 3.009 33.347 30.300 0.062 0.000 1.218 288 R HN -0.021 nan 8.270 nan 0.000 0.473 289 V N 0.216 120.185 119.914 0.092 0.000 3.000 289 V HA 0.465 4.593 4.120 0.013 0.000 0.300 289 V C -1.643 174.414 176.094 -0.061 0.000 1.251 289 V CA -0.263 62.011 62.300 -0.042 0.000 0.972 289 V CB 2.677 34.347 31.823 -0.255 0.000 1.065 289 V HN 0.807 nan 8.190 nan 0.000 0.431 290 T N 7.619 122.141 114.554 -0.053 0.000 2.786 290 T HA 0.605 4.963 4.350 0.013 0.000 0.283 290 T C -0.885 173.782 174.700 -0.055 0.000 0.992 290 T CA -0.418 61.654 62.100 -0.046 0.000 0.954 290 T CB 1.054 69.906 68.868 -0.028 0.000 0.934 290 T HN 0.481 nan 8.240 nan 0.000 0.440 291 L N 3.703 124.894 121.223 -0.055 0.000 2.309 291 L HA 0.571 4.918 4.340 0.013 0.000 0.282 291 L C 0.486 177.330 176.870 -0.044 0.000 1.036 291 L CA -0.394 54.413 54.840 -0.055 0.000 0.806 291 L CB 1.242 43.266 42.059 -0.058 0.000 1.220 291 L HN 0.539 nan 8.230 nan 0.000 0.429 292 R N 3.456 123.929 120.500 -0.045 0.000 2.439 292 R HA 0.671 5.019 4.340 0.013 0.000 0.310 292 R C -1.362 174.911 176.300 -0.045 0.000 0.955 292 R CA -0.921 55.152 56.100 -0.045 0.000 0.853 292 R CB 1.994 32.269 30.300 -0.043 0.000 1.171 292 R HN 0.250 nan 8.270 nan 0.000 0.449 293 L N 2.630 123.826 121.223 -0.044 0.000 2.346 293 L HA 0.394 4.742 4.340 0.013 0.000 0.276 293 L C -0.351 176.493 176.870 -0.044 0.000 1.006 293 L CA -0.626 54.187 54.840 -0.044 0.000 0.817 293 L CB 1.773 43.809 42.059 -0.039 0.000 1.272 293 L HN 0.497 nan 8.230 nan 0.000 0.421 294 N N 1.253 119.922 118.700 -0.051 0.000 2.455 294 N HA 0.649 5.397 4.740 0.013 0.000 0.280 294 N C -1.187 174.283 175.510 -0.068 0.000 1.055 294 N CA -0.439 52.578 53.050 -0.056 0.000 0.961 294 N CB 1.814 40.271 38.487 -0.051 0.000 1.121 294 N HN 0.246 nan 8.380 nan 0.000 0.476 295 V N 1.814 121.677 119.914 -0.085 0.000 2.483 295 V HA 0.276 4.404 4.120 0.013 0.000 0.297 295 V C -0.494 175.528 176.094 -0.120 0.000 1.027 295 V CA -0.885 61.330 62.300 -0.141 0.000 0.855 295 V CB 1.522 33.170 31.823 -0.291 0.000 0.995 295 V HN 0.572 nan 8.190 nan 0.000 0.424 296 E N 3.053 123.201 120.200 -0.086 0.000 2.283 296 E HA 0.286 4.644 4.350 0.013 0.000 0.278 296 E C 0.167 176.744 176.600 -0.038 0.000 1.027 296 E CA -0.461 55.911 56.400 -0.046 0.000 0.843 296 E CB 0.537 30.219 29.700 -0.029 0.000 1.062 296 E HN 0.738 nan 8.360 nan 0.000 0.401 297 N N 1.245 119.945 118.700 -0.001 0.000 2.699 297 N HA -0.155 4.593 4.740 0.013 0.000 0.256 297 N C -2.429 173.082 175.510 0.002 0.000 0.993 297 N CA 0.308 53.373 53.050 0.025 0.000 0.759 297 N CB -1.116 37.386 38.487 0.025 0.000 0.906 297 N HN 0.375 nan 8.380 nan 0.000 0.541 298 P HA -0.007 nan 4.420 nan 0.000 0.269 298 P C -0.443 176.873 177.300 0.026 0.000 1.215 298 P CA 0.245 63.233 63.100 -0.188 0.000 0.780 298 P CB 0.797 32.083 31.700 -0.690 0.000 0.898 299 K N 2.413 122.928 120.400 0.191 0.000 2.312 299 K HA 0.296 4.624 4.320 0.013 0.000 0.287 299 K C 0.189 176.944 176.600 0.258 0.000 1.062 299 K CA -0.448 55.945 56.287 0.176 0.000 0.934 299 K CB 0.336 32.900 32.500 0.107 0.000 1.027 299 K HN 0.440 nan 8.250 nan 0.000 0.478 300 L N 2.817 124.115 121.223 0.125 0.000 2.349 300 L HA 0.254 4.601 4.340 0.013 0.000 0.275 300 L C 0.069 176.995 176.870 0.094 0.000 1.115 300 L CA -0.764 54.139 54.840 0.105 0.000 0.820 300 L CB 0.281 42.241 42.059 -0.165 0.000 1.135 300 L HN 0.597 nan 8.230 nan 0.000 0.445 301 W N 3.994 125.320 121.300 0.043 0.000 2.316 301 W HA 0.467 5.134 4.660 0.011 0.000 0.321 301 W C 0.104 176.571 176.519 -0.087 0.000 1.203 301 W CA 0.231 57.589 57.345 0.021 0.000 1.214 301 W CB 1.231 30.758 29.460 0.111 0.000 1.169 301 W HN 0.643 nan 8.180 nan 0.000 0.561 302 S N 2.840 117.900 115.700 -1.067 0.000 2.615 302 S HA 0.563 5.041 4.470 0.013 0.000 0.268 302 S C -0.038 173.779 174.600 -1.305 0.000 1.146 302 S CA -0.378 57.263 58.200 -0.931 0.000 0.818 302 S CB 0.887 63.809 63.200 -0.464 0.000 1.111 302 S HN 1.102 nan 8.310 nan 0.000 0.465 303 A N 0.584 122.774 122.820 -1.050 0.000 2.067 303 A HA 0.080 4.408 4.320 0.013 0.000 0.219 303 A C 1.752 179.014 177.584 -0.537 0.000 1.158 303 A CA 1.537 53.007 52.037 -0.945 0.000 0.661 303 A CB -0.927 17.382 19.000 -1.152 0.000 0.801 303 A HN 0.870 nan 8.150 nan 0.000 0.452 304 E N -0.668 119.341 120.200 -0.318 0.000 2.028 304 E HA 0.039 4.397 4.350 0.013 0.000 0.190 304 E C -0.134 176.314 176.600 -0.253 0.000 0.984 304 E CA 0.771 57.043 56.400 -0.213 0.000 0.800 304 E CB -0.002 29.708 29.700 0.016 0.000 0.758 304 E HN 0.578 nan 8.360 nan 0.000 0.448 305 I N 2.058 122.464 120.570 -0.272 0.000 2.563 305 I HA 0.160 4.338 4.170 0.013 0.000 0.276 305 I C -2.396 173.512 176.117 -0.348 0.000 1.074 305 I CA -1.854 59.308 61.300 -0.231 0.000 1.124 305 I CB 1.961 39.876 38.000 -0.142 0.000 1.225 305 I HN -0.167 nan 8.210 nan 0.000 0.482 306 P HA 0.025 nan 4.420 nan 0.000 0.231 306 P C -0.616 176.704 177.300 0.033 0.000 1.756 306 P CA -0.161 62.706 63.100 -0.387 0.000 0.990 306 P CB -0.287 31.319 31.700 -0.156 0.000 1.973 307 N N 1.960 120.692 118.700 0.054 0.000 2.452 307 N HA 0.134 4.882 4.740 0.013 0.000 0.266 307 N C 0.181 175.904 175.510 0.355 0.000 1.209 307 N CA 0.361 53.499 53.050 0.147 0.000 0.929 307 N CB 0.787 39.336 38.487 0.103 0.000 1.063 307 N HN 0.339 nan 8.380 nan 0.000 0.472 308 L N 2.473 123.830 121.223 0.223 0.000 2.341 308 L HA 0.504 4.852 4.340 0.013 0.000 0.267 308 L C -0.665 176.298 176.870 0.155 0.000 1.009 308 L CA -0.886 54.123 54.840 0.281 0.000 0.819 308 L CB 1.148 43.336 42.059 0.216 0.000 1.323 308 L HN 0.376 nan 8.230 nan 0.000 0.425 309 Y N 0.231 120.671 120.300 0.233 0.000 2.621 309 Y HA 0.649 5.207 4.550 0.013 0.000 0.334 309 Y C -0.248 175.767 175.900 0.191 0.000 1.074 309 Y CA -0.860 57.379 58.100 0.232 0.000 1.149 309 Y CB 1.752 40.409 38.460 0.328 0.000 1.302 309 Y HN 0.372 nan 8.280 nan 0.000 0.501 310 R N 1.122 121.849 120.500 0.378 0.000 2.480 310 R HA 0.804 5.151 4.340 0.013 0.000 0.306 310 R C -1.710 174.772 176.300 0.303 0.000 0.958 310 R CA -0.570 55.684 56.100 0.256 0.000 0.861 310 R CB 1.070 31.457 30.300 0.144 0.000 1.171 310 R HN 0.726 nan 8.270 nan 0.000 0.445 311 A N 4.136 127.082 122.820 0.209 0.000 2.271 311 A HA 0.598 4.926 4.320 0.013 0.000 0.317 311 A C -1.031 176.612 177.584 0.097 0.000 1.245 311 A CA -0.660 51.483 52.037 0.177 0.000 0.857 311 A CB 1.171 20.249 19.000 0.129 0.000 1.175 311 A HN 0.485 nan 8.150 nan 0.000 0.512 312 V N 3.431 123.410 119.914 0.107 0.000 2.398 312 V HA 0.389 4.517 4.120 0.013 0.000 0.286 312 V C -0.242 175.825 176.094 -0.045 0.000 1.026 312 V CA -0.521 61.779 62.300 -0.001 0.000 0.868 312 V CB 1.489 33.321 31.823 0.015 0.000 0.982 312 V HN 0.596 nan 8.190 nan 0.000 0.443 313 V N 4.873 124.690 119.914 -0.161 0.000 2.328 313 V HA 0.408 4.536 4.120 0.013 0.000 0.278 313 V C -0.039 175.982 176.094 -0.122 0.000 1.021 313 V CA -0.575 61.602 62.300 -0.205 0.000 0.838 313 V CB 1.214 32.746 31.823 -0.484 0.000 0.999 313 V HN 0.938 nan 8.190 nan 0.000 0.447 314 E N 4.084 124.268 120.200 -0.027 0.000 2.151 314 E HA 0.493 4.851 4.350 0.013 0.000 0.275 314 E C -0.988 175.685 176.600 0.123 0.000 0.936 314 E CA -0.891 55.541 56.400 0.053 0.000 0.777 314 E CB 2.478 32.225 29.700 0.079 0.000 1.108 314 E HN 0.452 nan 8.360 nan 0.000 0.401 315 L N 4.719 125.996 121.223 0.091 0.000 2.262 315 L HA 0.353 4.701 4.340 0.013 0.000 0.288 315 L C -0.885 176.076 176.870 0.152 0.000 1.035 315 L CA 0.131 55.023 54.840 0.086 0.000 0.820 315 L CB -0.274 41.826 42.059 0.069 0.000 1.204 315 L HN 0.685 nan 8.230 nan 0.000 0.424 316 H N 0.601 119.702 119.070 0.052 0.000 3.038 316 H HA 0.876 5.440 4.556 0.013 0.000 0.289 316 H C -0.704 174.692 175.328 0.114 0.000 1.510 316 H CA -0.431 55.657 56.048 0.066 0.000 1.227 316 H CB 0.931 30.713 29.762 0.034 0.000 1.880 316 H HN 0.458 nan 8.280 nan 0.000 0.594 317 T N -2.580 112.097 114.554 0.204 0.000 2.952 317 T HA 0.591 4.949 4.350 0.013 0.000 0.286 317 T C 1.219 176.041 174.700 0.203 0.000 1.024 317 T CA -0.456 61.761 62.100 0.195 0.000 1.029 317 T CB 1.647 70.615 68.868 0.168 0.000 1.094 317 T HN 0.924 nan 8.240 nan 0.000 0.515 318 A N 1.093 124.003 122.820 0.149 0.000 1.972 318 A HA -0.047 4.281 4.320 0.013 0.000 0.219 318 A C 1.858 179.513 177.584 0.118 0.000 1.169 318 A CA 1.566 53.679 52.037 0.127 0.000 0.635 318 A CB -0.858 18.199 19.000 0.096 0.000 0.810 318 A HN 0.966 nan 8.150 nan 0.000 0.446 319 D N -1.953 118.499 120.400 0.086 0.000 2.349 319 D HA 0.222 4.870 4.640 0.013 0.000 0.224 319 D C 1.110 177.440 176.300 0.050 0.000 1.029 319 D CA 0.966 54.993 54.000 0.045 0.000 0.879 319 D CB -0.390 40.410 40.800 -0.000 0.000 0.906 319 D HN 0.776 nan 8.370 nan 0.000 0.528 320 G N -0.133 108.726 108.800 0.099 0.000 2.163 320 G HA2 -0.217 3.751 3.960 0.013 0.000 0.213 320 G HA3 -0.217 3.751 3.960 0.013 0.000 0.213 320 G C 0.203 175.135 174.900 0.053 0.000 0.991 320 G CA 0.080 45.218 45.100 0.062 0.000 0.653 320 G HN 0.385 nan 8.290 nan 0.000 0.518 321 T N 1.491 116.094 114.554 0.081 0.000 2.771 321 T HA 0.529 4.887 4.350 0.013 0.000 0.291 321 T C 0.176 174.944 174.700 0.113 0.000 0.954 321 T CA -0.231 61.907 62.100 0.064 0.000 1.045 321 T CB 1.850 70.736 68.868 0.031 0.000 0.917 321 T HN 0.537 nan 8.240 nan 0.000 0.484 322 L N 5.003 126.274 121.223 0.080 0.000 2.319 322 L HA 0.391 4.739 4.340 0.013 0.000 0.280 322 L C 0.749 177.670 176.870 0.086 0.000 1.099 322 L CA 0.317 55.215 54.840 0.097 0.000 0.828 322 L CB 0.139 42.227 42.059 0.049 0.000 1.150 322 L HN 0.714 nan 8.230 nan 0.000 0.442 323 I N 2.887 123.515 120.570 0.098 0.000 2.628 323 I HA 0.137 4.315 4.170 0.013 0.000 0.255 323 I C 0.333 176.468 176.117 0.030 0.000 1.119 323 I CA 0.442 61.780 61.300 0.063 0.000 1.448 323 I CB 0.202 38.245 38.000 0.071 0.000 1.133 323 I HN 0.822 nan 8.210 nan 0.000 0.438 324 E N 0.166 120.385 120.200 0.033 0.000 2.398 324 E HA 0.651 5.009 4.350 0.013 0.000 0.280 324 E C -1.730 174.882 176.600 0.020 0.000 1.122 324 E CA -0.978 55.429 56.400 0.011 0.000 0.873 324 E CB 1.414 31.081 29.700 -0.055 0.000 1.294 324 E HN -0.043 nan 8.360 nan 0.000 0.435 325 A N 1.404 124.254 122.820 0.050 0.000 2.515 325 A HA 0.745 5.073 4.320 0.013 0.000 0.298 325 A C -1.158 176.510 177.584 0.140 0.000 1.059 325 A CA -0.714 51.357 52.037 0.056 0.000 0.698 325 A CB 1.878 20.917 19.000 0.065 0.000 1.289 325 A HN 0.509 nan 8.150 nan 0.000 0.404 326 E N -0.449 119.767 120.200 0.026 0.000 2.410 326 E HA 0.862 5.220 4.350 0.013 0.000 0.269 326 E C -0.429 176.212 176.600 0.067 0.000 0.937 326 E CA -0.389 56.089 56.400 0.130 0.000 0.793 326 E CB 2.398 32.012 29.700 -0.144 0.000 1.314 326 E HN 1.309 nan 8.360 nan 0.000 0.447 327 A N -0.251 122.746 122.820 0.296 0.000 2.511 327 A HA 0.775 5.103 4.320 0.013 0.000 0.293 327 A C -1.312 176.494 177.584 0.370 0.000 1.098 327 A CA -0.202 51.937 52.037 0.171 0.000 0.643 327 A CB 0.776 19.762 19.000 -0.023 0.000 1.302 327 A HN 0.990 nan 8.150 nan 0.000 0.446 328 C N -0.813 118.641 119.300 0.256 0.000 3.292 328 C HA 0.716 5.184 4.460 0.013 0.000 0.338 328 C C -1.727 173.360 174.990 0.161 0.000 1.323 328 C CA -0.974 58.187 59.018 0.239 0.000 1.232 328 C CB 0.845 28.743 27.740 0.264 0.000 1.517 328 C HN 0.843 nan 8.230 nan 0.000 0.470 329 D N 1.269 121.749 120.400 0.132 0.000 2.304 329 D HA 0.527 5.175 4.640 0.013 0.000 0.250 329 D C -0.210 176.146 176.300 0.095 0.000 1.107 329 D CA 0.153 54.230 54.000 0.128 0.000 0.885 329 D CB 1.927 42.802 40.800 0.124 0.000 1.192 329 D HN 0.561 nan 8.370 nan 0.000 0.436 330 V N 1.032 121.031 119.914 0.140 0.000 2.513 330 V HA 0.669 4.797 4.120 0.013 0.000 0.299 330 V C 0.649 176.823 176.094 0.133 0.000 1.035 330 V CA -0.777 61.561 62.300 0.063 0.000 0.889 330 V CB 1.989 33.831 31.823 0.032 0.000 0.988 330 V HN 0.630 nan 8.190 nan 0.000 0.440 331 G N 2.923 111.703 108.800 -0.033 0.000 2.557 331 G HA2 0.613 4.581 3.960 0.013 0.000 0.310 331 G HA3 0.613 4.581 3.960 0.013 0.000 0.310 331 G C -1.105 173.887 174.900 0.153 0.000 1.328 331 G CA -0.381 44.767 45.100 0.079 0.000 0.945 331 G HN 0.417 nan 8.290 nan 0.000 0.494 332 F N 4.120 124.271 119.950 0.335 0.000 2.434 332 F HA 0.484 5.018 4.527 0.012 0.000 0.358 332 F C 1.096 177.128 175.800 0.386 0.000 1.136 332 F CA -0.222 58.031 58.000 0.422 0.000 1.157 332 F CB 0.747 40.013 39.000 0.443 0.000 1.167 332 F HN 0.452 nan 8.300 nan 0.000 0.539 333 R N 2.925 123.708 120.500 0.471 0.000 2.629 333 R HA 0.373 4.721 4.340 0.013 0.000 0.266 333 R C -1.848 174.606 176.300 0.256 0.000 1.051 333 R CA -0.793 55.433 56.100 0.210 0.000 0.895 333 R CB 1.553 32.034 30.300 0.301 0.000 1.246 333 R HN 0.593 nan 8.270 nan 0.000 0.459 334 E N 2.420 122.699 120.200 0.133 0.000 2.158 334 E HA 0.438 4.796 4.350 0.013 0.000 0.271 334 E C -1.203 175.491 176.600 0.157 0.000 0.911 334 E CA -0.871 55.680 56.400 0.252 0.000 0.767 334 E CB 1.978 31.901 29.700 0.373 0.000 1.120 334 E HN 0.406 nan 8.360 nan 0.000 0.405 335 V N 5.822 125.814 119.914 0.130 0.000 2.384 335 V HA 0.567 4.695 4.120 0.013 0.000 0.287 335 V C -0.211 175.929 176.094 0.078 0.000 1.020 335 V CA -0.609 61.738 62.300 0.077 0.000 0.850 335 V CB 1.066 32.912 31.823 0.039 0.000 0.987 335 V HN 0.744 nan 8.190 nan 0.000 0.436 336 R N 4.319 124.861 120.500 0.070 0.000 2.629 336 R HA 0.676 5.024 4.340 0.013 0.000 0.266 336 R C -2.054 174.277 176.300 0.052 0.000 1.051 336 R CA -0.894 55.246 56.100 0.068 0.000 0.895 336 R CB 1.685 32.038 30.300 0.088 0.000 1.246 336 R HN 0.512 nan 8.270 nan 0.000 0.459 337 I N 1.761 122.359 120.570 0.047 0.000 2.331 337 I HA 0.334 4.512 4.170 0.013 0.000 0.292 337 I C -0.380 175.761 176.117 0.040 0.000 0.998 337 I CA -0.351 60.971 61.300 0.037 0.000 1.267 337 I CB 1.681 39.703 38.000 0.037 0.000 1.386 337 I HN 0.702 nan 8.210 nan 0.000 0.476 338 E N 5.898 126.119 120.200 0.034 0.000 2.290 338 E HA 0.226 4.584 4.350 0.013 0.000 0.274 338 E C -0.215 176.401 176.600 0.026 0.000 0.889 338 E CA -0.595 55.826 56.400 0.035 0.000 0.760 338 E CB 1.123 30.850 29.700 0.045 0.000 1.206 338 E HN 0.564 nan 8.360 nan 0.000 0.419 339 N N 3.142 121.857 118.700 0.025 0.000 2.708 339 N HA -0.241 4.507 4.740 0.013 0.000 0.249 339 N C 0.431 175.949 175.510 0.014 0.000 1.097 339 N CA 2.157 55.219 53.050 0.019 0.000 0.710 339 N CB -1.130 37.367 38.487 0.018 0.000 1.032 339 N HN 0.982 nan 8.380 nan 0.000 0.551 340 G N -2.318 106.491 108.800 0.015 0.000 2.157 340 G HA2 -0.259 3.708 3.960 0.013 0.000 0.248 340 G HA3 -0.259 3.708 3.960 0.013 0.000 0.248 340 G C -0.172 174.727 174.900 -0.002 0.000 0.979 340 G CA 0.377 45.482 45.100 0.008 0.000 0.650 340 G HN 0.451 nan 8.290 nan 0.000 0.529 341 L N 0.023 121.245 121.223 -0.001 0.000 2.365 341 L HA 0.680 5.028 4.340 0.013 0.000 0.273 341 L C 0.042 176.905 176.870 -0.012 0.000 1.000 341 L CA -1.334 53.498 54.840 -0.014 0.000 0.819 341 L CB 1.924 43.975 42.059 -0.013 0.000 1.284 341 L HN 0.092 nan 8.230 nan 0.000 0.418 342 L N 4.599 125.803 121.223 -0.031 0.000 2.315 342 L HA 0.418 4.766 4.340 0.013 0.000 0.283 342 L C -0.823 176.027 176.870 -0.034 0.000 1.089 342 L CA 0.442 55.264 54.840 -0.031 0.000 0.833 342 L CB 0.212 42.237 42.059 -0.056 0.000 1.170 342 L HN 0.383 nan 8.230 nan 0.000 0.442 343 L N 5.766 126.988 121.223 -0.003 0.000 2.334 343 L HA 0.551 4.899 4.340 0.013 0.000 0.276 343 L C -0.830 176.054 176.870 0.023 0.000 1.014 343 L CA -0.866 53.983 54.840 0.014 0.000 0.815 343 L CB 1.860 43.949 42.059 0.051 0.000 1.268 343 L HN 0.519 nan 8.230 nan 0.000 0.428 344 L N 3.750 124.995 121.223 0.038 0.000 2.343 344 L HA 0.490 4.838 4.340 0.013 0.000 0.278 344 L C -0.330 176.558 176.870 0.029 0.000 0.996 344 L CA 0.028 54.898 54.840 0.051 0.000 0.831 344 L CB 0.898 42.998 42.059 0.069 0.000 1.232 344 L HN 0.580 nan 8.230 nan 0.000 0.413 345 N N 4.212 122.825 118.700 -0.146 0.000 2.725 345 N HA -0.213 4.535 4.740 0.013 0.000 0.251 345 N C 0.984 176.166 175.510 -0.547 0.000 1.031 345 N CA 1.320 53.935 53.050 -0.725 0.000 0.720 345 N CB -1.291 36.652 38.487 -0.907 0.000 0.930 345 N HN 1.195 nan 8.380 nan 0.000 0.543 346 G N -2.024 106.768 108.800 -0.013 0.000 2.184 346 G HA2 -0.368 3.600 3.960 0.013 0.000 0.264 346 G HA3 -0.368 3.600 3.960 0.013 0.000 0.264 346 G C -0.016 174.922 174.900 0.063 0.000 0.975 346 G CA 0.974 46.145 45.100 0.120 0.000 0.642 346 G HN 0.422 nan 8.290 nan 0.000 0.536 347 K N 0.994 121.426 120.400 0.052 0.000 2.164 347 K HA 0.509 4.837 4.320 0.013 0.000 0.258 347 K C -2.655 173.928 176.600 -0.028 0.000 0.951 347 K CA -2.359 53.924 56.287 -0.007 0.000 0.844 347 K CB 2.340 34.775 32.500 -0.108 0.000 1.099 347 K HN 0.117 nan 8.250 nan 0.000 0.435 348 P HA 0.167 nan 4.420 nan 0.000 0.276 348 P C -0.180 177.059 177.300 -0.102 0.000 1.264 348 P CA -0.202 62.857 63.100 -0.069 0.000 0.769 348 P CB 0.492 32.154 31.700 -0.063 0.000 0.840 349 L N 3.722 124.879 121.223 -0.110 0.000 2.464 349 L HA 0.256 4.604 4.340 0.013 0.000 0.264 349 L C 0.772 177.556 176.870 -0.144 0.000 1.199 349 L CA -0.504 54.255 54.840 -0.134 0.000 0.818 349 L CB 0.201 42.136 42.059 -0.208 0.000 1.102 349 L HN 0.286 nan 8.230 nan 0.000 0.473 350 L N 3.583 124.733 121.223 -0.121 0.000 2.442 350 L HA 0.405 4.753 4.340 0.013 0.000 0.261 350 L C -0.490 176.316 176.870 -0.107 0.000 1.000 350 L CA -0.264 54.487 54.840 -0.148 0.000 0.882 350 L CB 0.805 42.807 42.059 -0.095 0.000 1.207 350 L HN 0.244 nan 8.230 nan 0.000 0.443 351 I N 4.606 125.046 120.570 -0.216 0.000 2.494 351 I HA 0.140 4.318 4.170 0.013 0.000 0.289 351 I C 0.612 176.667 176.117 -0.103 0.000 1.106 351 I CA 0.360 61.538 61.300 -0.204 0.000 1.369 351 I CB 0.122 37.877 38.000 -0.409 0.000 1.410 351 I HN 0.549 nan 8.210 nan 0.000 0.523 352 R N 4.882 125.409 120.500 0.045 0.000 3.256 352 R HA 0.447 4.795 4.340 0.013 0.000 0.263 352 R C 0.492 176.880 176.300 0.146 0.000 1.388 352 R CA -0.292 55.887 56.100 0.132 0.000 1.580 352 R CB 0.968 31.166 30.300 -0.170 0.000 1.255 352 R HN 0.773 nan 8.270 nan 0.000 0.640 353 G N 0.054 108.901 108.800 0.079 0.000 2.552 353 G HA2 0.592 4.560 3.960 0.013 0.000 0.324 353 G HA3 0.592 4.560 3.960 0.013 0.000 0.324 353 G C -1.285 173.923 174.900 0.513 0.000 1.217 353 G CA -0.469 44.718 45.100 0.145 0.000 0.989 353 G HN 0.187 nan 8.290 nan 0.000 0.490 354 V N -0.137 120.060 119.914 0.472 0.000 3.012 354 V HA 0.476 4.604 4.120 0.013 0.000 0.307 354 V C -1.110 175.122 176.094 0.231 0.000 1.166 354 V CA -1.216 61.259 62.300 0.291 0.000 0.974 354 V CB 2.175 33.905 31.823 -0.154 0.000 1.040 354 V HN 0.760 nan 8.190 nan 0.000 0.428 355 N N 4.252 123.008 118.700 0.094 0.000 2.529 355 N HA 0.440 5.188 4.740 0.013 0.000 0.278 355 N C -0.723 174.594 175.510 -0.323 0.000 1.146 355 N CA -0.270 52.704 53.050 -0.127 0.000 0.980 355 N CB 1.442 39.826 38.487 -0.171 0.000 1.124 355 N HN 0.633 nan 8.380 nan 0.000 0.458 356 R N 1.821 122.097 120.500 -0.374 0.000 2.514 356 R HA 0.225 4.573 4.340 0.013 0.000 0.296 356 R C -1.140 174.906 176.300 -0.424 0.000 1.012 356 R CA -0.549 55.340 56.100 -0.352 0.000 0.897 356 R CB 0.958 31.040 30.300 -0.364 0.000 1.184 356 R HN 0.592 nan 8.270 nan 0.000 0.440 357 H N 2.108 121.002 119.070 -0.295 0.000 2.488 357 H HA 0.181 4.745 4.556 0.014 0.000 0.347 357 H C -0.525 174.775 175.328 -0.047 0.000 1.174 357 H CA -0.170 55.789 56.048 -0.148 0.000 1.307 357 H CB 1.670 31.393 29.762 -0.066 0.000 1.517 357 H HN 0.566 nan 8.280 nan 0.000 0.554 358 E N 2.081 122.441 120.200 0.267 0.000 1.941 358 E HA 0.103 4.461 4.350 0.013 0.000 0.275 358 E C -0.680 176.051 176.600 0.219 0.000 1.113 358 E CA -0.053 56.439 56.400 0.153 0.000 0.878 358 E CB 0.324 30.128 29.700 0.173 0.000 1.070 358 E HN 0.378 nan 8.360 nan 0.000 0.399 359 H N 1.654 120.766 119.070 0.070 0.000 2.771 359 H HA 0.264 4.828 4.556 0.013 0.000 0.361 359 H C -1.599 173.761 175.328 0.053 0.000 1.108 359 H CA -0.683 55.397 56.048 0.054 0.000 1.201 359 H CB 1.144 30.919 29.762 0.023 0.000 1.681 359 H HN 0.389 nan 8.280 nan 0.000 0.534 360 H N 6.408 125.069 119.070 -0.681 0.000 2.689 360 H HA 0.201 4.764 4.556 0.013 0.000 0.346 360 H C -2.239 172.699 175.328 -0.650 0.000 1.037 360 H CA -2.368 53.409 56.048 -0.451 0.000 1.234 360 H CB 2.670 32.312 29.762 -0.199 0.000 1.572 360 H HN 0.563 nan 8.280 nan 0.000 0.524 361 P HA -0.126 nan 4.420 nan 0.000 0.218 361 P C 1.072 178.251 177.300 -0.202 0.000 1.146 361 P CA 0.986 63.921 63.100 -0.274 0.000 0.813 361 P CB 0.812 32.385 31.700 -0.211 0.000 0.778 362 L N -1.788 119.407 121.223 -0.047 0.000 2.362 362 L HA 0.123 4.471 4.340 0.013 0.000 0.204 362 L C 2.236 178.937 176.870 -0.281 0.000 1.060 362 L CA 0.532 55.247 54.840 -0.209 0.000 0.827 362 L CB -0.719 41.128 42.059 -0.353 0.000 1.027 362 L HN -0.015 nan 8.230 nan 0.000 0.474 363 H N 0.229 119.267 119.070 -0.054 0.000 2.517 363 H HA 0.316 4.880 4.556 0.013 0.000 0.282 363 H C 1.393 176.613 175.328 -0.179 0.000 1.023 363 H CA 0.517 56.456 56.048 -0.182 0.000 1.169 363 H CB 0.143 29.708 29.762 -0.328 0.000 1.454 363 H HN 0.385 nan 8.280 nan 0.000 0.556 364 G N 1.835 110.535 108.800 -0.165 0.000 2.601 364 G HA2 -0.375 3.593 3.960 0.013 0.000 0.306 364 G HA3 -0.375 3.593 3.960 0.013 0.000 0.306 364 G C 0.752 175.544 174.900 -0.180 0.000 1.172 364 G CA 0.503 45.451 45.100 -0.253 0.000 0.966 364 G HN 0.476 nan 8.290 nan 0.000 0.542 365 Q N -0.009 119.725 119.800 -0.110 0.000 2.188 365 Q HA 0.485 4.833 4.340 0.013 0.000 0.212 365 Q C 0.053 176.129 176.000 0.127 0.000 0.846 365 Q CA -0.180 55.610 55.803 -0.021 0.000 0.989 365 Q CB 1.576 30.224 28.738 -0.151 0.000 1.114 365 Q HN 0.352 nan 8.270 nan 0.000 0.488 366 V N 2.158 122.128 119.914 0.092 0.000 2.461 366 V HA 0.199 4.327 4.120 0.013 0.000 0.275 366 V C 0.133 176.268 176.094 0.068 0.000 1.047 366 V CA 0.067 62.431 62.300 0.107 0.000 0.955 366 V CB 0.962 32.793 31.823 0.013 0.000 0.988 366 V HN 0.341 nan 8.190 nan 0.000 0.471 367 M N 5.629 125.275 119.600 0.076 0.000 2.300 367 M HA 0.465 4.953 4.480 0.013 0.000 0.348 367 M C -0.360 175.885 176.300 -0.092 0.000 1.151 367 M CA -0.456 54.844 55.300 0.001 0.000 1.046 367 M CB 1.698 34.277 32.600 -0.035 0.000 1.647 367 M HN 0.823 nan 8.290 nan 0.000 0.451 368 D N 0.849 121.209 120.400 -0.066 0.000 2.433 368 D HA 0.208 4.855 4.640 0.013 0.000 0.236 368 D C 0.198 176.471 176.300 -0.044 0.000 1.026 368 D CA -0.424 53.535 54.000 -0.068 0.000 0.884 368 D CB 1.959 42.742 40.800 -0.030 0.000 1.384 368 D HN 0.736 nan 8.370 nan 0.000 0.477 369 E N 0.662 120.844 120.200 -0.031 0.000 2.097 369 E HA -0.319 4.039 4.350 0.013 0.000 0.196 369 E C 1.821 178.459 176.600 0.063 0.000 1.000 369 E CA 1.482 57.895 56.400 0.022 0.000 0.804 369 E CB 0.110 29.838 29.700 0.047 0.000 0.740 369 E HN 0.591 nan 8.360 nan 0.000 0.454 370 Q N -0.456 119.383 119.800 0.064 0.000 2.096 370 Q HA -0.168 4.180 4.340 0.013 0.000 0.204 370 Q C 1.928 177.986 176.000 0.097 0.000 0.982 370 Q CA 2.210 58.062 55.803 0.082 0.000 0.850 370 Q CB -0.015 28.772 28.738 0.082 0.000 0.901 370 Q HN 0.290 nan 8.270 nan 0.000 0.422 371 T N 0.589 115.210 114.554 0.112 0.000 2.857 371 T HA -0.063 4.295 4.350 0.013 0.000 0.266 371 T C 1.782 176.559 174.700 0.128 0.000 1.048 371 T CA 1.253 63.434 62.100 0.134 0.000 1.139 371 T CB -0.088 68.892 68.868 0.188 0.000 0.874 371 T HN 0.298 nan 8.240 nan 0.000 0.455 372 M N 0.594 120.273 119.600 0.132 0.000 2.117 372 M HA -0.078 4.410 4.480 0.013 0.000 0.262 372 M C 2.449 178.862 176.300 0.188 0.000 1.065 372 M CA 1.277 56.723 55.300 0.244 0.000 1.114 372 M CB -0.607 32.175 32.600 0.303 0.000 1.361 372 M HN 0.084 nan 8.290 nan 0.000 0.408 373 V N 0.375 120.345 119.914 0.093 0.000 2.343 373 V HA -0.303 3.825 4.120 0.013 0.000 0.247 373 V C 2.361 178.432 176.094 -0.039 0.000 1.051 373 V CA 2.146 64.437 62.300 -0.014 0.000 1.036 373 V CB -0.897 30.958 31.823 0.054 0.000 0.654 373 V HN 0.567 nan 8.190 nan 0.000 0.451 374 Q N -0.315 119.512 119.800 0.045 0.000 2.096 374 Q HA -0.274 4.074 4.340 0.013 0.000 0.204 374 Q C 1.933 177.988 176.000 0.092 0.000 0.982 374 Q CA 2.199 58.043 55.803 0.068 0.000 0.850 374 Q CB -0.136 28.660 28.738 0.097 0.000 0.901 374 Q HN 0.633 nan 8.270 nan 0.000 0.422 375 D N 0.350 120.819 120.400 0.114 0.000 2.084 375 D HA -0.126 4.522 4.640 0.013 0.000 0.196 375 D C 1.988 178.221 176.300 -0.111 0.000 0.985 375 D CA 1.172 55.233 54.000 0.102 0.000 0.826 375 D CB -0.239 40.608 40.800 0.079 0.000 0.978 375 D HN 0.349 nan 8.370 nan 0.000 0.456 376 I N 0.879 121.379 120.570 -0.116 0.000 2.208 376 I HA -0.265 3.913 4.170 0.013 0.000 0.245 376 I C 2.455 178.419 176.117 -0.255 0.000 1.097 376 I CA 0.744 61.877 61.300 -0.277 0.000 1.363 376 I CB -0.172 37.546 38.000 -0.471 0.000 1.051 376 I HN 0.003 nan 8.210 nan 0.000 0.413 377 L N -0.022 121.084 121.223 -0.195 0.000 2.017 377 L HA -0.232 4.116 4.340 0.013 0.000 0.208 377 L C 2.559 179.471 176.870 0.070 0.000 1.073 377 L CA 1.433 56.241 54.840 -0.054 0.000 0.745 377 L CB -0.587 41.458 42.059 -0.024 0.000 0.894 377 L HN 0.270 nan 8.230 nan 0.000 0.432 378 L N -1.034 120.251 121.223 0.104 0.000 2.083 378 L HA -0.240 4.108 4.340 0.013 0.000 0.209 378 L C 2.665 179.671 176.870 0.226 0.000 1.083 378 L CA 1.286 56.270 54.840 0.240 0.000 0.752 378 L CB -0.282 42.022 42.059 0.409 0.000 0.899 378 L HN 0.300 nan 8.230 nan 0.000 0.433 379 M N -0.638 118.915 119.600 -0.078 0.000 2.067 379 M HA -0.233 4.255 4.480 0.013 0.000 0.260 379 M C 2.303 178.672 176.300 0.116 0.000 1.069 379 M CA 1.884 57.058 55.300 -0.211 0.000 1.117 379 M CB -0.287 31.974 32.600 -0.565 0.000 1.334 379 M HN 0.051 nan 8.290 nan 0.000 0.407 380 K N -0.121 120.273 120.400 -0.010 0.000 2.097 380 K HA -0.182 4.145 4.320 0.013 0.000 0.206 380 K C 1.986 178.623 176.600 0.061 0.000 1.049 380 K CA 1.309 57.525 56.287 -0.118 0.000 0.933 380 K CB -0.217 32.055 32.500 -0.381 0.000 0.717 380 K HN 0.434 nan 8.250 nan 0.000 0.442 381 Q N 0.413 120.390 119.800 0.295 0.000 2.226 381 Q HA -0.053 4.295 4.340 0.013 0.000 0.204 381 Q C 0.789 177.093 176.000 0.507 0.000 0.975 381 Q CA 0.831 56.901 55.803 0.446 0.000 0.866 381 Q CB 0.137 29.080 28.738 0.341 0.000 0.915 381 Q HN 0.256 nan 8.270 nan 0.000 0.440 382 N N 0.861 119.816 118.700 0.425 0.000 2.320 382 N HA 0.048 4.796 4.740 0.013 0.000 0.237 382 N C -0.746 174.914 175.510 0.250 0.000 1.129 382 N CA 0.038 53.336 53.050 0.413 0.000 0.854 382 N CB 0.595 39.391 38.487 0.514 0.000 1.083 382 N HN 0.167 nan 8.380 nan 0.000 0.504 383 N N 0.269 119.113 118.700 0.239 0.000 2.735 383 N HA -0.200 4.548 4.740 0.013 0.000 0.248 383 N C -0.949 174.517 175.510 -0.073 0.000 1.083 383 N CA 0.883 54.020 53.050 0.145 0.000 0.703 383 N CB -1.718 36.766 38.487 -0.005 0.000 1.005 383 N HN 0.270 nan 8.380 nan 0.000 0.550 384 F N 0.794 120.767 119.950 0.038 0.000 2.397 384 F HA 0.362 4.897 4.527 0.013 0.000 0.331 384 F C 1.667 177.462 175.800 -0.009 0.000 1.090 384 F CA -0.718 57.284 58.000 0.003 0.000 1.065 384 F CB 1.043 40.020 39.000 -0.038 0.000 1.184 384 F HN 0.045 nan 8.300 nan 0.000 0.499 385 N N 0.543 119.360 118.700 0.195 0.000 2.143 385 N HA 0.445 5.193 4.740 0.013 0.000 0.229 385 N C -0.935 174.630 175.510 0.093 0.000 1.294 385 N CA -0.035 53.059 53.050 0.074 0.000 0.883 385 N CB 0.769 39.344 38.487 0.146 0.000 1.148 385 N HN 0.480 nan 8.380 nan 0.000 0.511 386 A N -0.496 122.444 122.820 0.200 0.000 2.594 386 A HA 0.770 5.098 4.320 0.013 0.000 0.295 386 A C -1.752 176.051 177.584 0.364 0.000 1.071 386 A CA -0.689 51.528 52.037 0.299 0.000 0.685 386 A CB 1.835 21.023 19.000 0.315 0.000 1.285 386 A HN 0.272 nan 8.150 nan 0.000 0.405 387 V N 1.127 121.324 119.914 0.472 0.000 2.971 387 V HA 0.803 4.931 4.120 0.013 0.000 0.309 387 V C -0.773 175.503 176.094 0.303 0.000 1.130 387 V CA -0.728 61.810 62.300 0.397 0.000 0.964 387 V CB 1.952 33.938 31.823 0.272 0.000 1.029 387 V HN 1.095 nan 8.190 nan 0.000 0.427 388 R N 4.727 125.249 120.500 0.037 0.000 2.387 388 R HA 0.477 4.825 4.340 0.013 0.000 0.314 388 R C -0.749 175.433 176.300 -0.196 0.000 0.958 388 R CA -0.509 55.426 56.100 -0.274 0.000 0.846 388 R CB 1.138 31.042 30.300 -0.660 0.000 1.147 388 R HN 0.833 nan 8.270 nan 0.000 0.447 389 C N 4.236 123.453 119.300 -0.137 0.000 3.329 389 C HA 0.084 4.552 4.460 0.013 0.000 0.537 389 C C 0.717 175.460 174.990 -0.412 0.000 1.034 389 C CA -0.404 58.479 59.018 -0.226 0.000 1.086 389 C CB -2.140 25.584 27.740 -0.026 0.000 1.392 389 C HN 0.687 nan 8.230 nan 0.000 0.612 390 S N 1.492 116.832 115.700 -0.600 0.000 2.443 390 S HA 0.171 4.648 4.470 0.013 0.000 0.284 390 S C -0.147 173.535 174.600 -1.530 0.000 1.206 390 S CA 0.154 57.769 58.200 -0.976 0.000 1.074 390 S CB 0.024 62.618 63.200 -1.009 0.000 0.963 390 S HN 0.724 nan 8.310 nan 0.000 0.501 391 H N 3.969 122.429 119.070 -1.018 0.000 2.439 391 H HA 0.328 4.892 4.556 0.013 0.000 0.228 391 H C -1.061 174.139 175.328 -0.213 0.000 1.423 391 H CA -0.367 55.461 56.048 -0.368 0.000 1.386 391 H CB -0.132 29.608 29.762 -0.036 0.000 1.641 391 H HN 0.885 nan 8.280 nan 0.000 0.508 392 Y N -2.615 117.782 120.300 0.162 0.000 2.774 392 Y HA 0.427 4.985 4.550 0.014 0.000 0.346 392 Y C -3.397 172.608 175.900 0.175 0.000 1.222 392 Y CA -3.194 55.011 58.100 0.175 0.000 1.088 392 Y CB -0.001 38.567 38.460 0.181 0.000 1.354 392 Y HN -0.092 nan 8.280 nan 0.000 0.455 393 P HA 0.233 nan 4.420 nan 0.000 0.271 393 P C -0.730 176.857 177.300 0.478 0.000 1.220 393 P CA 0.229 63.586 63.100 0.429 0.000 0.768 393 P CB 0.586 32.459 31.700 0.290 0.000 0.848 394 N N 1.051 120.043 118.700 0.486 0.000 2.379 394 N HA 0.064 4.812 4.740 0.013 0.000 0.260 394 N C 0.096 175.820 175.510 0.356 0.000 1.254 394 N CA -0.241 52.996 53.050 0.312 0.000 0.958 394 N CB -0.011 38.450 38.487 -0.042 0.000 1.208 394 N HN 0.478 nan 8.380 nan 0.000 0.532 395 H N 2.130 121.284 119.070 0.139 0.000 3.001 395 H HA -0.004 4.560 4.556 0.013 0.000 0.334 395 H C -1.523 173.945 175.328 0.233 0.000 1.034 395 H CA -0.902 55.218 56.048 0.119 0.000 1.420 395 H CB 0.787 30.589 29.762 0.066 0.000 1.405 395 H HN 0.414 nan 8.280 nan 0.000 0.593 396 P HA -0.223 nan 4.420 nan 0.000 0.217 396 P C 1.781 179.371 177.300 0.483 0.000 1.148 396 P CA 0.757 64.096 63.100 0.399 0.000 0.828 396 P CB 0.266 32.057 31.700 0.151 0.000 0.783 397 L N -0.948 120.634 121.223 0.599 0.000 2.191 397 L HA -0.052 4.296 4.340 0.013 0.000 0.212 397 L C 2.440 179.453 176.870 0.238 0.000 1.103 397 L CA 1.357 56.411 54.840 0.358 0.000 0.769 397 L CB -1.462 40.746 42.059 0.249 0.000 0.908 397 L HN 0.032 nan 8.230 nan 0.000 0.438 398 W N -0.533 120.767 121.300 -0.000 0.000 2.335 398 W HA -0.327 4.341 4.660 0.012 0.000 0.311 398 W C 2.088 178.438 176.519 -0.281 0.000 1.213 398 W CA 1.896 59.117 57.345 -0.207 0.000 1.274 398 W CB -0.383 28.852 29.460 -0.376 0.000 1.148 398 W HN 0.260 nan 8.180 nan 0.000 0.498 399 Y N 0.897 121.122 120.300 -0.125 0.000 2.224 399 Y HA -0.214 4.344 4.550 0.013 0.000 0.289 399 Y C 2.864 178.523 175.900 -0.402 0.000 1.146 399 Y CA 2.216 60.032 58.100 -0.472 0.000 1.182 399 Y CB -1.281 36.592 38.460 -0.979 0.000 0.983 399 Y HN -0.211 nan 8.280 nan 0.000 0.524 400 T N 0.644 115.177 114.554 -0.036 0.000 2.746 400 T HA -0.158 4.200 4.350 0.013 0.000 0.267 400 T C 2.013 176.726 174.700 0.023 0.000 1.039 400 T CA 1.413 63.573 62.100 0.099 0.000 1.142 400 T CB -0.543 68.436 68.868 0.186 0.000 0.866 400 T HN 0.239 nan 8.240 nan 0.000 0.444 401 L N 0.263 121.463 121.223 -0.038 0.000 2.093 401 L HA -0.083 4.265 4.340 0.013 0.000 0.208 401 L C 2.852 179.694 176.870 -0.047 0.000 1.085 401 L CA 0.842 55.688 54.840 0.010 0.000 0.755 401 L CB -0.687 41.362 42.059 -0.015 0.000 0.904 401 L HN 0.378 nan 8.230 nan 0.000 0.435 402 C N -0.135 118.976 119.300 -0.315 0.000 2.440 402 C HA -0.128 4.340 4.460 0.013 0.000 0.278 402 C C 2.427 177.447 174.990 0.051 0.000 1.295 402 C CA 0.404 59.265 59.018 -0.260 0.000 1.738 402 C CB -0.721 26.750 27.740 -0.449 0.000 1.987 402 C HN 0.546 nan 8.230 nan 0.000 0.492 403 D N 0.561 120.990 120.400 0.048 0.000 2.117 403 D HA -0.100 4.548 4.640 0.013 0.000 0.197 403 D C 2.349 178.827 176.300 0.296 0.000 0.987 403 D CA 1.197 55.290 54.000 0.154 0.000 0.829 403 D CB -0.384 40.456 40.800 0.068 0.000 0.961 403 D HN 0.542 nan 8.370 nan 0.000 0.460 404 R N -0.747 119.823 120.500 0.115 0.000 2.093 404 R HA -0.028 4.320 4.340 0.013 0.000 0.224 404 R C 2.169 178.420 176.300 -0.081 0.000 1.101 404 R CA 0.654 56.756 56.100 0.002 0.000 0.979 404 R CB -0.195 30.020 30.300 -0.143 0.000 0.877 404 R HN 0.249 nan 8.270 nan 0.000 0.441 405 Y N -0.027 120.280 120.300 0.012 0.000 2.420 405 Y HA 0.184 4.741 4.550 0.013 0.000 0.292 405 Y C 1.054 176.883 175.900 -0.118 0.000 1.119 405 Y CA 0.892 58.969 58.100 -0.038 0.000 1.229 405 Y CB 0.392 38.801 38.460 -0.085 0.000 1.026 405 Y HN 0.244 nan 8.280 nan 0.000 0.554 406 G N 1.047 109.883 108.800 0.061 0.000 2.830 406 G HA2 -0.139 3.829 3.960 0.013 0.000 0.298 406 G HA3 -0.139 3.829 3.960 0.013 0.000 0.298 406 G C -1.153 173.596 174.900 -0.252 0.000 1.031 406 G CA -0.480 44.531 45.100 -0.148 0.000 1.179 406 G HN 0.172 nan 8.290 nan 0.000 0.527 407 L N 1.542 122.689 121.223 -0.127 0.000 2.493 407 L HA 0.440 4.788 4.340 0.013 0.000 0.265 407 L C -0.306 176.576 176.870 0.020 0.000 0.954 407 L CA -1.336 53.403 54.840 -0.170 0.000 0.844 407 L CB 1.768 43.742 42.059 -0.141 0.000 1.302 407 L HN 0.389 nan 8.230 nan 0.000 0.405 408 Y N 2.152 122.581 120.300 0.215 0.000 2.411 408 Y HA 0.357 4.917 4.550 0.016 0.000 0.333 408 Y C 0.327 176.371 175.900 0.239 0.000 1.186 408 Y CA -0.389 57.877 58.100 0.276 0.000 1.381 408 Y CB 0.919 39.514 38.460 0.226 0.000 1.273 408 Y HN 0.126 nan 8.280 nan 0.000 0.546 409 V N 3.636 123.764 119.914 0.356 0.000 2.588 409 V HA 0.367 4.495 4.120 0.013 0.000 0.304 409 V C -0.773 175.427 176.094 0.177 0.000 1.042 409 V CA -1.075 61.380 62.300 0.257 0.000 0.877 409 V CB 2.060 34.008 31.823 0.209 0.000 0.996 409 V HN 0.452 nan 8.190 nan 0.000 0.425 410 V N 3.343 123.337 119.914 0.132 0.000 2.318 410 V HA 0.305 4.433 4.120 0.013 0.000 0.271 410 V C -0.200 175.954 176.094 0.100 0.000 1.030 410 V CA -0.373 61.950 62.300 0.039 0.000 0.844 410 V CB 1.296 33.033 31.823 -0.144 0.000 1.015 410 V HN 0.865 nan 8.190 nan 0.000 0.460 411 D N 4.222 124.716 120.400 0.157 0.000 2.312 411 D HA 0.234 4.882 4.640 0.013 0.000 0.252 411 D C -0.101 176.402 176.300 0.338 0.000 1.150 411 D CA 0.081 54.273 54.000 0.319 0.000 0.870 411 D CB 1.118 42.160 40.800 0.403 0.000 1.153 411 D HN 0.680 nan 8.370 nan 0.000 0.457 412 E N 1.898 122.258 120.200 0.267 0.000 2.176 412 E HA 0.589 4.947 4.350 0.013 0.000 0.267 412 E C -0.974 175.766 176.600 0.233 0.000 0.893 412 E CA -1.070 55.469 56.400 0.231 0.000 0.761 412 E CB 1.265 31.058 29.700 0.155 0.000 1.133 412 E HN 0.468 nan 8.360 nan 0.000 0.409 413 A N 4.025 126.971 122.820 0.210 0.000 2.531 413 A HA 0.001 4.329 4.320 0.013 0.000 0.236 413 A C 0.343 178.050 177.584 0.205 0.000 1.062 413 A CA -0.123 52.016 52.037 0.170 0.000 0.760 413 A CB 0.047 19.112 19.000 0.109 0.000 0.995 413 A HN 0.707 nan 8.150 nan 0.000 0.501 414 N N 1.690 120.522 118.700 0.220 0.000 2.971 414 N HA 0.245 4.993 4.740 0.013 0.000 0.294 414 N C -0.962 174.678 175.510 0.218 0.000 1.210 414 N CA 0.260 53.475 53.050 0.275 0.000 1.157 414 N CB -0.824 37.828 38.487 0.275 0.000 1.450 414 N HN 0.475 nan 8.380 nan 0.000 0.527 415 I N 0.993 121.686 120.570 0.205 0.000 2.529 415 I HA 0.257 4.435 4.170 0.013 0.000 0.284 415 I C -0.665 175.553 176.117 0.168 0.000 1.088 415 I CA -0.570 60.832 61.300 0.170 0.000 1.062 415 I CB 1.724 39.797 38.000 0.123 0.000 1.218 415 I HN 0.256 nan 8.210 nan 0.000 0.442 416 E N 4.295 124.592 120.200 0.161 0.000 2.287 416 E HA 0.387 4.745 4.350 0.013 0.000 0.274 416 E C -0.646 176.024 176.600 0.117 0.000 0.896 416 E CA -0.433 56.036 56.400 0.116 0.000 0.788 416 E CB 1.768 31.522 29.700 0.090 0.000 1.244 416 E HN 0.603 nan 8.360 nan 0.000 0.408 417 T N 0.585 115.197 114.554 0.098 0.000 3.448 417 T HA 0.173 4.531 4.350 0.013 0.000 0.271 417 T C 0.830 175.583 174.700 0.088 0.000 1.002 417 T CA -0.381 61.802 62.100 0.138 0.000 0.995 417 T CB -0.236 68.692 68.868 0.100 0.000 1.153 417 T HN 0.640 nan 8.240 nan 0.000 0.510 418 H N 1.304 120.297 119.070 -0.129 0.000 2.353 418 H HA -0.052 4.512 4.556 0.014 0.000 0.298 418 H C 2.368 177.582 175.328 -0.190 0.000 1.103 418 H CA 1.336 57.283 56.048 -0.168 0.000 1.293 418 H CB -0.196 29.437 29.762 -0.215 0.000 1.372 418 H HN 0.590 nan 8.280 nan 0.000 0.501 419 G N 0.351 109.004 108.800 -0.245 0.000 2.625 419 G HA2 -0.094 3.874 3.960 0.013 0.000 0.214 419 G HA3 -0.094 3.874 3.960 0.013 0.000 0.214 419 G C 0.532 175.542 174.900 0.183 0.000 1.132 419 G CA -0.033 44.962 45.100 -0.176 0.000 0.782 419 G HN 0.161 nan 8.290 nan 0.000 0.538 420 M N 0.232 119.979 119.600 0.245 0.000 2.226 420 M HA 0.337 4.824 4.480 0.013 0.000 0.324 420 M C -0.407 175.936 176.300 0.071 0.000 1.112 420 M CA -0.268 55.132 55.300 0.167 0.000 1.176 420 M CB 1.410 34.068 32.600 0.096 0.000 1.430 420 M HN -0.198 nan 8.290 nan 0.000 0.462 421 V N 3.875 123.810 119.914 0.035 0.000 2.462 421 V HA 0.337 4.465 4.120 0.013 0.000 0.288 421 V C -1.949 174.145 176.094 -0.001 0.000 1.020 421 V CA -1.252 61.055 62.300 0.011 0.000 0.857 421 V CB 1.713 33.537 31.823 0.002 0.000 1.013 421 V HN 0.742 nan 8.190 nan 0.000 0.431 422 P HA 0.228 nan 4.420 nan 0.000 0.275 422 P C 0.991 178.301 177.300 0.016 0.000 1.266 422 P CA -0.532 62.572 63.100 0.006 0.000 0.793 422 P CB 1.162 32.866 31.700 0.006 0.000 1.074 423 M N 0.730 120.346 119.600 0.026 0.000 2.346 423 M HA -0.164 4.324 4.480 0.013 0.000 0.263 423 M C 1.246 177.574 176.300 0.046 0.000 1.064 423 M CA 1.712 57.037 55.300 0.041 0.000 1.083 423 M CB -0.418 32.196 32.600 0.024 0.000 1.399 423 M HN 0.368 nan 8.290 nan 0.000 0.435 424 N N -0.221 118.505 118.700 0.043 0.000 2.235 424 N HA -0.064 4.684 4.740 0.013 0.000 0.209 424 N C 1.191 176.688 175.510 -0.020 0.000 1.122 424 N CA 0.064 53.140 53.050 0.044 0.000 0.845 424 N CB -0.631 37.903 38.487 0.080 0.000 1.004 424 N HN 0.381 nan 8.380 nan 0.000 0.499 425 R N 0.518 120.993 120.500 -0.042 0.000 2.117 425 R HA -0.011 4.337 4.340 0.013 0.000 0.243 425 R C 1.499 177.711 176.300 -0.147 0.000 1.143 425 R CA 1.293 57.347 56.100 -0.077 0.000 0.968 425 R CB -0.006 30.248 30.300 -0.077 0.000 0.863 425 R HN 0.263 nan 8.270 nan 0.000 0.444 426 L N -0.652 120.421 121.223 -0.251 0.000 2.168 426 L HA -0.023 4.325 4.340 0.013 0.000 0.203 426 L C 2.539 179.268 176.870 -0.235 0.000 1.078 426 L CA 1.362 55.924 54.840 -0.463 0.000 0.780 426 L CB -0.621 40.913 42.059 -0.875 0.000 0.939 426 L HN 0.356 nan 8.230 nan 0.000 0.451 427 T N -3.993 110.454 114.554 -0.179 0.000 2.962 427 T HA -0.194 4.164 4.350 0.013 0.000 0.270 427 T C 1.286 175.899 174.700 -0.144 0.000 1.088 427 T CA 1.411 63.393 62.100 -0.196 0.000 1.127 427 T CB -0.261 68.438 68.868 -0.282 0.000 0.883 427 T HN 0.139 nan 8.240 nan 0.000 0.493 428 D N 1.070 121.422 120.400 -0.081 0.000 2.349 428 D HA 0.092 4.740 4.640 0.013 0.000 0.214 428 D C -0.226 176.058 176.300 -0.026 0.000 1.063 428 D CA -0.229 53.736 54.000 -0.059 0.000 0.847 428 D CB -0.093 40.679 40.800 -0.045 0.000 0.933 428 D HN 0.302 nan 8.370 nan 0.000 0.513 429 D N 0.108 120.508 120.400 -0.000 0.000 2.317 429 D HA 0.106 4.754 4.640 0.013 0.000 0.234 429 D C -1.549 174.799 176.300 0.080 0.000 1.112 429 D CA -2.238 51.797 54.000 0.058 0.000 0.840 429 D CB 1.875 42.754 40.800 0.131 0.000 1.078 429 D HN 0.001 nan 8.370 nan 0.000 0.486 430 P HA -0.153 nan 4.420 nan 0.000 0.221 430 P C 0.844 178.148 177.300 0.006 0.000 1.145 430 P CA 0.741 63.849 63.100 0.014 0.000 0.795 430 P CB 0.326 32.025 31.700 -0.003 0.000 0.775 431 R N -1.885 118.625 120.500 0.017 0.000 2.280 431 R HA -0.047 4.300 4.340 0.013 0.000 0.207 431 R C 1.520 177.703 176.300 -0.195 0.000 1.043 431 R CA 0.993 57.039 56.100 -0.089 0.000 1.006 431 R CB -0.475 29.760 30.300 -0.109 0.000 0.885 431 R HN 0.338 nan 8.270 nan 0.000 0.467 432 W N -0.150 121.097 121.300 -0.088 0.000 3.220 432 W HA 0.148 4.815 4.660 0.013 0.000 0.328 432 W C 1.520 177.984 176.519 -0.092 0.000 1.205 432 W CA -0.557 56.736 57.345 -0.087 0.000 1.773 432 W CB 0.063 29.470 29.460 -0.087 0.000 1.086 432 W HN -0.023 nan 8.180 nan 0.000 0.622 433 L N 2.224 123.484 121.223 0.062 0.000 2.013 433 L HA -0.092 4.256 4.340 0.013 0.000 0.212 433 L C -0.718 176.123 176.870 -0.048 0.000 1.073 433 L CA 2.382 57.216 54.840 -0.010 0.000 0.753 433 L CB -1.674 40.367 42.059 -0.031 0.000 0.890 433 L HN -0.223 nan 8.230 nan 0.000 0.432 434 P HA -0.162 nan 4.420 nan 0.000 0.214 434 P C 1.626 178.878 177.300 -0.080 0.000 1.163 434 P CA 2.183 65.226 63.100 -0.095 0.000 0.883 434 P CB -0.223 31.411 31.700 -0.111 0.000 0.788 435 A N -1.045 121.742 122.820 -0.054 0.000 1.883 435 A HA -0.222 4.105 4.320 0.013 0.000 0.217 435 A C 2.226 179.831 177.584 0.034 0.000 1.186 435 A CA 2.093 54.133 52.037 0.005 0.000 0.624 435 A CB -1.519 17.521 19.000 0.068 0.000 0.822 435 A HN 0.105 nan 8.150 nan 0.000 0.444 436 M N 0.329 119.958 119.600 0.048 0.000 2.117 436 M HA -0.155 4.333 4.480 0.013 0.000 0.262 436 M C 2.540 178.789 176.300 -0.084 0.000 1.065 436 M CA 1.819 57.121 55.300 0.003 0.000 1.114 436 M CB -0.433 32.151 32.600 -0.025 0.000 1.361 436 M HN 0.663 nan 8.290 nan 0.000 0.408 437 S N 0.317 115.935 115.700 -0.137 0.000 2.383 437 S HA -0.176 4.301 4.470 0.013 0.000 0.229 437 S C 1.586 176.007 174.600 -0.298 0.000 1.030 437 S CA 1.429 59.475 58.200 -0.257 0.000 1.002 437 S CB -0.655 62.370 63.200 -0.293 0.000 0.829 437 S HN 0.533 nan 8.310 nan 0.000 0.467 438 E N 1.142 121.222 120.200 -0.199 0.000 2.150 438 E HA -0.044 4.314 4.350 0.013 0.000 0.193 438 E C 2.367 178.879 176.600 -0.146 0.000 0.985 438 E CA 0.743 57.034 56.400 -0.182 0.000 0.814 438 E CB -0.151 29.479 29.700 -0.117 0.000 0.752 438 E HN 0.570 nan 8.360 nan 0.000 0.466 439 R N 0.222 120.668 120.500 -0.090 0.000 2.189 439 R HA -0.049 4.299 4.340 0.013 0.000 0.218 439 R C 2.146 178.407 176.300 -0.065 0.000 1.074 439 R CA 0.530 56.608 56.100 -0.037 0.000 0.991 439 R CB 0.138 30.456 30.300 0.029 0.000 0.883 439 R HN 0.016 nan 8.270 nan 0.000 0.457 440 V N -0.138 119.691 119.914 -0.143 0.000 2.436 440 V HA -0.153 3.975 4.120 0.013 0.000 0.240 440 V C 2.447 178.365 176.094 -0.293 0.000 1.040 440 V CA 2.005 64.200 62.300 -0.176 0.000 1.052 440 V CB -0.063 31.654 31.823 -0.176 0.000 0.707 440 V HN 0.477 nan 8.190 nan 0.000 0.469 441 T N -0.591 113.665 114.554 -0.498 0.000 2.746 441 T HA -0.244 4.114 4.350 0.013 0.000 0.267 441 T C 1.936 176.475 174.700 -0.270 0.000 1.039 441 T CA 1.444 63.161 62.100 -0.638 0.000 1.142 441 T CB -0.429 67.838 68.868 -1.002 0.000 0.866 441 T HN 0.380 nan 8.240 nan 0.000 0.444 442 R N 0.287 120.649 120.500 -0.230 0.000 2.148 442 R HA 0.170 4.518 4.340 0.013 0.000 0.227 442 R C 2.630 178.838 176.300 -0.154 0.000 1.103 442 R CA 1.369 57.369 56.100 -0.167 0.000 0.983 442 R CB -0.467 29.745 30.300 -0.145 0.000 0.874 442 R HN 0.511 nan 8.270 nan 0.000 0.451 443 M N 0.561 120.072 119.600 -0.147 0.000 2.077 443 M HA -0.137 4.351 4.480 0.013 0.000 0.261 443 M C 1.900 178.081 176.300 -0.197 0.000 1.070 443 M CA 1.649 56.884 55.300 -0.108 0.000 1.125 443 M CB 0.072 32.647 32.600 -0.043 0.000 1.339 443 M HN -0.040 nan 8.290 nan 0.000 0.409 444 V N 1.143 120.819 119.914 -0.396 0.000 2.287 444 V HA -0.303 3.825 4.120 0.013 0.000 0.248 444 V C 2.285 178.224 176.094 -0.258 0.000 1.053 444 V CA 2.103 64.030 62.300 -0.622 0.000 1.027 444 V CB -1.027 30.431 31.823 -0.609 0.000 0.646 444 V HN 0.597 nan 8.190 nan 0.000 0.447 445 Q N -0.757 118.942 119.800 -0.168 0.000 2.226 445 Q HA -0.211 4.137 4.340 0.013 0.000 0.204 445 Q C 2.448 178.337 176.000 -0.184 0.000 0.975 445 Q CA 1.370 57.086 55.803 -0.146 0.000 0.866 445 Q CB -0.153 28.532 28.738 -0.089 0.000 0.915 445 Q HN 0.542 nan 8.270 nan 0.000 0.440 446 R N 0.373 120.764 120.500 -0.182 0.000 2.075 446 R HA -0.072 4.276 4.340 0.013 0.000 0.220 446 R C 0.453 176.664 176.300 -0.147 0.000 1.118 446 R CA 1.223 57.200 56.100 -0.206 0.000 0.986 446 R CB 0.470 30.654 30.300 -0.192 0.000 0.884 446 R HN 0.172 nan 8.270 nan 0.000 0.439 447 D N 0.100 120.474 120.400 -0.043 0.000 2.395 447 D HA 0.002 4.649 4.640 0.013 0.000 0.213 447 D C 1.268 177.669 176.300 0.167 0.000 1.110 447 D CA 0.044 54.070 54.000 0.043 0.000 0.835 447 D CB 0.268 41.006 40.800 -0.103 0.000 0.965 447 D HN 0.377 nan 8.370 nan 0.000 0.505 448 R N 0.743 121.343 120.500 0.166 0.000 2.193 448 R HA -0.011 4.336 4.340 0.013 0.000 0.229 448 R C 0.890 177.181 176.300 -0.014 0.000 1.110 448 R CA 0.858 57.072 56.100 0.190 0.000 0.988 448 R CB -0.349 29.983 30.300 0.053 0.000 0.871 448 R HN -0.061 nan 8.270 nan 0.000 0.458 449 N N 0.285 118.901 118.700 -0.139 0.000 2.412 449 N HA -0.017 4.731 4.740 0.013 0.000 0.184 449 N C -0.360 175.029 175.510 -0.201 0.000 1.101 449 N CA 0.339 53.284 53.050 -0.175 0.000 0.881 449 N CB 0.015 38.373 38.487 -0.215 0.000 0.969 449 N HN 0.287 nan 8.380 nan 0.000 0.459 450 H N 1.685 120.687 119.070 -0.113 0.000 2.819 450 H HA 0.074 4.638 4.556 0.013 0.000 0.303 450 H C -1.136 174.036 175.328 -0.260 0.000 1.058 450 H CA -1.132 54.829 56.048 -0.145 0.000 1.471 450 H CB 1.332 31.036 29.762 -0.096 0.000 1.480 450 H HN 0.102 nan 8.280 nan 0.000 0.517 451 P HA -0.142 nan 4.420 nan 0.000 0.221 451 P C 1.429 178.230 177.300 -0.831 0.000 1.150 451 P CA 0.980 63.715 63.100 -0.608 0.000 0.800 451 P CB 0.336 31.486 31.700 -0.916 0.000 0.787 452 S N -0.374 114.940 115.700 -0.642 0.000 2.382 452 S HA -0.062 4.416 4.470 0.013 0.000 0.228 452 S C 1.163 175.749 174.600 -0.023 0.000 1.027 452 S CA 0.532 58.559 58.200 -0.287 0.000 0.991 452 S CB -1.635 61.544 63.200 -0.036 0.000 0.823 452 S HN -0.046 nan 8.310 nan 0.000 0.469 453 V N 3.790 123.655 119.914 -0.082 0.000 2.446 453 V HA 0.211 4.338 4.120 0.013 0.000 0.276 453 V C 1.111 177.077 176.094 -0.214 0.000 1.030 453 V CA 0.184 62.401 62.300 -0.139 0.000 1.033 453 V CB 0.305 31.932 31.823 -0.328 0.000 0.993 453 V HN 0.646 nan 8.190 nan 0.000 0.477 454 I N 2.503 123.005 120.570 -0.114 0.000 4.288 454 I HA 0.509 4.687 4.170 0.013 0.000 0.331 454 I C 0.316 176.331 176.117 -0.170 0.000 1.322 454 I CA 0.401 61.643 61.300 -0.098 0.000 1.149 454 I CB 0.513 38.544 38.000 0.053 0.000 1.112 454 I HN 0.317 nan 8.210 nan 0.000 0.403 455 I N 0.494 120.939 120.570 -0.210 0.000 2.607 455 I HA 0.345 4.523 4.170 0.013 0.000 0.290 455 I C -1.534 174.499 176.117 -0.139 0.000 1.129 455 I CA -0.385 60.832 61.300 -0.138 0.000 1.042 455 I CB 1.966 39.977 38.000 0.018 0.000 1.242 455 I HN 0.039 nan 8.210 nan 0.000 0.421 456 W N 4.122 125.474 121.300 0.086 0.000 2.438 456 W HA 0.579 5.245 4.660 0.011 0.000 0.324 456 W C 0.482 177.067 176.519 0.110 0.000 1.119 456 W CA -0.609 56.791 57.345 0.092 0.000 1.221 456 W CB 1.636 31.145 29.460 0.081 0.000 1.253 456 W HN 0.310 nan 8.180 nan 0.000 0.555 457 S N 2.946 118.883 115.700 0.395 0.000 2.502 457 S HA 0.370 4.848 4.470 0.013 0.000 0.304 457 S C 0.394 175.154 174.600 0.268 0.000 1.097 457 S CA -0.708 57.665 58.200 0.289 0.000 1.045 457 S CB 0.744 64.071 63.200 0.211 0.000 1.019 457 S HN 0.576 nan 8.310 nan 0.000 0.481 458 L N 4.210 125.581 121.223 0.246 0.000 2.610 458 L HA 0.301 4.649 4.340 0.013 0.000 0.232 458 L C 1.405 178.333 176.870 0.096 0.000 1.149 458 L CA 0.572 55.479 54.840 0.112 0.000 0.872 458 L CB -1.040 40.992 42.059 -0.045 0.000 0.992 458 L HN 0.961 nan 8.230 nan 0.000 0.447 459 G N -0.211 108.731 108.800 0.237 0.000 2.250 459 G HA2 -0.109 3.859 3.960 0.013 0.000 0.252 459 G HA3 -0.109 3.859 3.960 0.013 0.000 0.252 459 G C -1.715 173.361 174.900 0.294 0.000 1.325 459 G CA -0.602 44.644 45.100 0.243 0.000 1.091 459 G HN 0.134 nan 8.290 nan 0.000 0.476 460 N N 0.265 119.078 118.700 0.187 0.000 2.308 460 N HA 0.474 5.221 4.740 0.013 0.000 0.283 460 N C -0.456 175.010 175.510 -0.073 0.000 1.105 460 N CA 0.019 53.031 53.050 -0.064 0.000 0.840 460 N CB 1.657 39.800 38.487 -0.573 0.000 1.633 460 N HN 0.832 nan 8.380 nan 0.000 0.476 461 E N 0.729 120.805 120.200 -0.207 0.000 2.131 461 E HA -0.186 4.172 4.350 0.013 0.000 0.166 461 E C -0.778 175.761 176.600 -0.101 0.000 1.514 461 E CA 0.732 56.954 56.400 -0.296 0.000 0.646 461 E CB -1.271 28.038 29.700 -0.653 0.000 1.051 461 E HN 0.418 nan 8.360 nan 0.000 0.315 462 S N 0.041 115.816 115.700 0.125 0.000 2.941 462 S HA 0.390 4.868 4.470 0.013 0.000 0.251 462 S C 0.714 175.493 174.600 0.298 0.000 1.029 462 S CA -0.156 58.174 58.200 0.215 0.000 1.062 462 S CB 1.385 64.770 63.200 0.309 0.000 0.977 462 S HN 0.856 nan 8.310 nan 0.000 0.552 463 G N 2.026 110.932 108.800 0.177 0.000 2.575 463 G HA2 -0.271 3.696 3.960 0.013 0.000 0.267 463 G HA3 -0.271 3.696 3.960 0.013 0.000 0.267 463 G C -0.462 174.650 174.900 0.355 0.000 1.264 463 G CA 0.015 45.220 45.100 0.176 0.000 0.935 463 G HN 0.639 nan 8.290 nan 0.000 0.568 464 H N 0.423 119.624 119.070 0.218 0.000 2.924 464 H HA 0.560 5.124 4.556 0.013 0.000 0.333 464 H C 0.234 175.732 175.328 0.282 0.000 0.979 464 H CA -0.086 56.136 56.048 0.289 0.000 1.326 464 H CB 0.741 30.598 29.762 0.158 0.000 1.600 464 H HN 1.078 nan 8.280 nan 0.000 0.520 465 G N 1.441 110.337 108.800 0.160 0.000 2.569 465 G HA2 0.453 4.421 3.960 0.013 0.000 0.300 465 G HA3 0.453 4.421 3.960 0.013 0.000 0.300 465 G C 0.600 175.384 174.900 -0.194 0.000 1.269 465 G CA -0.150 44.881 45.100 -0.116 0.000 0.959 465 G HN 0.669 nan 8.290 nan 0.000 0.478 466 A N 0.454 123.182 122.820 -0.153 0.000 2.032 466 A HA -0.126 4.202 4.320 0.013 0.000 0.221 466 A C 2.144 179.704 177.584 -0.040 0.000 1.165 466 A CA 2.040 54.027 52.037 -0.084 0.000 0.645 466 A CB -0.440 18.532 19.000 -0.047 0.000 0.807 466 A HN 0.541 nan 8.150 nan 0.000 0.453 467 N N -0.421 118.226 118.700 -0.089 0.000 2.166 467 N HA -0.135 4.613 4.740 0.013 0.000 0.186 467 N C 1.422 176.882 175.510 -0.083 0.000 1.019 467 N CA 1.697 54.684 53.050 -0.105 0.000 0.856 467 N CB -0.677 37.706 38.487 -0.174 0.000 0.993 467 N HN 0.789 nan 8.380 nan 0.000 0.426 468 H N 0.291 119.343 119.070 -0.029 0.000 2.353 468 H HA -0.043 4.521 4.556 0.013 0.000 0.300 468 H C 1.205 176.598 175.328 0.108 0.000 1.090 468 H CA 1.336 57.373 56.048 -0.018 0.000 1.327 468 H CB 0.165 29.930 29.762 0.003 0.000 1.383 468 H HN 0.207 nan 8.280 nan 0.000 0.508 469 D N 0.250 120.802 120.400 0.253 0.000 2.117 469 D HA -0.115 4.533 4.640 0.013 0.000 0.197 469 D C 2.292 178.746 176.300 0.257 0.000 0.987 469 D CA 1.120 55.272 54.000 0.253 0.000 0.829 469 D CB -0.370 40.538 40.800 0.180 0.000 0.961 469 D HN 0.427 nan 8.370 nan 0.000 0.460 470 A N 0.920 123.839 122.820 0.163 0.000 1.877 470 A HA -0.110 4.218 4.320 0.013 0.000 0.216 470 A C 2.406 180.100 177.584 0.184 0.000 1.186 470 A CA 0.906 53.030 52.037 0.146 0.000 0.620 470 A CB -0.791 18.253 19.000 0.074 0.000 0.822 470 A HN 0.189 nan 8.150 nan 0.000 0.443 471 L N -1.914 119.399 121.223 0.150 0.000 2.141 471 L HA -0.152 4.196 4.340 0.013 0.000 0.209 471 L C 2.571 179.588 176.870 0.244 0.000 1.094 471 L CA 1.504 56.436 54.840 0.153 0.000 0.763 471 L CB -0.618 41.464 42.059 0.038 0.000 0.908 471 L HN 0.653 nan 8.230 nan 0.000 0.437 472 Y N 1.108 121.495 120.300 0.146 0.000 2.181 472 Y HA -0.299 4.257 4.550 0.010 0.000 0.288 472 Y C 2.763 178.749 175.900 0.143 0.000 1.146 472 Y CA 1.631 59.820 58.100 0.148 0.000 1.164 472 Y CB -0.123 38.425 38.460 0.147 0.000 0.982 472 Y HN -0.049 nan 8.280 nan 0.000 0.515 473 R N -0.206 120.390 120.500 0.160 0.000 2.092 473 R HA -0.171 4.177 4.340 0.013 0.000 0.231 473 R C 1.997 178.295 176.300 -0.002 0.000 1.119 473 R CA 1.772 57.891 56.100 0.032 0.000 0.970 473 R CB -1.313 29.089 30.300 0.171 0.000 0.864 473 R HN 0.644 nan 8.270 nan 0.000 0.440 474 W N 0.477 121.737 121.300 -0.068 0.000 2.338 474 W HA -0.137 4.531 4.660 0.014 0.000 0.304 474 W C 1.491 177.928 176.519 -0.136 0.000 1.212 474 W CA 1.874 59.169 57.345 -0.083 0.000 1.264 474 W CB -0.181 29.234 29.460 -0.074 0.000 1.142 474 W HN 0.068 nan 8.180 nan 0.000 0.512 475 I N 0.724 121.284 120.570 -0.016 0.000 2.163 475 I HA -0.332 3.846 4.170 0.013 0.000 0.240 475 I C 2.464 178.399 176.117 -0.304 0.000 1.081 475 I CA 1.311 62.474 61.300 -0.229 0.000 1.353 475 I CB -0.823 37.119 38.000 -0.096 0.000 1.054 475 I HN -0.160 nan 8.210 nan 0.000 0.407 476 K N 0.566 120.784 120.400 -0.303 0.000 2.160 476 K HA -0.206 4.122 4.320 0.013 0.000 0.206 476 K C 2.277 178.747 176.600 -0.217 0.000 1.047 476 K CA 1.755 57.886 56.287 -0.261 0.000 0.930 476 K CB -0.610 31.681 32.500 -0.349 0.000 0.720 476 K HN 0.325 nan 8.250 nan 0.000 0.450 477 S N 0.376 115.911 115.700 -0.275 0.000 2.362 477 S HA -0.062 4.416 4.470 0.013 0.000 0.221 477 S C 2.046 176.440 174.600 -0.343 0.000 1.032 477 S CA 0.950 58.988 58.200 -0.271 0.000 0.973 477 S CB -0.004 63.031 63.200 -0.275 0.000 0.849 477 S HN 0.041 nan 8.310 nan 0.000 0.465 478 V N 1.060 120.633 119.914 -0.568 0.000 2.591 478 V HA 0.126 4.254 4.120 0.013 0.000 0.249 478 V C 0.590 176.476 176.094 -0.346 0.000 1.053 478 V CA 1.445 63.401 62.300 -0.575 0.000 1.068 478 V CB -0.389 30.793 31.823 -1.068 0.000 0.689 478 V HN 0.554 nan 8.190 nan 0.000 0.462 479 D N -0.256 119.984 120.400 -0.267 0.000 2.363 479 D HA 0.226 4.873 4.640 0.013 0.000 0.258 479 D C -1.946 174.349 176.300 -0.007 0.000 1.259 479 D CA -1.672 52.280 54.000 -0.081 0.000 0.921 479 D CB 1.598 42.430 40.800 0.054 0.000 1.201 479 D HN 0.117 nan 8.370 nan 0.000 0.524 480 P HA -0.037 nan 4.420 nan 0.000 0.245 480 P C 0.964 178.281 177.300 0.030 0.000 1.212 480 P CA 0.291 63.386 63.100 -0.008 0.000 0.774 480 P CB 0.250 31.935 31.700 -0.024 0.000 0.999 481 S N -0.808 114.919 115.700 0.044 0.000 2.489 481 S HA 0.041 4.519 4.470 0.013 0.000 0.228 481 S C 0.994 175.619 174.600 0.042 0.000 0.995 481 S CA -0.148 58.081 58.200 0.049 0.000 0.934 481 S CB -0.370 62.854 63.200 0.040 0.000 0.771 481 S HN 0.118 nan 8.310 nan 0.000 0.522 482 R N 1.241 121.776 120.500 0.058 0.000 2.621 482 R HA 0.559 4.906 4.340 0.013 0.000 0.292 482 R C -3.214 173.132 176.300 0.076 0.000 0.969 482 R CA -2.315 53.788 56.100 0.005 0.000 0.887 482 R CB 1.405 31.581 30.300 -0.207 0.000 1.180 482 R HN 0.161 nan 8.270 nan 0.000 0.450 483 P HA 0.118 nan 4.420 nan 0.000 0.274 483 P C -0.846 176.552 177.300 0.164 0.000 1.231 483 P CA -0.413 62.747 63.100 0.101 0.000 0.790 483 P CB 0.759 32.504 31.700 0.074 0.000 0.951 484 V N 2.671 122.716 119.914 0.220 0.000 2.495 484 V HA 0.411 4.538 4.120 0.013 0.000 0.298 484 V C 0.167 176.446 176.094 0.310 0.000 1.031 484 V CA -0.302 62.178 62.300 0.300 0.000 0.871 484 V CB 1.187 33.181 31.823 0.285 0.000 0.988 484 V HN 0.609 nan 8.190 nan 0.000 0.432 485 Q N 3.845 123.804 119.800 0.265 0.000 2.458 485 Q HA 0.821 5.169 4.340 0.013 0.000 0.282 485 Q C -1.823 174.334 176.000 0.263 0.000 1.106 485 Q CA -0.938 54.986 55.803 0.202 0.000 0.814 485 Q CB 2.997 31.800 28.738 0.109 0.000 1.425 485 Q HN 0.624 nan 8.270 nan 0.000 0.437 486 Y N 0.035 120.336 120.300 0.002 0.000 2.337 486 Y HA 0.121 4.678 4.550 0.012 0.000 0.318 486 Y C -0.536 175.294 175.900 -0.116 0.000 1.258 486 Y CA -0.744 57.323 58.100 -0.055 0.000 1.132 486 Y CB 1.848 40.264 38.460 -0.073 0.000 1.307 486 Y HN 0.954 nan 8.280 nan 0.000 0.428 487 E N 3.480 123.221 120.200 -0.764 0.000 2.230 487 E HA 0.107 4.464 4.350 0.013 0.000 0.192 487 E C 0.738 176.887 176.600 -0.751 0.000 0.987 487 E CA 0.858 56.893 56.400 -0.607 0.000 0.841 487 E CB 0.164 29.633 29.700 -0.386 0.000 0.783 487 E HN 0.893 nan 8.360 nan 0.000 0.481 488 G N -0.116 107.823 108.800 -1.435 0.000 2.464 488 G HA2 0.192 4.160 3.960 0.013 0.000 0.231 488 G HA3 0.192 4.160 3.960 0.013 0.000 0.231 488 G C 0.829 175.558 174.900 -0.284 0.000 1.267 488 G CA 0.362 45.004 45.100 -0.762 0.000 0.863 488 G HN 0.377 nan 8.290 nan 0.000 0.559 489 G N -0.271 108.485 108.800 -0.073 0.000 2.153 489 G HA2 0.221 4.189 3.960 0.013 0.000 0.252 489 G HA3 0.221 4.189 3.960 0.013 0.000 0.252 489 G C 1.263 176.166 174.900 0.006 0.000 0.994 489 G CA 1.023 46.147 45.100 0.040 0.000 0.698 489 G HN 2.627 nan 8.290 nan 0.000 0.521 490 G N -1.698 107.096 108.800 -0.010 0.000 2.227 490 G HA2 0.447 4.415 3.960 0.013 0.000 0.168 490 G HA3 0.447 4.415 3.960 0.013 0.000 0.168 490 G C 1.046 176.052 174.900 0.178 0.000 1.006 490 G CA 1.285 46.446 45.100 0.102 0.000 0.684 490 G HN 2.308 nan 8.290 nan 0.000 0.489 491 A N -0.096 122.706 122.820 -0.031 0.000 3.721 491 A HA -0.160 4.168 4.320 0.013 0.000 0.270 491 A C 1.128 178.623 177.584 -0.148 0.000 1.036 491 A CA 2.687 54.644 52.037 -0.134 0.000 1.102 491 A CB -1.765 17.139 19.000 -0.161 0.000 1.100 491 A HN 2.079 nan 8.150 nan 0.000 0.887 492 D N -0.805 119.597 120.400 0.004 0.000 2.760 492 D HA 0.316 4.964 4.640 0.013 0.000 0.314 492 D C 0.436 176.726 176.300 -0.017 0.000 1.464 492 D CA 0.841 54.848 54.000 0.013 0.000 0.797 492 D CB -1.138 39.804 40.800 0.237 0.000 1.149 492 D HN 0.800 nan 8.370 nan 0.000 0.455 493 T N -2.428 112.042 114.554 -0.139 0.000 2.715 493 T HA 0.194 4.552 4.350 0.013 0.000 0.320 493 T C 1.574 176.150 174.700 -0.207 0.000 1.046 493 T CA 0.496 62.453 62.100 -0.238 0.000 0.983 493 T CB 0.599 69.047 68.868 -0.699 0.000 1.183 493 T HN 0.076 nan 8.240 nan 0.000 0.522 494 T N -2.642 111.801 114.554 -0.185 0.000 3.160 494 T HA 0.280 4.638 4.350 0.013 0.000 0.257 494 T C 1.509 175.961 174.700 -0.413 0.000 1.147 494 T CA 0.197 62.191 62.100 -0.176 0.000 1.064 494 T CB -0.437 68.411 68.868 -0.033 0.000 0.949 494 T HN 0.811 nan 8.240 nan 0.000 0.526 495 A N 0.547 123.149 122.820 -0.363 0.000 2.460 495 A HA 0.517 4.845 4.320 0.013 0.000 0.258 495 A C 0.799 178.206 177.584 -0.295 0.000 1.300 495 A CA -0.297 51.487 52.037 -0.421 0.000 0.913 495 A CB 0.035 19.066 19.000 0.052 0.000 1.031 495 A HN 0.417 nan 8.150 nan 0.000 0.512 496 T N -1.239 113.144 114.554 -0.285 0.000 3.032 496 T HA 0.339 4.696 4.350 0.013 0.000 0.312 496 T C -0.697 174.010 174.700 0.011 0.000 1.078 496 T CA -0.474 61.611 62.100 -0.024 0.000 1.028 496 T CB 1.140 69.989 68.868 -0.031 0.000 1.091 496 T HN 0.114 nan 8.240 nan 0.000 0.457 497 D N 3.127 123.617 120.400 0.150 0.000 2.349 497 D HA 0.230 4.878 4.640 0.013 0.000 0.215 497 D C 0.406 176.734 176.300 0.046 0.000 1.016 497 D CA 0.687 54.763 54.000 0.128 0.000 0.870 497 D CB 0.499 41.409 40.800 0.183 0.000 0.917 497 D HN 0.550 nan 8.370 nan 0.000 0.524 498 I N 1.100 121.679 120.570 0.014 0.000 2.533 498 I HA 0.249 4.426 4.170 0.013 0.000 0.290 498 I C -0.158 175.888 176.117 -0.118 0.000 1.056 498 I CA -0.892 60.383 61.300 -0.042 0.000 1.057 498 I CB 2.753 40.741 38.000 -0.019 0.000 1.240 498 I HN -0.357 nan 8.210 nan 0.000 0.423 499 I N 5.804 126.257 120.570 -0.196 0.000 2.494 499 I HA 0.011 4.188 4.170 0.013 0.000 0.289 499 I C 0.318 176.223 176.117 -0.353 0.000 1.106 499 I CA 0.075 61.154 61.300 -0.369 0.000 1.369 499 I CB 0.032 37.696 38.000 -0.559 0.000 1.410 499 I HN 0.688 nan 8.210 nan 0.000 0.523 500 C N 5.985 125.095 119.300 -0.316 0.000 3.276 500 C HA 0.464 4.932 4.460 0.013 0.000 0.226 500 C C -1.898 172.956 174.990 -0.226 0.000 1.502 500 C CA -2.285 56.601 59.018 -0.220 0.000 1.488 500 C CB -0.973 26.692 27.740 -0.124 0.000 2.014 500 C HN 0.450 nan 8.230 nan 0.000 0.492 501 P HA 0.278 nan 4.420 nan 0.000 0.273 501 P C -0.524 176.738 177.300 -0.063 0.000 1.250 501 P CA 0.379 63.389 63.100 -0.149 0.000 0.793 501 P CB 0.858 32.483 31.700 -0.126 0.000 1.011 502 M N -0.049 119.547 119.600 -0.007 0.000 2.190 502 M HA 0.427 4.915 4.480 0.013 0.000 0.312 502 M C -0.942 175.381 176.300 0.040 0.000 0.990 502 M CA -0.741 54.462 55.300 -0.162 0.000 0.927 502 M CB 1.300 33.807 32.600 -0.156 0.000 1.571 502 M HN 0.237 nan 8.290 nan 0.000 0.427 503 Y N -0.330 120.152 120.300 0.304 0.000 4.272 503 Y HA -0.200 4.359 4.550 0.014 0.000 0.232 503 Y C 0.491 176.570 175.900 0.298 0.000 1.149 503 Y CA 0.575 58.857 58.100 0.304 0.000 1.961 503 Y CB -2.435 36.189 38.460 0.273 0.000 1.611 503 Y HN 0.977 nan 8.280 nan 0.000 0.682 504 A N 0.891 123.936 122.820 0.376 0.000 2.425 504 A HA 0.610 4.938 4.320 0.013 0.000 0.249 504 A C 0.805 178.600 177.584 0.353 0.000 1.084 504 A CA -0.485 51.765 52.037 0.356 0.000 0.781 504 A CB 0.451 19.698 19.000 0.413 0.000 1.019 504 A HN 0.397 nan 8.150 nan 0.000 0.490 505 R N 1.237 121.871 120.500 0.224 0.000 2.546 505 R HA 0.348 4.696 4.340 0.013 0.000 0.266 505 R C 1.000 177.258 176.300 -0.070 0.000 1.086 505 R CA -0.738 55.424 56.100 0.104 0.000 1.160 505 R CB 0.584 30.914 30.300 0.049 0.000 1.138 505 R HN 0.481 nan 8.270 nan 0.000 0.567 506 V N 0.638 120.347 119.914 -0.342 0.000 2.283 506 V HA -0.194 3.934 4.120 0.013 0.000 0.243 506 V C 0.985 176.951 176.094 -0.215 0.000 1.039 506 V CA 1.884 63.942 62.300 -0.403 0.000 1.016 506 V CB -0.266 31.194 31.823 -0.605 0.000 0.650 506 V HN 0.750 nan 8.190 nan 0.000 0.449 507 D N -1.388 118.922 120.400 -0.150 0.000 2.455 507 D HA 0.085 4.733 4.640 0.013 0.000 0.228 507 D C 0.951 177.230 176.300 -0.036 0.000 1.070 507 D CA 0.032 53.982 54.000 -0.083 0.000 0.881 507 D CB 0.664 41.421 40.800 -0.072 0.000 1.087 507 D HN 0.501 nan 8.370 nan 0.000 0.498 508 E N 2.058 122.239 120.200 -0.032 0.000 2.229 508 E HA 0.095 4.453 4.350 0.013 0.000 0.283 508 E C -0.716 175.874 176.600 -0.016 0.000 1.030 508 E CA -0.547 55.843 56.400 -0.017 0.000 0.836 508 E CB 0.928 30.618 29.700 -0.016 0.000 1.068 508 E HN -0.177 nan 8.360 nan 0.000 0.401 509 D N 3.631 124.022 120.400 -0.014 0.000 2.329 509 D HA 0.133 4.781 4.640 0.013 0.000 0.246 509 D C -0.473 175.699 176.300 -0.213 0.000 1.111 509 D CA 0.099 54.075 54.000 -0.041 0.000 0.941 509 D CB 1.174 42.034 40.800 0.100 0.000 1.169 509 D HN 0.465 nan 8.370 nan 0.000 0.441 510 Q N 0.830 120.367 119.800 -0.439 0.000 3.244 510 Q HA 0.207 4.555 4.340 0.013 0.000 0.249 510 Q C -2.246 173.115 176.000 -1.065 0.000 0.951 510 Q CA -1.368 53.964 55.803 -0.786 0.000 0.740 510 Q CB 2.174 30.395 28.738 -0.860 0.000 1.334 510 Q HN 0.181 nan 8.270 nan 0.000 0.448 511 P HA -0.077 nan 4.420 nan 0.000 0.251 511 P C -0.627 176.402 177.300 -0.451 0.000 1.624 511 P CA 0.122 62.810 63.100 -0.686 0.000 0.907 511 P CB -0.564 30.952 31.700 -0.306 0.000 1.867 512 F N 1.549 121.314 119.950 -0.308 0.000 2.553 512 F HA 0.162 4.697 4.527 0.013 0.000 0.356 512 F C -1.330 174.370 175.800 -0.167 0.000 1.142 512 F CA -2.170 55.718 58.000 -0.186 0.000 1.322 512 F CB -1.140 37.770 39.000 -0.151 0.000 1.126 512 F HN 0.062 nan 8.300 nan 0.000 0.599 513 P HA 0.240 nan 4.420 nan 0.000 0.271 513 P C 0.257 177.578 177.300 0.036 0.000 1.216 513 P CA 1.299 64.423 63.100 0.041 0.000 0.776 513 P CB 1.090 32.812 31.700 0.036 0.000 0.881 514 A N 2.645 125.482 122.820 0.029 0.000 2.066 514 A HA -0.254 4.074 4.320 0.013 0.000 0.231 514 A C 0.800 178.404 177.584 0.033 0.000 0.465 514 A CA 2.065 54.123 52.037 0.036 0.000 1.110 514 A CB -2.730 16.290 19.000 0.033 0.000 1.434 514 A HN 0.658 nan 8.150 nan 0.000 0.706 515 V N -2.424 117.504 119.914 0.024 0.000 2.446 515 V HA 0.570 4.698 4.120 0.013 0.000 0.257 515 V C -2.088 174.008 176.094 0.004 0.000 1.036 515 V CA -1.266 61.049 62.300 0.026 0.000 1.196 515 V CB 0.458 32.296 31.823 0.026 0.000 1.446 515 V HN 0.590 nan 8.190 nan 0.000 0.558 516 P HA 0.259 nan 4.420 nan 0.000 0.272 516 P C -0.660 176.214 177.300 -0.709 0.000 1.223 516 P CA 0.029 62.773 63.100 -0.594 0.000 0.784 516 P CB 1.117 32.090 31.700 -1.210 0.000 0.923 517 K N 2.619 122.642 120.400 -0.629 0.000 2.419 517 K HA 0.211 4.539 4.320 0.013 0.000 0.244 517 K C -0.408 175.884 176.600 -0.514 0.000 1.045 517 K CA -0.298 55.797 56.287 -0.320 0.000 1.004 517 K CB 0.401 32.968 32.500 0.112 0.000 1.376 517 K HN 0.470 nan 8.250 nan 0.000 0.460 518 W N 1.574 122.580 121.300 -0.490 0.000 2.126 518 W HA 0.025 4.695 4.660 0.016 0.000 0.346 518 W C 1.211 177.724 176.519 -0.010 0.000 1.279 518 W CA -0.605 56.536 57.345 -0.340 0.000 1.259 518 W CB 0.436 29.536 29.460 -0.600 0.000 1.133 518 W HN 0.400 nan 8.180 nan 0.000 0.592 519 S N 2.546 118.388 115.700 0.236 0.000 2.549 519 S HA -0.008 4.470 4.470 0.013 0.000 0.286 519 S C 1.076 175.810 174.600 0.224 0.000 1.314 519 S CA -0.317 57.972 58.200 0.149 0.000 1.062 519 S CB 0.288 63.517 63.200 0.049 0.000 0.865 519 S HN 0.578 nan 8.310 nan 0.000 0.498 520 I N 0.123 120.799 120.570 0.177 0.000 2.248 520 I HA -0.247 3.931 4.170 0.013 0.000 0.248 520 I C 2.062 178.209 176.117 0.052 0.000 1.107 520 I CA 1.434 62.837 61.300 0.171 0.000 1.373 520 I CB -0.554 37.485 38.000 0.065 0.000 1.055 520 I HN 0.623 nan 8.210 nan 0.000 0.418 521 K N 1.468 121.796 120.400 -0.119 0.000 2.057 521 K HA -0.181 4.146 4.320 0.013 0.000 0.207 521 K C 2.312 178.914 176.600 0.003 0.000 1.049 521 K CA 1.856 57.993 56.287 -0.250 0.000 0.931 521 K CB -0.231 32.037 32.500 -0.387 0.000 0.714 521 K HN 0.403 nan 8.250 nan 0.000 0.440 522 K N 0.244 120.671 120.400 0.044 0.000 2.097 522 K HA -0.175 4.153 4.320 0.013 0.000 0.205 522 K C 1.945 178.587 176.600 0.071 0.000 1.050 522 K CA 0.901 57.207 56.287 0.032 0.000 0.938 522 K CB -0.078 32.416 32.500 -0.010 0.000 0.718 522 K HN 0.211 nan 8.250 nan 0.000 0.442 523 W N 2.097 123.406 121.300 0.015 0.000 2.333 523 W HA -0.213 4.452 4.660 0.009 0.000 0.316 523 W C 1.668 178.184 176.519 -0.005 0.000 1.215 523 W CA 1.283 58.650 57.345 0.037 0.000 1.278 523 W CB -0.759 28.780 29.460 0.133 0.000 1.154 523 W HN 0.100 nan 8.180 nan 0.000 0.486 524 L N 0.789 122.186 121.223 0.290 0.000 2.051 524 L HA -0.287 4.061 4.340 0.013 0.000 0.214 524 L C 2.217 179.162 176.870 0.125 0.000 1.076 524 L CA 2.180 57.117 54.840 0.162 0.000 0.758 524 L CB -1.198 40.941 42.059 0.133 0.000 0.890 524 L HN 0.010 nan 8.230 nan 0.000 0.433 525 S N -1.459 114.300 115.700 0.098 0.000 2.572 525 S HA 0.258 4.736 4.470 0.013 0.000 0.228 525 S C 0.567 175.163 174.600 -0.007 0.000 0.963 525 S CA -0.528 57.699 58.200 0.044 0.000 0.939 525 S CB -0.448 62.775 63.200 0.038 0.000 0.804 525 S HN 0.164 nan 8.310 nan 0.000 0.480 526 L N 2.114 123.325 121.223 -0.020 0.000 2.514 526 L HA 0.192 4.540 4.340 0.013 0.000 0.280 526 L C -2.200 174.641 176.870 -0.048 0.000 1.223 526 L CA -1.610 53.167 54.840 -0.105 0.000 0.864 526 L CB -0.347 41.620 42.059 -0.153 0.000 1.118 526 L HN 0.023 nan 8.230 nan 0.000 0.494 527 P HA -0.084 nan 4.420 nan 0.000 0.257 527 P C 0.768 178.062 177.300 -0.010 0.000 1.162 527 P CA 1.347 64.424 63.100 -0.037 0.000 0.762 527 P CB 0.392 32.063 31.700 -0.049 0.000 0.753 528 G N 2.036 110.838 108.800 0.003 0.000 2.267 528 G HA2 -0.285 3.683 3.960 0.013 0.000 0.257 528 G HA3 -0.285 3.683 3.960 0.013 0.000 0.257 528 G C 0.317 175.236 174.900 0.031 0.000 0.998 528 G CA 0.160 45.270 45.100 0.017 0.000 0.620 528 G HN 0.617 nan 8.290 nan 0.000 0.529 529 E N 1.216 121.441 120.200 0.043 0.000 2.360 529 E HA 0.563 4.921 4.350 0.013 0.000 0.269 529 E C 1.373 178.002 176.600 0.048 0.000 1.022 529 E CA 0.842 57.280 56.400 0.064 0.000 0.887 529 E CB 0.774 30.543 29.700 0.115 0.000 0.990 529 E HN 0.593 nan 8.360 nan 0.000 0.426 530 T N 0.604 115.181 114.554 0.039 0.000 3.080 530 T HA 0.316 4.674 4.350 0.013 0.000 0.280 530 T C 0.504 175.216 174.700 0.019 0.000 0.926 530 T CA -0.465 61.652 62.100 0.029 0.000 0.883 530 T CB 0.085 68.969 68.868 0.026 0.000 1.194 530 T HN 0.265 nan 8.240 nan 0.000 0.541 531 R N 2.537 123.044 120.500 0.011 0.000 2.637 531 R HA 0.457 4.805 4.340 0.013 0.000 0.269 531 R C -2.472 173.809 176.300 -0.031 0.000 1.089 531 R CA -1.811 54.283 56.100 -0.009 0.000 1.177 531 R CB 0.097 30.384 30.300 -0.021 0.000 1.091 531 R HN 0.263 nan 8.270 nan 0.000 0.540 532 P HA 0.096 nan 4.420 nan 0.000 0.276 532 P C -1.070 176.164 177.300 -0.110 0.000 1.244 532 P CA -0.184 62.878 63.100 -0.063 0.000 0.801 532 P CB 0.865 32.530 31.700 -0.058 0.000 1.006 533 L N 2.928 124.071 121.223 -0.133 0.000 2.325 533 L HA 0.567 4.915 4.340 0.013 0.000 0.281 533 L C -0.830 175.912 176.870 -0.212 0.000 1.004 533 L CA -0.750 53.974 54.840 -0.192 0.000 0.823 533 L CB 0.598 42.542 42.059 -0.192 0.000 1.236 533 L HN 0.254 nan 8.230 nan 0.000 0.415 534 I N 5.919 126.368 120.570 -0.202 0.000 2.497 534 I HA 0.234 4.411 4.170 0.013 0.000 0.284 534 I C -0.779 175.265 176.117 -0.121 0.000 1.060 534 I CA -0.593 60.583 61.300 -0.208 0.000 1.071 534 I CB 1.954 39.888 38.000 -0.110 0.000 1.216 534 I HN 0.474 nan 8.210 nan 0.000 0.442 535 L N 5.451 126.580 121.223 -0.158 0.000 2.462 535 L HA 0.024 4.372 4.340 0.013 0.000 0.272 535 L C 1.521 178.486 176.870 0.158 0.000 1.166 535 L CA -0.169 54.643 54.840 -0.046 0.000 0.880 535 L CB 0.552 42.558 42.059 -0.088 0.000 1.142 535 L HN 0.852 nan 8.230 nan 0.000 0.473 536 C N 0.217 119.579 119.300 0.103 0.000 2.448 536 C HA 0.145 4.613 4.460 0.013 0.000 0.280 536 C C 0.657 175.785 174.990 0.230 0.000 1.398 536 C CA -0.216 58.892 59.018 0.150 0.000 1.774 536 C CB -1.104 26.633 27.740 -0.005 0.000 1.888 536 C HN 0.833 nan 8.230 nan 0.000 0.519 537 E N -0.783 119.487 120.200 0.117 0.000 2.335 537 E HA 0.604 4.962 4.350 0.013 0.000 0.280 537 E C -1.422 175.091 176.600 -0.145 0.000 0.918 537 E CA -0.389 56.036 56.400 0.043 0.000 0.765 537 E CB 2.167 31.749 29.700 -0.198 0.000 1.218 537 E HN 0.567 nan 8.360 nan 0.000 0.425 538 Y N -0.691 119.550 120.300 -0.099 0.000 2.702 538 Y HA 0.586 5.145 4.550 0.015 0.000 0.336 538 Y C -0.953 175.093 175.900 0.243 0.000 1.203 538 Y CA -0.786 57.295 58.100 -0.032 0.000 1.072 538 Y CB 0.558 38.876 38.460 -0.236 0.000 1.327 538 Y HN 0.705 nan 8.280 nan 0.000 0.456 539 A N 2.274 125.162 122.820 0.113 0.000 2.237 539 A HA -0.233 4.095 4.320 0.013 0.000 0.281 539 A C -0.320 177.397 177.584 0.222 0.000 1.414 539 A CA 1.017 53.124 52.037 0.117 0.000 0.733 539 A CB -2.459 16.530 19.000 -0.018 0.000 1.168 539 A HN 1.263 nan 8.150 nan 0.000 0.347 540 H N 0.861 120.096 119.070 0.274 0.000 3.091 540 H HA 0.272 4.836 4.556 0.013 0.000 0.289 540 H C 1.131 176.535 175.328 0.127 0.000 0.995 540 H CA 0.902 57.118 56.048 0.280 0.000 1.461 540 H CB 0.667 30.490 29.762 0.101 0.000 1.510 540 H HN 0.833 nan 8.280 nan 0.000 0.546 541 A N 4.921 127.647 122.820 -0.156 0.000 2.579 541 A HA 0.328 4.656 4.320 0.013 0.000 0.273 541 A C 0.978 178.444 177.584 -0.196 0.000 1.363 541 A CA 0.111 52.050 52.037 -0.162 0.000 0.953 541 A CB -0.443 18.452 19.000 -0.175 0.000 1.034 541 A HN 0.723 nan 8.150 nan 0.000 0.536 542 A N 0.248 122.948 122.820 -0.200 0.000 2.438 542 A HA 0.527 4.855 4.320 0.013 0.000 0.280 542 A C 1.404 178.899 177.584 -0.149 0.000 1.160 542 A CA 0.576 52.545 52.037 -0.114 0.000 0.821 542 A CB -0.951 18.118 19.000 0.115 0.000 1.101 542 A HN 2.158 nan 8.150 nan 0.000 0.515 543 G N 2.518 111.176 108.800 -0.238 0.000 2.550 543 G HA2 -0.313 3.655 3.960 0.013 0.000 0.277 543 G HA3 -0.313 3.655 3.960 0.013 0.000 0.277 543 G C 0.407 174.809 174.900 -0.829 0.000 1.190 543 G CA 0.240 45.002 45.100 -0.564 0.000 0.971 543 G HN 1.183 nan 8.290 nan 0.000 0.559 544 N N 1.437 119.507 118.700 -1.051 0.000 2.549 544 N HA 0.448 5.196 4.740 0.013 0.000 0.267 544 N C 0.091 175.352 175.510 -0.415 0.000 1.182 544 N CA 1.129 53.725 53.050 -0.757 0.000 1.019 544 N CB 0.215 38.293 38.487 -0.681 0.000 1.380 544 N HN 0.747 nan 8.380 nan 0.000 0.505 545 S N 1.674 117.211 115.700 -0.271 0.000 2.971 545 S HA 0.610 5.087 4.470 0.013 0.000 0.320 545 S C -0.016 174.524 174.600 -0.101 0.000 1.111 545 S CA -0.394 57.710 58.200 -0.161 0.000 0.870 545 S CB 0.263 63.400 63.200 -0.106 0.000 1.331 545 S HN 0.359 nan 8.310 nan 0.000 0.635 546 L N 0.170 121.369 121.223 -0.039 0.000 4.192 546 L HA -0.054 4.293 4.340 0.013 0.000 0.403 546 L C 0.395 177.311 176.870 0.077 0.000 1.163 546 L CA 0.846 55.692 54.840 0.010 0.000 0.937 546 L CB -1.740 40.243 42.059 -0.126 0.000 2.134 546 L HN 0.682 nan 8.230 nan 0.000 0.754 547 G N -0.922 107.896 108.800 0.030 0.000 2.380 547 G HA2 0.510 4.478 3.960 0.013 0.000 0.262 547 G HA3 0.510 4.478 3.960 0.013 0.000 0.262 547 G C 1.172 176.122 174.900 0.084 0.000 1.243 547 G CA 0.136 45.228 45.100 -0.013 0.000 0.865 547 G HN 1.377 nan 8.290 nan 0.000 0.513 548 G N 1.375 110.221 108.800 0.076 0.000 2.141 548 G HA2 -0.312 3.656 3.960 0.013 0.000 0.242 548 G HA3 -0.312 3.656 3.960 0.013 0.000 0.242 548 G C 0.933 176.029 174.900 0.328 0.000 0.982 548 G CA 0.717 45.921 45.100 0.172 0.000 0.662 548 G HN 0.761 nan 8.290 nan 0.000 0.527 549 F N 1.684 121.764 119.950 0.217 0.000 2.134 549 F HA 0.195 4.731 4.527 0.014 0.000 0.299 549 F C 2.648 178.673 175.800 0.376 0.000 1.097 549 F CA 2.352 60.555 58.000 0.338 0.000 1.264 549 F CB -0.417 38.723 39.000 0.233 0.000 1.001 549 F HN 0.329 nan 8.300 nan 0.000 0.479 550 A N -0.190 122.814 122.820 0.308 0.000 2.024 550 A HA -0.256 4.072 4.320 0.013 0.000 0.220 550 A C 2.286 179.908 177.584 0.062 0.000 1.164 550 A CA 1.815 53.963 52.037 0.185 0.000 0.643 550 A CB -0.842 18.267 19.000 0.182 0.000 0.806 550 A HN 0.463 nan 8.150 nan 0.000 0.451 551 K N -1.789 118.626 120.400 0.025 0.000 2.148 551 K HA -0.164 4.164 4.320 0.013 0.000 0.204 551 K C 1.653 178.030 176.600 -0.372 0.000 1.050 551 K CA 1.457 57.668 56.287 -0.126 0.000 0.942 551 K CB -0.283 32.144 32.500 -0.121 0.000 0.724 551 K HN 0.548 nan 8.250 nan 0.000 0.446 552 Y N -0.798 119.219 120.300 -0.471 0.000 2.163 552 Y HA -0.189 4.368 4.550 0.012 0.000 0.288 552 Y C 1.862 176.802 175.900 -1.600 0.000 1.136 552 Y CA 1.534 58.977 58.100 -1.094 0.000 1.147 552 Y CB -0.372 37.418 38.460 -1.116 0.000 0.987 552 Y HN 0.145 nan 8.280 nan 0.000 0.509 553 W N 0.014 120.910 121.300 -0.674 0.000 2.392 553 W HA -0.171 4.498 4.660 0.015 0.000 0.279 553 W C 2.548 178.922 176.519 -0.241 0.000 1.225 553 W CA 1.314 58.418 57.345 -0.402 0.000 1.233 553 W CB -0.380 28.923 29.460 -0.262 0.000 1.122 553 W HN 0.063 nan 8.180 nan 0.000 0.561 554 Q N 0.744 120.472 119.800 -0.120 0.000 2.083 554 Q HA -0.123 4.225 4.340 0.013 0.000 0.198 554 Q C 2.200 178.148 176.000 -0.087 0.000 0.969 554 Q CA 1.889 57.659 55.803 -0.055 0.000 0.838 554 Q CB -0.522 28.193 28.738 -0.039 0.000 0.900 554 Q HN 0.262 nan 8.270 nan 0.000 0.436 555 A N 0.177 122.848 122.820 -0.249 0.000 1.898 555 A HA -0.125 4.203 4.320 0.013 0.000 0.216 555 A C 1.825 179.364 177.584 -0.076 0.000 1.181 555 A CA 1.118 53.019 52.037 -0.226 0.000 0.620 555 A CB -0.776 17.948 19.000 -0.459 0.000 0.819 555 A HN 0.353 nan 8.150 nan 0.000 0.442 556 F N 0.254 120.033 119.950 -0.284 0.000 2.126 556 F HA -0.115 4.419 4.527 0.013 0.000 0.299 556 F C 2.503 178.208 175.800 -0.158 0.000 1.096 556 F CA 1.297 59.096 58.000 -0.335 0.000 1.255 556 F CB -0.782 37.801 39.000 -0.694 0.000 0.997 556 F HN 0.184 nan 8.300 nan 0.000 0.479 557 R N -0.344 120.218 120.500 0.104 0.000 2.153 557 R HA -0.110 4.238 4.340 0.013 0.000 0.218 557 R C 2.080 178.417 176.300 0.062 0.000 1.072 557 R CA 0.897 57.038 56.100 0.069 0.000 0.990 557 R CB -0.343 29.993 30.300 0.060 0.000 0.889 557 R HN 0.396 nan 8.270 nan 0.000 0.452 558 Q N -0.197 119.670 119.800 0.112 0.000 2.163 558 Q HA -0.030 4.318 4.340 0.013 0.000 0.198 558 Q C -0.412 175.632 176.000 0.074 0.000 0.954 558 Q CA 0.788 56.653 55.803 0.104 0.000 0.851 558 Q CB 0.388 29.225 28.738 0.165 0.000 0.928 558 Q HN 0.170 nan 8.270 nan 0.000 0.459 559 Y N 0.612 120.896 120.300 -0.026 0.000 2.404 559 Y HA 0.254 4.811 4.550 0.011 0.000 0.344 559 Y C -1.779 174.100 175.900 -0.035 0.000 0.970 559 Y CA -2.769 55.316 58.100 -0.025 0.000 1.180 559 Y CB 1.233 39.683 38.460 -0.018 0.000 1.138 559 Y HN 0.172 nan 8.280 nan 0.000 0.510 560 P HA -0.192 nan 4.420 nan 0.000 0.215 560 P C 1.136 178.441 177.300 0.008 0.000 1.157 560 P CA 1.912 65.016 63.100 0.007 0.000 0.874 560 P CB 0.290 31.978 31.700 -0.019 0.000 0.790 561 R N -1.208 119.315 120.500 0.039 0.000 2.323 561 R HA 0.093 4.441 4.340 0.013 0.000 0.198 561 R C 0.409 176.697 176.300 -0.021 0.000 0.988 561 R CA 0.124 56.230 56.100 0.009 0.000 1.041 561 R CB -0.468 29.849 30.300 0.028 0.000 0.926 561 R HN 0.245 nan 8.270 nan 0.000 0.476 562 L N 1.855 123.083 121.223 0.009 0.000 2.302 562 L HA 0.139 4.487 4.340 0.013 0.000 0.285 562 L C 0.423 177.166 176.870 -0.211 0.000 1.090 562 L CA 0.150 54.956 54.840 -0.057 0.000 0.866 562 L CB 1.126 43.224 42.059 0.065 0.000 1.244 562 L HN 0.074 nan 8.230 nan 0.000 0.435 563 Q N 2.802 122.400 119.800 -0.336 0.000 2.211 563 Q HA 0.323 4.671 4.340 0.013 0.000 0.231 563 Q C 0.786 176.365 176.000 -0.702 0.000 0.865 563 Q CA 0.022 55.576 55.803 -0.416 0.000 0.997 563 Q CB 0.988 29.574 28.738 -0.253 0.000 1.101 563 Q HN 0.932 nan 8.270 nan 0.000 0.468 564 G N -0.542 107.424 108.800 -1.389 0.000 2.472 564 G HA2 0.102 4.070 3.960 0.013 0.000 0.205 564 G HA3 0.102 4.070 3.960 0.013 0.000 0.205 564 G C -0.274 173.843 174.900 -1.305 0.000 1.270 564 G CA -0.761 43.244 45.100 -1.825 0.000 0.974 564 G HN 0.587 nan 8.290 nan 0.000 0.542 565 G N -2.368 105.949 108.800 -0.805 0.000 2.342 565 G HA2 0.651 4.619 3.960 0.013 0.000 0.297 565 G HA3 0.651 4.619 3.960 0.013 0.000 0.297 565 G C -1.856 173.032 174.900 -0.021 0.000 1.313 565 G CA -0.240 44.645 45.100 -0.359 0.000 0.830 565 G HN 1.195 nan 8.290 nan 0.000 0.506 566 F N 0.789 120.989 119.950 0.417 0.000 2.445 566 F HA 0.506 5.040 4.527 0.012 0.000 0.348 566 F C 0.734 176.773 175.800 0.398 0.000 1.125 566 F CA -0.797 57.448 58.000 0.409 0.000 0.983 566 F CB 1.921 41.069 39.000 0.246 0.000 1.198 566 F HN 0.252 nan 8.300 nan 0.000 0.436 567 V N 3.258 123.431 119.914 0.431 0.000 2.788 567 V HA -0.171 3.957 4.120 0.013 0.000 0.307 567 V C -0.219 176.000 176.094 0.209 0.000 1.069 567 V CA -0.082 62.289 62.300 0.117 0.000 1.173 567 V CB 0.548 32.465 31.823 0.157 0.000 0.925 567 V HN 0.775 nan 8.190 nan 0.000 0.492 568 W N 6.682 128.035 121.300 0.088 0.000 2.296 568 W HA 0.475 5.143 4.660 0.012 0.000 0.316 568 W C -0.851 175.635 176.519 -0.056 0.000 1.022 568 W CA -0.709 56.708 57.345 0.121 0.000 1.324 568 W CB 1.342 31.012 29.460 0.349 0.000 1.227 568 W HN 0.928 nan 8.180 nan 0.000 0.409 569 D N 2.551 122.640 120.400 -0.518 0.000 2.895 569 D HA 0.102 4.749 4.640 0.013 0.000 0.320 569 D C 0.745 176.808 176.300 -0.394 0.000 1.249 569 D CA -0.520 53.059 54.000 -0.702 0.000 0.997 569 D CB 0.209 39.995 40.800 -1.689 0.000 1.430 569 D HN 0.373 nan 8.370 nan 0.000 0.558 570 W N 0.397 121.372 121.300 -0.541 0.000 2.413 570 W HA 0.140 4.808 4.660 0.013 0.000 0.315 570 W C -0.046 176.233 176.519 -0.400 0.000 1.186 570 W CA 1.261 58.343 57.345 -0.440 0.000 1.326 570 W CB 0.297 29.520 29.460 -0.395 0.000 1.153 570 W HN 0.149 nan 8.180 nan 0.000 0.489 571 V N 2.583 122.209 119.914 -0.481 0.000 2.656 571 V HA 0.244 4.371 4.120 0.013 0.000 0.307 571 V C -0.950 174.912 176.094 -0.387 0.000 1.051 571 V CA -0.758 61.216 62.300 -0.543 0.000 0.893 571 V CB 1.511 33.126 31.823 -0.347 0.000 0.999 571 V HN -0.102 nan 8.190 nan 0.000 0.426 572 D N 3.973 124.150 120.400 -0.371 0.000 2.493 572 D HA 0.099 4.747 4.640 0.013 0.000 0.240 572 D C 0.381 176.502 176.300 -0.297 0.000 1.142 572 D CA 0.719 54.569 54.000 -0.249 0.000 0.872 572 D CB 0.859 41.607 40.800 -0.087 0.000 1.173 572 D HN 0.614 nan 8.370 nan 0.000 0.467 573 Q N 1.199 120.762 119.800 -0.396 0.000 2.894 573 Q HA 0.117 4.465 4.340 0.013 0.000 0.358 573 Q C -0.077 175.847 176.000 -0.126 0.000 1.155 573 Q CA -0.311 55.043 55.803 -0.748 0.000 0.960 573 Q CB 0.043 28.456 28.738 -0.542 0.000 1.428 573 Q HN 0.384 nan 8.270 nan 0.000 0.437 574 S N -0.420 115.321 115.700 0.067 0.000 2.616 574 S HA 0.629 5.107 4.470 0.013 0.000 0.277 574 S C -0.094 174.652 174.600 0.243 0.000 1.234 574 S CA -0.764 57.600 58.200 0.272 0.000 1.028 574 S CB 1.438 64.793 63.200 0.257 0.000 0.988 574 S HN 0.307 nan 8.310 nan 0.000 0.522 575 L N 1.448 122.740 121.223 0.114 0.000 2.319 575 L HA 0.552 4.900 4.340 0.013 0.000 0.267 575 L C -0.453 176.324 176.870 -0.156 0.000 1.011 575 L CA -1.263 53.519 54.840 -0.096 0.000 0.818 575 L CB 1.442 43.294 42.059 -0.345 0.000 1.316 575 L HN 0.548 nan 8.230 nan 0.000 0.432 576 I N 1.942 122.356 120.570 -0.260 0.000 2.428 576 I HA 0.329 4.507 4.170 0.013 0.000 0.289 576 I C 0.040 175.750 176.117 -0.678 0.000 1.019 576 I CA -0.132 60.883 61.300 -0.475 0.000 1.351 576 I CB 1.162 38.894 38.000 -0.448 0.000 1.412 576 I HN 0.568 nan 8.210 nan 0.000 0.513 577 K N 5.074 124.782 120.400 -1.153 0.000 2.444 577 K HA 0.565 4.893 4.320 0.013 0.000 0.252 577 K C -1.669 174.103 176.600 -1.381 0.000 0.993 577 K CA -0.749 54.777 56.287 -1.269 0.000 0.847 577 K CB 2.603 34.018 32.500 -1.809 0.000 1.340 577 K HN 0.234 nan 8.250 nan 0.000 0.446 578 Y N 0.885 120.925 120.300 -0.433 0.000 2.376 578 Y HA 0.140 4.698 4.550 0.013 0.000 0.340 578 Y C -0.016 175.974 175.900 0.151 0.000 0.965 578 Y CA -1.143 56.891 58.100 -0.110 0.000 1.078 578 Y CB 1.285 39.701 38.460 -0.073 0.000 1.193 578 Y HN 0.656 nan 8.280 nan 0.000 0.452 579 D N 0.160 120.825 120.400 0.442 0.000 2.377 579 D HA 0.056 4.704 4.640 0.013 0.000 0.245 579 D C 0.525 176.945 176.300 0.200 0.000 1.196 579 D CA -0.420 53.785 54.000 0.340 0.000 0.962 579 D CB 0.675 41.618 40.800 0.240 0.000 1.127 579 D HN 0.661 nan 8.370 nan 0.000 0.471 580 E N -0.753 119.522 120.200 0.126 0.000 2.333 580 E HA -0.185 4.173 4.350 0.013 0.000 0.200 580 E C 0.596 177.235 176.600 0.065 0.000 1.010 580 E CA 0.735 57.181 56.400 0.077 0.000 0.841 580 E CB -0.220 29.508 29.700 0.046 0.000 0.757 580 E HN 0.374 nan 8.360 nan 0.000 0.508 581 N N -0.465 118.286 118.700 0.084 0.000 2.280 581 N HA 0.021 4.769 4.740 0.013 0.000 0.192 581 N C 1.045 176.601 175.510 0.077 0.000 1.109 581 N CA 0.797 53.888 53.050 0.067 0.000 0.855 581 N CB 1.365 39.891 38.487 0.065 0.000 0.974 581 N HN 0.273 nan 8.380 nan 0.000 0.482 582 G N 0.993 109.856 108.800 0.106 0.000 2.179 582 G HA2 -0.256 3.712 3.960 0.013 0.000 0.260 582 G HA3 -0.256 3.712 3.960 0.013 0.000 0.260 582 G C -0.011 175.023 174.900 0.224 0.000 0.977 582 G CA -0.264 44.892 45.100 0.094 0.000 0.641 582 G HN 0.290 nan 8.290 nan 0.000 0.533 583 N N 2.217 121.059 118.700 0.236 0.000 2.488 583 N HA 0.396 5.144 4.740 0.013 0.000 0.274 583 N C -2.349 173.336 175.510 0.291 0.000 1.111 583 N CA -0.810 52.386 53.050 0.244 0.000 0.974 583 N CB 1.696 40.288 38.487 0.175 0.000 1.089 583 N HN 0.271 nan 8.380 nan 0.000 0.465 584 P HA 0.319 nan 4.420 nan 0.000 0.281 584 P C -0.599 176.661 177.300 -0.067 0.000 1.249 584 P CA -0.419 62.540 63.100 -0.235 0.000 0.810 584 P CB 0.925 32.424 31.700 -0.334 0.000 1.008 585 W N -0.561 120.515 121.300 -0.375 0.000 3.083 585 W HA 0.431 5.099 4.660 0.013 0.000 0.333 585 W C -1.408 174.926 176.519 -0.307 0.000 1.217 585 W CA -1.121 56.005 57.345 -0.365 0.000 1.170 585 W CB 0.414 29.430 29.460 -0.739 0.000 1.437 585 W HN 0.128 nan 8.180 nan 0.000 0.557 586 S N 1.557 117.325 115.700 0.114 0.000 2.474 586 S HA 0.558 5.036 4.470 0.013 0.000 0.276 586 S C 0.223 175.000 174.600 0.296 0.000 1.227 586 S CA -0.237 58.033 58.200 0.117 0.000 1.050 586 S CB 0.762 64.085 63.200 0.204 0.000 0.939 586 S HN 0.596 nan 8.310 nan 0.000 0.490 587 A N 3.022 125.886 122.820 0.074 0.000 2.299 587 A HA 0.930 5.258 4.320 0.013 0.000 0.332 587 A C -0.716 177.138 177.584 0.450 0.000 1.131 587 A CA -0.715 51.424 52.037 0.169 0.000 0.844 587 A CB 0.714 19.510 19.000 -0.341 0.000 1.251 587 A HN 0.857 nan 8.150 nan 0.000 0.486 588 Y N -1.643 119.019 120.300 0.602 0.000 2.974 588 Y HA 0.728 5.287 4.550 0.013 0.000 0.310 588 Y C 0.602 176.915 175.900 0.689 0.000 1.526 588 Y CA -1.309 57.165 58.100 0.623 0.000 1.087 588 Y CB -0.040 38.601 38.460 0.303 0.000 1.404 588 Y HN 0.997 nan 8.280 nan 0.000 0.491 589 G N 0.074 109.300 108.800 0.711 0.000 2.138 589 G HA2 0.363 4.331 3.960 0.013 0.000 0.244 589 G HA3 0.363 4.331 3.960 0.013 0.000 0.244 589 G C 0.976 176.204 174.900 0.548 0.000 1.166 589 G CA 0.628 46.055 45.100 0.545 0.000 0.902 589 G HN 2.031 nan 8.290 nan 0.000 0.460 590 G N 2.254 111.336 108.800 0.470 0.000 2.241 590 G HA2 -0.262 3.705 3.960 0.013 0.000 0.244 590 G HA3 -0.262 3.705 3.960 0.013 0.000 0.244 590 G C 0.819 175.906 174.900 0.311 0.000 0.998 590 G CA 0.601 45.912 45.100 0.351 0.000 0.621 590 G HN 0.651 nan 8.290 nan 0.000 0.519 591 D N -0.182 120.422 120.400 0.339 0.000 2.363 591 D HA 0.233 4.881 4.640 0.013 0.000 0.226 591 D C 0.983 177.139 176.300 -0.241 0.000 1.020 591 D CA 0.357 54.386 54.000 0.049 0.000 0.892 591 D CB -0.174 40.596 40.800 -0.051 0.000 0.900 591 D HN 0.451 nan 8.370 nan 0.000 0.531 592 F N -0.834 119.240 119.950 0.205 0.000 2.764 592 F HA 0.318 4.853 4.527 0.013 0.000 0.310 592 F C 1.725 177.610 175.800 0.142 0.000 1.124 592 F CA -0.377 57.708 58.000 0.141 0.000 1.252 592 F CB 0.792 39.876 39.000 0.140 0.000 1.010 592 F HN -0.045 nan 8.300 nan 0.000 0.518 593 G N 0.446 109.396 108.800 0.250 0.000 2.179 593 G HA2 -0.285 3.683 3.960 0.013 0.000 0.260 593 G HA3 -0.285 3.683 3.960 0.013 0.000 0.260 593 G C -0.108 174.922 174.900 0.218 0.000 0.977 593 G CA 0.215 45.430 45.100 0.193 0.000 0.641 593 G HN 0.437 nan 8.290 nan 0.000 0.533 594 D N 0.398 120.975 120.400 0.295 0.000 2.383 594 D HA 0.495 5.143 4.640 0.013 0.000 0.252 594 D C 0.047 176.460 176.300 0.189 0.000 1.166 594 D CA 0.925 55.083 54.000 0.265 0.000 0.879 594 D CB 1.615 42.624 40.800 0.348 0.000 1.164 594 D HN 0.355 nan 8.370 nan 0.000 0.462 595 T N 1.405 116.041 114.554 0.136 0.000 3.159 595 T HA 0.401 4.759 4.350 0.013 0.000 0.343 595 T C -2.788 171.946 174.700 0.056 0.000 1.364 595 T CA -1.112 61.039 62.100 0.085 0.000 1.102 595 T CB 1.022 69.941 68.868 0.085 0.000 1.263 595 T HN 0.231 nan 8.240 nan 0.000 0.477 596 P HA 0.489 nan 4.420 nan 0.000 0.270 596 P C -0.929 176.351 177.300 -0.034 0.000 1.223 596 P CA -0.239 62.852 63.100 -0.014 0.000 0.785 596 P CB 0.341 32.011 31.700 -0.049 0.000 0.923 597 N N -1.593 117.077 118.700 -0.051 0.000 2.825 597 N HA 0.296 5.043 4.740 0.013 0.000 0.253 597 N C -1.223 174.206 175.510 -0.135 0.000 1.426 597 N CA -0.772 52.217 53.050 -0.102 0.000 0.851 597 N CB 0.915 39.432 38.487 0.050 0.000 1.470 597 N HN 0.085 nan 8.380 nan 0.000 0.517 598 D N -0.075 120.178 120.400 -0.245 0.000 2.593 598 D HA 0.232 4.880 4.640 0.013 0.000 0.241 598 D C 0.264 176.682 176.300 0.197 0.000 1.257 598 D CA -0.202 53.727 54.000 -0.120 0.000 0.828 598 D CB 0.214 40.841 40.800 -0.289 0.000 1.049 598 D HN 0.514 nan 8.370 nan 0.000 0.490 599 R N 0.870 121.537 120.500 0.278 0.000 3.707 599 R HA -0.275 4.073 4.340 0.013 0.000 0.504 599 R C 1.541 177.931 176.300 0.150 0.000 0.241 599 R CA 1.918 58.237 56.100 0.365 0.000 1.576 599 R CB -1.423 29.001 30.300 0.207 0.000 0.924 599 R HN 0.250 nan 8.270 nan 0.000 0.597 600 Q N 1.993 121.535 119.800 -0.431 0.000 2.515 600 Q HA -0.063 4.285 4.340 0.013 0.000 0.212 600 Q C 1.516 177.391 176.000 -0.208 0.000 0.970 600 Q CA 1.328 56.698 55.803 -0.721 0.000 0.941 600 Q CB -0.171 27.958 28.738 -1.014 0.000 0.998 600 Q HN 0.647 nan 8.270 nan 0.000 0.518 601 F N 1.570 121.447 119.950 -0.121 0.000 2.771 601 F HA -0.084 4.450 4.527 0.013 0.000 0.299 601 F C 1.664 177.439 175.800 -0.042 0.000 1.177 601 F CA 0.501 58.506 58.000 0.008 0.000 1.450 601 F CB 0.320 39.385 39.000 0.108 0.000 1.114 601 F HN 0.388 nan 8.300 nan 0.000 0.587 602 C N -0.655 118.355 119.300 -0.483 0.000 2.697 602 C HA 0.336 4.804 4.460 0.013 0.000 0.267 602 C C 0.707 175.450 174.990 -0.412 0.000 1.278 602 C CA -0.589 57.947 59.018 -0.805 0.000 1.708 602 C CB -1.671 25.061 27.740 -1.679 0.000 1.860 602 C HN 0.227 nan 8.230 nan 0.000 0.589 603 M N 2.641 122.075 119.600 -0.277 0.000 2.027 603 M HA 0.294 4.782 4.480 0.013 0.000 0.329 603 M C -0.681 175.518 176.300 -0.169 0.000 0.971 603 M CA 0.319 55.513 55.300 -0.178 0.000 0.933 603 M CB 0.121 32.675 32.600 -0.076 0.000 1.392 603 M HN 0.334 nan 8.290 nan 0.000 0.394 604 N N 0.831 119.403 118.700 -0.214 0.000 2.377 604 N HA 0.234 4.982 4.740 0.013 0.000 0.259 604 N C 0.219 175.534 175.510 -0.325 0.000 1.332 604 N CA -0.505 52.382 53.050 -0.272 0.000 0.877 604 N CB 1.237 39.545 38.487 -0.299 0.000 1.299 604 N HN 0.639 nan 8.380 nan 0.000 0.501 605 G N -0.188 108.409 108.800 -0.339 0.000 2.504 605 G HA2 0.377 4.345 3.960 0.013 0.000 0.288 605 G HA3 0.377 4.345 3.960 0.013 0.000 0.288 605 G C 0.614 175.143 174.900 -0.619 0.000 1.182 605 G CA -0.581 44.212 45.100 -0.513 0.000 0.894 605 G HN 0.158 nan 8.290 nan 0.000 0.521 606 L N -0.150 120.661 121.223 -0.688 0.000 2.492 606 L HA 0.156 4.504 4.340 0.013 0.000 0.223 606 L C 0.686 176.967 176.870 -0.981 0.000 1.132 606 L CA 0.248 54.715 54.840 -0.622 0.000 0.850 606 L CB -0.215 41.588 42.059 -0.427 0.000 0.966 606 L HN 0.392 nan 8.230 nan 0.000 0.454 607 V N -5.644 113.494 119.914 -1.292 0.000 3.078 607 V HA 0.493 4.621 4.120 0.013 0.000 0.311 607 V C -0.291 175.152 176.094 -1.085 0.000 1.138 607 V CA -1.254 60.347 62.300 -1.165 0.000 1.007 607 V CB 1.665 32.910 31.823 -0.963 0.000 1.045 607 V HN -0.175 nan 8.190 nan 0.000 0.432 608 F N 1.394 121.046 119.950 -0.497 0.000 2.435 608 F HA 0.606 5.141 4.527 0.014 0.000 0.316 608 F C 1.922 177.595 175.800 -0.211 0.000 1.220 608 F CA 0.622 58.508 58.000 -0.190 0.000 1.241 608 F CB 0.770 39.749 39.000 -0.036 0.000 1.234 608 F HN 0.791 nan 8.300 nan 0.000 0.569 609 A N 0.566 123.451 122.820 0.108 0.000 1.978 609 A HA -0.206 4.122 4.320 0.013 0.000 0.220 609 A C 1.559 179.105 177.584 -0.064 0.000 1.170 609 A CA 1.860 53.910 52.037 0.022 0.000 0.636 609 A CB -1.031 18.020 19.000 0.083 0.000 0.810 609 A HN 0.770 nan 8.150 nan 0.000 0.448 610 D N -2.929 117.454 120.400 -0.028 0.000 2.319 610 D HA 0.146 4.793 4.640 0.013 0.000 0.230 610 D C 0.628 176.905 176.300 -0.038 0.000 1.094 610 D CA -0.073 53.884 54.000 -0.071 0.000 0.856 610 D CB -0.125 40.641 40.800 -0.057 0.000 0.915 610 D HN 0.179 nan 8.370 nan 0.000 0.517 611 R N -1.672 118.798 120.500 -0.049 0.000 3.963 611 R HA -0.126 4.222 4.340 0.013 0.000 0.394 611 R C -0.385 175.893 176.300 -0.036 0.000 1.131 611 R CA 1.044 57.099 56.100 -0.076 0.000 1.059 611 R CB -3.238 27.061 30.300 -0.002 0.000 1.614 611 R HN 0.254 nan 8.270 nan 0.000 0.546 612 T N 2.135 116.724 114.554 0.057 0.000 2.901 612 T HA 0.337 4.695 4.350 0.013 0.000 0.301 612 T C -2.298 172.477 174.700 0.125 0.000 1.012 612 T CA -0.807 61.365 62.100 0.119 0.000 1.135 612 T CB 1.042 70.007 68.868 0.161 0.000 0.936 612 T HN -0.092 nan 8.240 nan 0.000 0.539 613 P HA 0.182 nan 4.420 nan 0.000 0.275 613 P C -0.179 177.133 177.300 0.019 0.000 1.227 613 P CA -0.197 62.868 63.100 -0.058 0.000 0.781 613 P CB 0.409 32.098 31.700 -0.018 0.000 0.906 614 H N 3.012 121.910 119.070 -0.287 0.000 2.508 614 H HA 0.121 4.685 4.556 0.013 0.000 0.358 614 H C -1.298 173.936 175.328 -0.157 0.000 1.212 614 H CA -1.928 53.929 56.048 -0.319 0.000 1.356 614 H CB 0.492 30.027 29.762 -0.378 0.000 1.525 614 H HN 0.353 nan 8.280 nan 0.000 0.578 615 P HA -0.172 nan 4.420 nan 0.000 0.218 615 P C 1.050 178.354 177.300 0.007 0.000 1.148 615 P CA 1.542 64.638 63.100 -0.006 0.000 0.822 615 P CB 0.086 31.783 31.700 -0.005 0.000 0.784 616 A N -0.810 122.016 122.820 0.010 0.000 2.070 616 A HA -0.171 4.157 4.320 0.013 0.000 0.220 616 A C 2.042 179.584 177.584 -0.070 0.000 1.159 616 A CA 1.072 53.082 52.037 -0.046 0.000 0.656 616 A CB -1.545 17.407 19.000 -0.081 0.000 0.800 616 A HN 0.143 nan 8.150 nan 0.000 0.453 617 L N -0.517 120.684 121.223 -0.037 0.000 2.042 617 L HA -0.141 4.207 4.340 0.013 0.000 0.210 617 L C 2.553 179.471 176.870 0.079 0.000 1.076 617 L CA 2.711 57.562 54.840 0.017 0.000 0.749 617 L CB -0.997 41.067 42.059 0.009 0.000 0.893 617 L HN 0.384 nan 8.230 nan 0.000 0.432 618 T N -1.756 112.850 114.554 0.087 0.000 2.867 618 T HA -0.199 4.159 4.350 0.013 0.000 0.268 618 T C 1.802 176.617 174.700 0.192 0.000 1.057 618 T CA 1.443 63.651 62.100 0.180 0.000 1.136 618 T CB -0.113 68.839 68.868 0.139 0.000 0.874 618 T HN 0.476 nan 8.240 nan 0.000 0.466 619 E N 0.643 120.892 120.200 0.082 0.000 2.106 619 E HA 0.106 4.464 4.350 0.013 0.000 0.192 619 E C 2.164 178.768 176.600 0.007 0.000 0.984 619 E CA 1.273 57.720 56.400 0.079 0.000 0.806 619 E CB -0.574 29.136 29.700 0.018 0.000 0.750 619 E HN 0.525 nan 8.360 nan 0.000 0.458 620 A N 1.034 123.749 122.820 -0.175 0.000 1.873 620 A HA -0.199 4.129 4.320 0.013 0.000 0.215 620 A C 2.165 179.631 177.584 -0.196 0.000 1.186 620 A CA 1.848 53.714 52.037 -0.285 0.000 0.616 620 A CB -0.614 18.222 19.000 -0.273 0.000 0.823 620 A HN 0.260 nan 8.150 nan 0.000 0.442 621 K N -1.169 119.195 120.400 -0.059 0.000 2.032 621 K HA -0.292 4.036 4.320 0.013 0.000 0.209 621 K C 2.066 178.564 176.600 -0.170 0.000 1.048 621 K CA 2.053 58.318 56.287 -0.036 0.000 0.927 621 K CB -0.364 32.264 32.500 0.213 0.000 0.712 621 K HN 0.635 nan 8.250 nan 0.000 0.441 622 H N 0.290 119.186 119.070 -0.290 0.000 2.357 622 H HA -0.028 4.536 4.556 0.014 0.000 0.301 622 H C 1.932 177.000 175.328 -0.432 0.000 1.082 622 H CA 1.795 57.490 56.048 -0.589 0.000 1.342 622 H CB 0.103 29.562 29.762 -0.505 0.000 1.389 622 H HN 0.243 nan 8.280 nan 0.000 0.511 623 Q N 0.193 119.758 119.800 -0.391 0.000 2.230 623 Q HA -0.067 4.281 4.340 0.013 0.000 0.202 623 Q C 1.567 177.038 176.000 -0.881 0.000 0.963 623 Q CA 1.073 56.574 55.803 -0.505 0.000 0.866 623 Q CB 0.089 28.705 28.738 -0.204 0.000 0.931 623 Q HN 0.699 nan 8.270 nan 0.000 0.452 624 Q N 0.153 119.402 119.800 -0.918 0.000 2.320 624 Q HA 0.070 4.418 4.340 0.013 0.000 0.201 624 Q C -0.174 175.285 176.000 -0.901 0.000 0.910 624 Q CA -0.204 54.903 55.803 -1.159 0.000 0.946 624 Q CB 0.350 28.453 28.738 -1.058 0.000 1.062 624 Q HN 0.381 nan 8.270 nan 0.000 0.503 625 Q N -0.306 119.109 119.800 -0.642 0.000 2.333 625 Q HA -0.070 4.278 4.340 0.013 0.000 0.299 625 Q C -0.120 175.541 176.000 -0.564 0.000 1.067 625 Q CA 0.371 55.923 55.803 -0.419 0.000 0.943 625 Q CB 0.421 28.983 28.738 -0.293 0.000 1.233 625 Q HN 0.307 nan 8.270 nan 0.000 0.401 626 F N 0.687 120.398 119.950 -0.398 0.000 2.765 626 F HA 0.172 4.706 4.527 0.013 0.000 0.302 626 F C -0.067 175.186 175.800 -0.912 0.000 1.111 626 F CA 0.072 57.604 58.000 -0.780 0.000 1.359 626 F CB 0.485 38.678 39.000 -1.345 0.000 1.097 626 F HN 0.330 nan 8.300 nan 0.000 0.577 627 F N 0.519 120.365 119.950 -0.174 0.000 2.493 627 F HA 0.463 4.998 4.527 0.014 0.000 0.329 627 F C -0.096 175.318 175.800 -0.644 0.000 1.126 627 F CA -1.136 56.664 58.000 -0.333 0.000 0.937 627 F CB 1.205 40.072 39.000 -0.222 0.000 1.146 627 F HN -0.305 nan 8.300 nan 0.000 0.442 628 Q N 3.293 122.795 119.800 -0.496 0.000 2.266 628 Q HA 0.589 4.937 4.340 0.013 0.000 0.261 628 Q C -1.264 174.393 176.000 -0.572 0.000 0.985 628 Q CA -0.612 54.923 55.803 -0.447 0.000 0.873 628 Q CB 2.743 31.372 28.738 -0.181 0.000 1.306 628 Q HN 0.524 nan 8.270 nan 0.000 0.447 629 F N 0.139 120.218 119.950 0.215 0.000 2.577 629 F HA 0.623 5.158 4.527 0.014 0.000 0.318 629 F C 0.215 176.254 175.800 0.399 0.000 1.065 629 F CA -0.896 57.313 58.000 0.348 0.000 0.929 629 F CB 1.990 41.341 39.000 0.585 0.000 1.237 629 F HN 0.160 nan 8.300 nan 0.000 0.468 630 R N 1.613 122.404 120.500 0.486 0.000 2.604 630 R HA 0.642 4.990 4.340 0.013 0.000 0.281 630 R C -2.028 174.290 176.300 0.030 0.000 1.020 630 R CA -1.041 55.239 56.100 0.301 0.000 0.899 630 R CB 2.742 33.139 30.300 0.161 0.000 1.205 630 R HN 0.556 nan 8.270 nan 0.000 0.450 631 L N 1.293 122.398 121.223 -0.196 0.000 2.322 631 L HA 0.603 4.951 4.340 0.013 0.000 0.281 631 L C -0.943 175.761 176.870 -0.277 0.000 1.014 631 L CA 0.085 54.612 54.840 -0.522 0.000 0.815 631 L CB 2.065 43.363 42.059 -1.269 0.000 1.247 631 L HN 0.554 nan 8.230 nan 0.000 0.421 632 S N 3.815 119.378 115.700 -0.228 0.000 2.775 632 S HA 0.670 5.148 4.470 0.013 0.000 0.277 632 S C 0.316 174.827 174.600 -0.149 0.000 1.156 632 S CA 0.225 58.339 58.200 -0.144 0.000 1.081 632 S CB 0.258 63.405 63.200 -0.088 0.000 1.054 632 S HN 1.583 nan 8.310 nan 0.000 0.482 633 G N 4.835 113.550 108.800 -0.141 0.000 2.675 633 G HA2 -0.328 3.639 3.960 0.013 0.000 0.312 633 G HA3 -0.328 3.639 3.960 0.013 0.000 0.312 633 G C 0.436 175.236 174.900 -0.166 0.000 1.186 633 G CA 0.904 45.927 45.100 -0.129 0.000 0.965 633 G HN 0.715 nan 8.290 nan 0.000 0.548 634 Q N 0.474 120.177 119.800 -0.161 0.000 2.217 634 Q HA 0.266 4.614 4.340 0.013 0.000 0.217 634 Q C 0.023 175.897 176.000 -0.211 0.000 0.844 634 Q CA 0.512 56.197 55.803 -0.197 0.000 0.957 634 Q CB 1.058 29.695 28.738 -0.169 0.000 1.127 634 Q HN 0.466 nan 8.270 nan 0.000 0.503 635 T N 1.579 116.026 114.554 -0.179 0.000 2.743 635 T HA 0.429 4.787 4.350 0.013 0.000 0.293 635 T C -0.020 174.572 174.700 -0.181 0.000 0.945 635 T CA -0.149 61.860 62.100 -0.152 0.000 1.030 635 T CB 0.939 69.746 68.868 -0.101 0.000 0.912 635 T HN 0.071 nan 8.240 nan 0.000 0.483 636 I N 2.914 123.392 120.570 -0.152 0.000 2.339 636 I HA 0.296 4.474 4.170 0.013 0.000 0.290 636 I C 0.519 176.644 176.117 0.013 0.000 0.994 636 I CA -0.614 60.614 61.300 -0.121 0.000 1.191 636 I CB 1.389 39.337 38.000 -0.087 0.000 1.343 636 I HN 0.597 nan 8.210 nan 0.000 0.458 637 E N 6.707 126.944 120.200 0.062 0.000 2.109 637 E HA 0.402 4.760 4.350 0.013 0.000 0.278 637 E C -1.489 175.213 176.600 0.170 0.000 0.954 637 E CA -0.578 55.878 56.400 0.093 0.000 0.779 637 E CB 1.544 31.281 29.700 0.061 0.000 1.093 637 E HN 0.350 nan 8.360 nan 0.000 0.401 638 V N 4.525 124.530 119.914 0.151 0.000 2.370 638 V HA 0.280 4.407 4.120 0.013 0.000 0.283 638 V C -0.041 176.093 176.094 0.066 0.000 1.023 638 V CA -0.537 61.838 62.300 0.124 0.000 0.857 638 V CB 1.602 33.538 31.823 0.189 0.000 0.985 638 V HN 0.696 nan 8.190 nan 0.000 0.443 639 T N 3.459 118.006 114.554 -0.012 0.000 2.797 639 T HA 0.343 4.701 4.350 0.013 0.000 0.279 639 T C 0.031 174.717 174.700 -0.024 0.000 0.991 639 T CA -0.249 61.847 62.100 -0.007 0.000 0.979 639 T CB 1.542 70.386 68.868 -0.040 0.000 0.943 639 T HN 0.664 nan 8.240 nan 0.000 0.444 640 S N 1.840 117.533 115.700 -0.012 0.000 2.525 640 S HA 0.227 4.705 4.470 0.013 0.000 0.278 640 S C 0.664 175.132 174.600 -0.221 0.000 1.234 640 S CA -0.564 57.544 58.200 -0.155 0.000 1.058 640 S CB 0.582 63.775 63.200 -0.011 0.000 0.983 640 S HN 0.725 nan 8.310 nan 0.000 0.495 641 E N 2.906 122.876 120.200 -0.384 0.000 2.501 641 E HA 0.113 4.471 4.350 0.013 0.000 0.200 641 E C -0.921 175.518 176.600 -0.268 0.000 1.016 641 E CA -0.123 56.097 56.400 -0.300 0.000 0.921 641 E CB 0.325 29.823 29.700 -0.337 0.000 1.034 641 E HN 0.647 nan 8.360 nan 0.000 0.468 642 Y N 0.385 120.569 120.300 -0.193 0.000 2.346 642 Y HA 0.061 4.619 4.550 0.013 0.000 0.330 642 Y C 1.321 177.060 175.900 -0.269 0.000 1.178 642 Y CA 0.161 58.147 58.100 -0.189 0.000 1.331 642 Y CB 0.719 39.044 38.460 -0.224 0.000 1.253 642 Y HN -0.026 nan 8.280 nan 0.000 0.529 643 L N 1.374 122.426 121.223 -0.285 0.000 2.463 643 L HA 0.053 4.401 4.340 0.013 0.000 0.219 643 L C 0.476 176.841 176.870 -0.843 0.000 1.088 643 L CA 0.611 55.016 54.840 -0.724 0.000 0.849 643 L CB 0.005 41.321 42.059 -1.239 0.000 1.012 643 L HN 0.570 nan 8.230 nan 0.000 0.468 644 F N -0.791 119.171 119.950 0.021 0.000 2.658 644 F HA 0.208 4.742 4.527 0.012 0.000 0.293 644 F C 1.255 177.035 175.800 -0.033 0.000 0.986 644 F CA -0.845 57.139 58.000 -0.027 0.000 1.182 644 F CB -0.008 38.951 39.000 -0.068 0.000 0.965 644 F HN -0.156 nan 8.300 nan 0.000 0.659 645 R N 0.469 121.009 120.500 0.068 0.000 2.500 645 R HA 0.419 4.767 4.340 0.013 0.000 0.275 645 R C -0.878 175.416 176.300 -0.010 0.000 1.051 645 R CA -0.533 55.543 56.100 -0.041 0.000 1.088 645 R CB 0.711 30.857 30.300 -0.257 0.000 1.063 645 R HN 0.102 nan 8.270 nan 0.000 0.511 646 H N 0.507 119.553 119.070 -0.041 0.000 2.488 646 H HA 0.131 4.695 4.556 0.013 0.000 0.347 646 H C -0.109 175.236 175.328 0.029 0.000 1.174 646 H CA -0.044 56.017 56.048 0.022 0.000 1.307 646 H CB 1.366 31.146 29.762 0.030 0.000 1.517 646 H HN 0.756 nan 8.280 nan 0.000 0.554 647 S N 1.896 117.459 115.700 -0.228 0.000 4.085 647 S HA -0.030 4.448 4.470 0.013 0.000 0.189 647 S C 0.078 174.721 174.600 0.073 0.000 1.392 647 S CA -0.274 57.947 58.200 0.035 0.000 0.972 647 S CB -0.771 62.495 63.200 0.110 0.000 1.482 647 S HN 0.699 nan 8.310 nan 0.000 0.446 648 D N 0.754 121.227 120.400 0.122 0.000 2.325 648 D HA 0.023 4.671 4.640 0.013 0.000 0.234 648 D C 0.295 176.648 176.300 0.088 0.000 1.122 648 D CA -0.189 53.894 54.000 0.138 0.000 0.850 648 D CB -0.420 40.461 40.800 0.135 0.000 0.921 648 D HN 0.515 nan 8.370 nan 0.000 0.513 649 N N 0.047 118.798 118.700 0.086 0.000 2.605 649 N HA 0.105 4.853 4.740 0.013 0.000 0.265 649 N C -1.658 173.911 175.510 0.098 0.000 1.625 649 N CA -0.176 52.921 53.050 0.077 0.000 0.862 649 N CB 0.309 38.834 38.487 0.065 0.000 1.415 649 N HN -0.075 nan 8.380 nan 0.000 0.513 650 E N 0.039 120.286 120.200 0.078 0.000 2.290 650 E HA 0.523 4.881 4.350 0.013 0.000 0.274 650 E C -1.753 174.865 176.600 0.030 0.000 0.889 650 E CA -0.650 55.779 56.400 0.049 0.000 0.760 650 E CB 2.395 32.076 29.700 -0.031 0.000 1.206 650 E HN 0.183 nan 8.360 nan 0.000 0.419 651 L N 3.095 124.351 121.223 0.056 0.000 2.408 651 L HA 0.585 4.933 4.340 0.013 0.000 0.268 651 L C -1.907 175.022 176.870 0.097 0.000 0.986 651 L CA -0.898 53.978 54.840 0.061 0.000 0.820 651 L CB 1.684 43.794 42.059 0.086 0.000 1.303 651 L HN 0.591 nan 8.230 nan 0.000 0.411 652 L N 4.564 125.826 121.223 0.065 0.000 2.257 652 L HA 0.496 4.844 4.340 0.013 0.000 0.290 652 L C -0.999 175.932 176.870 0.101 0.000 1.044 652 L CA 0.140 55.058 54.840 0.130 0.000 0.810 652 L CB 0.617 42.765 42.059 0.149 0.000 1.193 652 L HN 0.649 nan 8.230 nan 0.000 0.425 653 H N 5.072 124.205 119.070 0.105 0.000 2.467 653 H HA 0.508 5.072 4.556 0.013 0.000 0.326 653 H C -1.045 174.366 175.328 0.138 0.000 1.094 653 H CA -0.033 56.044 56.048 0.048 0.000 1.253 653 H CB 0.859 30.613 29.762 -0.013 0.000 1.439 653 H HN 0.627 nan 8.280 nan 0.000 0.479 654 W N 4.256 125.627 121.300 0.118 0.000 2.761 654 W HA 0.652 5.320 4.660 0.013 0.000 0.340 654 W C -1.833 174.746 176.519 0.099 0.000 1.072 654 W CA -1.120 56.287 57.345 0.104 0.000 1.215 654 W CB 1.471 30.972 29.460 0.069 0.000 1.420 654 W HN 0.327 nan 8.180 nan 0.000 0.519 655 M N 3.481 123.283 119.600 0.337 0.000 2.324 655 M HA 0.439 4.927 4.480 0.013 0.000 0.288 655 M C -2.022 174.471 176.300 0.322 0.000 1.097 655 M CA -0.662 54.730 55.300 0.153 0.000 0.928 655 M CB 2.408 35.028 32.600 0.033 0.000 1.648 655 M HN 0.369 nan 8.290 nan 0.000 0.460 656 V N 3.172 123.271 119.914 0.308 0.000 2.555 656 V HA 0.967 5.095 4.120 0.013 0.000 0.302 656 V C -0.352 175.856 176.094 0.190 0.000 1.038 656 V CA -0.627 61.851 62.300 0.295 0.000 0.887 656 V CB 1.650 33.670 31.823 0.329 0.000 0.991 656 V HN 0.959 nan 8.190 nan 0.000 0.434 657 A N 3.990 126.932 122.820 0.203 0.000 2.549 657 A HA 0.838 5.166 4.320 0.013 0.000 0.297 657 A C -1.581 176.128 177.584 0.208 0.000 1.061 657 A CA -0.587 51.539 52.037 0.148 0.000 0.690 657 A CB 1.715 20.760 19.000 0.075 0.000 1.287 657 A HN 0.875 nan 8.150 nan 0.000 0.402 658 L N 1.644 122.957 121.223 0.150 0.000 2.264 658 L HA 0.522 4.870 4.340 0.013 0.000 0.287 658 L C -0.440 176.535 176.870 0.175 0.000 1.039 658 L CA 0.337 55.279 54.840 0.170 0.000 0.829 658 L CB 0.061 42.183 42.059 0.105 0.000 1.211 658 L HN 0.738 nan 8.230 nan 0.000 0.427 659 D N 4.838 125.418 120.400 0.301 0.000 2.686 659 D HA -0.211 4.437 4.640 0.013 0.000 0.235 659 D C 1.159 177.488 176.300 0.049 0.000 1.160 659 D CA 1.483 55.648 54.000 0.276 0.000 0.645 659 D CB -1.012 39.914 40.800 0.210 0.000 1.039 659 D HN 1.187 nan 8.370 nan 0.000 0.423 660 G N -0.609 108.171 108.800 -0.032 0.000 2.179 660 G HA2 -0.369 3.599 3.960 0.013 0.000 0.260 660 G HA3 -0.369 3.599 3.960 0.013 0.000 0.260 660 G C 0.258 175.067 174.900 -0.151 0.000 0.977 660 G CA 0.564 45.532 45.100 -0.219 0.000 0.641 660 G HN 0.480 nan 8.290 nan 0.000 0.533 661 K N 1.486 121.855 120.400 -0.053 0.000 2.281 661 K HA 0.455 4.783 4.320 0.013 0.000 0.272 661 K C -2.594 173.995 176.600 -0.018 0.000 1.048 661 K CA -2.018 54.244 56.287 -0.042 0.000 0.898 661 K CB 1.625 34.118 32.500 -0.011 0.000 1.128 661 K HN 0.009 nan 8.250 nan 0.000 0.460 662 P HA -0.125 nan 4.420 nan 0.000 0.261 662 P C -0.127 177.176 177.300 0.004 0.000 1.173 662 P CA 0.159 63.243 63.100 -0.027 0.000 0.760 662 P CB 0.519 32.185 31.700 -0.056 0.000 0.783 663 L N 2.074 123.318 121.223 0.035 0.000 2.902 663 L HA 0.547 4.895 4.340 0.013 0.000 0.254 663 L C 0.363 177.275 176.870 0.071 0.000 1.115 663 L CA 0.576 55.450 54.840 0.056 0.000 0.947 663 L CB 0.077 42.186 42.059 0.083 0.000 1.369 663 L HN 0.446 nan 8.230 nan 0.000 0.538 664 A N -0.788 122.075 122.820 0.072 0.000 2.569 664 A HA 0.594 4.922 4.320 0.013 0.000 0.292 664 A C -0.889 176.617 177.584 -0.131 0.000 1.032 664 A CA 0.310 52.388 52.037 0.069 0.000 0.669 664 A CB 0.927 20.092 19.000 0.275 0.000 1.290 664 A HN 0.186 nan 8.150 nan 0.000 0.422 665 S N -0.636 114.734 115.700 -0.550 0.000 2.615 665 S HA 0.968 5.446 4.470 0.013 0.000 0.268 665 S C -0.243 173.442 174.600 -1.526 0.000 1.146 665 S CA 0.178 57.647 58.200 -1.220 0.000 0.818 665 S CB 0.926 63.797 63.200 -0.548 0.000 1.111 665 S HN 2.751 nan 8.310 nan 0.000 0.465 666 G N -0.062 107.648 108.800 -1.817 0.000 2.488 666 G HA2 0.642 4.609 3.960 0.013 0.000 0.301 666 G HA3 0.642 4.609 3.960 0.013 0.000 0.301 666 G C -2.328 172.163 174.900 -0.681 0.000 1.339 666 G CA -0.485 44.034 45.100 -0.968 0.000 0.803 666 G HN 1.189 nan 8.290 nan 0.000 0.482 667 E N -1.122 118.915 120.200 -0.271 0.000 2.291 667 E HA 0.607 4.965 4.350 0.013 0.000 0.276 667 E C -1.594 174.980 176.600 -0.044 0.000 0.896 667 E CA -0.929 55.292 56.400 -0.298 0.000 0.774 667 E CB 2.578 31.898 29.700 -0.633 0.000 1.227 667 E HN 0.380 nan 8.360 nan 0.000 0.413 668 V N 3.153 123.088 119.914 0.035 0.000 2.555 668 V HA 0.446 4.574 4.120 0.013 0.000 0.302 668 V C -2.326 173.787 176.094 0.032 0.000 1.038 668 V CA -2.209 60.131 62.300 0.066 0.000 0.887 668 V CB 1.825 33.717 31.823 0.116 0.000 0.991 668 V HN 0.682 nan 8.190 nan 0.000 0.434 669 P HA 0.316 nan 4.420 nan 0.000 0.275 669 P C -0.854 176.469 177.300 0.038 0.000 1.227 669 P CA -0.204 62.914 63.100 0.030 0.000 0.781 669 P CB 0.593 32.314 31.700 0.036 0.000 0.906 670 L N 2.994 124.232 121.223 0.024 0.000 2.272 670 L HA 0.352 4.700 4.340 0.013 0.000 0.289 670 L C 0.218 177.102 176.870 0.024 0.000 1.032 670 L CA 0.055 54.900 54.840 0.008 0.000 0.810 670 L CB 0.904 42.918 42.059 -0.075 0.000 1.205 670 L HN 0.337 nan 8.230 nan 0.000 0.422 671 D N 3.370 123.794 120.400 0.040 0.000 2.513 671 D HA 0.276 4.924 4.640 0.013 0.000 0.295 671 D C -1.343 174.959 176.300 0.004 0.000 1.202 671 D CA -0.094 53.951 54.000 0.076 0.000 0.849 671 D CB 1.237 42.138 40.800 0.168 0.000 1.116 671 D HN 0.099 nan 8.370 nan 0.000 0.502 672 V N 1.904 121.714 119.914 -0.174 0.000 2.540 672 V HA 0.858 4.986 4.120 0.013 0.000 0.302 672 V C -0.099 175.828 176.094 -0.278 0.000 1.035 672 V CA -0.513 61.736 62.300 -0.086 0.000 0.873 672 V CB 1.300 33.176 31.823 0.088 0.000 0.992 672 V HN 0.507 nan 8.190 nan 0.000 0.428 673 A N 8.868 131.678 122.820 -0.018 0.000 2.313 673 A HA 0.736 5.063 4.320 0.013 0.000 0.261 673 A C -2.426 175.201 177.584 0.072 0.000 1.090 673 A CA -1.478 50.643 52.037 0.141 0.000 0.807 673 A CB 0.089 19.237 19.000 0.246 0.000 1.055 673 A HN 0.760 nan 8.150 nan 0.000 0.492 674 P HA 0.006 nan 4.420 nan 0.000 0.264 674 P C -0.579 176.721 177.300 -0.001 0.000 1.193 674 P CA 0.648 63.767 63.100 0.032 0.000 0.763 674 P CB 0.798 32.502 31.700 0.007 0.000 0.810 675 Q N -0.928 118.853 119.800 -0.032 0.000 2.324 675 Q HA -0.152 4.196 4.340 0.013 0.000 0.200 675 Q C 0.785 176.779 176.000 -0.010 0.000 0.645 675 Q CA 1.817 57.595 55.803 -0.041 0.000 1.377 675 Q CB -2.523 26.185 28.738 -0.049 0.000 1.486 675 Q HN 0.780 nan 8.270 nan 0.000 0.796 676 G N 0.218 109.027 108.800 0.016 0.000 2.543 676 G HA2 0.566 4.534 3.960 0.013 0.000 0.290 676 G HA3 0.566 4.534 3.960 0.013 0.000 0.290 676 G C -0.230 174.693 174.900 0.038 0.000 1.310 676 G CA -0.488 44.633 45.100 0.035 0.000 1.025 676 G HN -0.001 nan 8.290 nan 0.000 0.502 677 K N -0.764 119.664 120.400 0.046 0.000 2.435 677 K HA 0.474 4.802 4.320 0.013 0.000 0.251 677 K C -1.071 175.565 176.600 0.060 0.000 0.954 677 K CA -0.662 55.655 56.287 0.051 0.000 0.820 677 K CB 2.676 35.198 32.500 0.037 0.000 1.292 677 K HN 0.507 nan 8.250 nan 0.000 0.436 678 Q N 2.520 122.360 119.800 0.067 0.000 2.305 678 Q HA 0.381 4.729 4.340 0.013 0.000 0.271 678 Q C -1.628 174.406 176.000 0.058 0.000 1.046 678 Q CA -0.636 55.206 55.803 0.065 0.000 0.798 678 Q CB 1.467 30.249 28.738 0.074 0.000 1.286 678 Q HN 0.539 nan 8.270 nan 0.000 0.435 679 L N 5.181 126.427 121.223 0.039 0.000 2.275 679 L HA 0.538 4.886 4.340 0.013 0.000 0.288 679 L C -0.442 176.435 176.870 0.011 0.000 1.046 679 L CA -0.541 54.311 54.840 0.021 0.000 0.805 679 L CB 1.105 43.168 42.059 0.006 0.000 1.193 679 L HN 0.578 nan 8.230 nan 0.000 0.426 680 I N 3.200 123.767 120.570 -0.004 0.000 2.418 680 I HA 0.235 4.413 4.170 0.013 0.000 0.287 680 I C -0.239 175.826 176.117 -0.088 0.000 1.008 680 I CA -0.626 60.658 61.300 -0.027 0.000 1.104 680 I CB 1.992 39.990 38.000 -0.004 0.000 1.264 680 I HN 0.494 nan 8.210 nan 0.000 0.438 681 E N 7.135 127.280 120.200 -0.092 0.000 2.044 681 E HA 0.345 4.703 4.350 0.013 0.000 0.282 681 E C -0.465 176.018 176.600 -0.196 0.000 1.031 681 E CA -0.473 55.850 56.400 -0.128 0.000 0.824 681 E CB 1.374 31.022 29.700 -0.086 0.000 1.076 681 E HN 0.491 nan 8.360 nan 0.000 0.395 682 L N 5.274 126.313 121.223 -0.305 0.000 2.416 682 L HA 0.153 4.501 4.340 0.013 0.000 0.272 682 L C -1.799 174.865 176.870 -0.343 0.000 1.161 682 L CA -1.524 53.013 54.840 -0.505 0.000 0.845 682 L CB 0.053 41.700 42.059 -0.687 0.000 1.119 682 L HN 0.163 nan 8.230 nan 0.000 0.464 683 P HA -0.037 nan 4.420 nan 0.000 0.272 683 P C -0.580 176.647 177.300 -0.122 0.000 1.248 683 P CA -0.387 62.641 63.100 -0.121 0.000 0.799 683 P CB 0.402 32.105 31.700 0.006 0.000 0.997 684 E N 0.709 120.876 120.200 -0.055 0.000 2.366 684 E HA 0.095 4.453 4.350 0.013 0.000 0.266 684 E C -0.829 175.764 176.600 -0.012 0.000 1.015 684 E CA -0.153 56.221 56.400 -0.043 0.000 0.906 684 E CB -0.017 29.669 29.700 -0.022 0.000 0.979 684 E HN 0.282 nan 8.360 nan 0.000 0.443 685 L N 7.851 129.063 121.223 -0.018 0.000 2.265 685 L HA 0.356 4.703 4.340 0.013 0.000 0.289 685 L C -1.851 175.036 176.870 0.028 0.000 1.033 685 L CA -2.209 52.649 54.840 0.030 0.000 0.814 685 L CB 1.084 43.159 42.059 0.027 0.000 1.203 685 L HN 0.484 nan 8.230 nan 0.000 0.423 686 P HA -0.017 nan 4.420 nan 0.000 0.263 686 P C -1.056 176.262 177.300 0.029 0.000 1.195 686 P CA -0.310 62.809 63.100 0.031 0.000 0.762 686 P CB 0.598 32.319 31.700 0.036 0.000 0.799 687 Q N 5.095 124.906 119.800 0.018 0.000 2.263 687 Q HA 0.184 4.532 4.340 0.013 0.000 0.270 687 Q C -1.589 174.423 176.000 0.021 0.000 1.104 687 Q CA -1.065 54.748 55.803 0.016 0.000 0.909 687 Q CB -0.686 28.056 28.738 0.006 0.000 1.214 687 Q HN 0.441 nan 8.270 nan 0.000 0.400 688 P HA -0.050 nan 4.420 nan 0.000 0.270 688 P C -0.242 177.073 177.300 0.024 0.000 1.227 688 P CA -0.115 63.002 63.100 0.029 0.000 0.788 688 P CB 1.096 32.819 31.700 0.039 0.000 0.926 689 E N -0.123 120.091 120.200 0.023 0.000 2.057 689 E HA -0.015 4.343 4.350 0.013 0.000 0.190 689 E C 1.065 177.679 176.600 0.023 0.000 0.969 689 E CA 0.491 56.903 56.400 0.020 0.000 0.812 689 E CB -0.966 28.745 29.700 0.018 0.000 0.777 689 E HN 0.468 nan 8.360 nan 0.000 0.455 690 S N 0.559 116.275 115.700 0.027 0.000 2.550 690 S HA 0.168 4.646 4.470 0.013 0.000 0.285 690 S C 0.257 174.877 174.600 0.035 0.000 1.326 690 S CA 0.099 58.317 58.200 0.031 0.000 1.037 690 S CB 0.382 63.603 63.200 0.035 0.000 0.838 690 S HN 0.249 nan 8.310 nan 0.000 0.519 691 A N 2.667 125.509 122.820 0.037 0.000 2.313 691 A HA 0.744 5.072 4.320 0.013 0.000 0.261 691 A C 0.888 178.503 177.584 0.052 0.000 1.090 691 A CA 0.264 52.324 52.037 0.039 0.000 0.807 691 A CB -0.341 18.682 19.000 0.039 0.000 1.055 691 A HN 2.010 nan 8.150 nan 0.000 0.492 692 G N -0.915 107.916 108.800 0.051 0.000 2.361 692 G HA2 0.440 4.408 3.960 0.013 0.000 0.331 692 G HA3 0.440 4.408 3.960 0.013 0.000 0.331 692 G C -1.173 173.759 174.900 0.052 0.000 1.324 692 G CA -0.187 44.957 45.100 0.073 0.000 0.984 692 G HN 1.126 nan 8.290 nan 0.000 0.586 693 Q N -0.365 119.483 119.800 0.081 0.000 2.271 693 Q HA 0.744 5.092 4.340 0.013 0.000 0.258 693 Q C -0.350 175.669 176.000 0.031 0.000 0.936 693 Q CA -0.571 55.222 55.803 -0.017 0.000 0.909 693 Q CB 1.327 30.015 28.738 -0.084 0.000 1.253 693 Q HN 0.582 nan 8.270 nan 0.000 0.440 694 L N 4.092 125.267 121.223 -0.080 0.000 2.312 694 L HA 0.485 4.833 4.340 0.013 0.000 0.281 694 L C -0.862 175.951 176.870 -0.094 0.000 1.070 694 L CA -0.458 54.392 54.840 0.017 0.000 0.805 694 L CB 0.792 42.857 42.059 0.010 0.000 1.174 694 L HN 0.692 nan 8.230 nan 0.000 0.434 695 W N 4.393 125.761 121.300 0.114 0.000 2.656 695 W HA 0.477 5.145 4.660 0.013 0.000 0.327 695 W C -0.807 175.820 176.519 0.181 0.000 1.041 695 W CA -0.522 56.913 57.345 0.150 0.000 1.229 695 W CB 1.685 31.255 29.460 0.183 0.000 1.397 695 W HN 0.123 nan 8.180 nan 0.000 0.479 696 L N 3.971 125.462 121.223 0.445 0.000 2.272 696 L HA 0.711 5.059 4.340 0.013 0.000 0.289 696 L C -0.332 176.833 176.870 0.492 0.000 1.032 696 L CA 0.212 55.307 54.840 0.425 0.000 0.810 696 L CB 0.988 43.260 42.059 0.355 0.000 1.205 696 L HN 0.295 nan 8.230 nan 0.000 0.422 697 T N 5.195 119.985 114.554 0.394 0.000 2.807 697 T HA 0.681 5.039 4.350 0.013 0.000 0.279 697 T C -0.732 174.147 174.700 0.299 0.000 0.993 697 T CA -0.427 61.858 62.100 0.308 0.000 0.970 697 T CB 1.551 70.539 68.868 0.200 0.000 0.950 697 T HN 0.590 nan 8.240 nan 0.000 0.441 698 V N 1.768 121.824 119.914 0.236 0.000 2.735 698 V HA 0.936 5.064 4.120 0.013 0.000 0.310 698 V C -0.836 175.327 176.094 0.115 0.000 1.061 698 V CA -1.346 61.063 62.300 0.182 0.000 0.913 698 V CB 1.861 33.748 31.823 0.106 0.000 1.005 698 V HN 1.011 nan 8.190 nan 0.000 0.428 699 R N 2.301 122.905 120.500 0.173 0.000 2.651 699 R HA 0.838 5.185 4.340 0.013 0.000 0.278 699 R C -1.951 174.489 176.300 0.233 0.000 1.010 699 R CA -0.849 55.388 56.100 0.227 0.000 0.896 699 R CB 2.127 32.535 30.300 0.179 0.000 1.211 699 R HN 0.511 nan 8.270 nan 0.000 0.456 700 V N 3.001 123.073 119.914 0.264 0.000 2.383 700 V HA 0.337 4.465 4.120 0.013 0.000 0.275 700 V C -0.155 176.049 176.094 0.184 0.000 1.036 700 V CA -0.577 61.841 62.300 0.196 0.000 0.889 700 V CB 1.424 33.330 31.823 0.139 0.000 0.985 700 V HN 0.545 nan 8.190 nan 0.000 0.459 701 V N 5.168 125.184 119.914 0.169 0.000 2.555 701 V HA 0.397 4.525 4.120 0.013 0.000 0.302 701 V C -0.201 175.976 176.094 0.138 0.000 1.038 701 V CA -0.754 61.627 62.300 0.135 0.000 0.887 701 V CB 1.967 33.860 31.823 0.116 0.000 0.991 701 V HN 0.895 nan 8.190 nan 0.000 0.434 702 Q N 5.040 124.924 119.800 0.140 0.000 2.421 702 Q HA 0.255 4.603 4.340 0.013 0.000 0.242 702 Q C -1.860 174.183 176.000 0.072 0.000 1.024 702 Q CA -1.727 54.148 55.803 0.120 0.000 0.891 702 Q CB 1.669 30.489 28.738 0.138 0.000 1.222 702 Q HN 0.477 nan 8.270 nan 0.000 0.483 703 P HA -0.193 nan 4.420 nan 0.000 0.216 703 P C -0.279 177.032 177.300 0.018 0.000 1.153 703 P CA 1.296 64.425 63.100 0.047 0.000 0.858 703 P CB 0.349 32.080 31.700 0.051 0.000 0.789 704 N N -0.478 118.225 118.700 0.004 0.000 2.473 704 N HA 0.373 5.121 4.740 0.013 0.000 0.291 704 N C -0.100 175.368 175.510 -0.071 0.000 1.083 704 N CA -0.447 52.589 53.050 -0.023 0.000 0.951 704 N CB 1.119 39.596 38.487 -0.016 0.000 1.164 704 N HN -0.061 nan 8.380 nan 0.000 0.480 705 A N 0.853 123.623 122.820 -0.084 0.000 2.406 705 A HA 0.486 4.814 4.320 0.013 0.000 0.243 705 A C 0.765 178.236 177.584 -0.188 0.000 1.082 705 A CA 0.017 51.968 52.037 -0.144 0.000 0.786 705 A CB 0.041 18.981 19.000 -0.100 0.000 1.029 705 A HN 0.765 nan 8.150 nan 0.000 0.495 706 T N -3.296 111.069 114.554 -0.316 0.000 2.742 706 T HA 0.632 4.990 4.350 0.013 0.000 0.282 706 T C 0.890 175.452 174.700 -0.231 0.000 1.025 706 T CA 0.042 61.949 62.100 -0.323 0.000 1.020 706 T CB 1.096 69.576 68.868 -0.648 0.000 1.317 706 T HN 1.350 nan 8.240 nan 0.000 0.538 707 A N -0.123 122.659 122.820 -0.064 0.000 2.066 707 A HA 0.123 4.451 4.320 0.013 0.000 0.218 707 A C 1.677 179.413 177.584 0.254 0.000 1.157 707 A CA 0.986 53.093 52.037 0.118 0.000 0.670 707 A CB -0.864 18.240 19.000 0.174 0.000 0.804 707 A HN 0.907 nan 8.150 nan 0.000 0.453 708 W N -0.588 120.770 121.300 0.096 0.000 3.008 708 W HA 0.389 5.058 4.660 0.014 0.000 0.355 708 W C -0.091 176.390 176.519 -0.064 0.000 1.095 708 W CA 0.564 57.923 57.345 0.023 0.000 1.738 708 W CB -1.007 28.453 29.460 -0.000 0.000 1.091 708 W HN 0.402 nan 8.180 nan 0.000 0.574 709 S N 0.058 115.368 115.700 -0.650 0.000 2.638 709 S HA 0.476 4.954 4.470 0.013 0.000 0.274 709 S C -0.917 173.461 174.600 -0.371 0.000 1.157 709 S CA -0.824 57.015 58.200 -0.602 0.000 0.826 709 S CB 2.671 65.155 63.200 -1.193 0.000 1.139 709 S HN 0.105 nan 8.310 nan 0.000 0.474 710 E N 0.296 120.373 120.200 -0.204 0.000 2.280 710 E HA 0.620 4.978 4.350 0.013 0.000 0.264 710 E C -0.001 176.557 176.600 -0.070 0.000 1.064 710 E CA -1.023 55.318 56.400 -0.098 0.000 0.900 710 E CB 1.170 30.855 29.700 -0.025 0.000 1.123 710 E HN 0.852 nan 8.360 nan 0.000 0.418 711 A N 0.439 123.233 122.820 -0.044 0.000 2.462 711 A HA 0.429 4.757 4.320 0.013 0.000 0.243 711 A C 1.098 178.689 177.584 0.012 0.000 1.076 711 A CA 0.679 52.704 52.037 -0.020 0.000 0.773 711 A CB -0.416 18.575 19.000 -0.016 0.000 1.010 711 A HN 0.801 nan 8.150 nan 0.000 0.493 712 G N 0.529 109.346 108.800 0.029 0.000 2.195 712 G HA2 -0.248 3.720 3.960 0.013 0.000 0.246 712 G HA3 -0.248 3.720 3.960 0.013 0.000 0.246 712 G C 0.282 175.208 174.900 0.044 0.000 0.984 712 G CA 0.645 45.758 45.100 0.022 0.000 0.633 712 G HN 1.724 nan 8.290 nan 0.000 0.525 713 H N 0.889 119.954 119.070 -0.009 0.000 3.094 713 H HA 0.389 4.953 4.556 0.013 0.000 0.320 713 H C 0.760 176.147 175.328 0.099 0.000 1.000 713 H CA 0.505 56.571 56.048 0.031 0.000 1.413 713 H CB 0.135 29.890 29.762 -0.012 0.000 1.405 713 H HN 0.317 nan 8.280 nan 0.000 0.586 714 I N 4.894 125.181 120.570 -0.471 0.000 2.315 714 I HA 0.029 4.207 4.170 0.013 0.000 0.291 714 I C 0.989 176.964 176.117 -0.238 0.000 1.006 714 I CA 0.029 61.207 61.300 -0.204 0.000 1.265 714 I CB 1.445 39.397 38.000 -0.079 0.000 1.387 714 I HN 0.782 nan 8.210 nan 0.000 0.475 715 S N 4.437 120.219 115.700 0.136 0.000 2.503 715 S HA 0.506 4.984 4.470 0.013 0.000 0.215 715 S C 0.505 175.359 174.600 0.425 0.000 1.003 715 S CA 0.061 58.487 58.200 0.376 0.000 0.910 715 S CB 0.535 64.070 63.200 0.557 0.000 0.790 715 S HN 0.723 nan 8.310 nan 0.000 0.514 716 A N 0.265 123.360 122.820 0.460 0.000 2.597 716 A HA 0.656 4.984 4.320 0.013 0.000 0.292 716 A C -1.831 176.087 177.584 0.557 0.000 1.057 716 A CA -0.798 51.478 52.037 0.398 0.000 0.674 716 A CB 0.291 19.569 19.000 0.463 0.000 1.278 716 A HN 0.975 nan 8.150 nan 0.000 0.416 717 W N -0.493 120.989 121.300 0.303 0.000 3.005 717 W HA 0.801 5.470 4.660 0.014 0.000 0.343 717 W C -1.249 175.311 176.519 0.068 0.000 1.243 717 W CA -0.567 56.837 57.345 0.098 0.000 1.186 717 W CB 1.138 30.622 29.460 0.041 0.000 1.453 717 W HN 1.096 nan 8.180 nan 0.000 0.575 718 Q N 1.054 120.883 119.800 0.049 0.000 2.503 718 Q HA 0.365 4.712 4.340 0.013 0.000 0.268 718 Q C -1.609 174.183 176.000 -0.347 0.000 0.982 718 Q CA -0.397 55.264 55.803 -0.236 0.000 0.907 718 Q CB 2.196 30.596 28.738 -0.563 0.000 1.467 718 Q HN 0.606 nan 8.270 nan 0.000 0.394 719 Q N 1.715 121.291 119.800 -0.374 0.000 2.399 719 Q HA 0.680 5.028 4.340 0.013 0.000 0.276 719 Q C -1.073 174.767 176.000 -0.266 0.000 1.098 719 Q CA -0.715 55.035 55.803 -0.088 0.000 0.827 719 Q CB 2.349 31.228 28.738 0.235 0.000 1.386 719 Q HN 0.596 nan 8.270 nan 0.000 0.443 720 W N 0.931 122.398 121.300 0.279 0.000 3.372 720 W HA 0.373 5.040 4.660 0.012 0.000 0.315 720 W C -0.570 175.916 176.519 -0.055 0.000 1.223 720 W CA -0.625 56.791 57.345 0.117 0.000 1.202 720 W CB 1.579 31.074 29.460 0.059 0.000 1.367 720 W HN 0.459 nan 8.180 nan 0.000 0.531 721 R N 2.083 122.507 120.500 -0.126 0.000 2.390 721 R HA 0.480 4.828 4.340 0.013 0.000 0.291 721 R C 0.552 176.705 176.300 -0.245 0.000 1.070 721 R CA -0.173 55.562 56.100 -0.609 0.000 1.014 721 R CB 1.262 31.111 30.300 -0.752 0.000 1.007 721 R HN 0.309 nan 8.270 nan 0.000 0.466 722 L N 1.272 122.349 121.223 -0.243 0.000 2.793 722 L HA 0.509 4.857 4.340 0.013 0.000 0.188 722 L C 0.656 177.439 176.870 -0.144 0.000 1.949 722 L CA -0.976 53.788 54.840 -0.127 0.000 2.556 722 L CB -0.118 41.905 42.059 -0.061 0.000 2.898 722 L HN 0.593 nan 8.230 nan 0.000 0.621 723 A N 0.364 123.126 122.820 -0.096 0.000 2.445 723 A HA 0.244 4.571 4.320 0.013 0.000 0.242 723 A C -0.321 177.209 177.584 -0.090 0.000 1.075 723 A CA 0.151 52.140 52.037 -0.081 0.000 0.777 723 A CB 0.205 19.175 19.000 -0.049 0.000 1.013 723 A HN 0.612 nan 8.150 nan 0.000 0.493 724 E N 1.268 121.422 120.200 -0.077 0.000 2.248 724 E HA 0.318 4.676 4.350 0.013 0.000 0.267 724 E C -1.444 175.138 176.600 -0.030 0.000 0.877 724 E CA -0.717 55.645 56.400 -0.064 0.000 0.759 724 E CB 0.943 30.593 29.700 -0.084 0.000 1.182 724 E HN 0.676 nan 8.360 nan 0.000 0.418 725 N N 5.322 124.015 118.700 -0.010 0.000 2.626 725 N HA 0.252 5.000 4.740 0.013 0.000 0.242 725 N C -0.500 175.017 175.510 0.012 0.000 1.005 725 N CA -0.340 52.711 53.050 0.002 0.000 0.905 725 N CB 1.110 39.602 38.487 0.008 0.000 1.128 725 N HN 0.499 nan 8.380 nan 0.000 0.512 726 L N 0.850 122.079 121.223 0.010 0.000 2.490 726 L HA 0.033 4.381 4.340 0.013 0.000 0.274 726 L C 1.329 178.214 176.870 0.025 0.000 1.201 726 L CA 0.302 55.154 54.840 0.019 0.000 0.869 726 L CB 0.321 42.390 42.059 0.017 0.000 1.123 726 L HN 0.355 nan 8.230 nan 0.000 0.484 727 S N 1.867 117.587 115.700 0.033 0.000 2.505 727 S HA 0.262 4.739 4.470 0.013 0.000 0.276 727 S C 0.640 175.259 174.600 0.031 0.000 1.274 727 S CA -0.830 57.391 58.200 0.034 0.000 1.053 727 S CB 0.891 64.116 63.200 0.043 0.000 0.919 727 S HN 0.461 nan 8.310 nan 0.000 0.490 728 V N 2.260 122.189 119.914 0.026 0.000 3.528 728 V HA 0.320 4.448 4.120 0.013 0.000 0.294 728 V C 0.719 176.827 176.094 0.023 0.000 1.404 728 V CA 0.178 62.492 62.300 0.023 0.000 1.065 728 V CB -0.711 31.123 31.823 0.018 0.000 0.904 728 V HN 0.860 nan 8.190 nan 0.000 0.435 729 T N 0.799 115.369 114.554 0.025 0.000 2.780 729 T HA 0.678 5.035 4.350 0.013 0.000 0.294 729 T C -0.356 174.361 174.700 0.027 0.000 0.949 729 T CA -0.411 61.704 62.100 0.024 0.000 1.074 729 T CB 1.459 70.342 68.868 0.025 0.000 0.910 729 T HN 0.115 nan 8.240 nan 0.000 0.501 730 L N 5.102 126.339 121.223 0.024 0.000 2.452 730 L HA 0.391 4.739 4.340 0.013 0.000 0.267 730 L C -1.150 175.736 176.870 0.028 0.000 1.188 730 L CA -1.418 53.437 54.840 0.025 0.000 0.821 730 L CB -0.548 41.522 42.059 0.019 0.000 1.102 730 L HN 0.641 nan 8.230 nan 0.000 0.470 731 P HA 0.221 nan 4.420 nan 0.000 0.272 731 P C -0.912 176.407 177.300 0.032 0.000 1.223 731 P CA -0.629 62.493 63.100 0.037 0.000 0.784 731 P CB 0.650 32.376 31.700 0.043 0.000 0.923 732 A N 2.070 124.913 122.820 0.039 0.000 2.587 732 A HA 0.343 4.671 4.320 0.013 0.000 0.233 732 A C 0.811 178.413 177.584 0.030 0.000 1.049 732 A CA 0.239 52.300 52.037 0.041 0.000 0.754 732 A CB -0.628 18.410 19.000 0.064 0.000 0.977 732 A HN 0.741 nan 8.150 nan 0.000 0.509 733 A N 2.985 125.802 122.820 -0.006 0.000 2.488 733 A HA 0.484 4.811 4.320 0.013 0.000 0.249 733 A C 0.726 178.272 177.584 -0.065 0.000 1.083 733 A CA 0.017 52.019 52.037 -0.058 0.000 0.768 733 A CB -0.147 18.778 19.000 -0.124 0.000 1.017 733 A HN 0.963 nan 8.150 nan 0.000 0.496 734 S N 1.786 117.476 115.700 -0.017 0.000 2.474 734 S HA 0.269 4.747 4.470 0.013 0.000 0.276 734 S C 0.549 175.163 174.600 0.023 0.000 1.227 734 S CA -0.321 57.920 58.200 0.067 0.000 1.050 734 S CB 0.365 63.606 63.200 0.069 0.000 0.939 734 S HN 0.771 nan 8.310 nan 0.000 0.490 735 H N 2.332 121.417 119.070 0.026 0.000 2.294 735 H HA 0.250 4.814 4.556 0.013 0.000 0.306 735 H C 1.410 176.756 175.328 0.031 0.000 1.065 735 H CA 1.043 57.106 56.048 0.025 0.000 1.343 735 H CB -0.434 29.340 29.762 0.021 0.000 1.396 735 H HN 0.700 nan 8.280 nan 0.000 0.506 736 A N 1.234 124.164 122.820 0.182 0.000 2.448 736 A HA 0.361 4.689 4.320 0.013 0.000 0.239 736 A C -0.086 177.556 177.584 0.098 0.000 1.080 736 A CA 0.134 52.236 52.037 0.108 0.000 0.779 736 A CB -0.160 18.886 19.000 0.078 0.000 1.026 736 A HN 0.354 nan 8.150 nan 0.000 0.499 737 I N 1.639 122.269 120.570 0.101 0.000 2.478 737 I HA 0.287 4.464 4.170 0.013 0.000 0.287 737 I C -2.484 173.739 176.117 0.175 0.000 1.042 737 I CA -2.002 59.374 61.300 0.127 0.000 1.067 737 I CB 2.359 40.445 38.000 0.143 0.000 1.233 737 I HN 0.401 nan 8.210 nan 0.000 0.431 738 P HA 0.144 nan 4.420 nan 0.000 0.268 738 P C -1.031 176.452 177.300 0.306 0.000 1.205 738 P CA 0.213 63.422 63.100 0.180 0.000 0.771 738 P CB 0.318 32.089 31.700 0.118 0.000 0.858 739 H N 0.836 119.953 119.070 0.079 0.000 2.499 739 H HA 0.462 5.026 4.556 0.013 0.000 0.340 739 H C -0.560 174.811 175.328 0.071 0.000 1.148 739 H CA -1.084 54.998 56.048 0.057 0.000 1.215 739 H CB 1.680 31.473 29.762 0.052 0.000 1.529 739 H HN 0.274 nan 8.280 nan 0.000 0.510 740 L N 1.814 123.122 121.223 0.141 0.000 2.317 740 L HA 0.337 4.685 4.340 0.013 0.000 0.281 740 L C -0.525 176.415 176.870 0.115 0.000 1.024 740 L CA -0.071 54.832 54.840 0.105 0.000 0.810 740 L CB 1.745 43.808 42.059 0.007 0.000 1.240 740 L HN 0.529 nan 8.230 nan 0.000 0.427 741 T N 3.547 118.193 114.554 0.154 0.000 2.809 741 T HA 0.547 4.905 4.350 0.013 0.000 0.284 741 T C -0.418 174.394 174.700 0.188 0.000 0.992 741 T CA -0.346 61.838 62.100 0.140 0.000 0.957 741 T CB 1.046 69.985 68.868 0.119 0.000 0.942 741 T HN 0.723 nan 8.240 nan 0.000 0.439 742 T N 2.754 117.411 114.554 0.172 0.000 2.925 742 T HA 0.800 5.158 4.350 0.013 0.000 0.285 742 T C -0.173 174.582 174.700 0.093 0.000 1.021 742 T CA -0.807 61.419 62.100 0.210 0.000 1.042 742 T CB 1.396 70.420 68.868 0.259 0.000 1.037 742 T HN 0.713 nan 8.240 nan 0.000 0.481 743 S N 0.047 115.762 115.700 0.026 0.000 2.588 743 S HA 0.367 4.844 4.470 0.013 0.000 0.269 743 S C 0.632 175.179 174.600 -0.088 0.000 1.157 743 S CA -0.905 57.287 58.200 -0.015 0.000 0.824 743 S CB 1.675 64.873 63.200 -0.004 0.000 1.126 743 S HN 0.768 nan 8.310 nan 0.000 0.464 744 E N -0.210 119.948 120.200 -0.071 0.000 2.209 744 E HA -0.191 4.167 4.350 0.013 0.000 0.196 744 E C 1.374 177.890 176.600 -0.140 0.000 0.993 744 E CA 1.428 57.768 56.400 -0.099 0.000 0.819 744 E CB -0.113 29.553 29.700 -0.057 0.000 0.745 744 E HN 0.609 nan 8.360 nan 0.000 0.477 745 M N 0.403 119.939 119.600 -0.107 0.000 2.492 745 M HA 0.159 4.646 4.480 0.013 0.000 0.255 745 M C -0.863 175.371 176.300 -0.109 0.000 1.139 745 M CA 0.513 55.758 55.300 -0.092 0.000 1.096 745 M CB 0.861 33.440 32.600 -0.034 0.000 1.360 745 M HN -0.152 nan 8.290 nan 0.000 0.480 746 D N -1.240 119.075 120.400 -0.141 0.000 2.609 746 D HA 0.252 4.900 4.640 0.013 0.000 0.239 746 D C -1.590 174.660 176.300 -0.082 0.000 1.229 746 D CA -0.302 53.652 54.000 -0.078 0.000 0.808 746 D CB 1.476 42.318 40.800 0.069 0.000 1.448 746 D HN -0.150 nan 8.370 nan 0.000 0.433 747 F N 1.312 121.351 119.950 0.149 0.000 2.430 747 F HA 0.295 4.830 4.527 0.013 0.000 0.362 747 F C -0.095 175.850 175.800 0.242 0.000 1.103 747 F CA -0.986 57.090 58.000 0.126 0.000 1.045 747 F CB 0.851 39.870 39.000 0.031 0.000 1.276 747 F HN 0.165 nan 8.300 nan 0.000 0.444 748 C N 4.900 124.435 119.300 0.392 0.000 2.319 748 C HA 0.741 5.209 4.460 0.013 0.000 0.335 748 C C 0.103 175.292 174.990 0.331 0.000 1.274 748 C CA -0.811 58.425 59.018 0.363 0.000 1.806 748 C CB 0.164 28.056 27.740 0.252 0.000 2.329 748 C HN 0.473 nan 8.230 nan 0.000 0.524 749 I N 2.595 123.420 120.570 0.425 0.000 2.441 749 I HA 0.513 4.691 4.170 0.013 0.000 0.295 749 I C -0.010 176.398 176.117 0.485 0.000 0.994 749 I CA -0.106 61.438 61.300 0.407 0.000 1.144 749 I CB 1.218 39.451 38.000 0.389 0.000 1.314 749 I HN 0.673 nan 8.210 nan 0.000 0.445 750 E N 5.519 125.926 120.200 0.345 0.000 2.272 750 E HA 0.730 5.087 4.350 0.013 0.000 0.269 750 E C -1.927 174.808 176.600 0.225 0.000 0.877 750 E CA -0.841 55.709 56.400 0.251 0.000 0.755 750 E CB 2.233 31.995 29.700 0.104 0.000 1.192 750 E HN 0.513 nan 8.360 nan 0.000 0.422 751 L N 4.922 126.273 121.223 0.213 0.000 2.541 751 L HA 0.552 4.900 4.340 0.013 0.000 0.266 751 L C 0.207 177.115 176.870 0.064 0.000 0.966 751 L CA 0.792 55.730 54.840 0.163 0.000 0.871 751 L CB 1.316 43.567 42.059 0.321 0.000 1.232 751 L HN 0.814 nan 8.230 nan 0.000 0.408 752 G N 4.472 113.273 108.800 0.002 0.000 2.629 752 G HA2 -0.421 3.547 3.960 0.013 0.000 0.313 752 G HA3 -0.421 3.547 3.960 0.013 0.000 0.313 752 G C 0.514 175.388 174.900 -0.044 0.000 1.217 752 G CA 0.609 45.696 45.100 -0.022 0.000 0.994 752 G HN 1.258 nan 8.290 nan 0.000 0.549 753 N N 1.492 120.160 118.700 -0.054 0.000 2.276 753 N HA 0.136 4.884 4.740 0.013 0.000 0.212 753 N C 0.212 175.655 175.510 -0.112 0.000 1.127 753 N CA 0.537 53.542 53.050 -0.074 0.000 0.834 753 N CB 0.301 38.751 38.487 -0.062 0.000 1.014 753 N HN 0.722 nan 8.380 nan 0.000 0.491 754 K N 0.613 120.920 120.400 -0.156 0.000 2.207 754 K HA 0.503 4.831 4.320 0.013 0.000 0.255 754 K C -0.483 175.871 176.600 -0.411 0.000 0.941 754 K CA -0.570 55.500 56.287 -0.362 0.000 0.825 754 K CB 1.976 34.169 32.500 -0.510 0.000 1.119 754 K HN 0.024 nan 8.250 nan 0.000 0.430 755 R N 1.486 121.692 120.500 -0.489 0.000 2.621 755 R HA 0.413 4.761 4.340 0.013 0.000 0.284 755 R C -1.231 174.916 176.300 -0.255 0.000 0.998 755 R CA -0.837 55.161 56.100 -0.171 0.000 0.895 755 R CB 1.849 32.210 30.300 0.101 0.000 1.195 755 R HN 0.512 nan 8.270 nan 0.000 0.450 756 W N 2.400 123.812 121.300 0.186 0.000 2.702 756 W HA 0.361 5.029 4.660 0.013 0.000 0.331 756 W C -0.467 176.140 176.519 0.147 0.000 1.049 756 W CA -0.513 56.871 57.345 0.066 0.000 1.230 756 W CB 2.259 31.775 29.460 0.093 0.000 1.408 756 W HN 0.442 nan 8.180 nan 0.000 0.492 757 Q N 2.882 122.777 119.800 0.158 0.000 2.309 757 Q HA 0.429 4.777 4.340 0.013 0.000 0.270 757 Q C -1.931 174.037 176.000 -0.053 0.000 1.023 757 Q CA -0.440 55.481 55.803 0.197 0.000 0.758 757 Q CB 1.250 30.159 28.738 0.284 0.000 1.247 757 Q HN 0.307 nan 8.270 nan 0.000 0.455 758 F N 2.701 122.733 119.950 0.136 0.000 2.411 758 F HA 0.327 4.862 4.527 0.013 0.000 0.352 758 F C 0.567 176.402 175.800 0.059 0.000 1.123 758 F CA -0.928 57.119 58.000 0.079 0.000 1.044 758 F CB 1.264 40.309 39.000 0.075 0.000 1.135 758 F HN 0.505 nan 8.300 nan 0.000 0.461 759 N N 3.574 122.380 118.700 0.175 0.000 2.442 759 N HA 0.082 4.830 4.740 0.013 0.000 0.265 759 N C 0.893 176.425 175.510 0.036 0.000 1.138 759 N CA 0.027 53.132 53.050 0.092 0.000 0.956 759 N CB 0.711 39.258 38.487 0.100 0.000 1.067 759 N HN 0.683 nan 8.380 nan 0.000 0.474 760 R N 2.244 122.698 120.500 -0.077 0.000 2.280 760 R HA -0.082 4.266 4.340 0.013 0.000 0.207 760 R C 1.555 177.793 176.300 -0.104 0.000 1.043 760 R CA 0.685 56.687 56.100 -0.163 0.000 1.006 760 R CB 0.214 30.299 30.300 -0.360 0.000 0.885 760 R HN 0.690 nan 8.270 nan 0.000 0.467 761 Q N 0.253 120.020 119.800 -0.054 0.000 2.204 761 Q HA -0.054 4.294 4.340 0.013 0.000 0.198 761 Q C 1.736 177.724 176.000 -0.020 0.000 0.946 761 Q CA 1.397 57.179 55.803 -0.036 0.000 0.859 761 Q CB 0.370 29.102 28.738 -0.009 0.000 0.946 761 Q HN 0.287 nan 8.270 nan 0.000 0.474 762 S N -1.946 113.766 115.700 0.019 0.000 2.483 762 S HA 0.232 4.709 4.470 0.013 0.000 0.221 762 S C 1.394 175.913 174.600 -0.134 0.000 1.030 762 S CA 0.542 58.771 58.200 0.049 0.000 0.925 762 S CB 0.636 63.986 63.200 0.250 0.000 0.795 762 S HN 0.590 nan 8.310 nan 0.000 0.511 763 G N 0.594 109.333 108.800 -0.101 0.000 2.148 763 G HA2 -0.209 3.758 3.960 0.013 0.000 0.254 763 G HA3 -0.209 3.758 3.960 0.013 0.000 0.254 763 G C -0.198 174.650 174.900 -0.087 0.000 0.981 763 G CA 0.349 45.371 45.100 -0.129 0.000 0.670 763 G HN 0.471 nan 8.290 nan 0.000 0.528 764 F N -1.161 118.951 119.950 0.271 0.000 2.523 764 F HA 0.720 5.255 4.527 0.013 0.000 0.329 764 F C 0.401 176.215 175.800 0.023 0.000 1.061 764 F CA -1.797 56.315 58.000 0.188 0.000 0.967 764 F CB 1.345 40.421 39.000 0.126 0.000 1.218 764 F HN 0.015 nan 8.300 nan 0.000 0.480 765 L N 1.865 123.123 121.223 0.059 0.000 2.407 765 L HA 0.244 4.591 4.340 0.013 0.000 0.282 765 L C 0.934 177.697 176.870 -0.178 0.000 1.110 765 L CA 0.425 54.995 54.840 -0.450 0.000 0.863 765 L CB 0.254 41.971 42.059 -0.570 0.000 1.207 765 L HN 0.692 nan 8.230 nan 0.000 0.454 766 S N 2.589 118.194 115.700 -0.158 0.000 2.517 766 S HA 0.281 4.759 4.470 0.013 0.000 0.214 766 S C 0.542 175.013 174.600 -0.216 0.000 0.991 766 S CA -0.109 58.031 58.200 -0.101 0.000 0.906 766 S CB 0.092 63.287 63.200 -0.009 0.000 0.789 766 S HN 0.686 nan 8.310 nan 0.000 0.513 767 Q N -0.236 119.364 119.800 -0.333 0.000 2.647 767 Q HA 0.648 4.996 4.340 0.013 0.000 0.283 767 Q C -2.083 173.519 176.000 -0.663 0.000 0.943 767 Q CA -0.266 55.185 55.803 -0.586 0.000 0.813 767 Q CB 1.547 29.793 28.738 -0.820 0.000 1.477 767 Q HN 0.433 nan 8.270 nan 0.000 0.393 768 M N 1.426 120.509 119.600 -0.862 0.000 2.421 768 M HA 0.581 5.069 4.480 0.013 0.000 0.287 768 M C -1.516 174.332 176.300 -0.753 0.000 1.183 768 M CA -0.469 54.413 55.300 -0.695 0.000 0.916 768 M CB 2.248 34.482 32.600 -0.609 0.000 1.701 768 M HN 0.474 nan 8.290 nan 0.000 0.470 769 W N 3.259 124.332 121.300 -0.379 0.000 2.819 769 W HA 0.627 5.295 4.660 0.013 0.000 0.337 769 W C -1.280 175.046 176.519 -0.321 0.000 1.077 769 W CA -0.615 56.564 57.345 -0.276 0.000 1.226 769 W CB 1.725 31.059 29.460 -0.210 0.000 1.419 769 W HN 0.495 nan 8.180 nan 0.000 0.502 770 I N 3.315 123.881 120.570 -0.005 0.000 2.495 770 I HA 0.374 4.552 4.170 0.013 0.000 0.277 770 I C 0.760 176.865 176.117 -0.019 0.000 1.045 770 I CA 0.166 61.420 61.300 -0.076 0.000 1.135 770 I CB 0.909 38.846 38.000 -0.104 0.000 1.241 770 I HN 0.714 nan 8.210 nan 0.000 0.469 771 G N 5.596 114.379 108.800 -0.028 0.000 2.527 771 G HA2 -0.300 3.668 3.960 0.013 0.000 0.262 771 G HA3 -0.300 3.668 3.960 0.013 0.000 0.262 771 G C 0.048 174.946 174.900 -0.004 0.000 1.153 771 G CA 0.498 45.581 45.100 -0.028 0.000 0.954 771 G HN 0.589 nan 8.290 nan 0.000 0.552 772 D N 0.834 121.243 120.400 0.015 0.000 2.398 772 D HA 0.379 5.027 4.640 0.013 0.000 0.210 772 D C 0.669 177.073 176.300 0.174 0.000 1.094 772 D CA 0.168 54.190 54.000 0.035 0.000 0.839 772 D CB 0.665 41.457 40.800 -0.013 0.000 0.963 772 D HN 0.301 nan 8.370 nan 0.000 0.506 773 K N 2.198 122.690 120.400 0.154 0.000 2.276 773 K HA 0.163 4.491 4.320 0.013 0.000 0.285 773 K C -0.198 176.457 176.600 0.091 0.000 1.062 773 K CA -0.702 55.653 56.287 0.113 0.000 0.918 773 K CB 0.437 32.950 32.500 0.021 0.000 1.055 773 K HN -0.033 nan 8.250 nan 0.000 0.477 774 K N 3.343 123.747 120.400 0.006 0.000 2.382 774 K HA 0.043 4.371 4.320 0.013 0.000 0.275 774 K C 0.069 176.522 176.600 -0.244 0.000 1.009 774 K CA -0.127 55.977 56.287 -0.304 0.000 0.970 774 K CB 0.874 33.254 32.500 -0.199 0.000 0.934 774 K HN 0.427 nan 8.250 nan 0.000 0.479 775 Q N 1.645 121.240 119.800 -0.341 0.000 2.402 775 Q HA 0.234 4.582 4.340 0.013 0.000 0.231 775 Q C 0.213 176.142 176.000 -0.119 0.000 0.888 775 Q CA 0.509 56.228 55.803 -0.142 0.000 0.938 775 Q CB 0.394 29.072 28.738 -0.100 0.000 1.086 775 Q HN 0.632 nan 8.270 nan 0.000 0.543 776 L N 0.541 121.620 121.223 -0.239 0.000 2.342 776 L HA 0.401 4.749 4.340 0.013 0.000 0.271 776 L C 0.874 177.618 176.870 -0.209 0.000 1.008 776 L CA -0.363 54.356 54.840 -0.202 0.000 0.818 776 L CB 1.653 43.579 42.059 -0.222 0.000 1.296 776 L HN -0.067 nan 8.230 nan 0.000 0.427 777 L N 0.314 121.411 121.223 -0.211 0.000 2.672 777 L HA 0.270 4.618 4.340 0.013 0.000 0.236 777 L C -0.201 176.561 176.870 -0.180 0.000 1.092 777 L CA 0.527 55.255 54.840 -0.186 0.000 0.887 777 L CB 0.928 42.866 42.059 -0.201 0.000 1.168 777 L HN 0.626 nan 8.230 nan 0.000 0.502 778 T N 0.113 114.529 114.554 -0.229 0.000 3.032 778 T HA 0.333 4.691 4.350 0.013 0.000 0.312 778 T C -2.621 171.994 174.700 -0.142 0.000 1.078 778 T CA -1.056 60.944 62.100 -0.167 0.000 1.028 778 T CB 2.421 71.157 68.868 -0.219 0.000 1.091 778 T HN -0.296 nan 8.240 nan 0.000 0.457 779 P HA 0.057 nan 4.420 nan 0.000 0.266 779 P C -0.515 176.736 177.300 -0.081 0.000 1.186 779 P CA -0.624 62.435 63.100 -0.068 0.000 0.767 779 P CB 0.414 32.105 31.700 -0.014 0.000 0.820 780 L N 4.585 125.795 121.223 -0.023 0.000 2.407 780 L HA 0.203 4.551 4.340 0.013 0.000 0.282 780 L C 0.146 176.970 176.870 -0.076 0.000 1.110 780 L CA 0.646 55.508 54.840 0.035 0.000 0.863 780 L CB -0.740 41.444 42.059 0.207 0.000 1.207 780 L HN 0.297 nan 8.230 nan 0.000 0.454 781 R N 2.647 122.995 120.500 -0.253 0.000 2.888 781 R HA 0.520 4.868 4.340 0.013 0.000 0.266 781 R C -0.874 175.274 176.300 -0.252 0.000 1.020 781 R CA -1.102 54.657 56.100 -0.569 0.000 0.963 781 R CB 1.016 30.758 30.300 -0.931 0.000 1.197 781 R HN 0.480 nan 8.270 nan 0.000 0.481 782 D N 1.054 121.369 120.400 -0.142 0.000 2.382 782 D HA 0.051 4.699 4.640 0.013 0.000 0.240 782 D C -0.456 175.482 176.300 -0.603 0.000 1.146 782 D CA 0.358 54.143 54.000 -0.358 0.000 0.897 782 D CB 0.662 41.173 40.800 -0.482 0.000 1.197 782 D HN 0.216 nan 8.370 nan 0.000 0.432 783 Q N 0.949 120.208 119.800 -0.903 0.000 2.289 783 Q HA 0.323 4.671 4.340 0.013 0.000 0.270 783 Q C -1.261 174.074 176.000 -1.107 0.000 1.038 783 Q CA -0.579 54.764 55.803 -0.767 0.000 0.812 783 Q CB 0.861 29.347 28.738 -0.421 0.000 1.300 783 Q HN 0.500 nan 8.270 nan 0.000 0.427 784 F N 0.351 119.947 119.950 -0.591 0.000 2.746 784 F HA 0.181 4.716 4.527 0.013 0.000 0.320 784 F C 0.631 176.023 175.800 -0.680 0.000 1.097 784 F CA -0.039 57.506 58.000 -0.759 0.000 1.195 784 F CB 1.378 39.646 39.000 -1.220 0.000 1.056 784 F HN 0.411 nan 8.300 nan 0.000 0.562 785 T N -0.673 113.613 114.554 -0.447 0.000 2.926 785 T HA 0.816 5.174 4.350 0.013 0.000 0.289 785 T C -0.474 174.014 174.700 -0.354 0.000 1.054 785 T CA -0.955 60.822 62.100 -0.537 0.000 1.015 785 T CB 2.764 71.293 68.868 -0.566 0.000 1.167 785 T HN 0.247 nan 8.240 nan 0.000 0.526 786 R N -0.328 120.010 120.500 -0.269 0.000 2.740 786 R HA 0.752 5.100 4.340 0.013 0.000 0.273 786 R C -0.918 175.421 176.300 0.064 0.000 0.998 786 R CA -1.237 54.806 56.100 -0.094 0.000 0.900 786 R CB 1.452 31.695 30.300 -0.095 0.000 1.223 786 R HN 0.827 nan 8.270 nan 0.000 0.466 787 A N 3.754 126.598 122.820 0.041 0.000 2.515 787 A HA 0.253 4.581 4.320 0.013 0.000 0.263 787 A C -1.880 175.757 177.584 0.088 0.000 1.096 787 A CA -1.234 50.824 52.037 0.035 0.000 0.769 787 A CB -0.480 18.496 19.000 -0.041 0.000 1.040 787 A HN 0.596 nan 8.150 nan 0.000 0.505 788 P HA 0.001 nan 4.420 nan 0.000 0.260 788 P C -0.304 177.109 177.300 0.188 0.000 1.172 788 P CA 0.690 63.935 63.100 0.242 0.000 0.760 788 P CB 0.281 32.142 31.700 0.270 0.000 0.773 789 L N 2.877 124.187 121.223 0.145 0.000 2.468 789 L HA 0.159 4.507 4.340 0.013 0.000 0.254 789 L C 1.797 178.718 176.870 0.085 0.000 1.171 789 L CA -0.496 54.375 54.840 0.051 0.000 0.809 789 L CB -0.128 41.894 42.059 -0.062 0.000 1.155 789 L HN 0.208 nan 8.230 nan 0.000 0.473 790 D N 0.048 120.465 120.400 0.028 0.000 2.158 790 D HA -0.167 4.481 4.640 0.013 0.000 0.197 790 D C 1.674 177.988 176.300 0.024 0.000 0.995 790 D CA 1.342 55.345 54.000 0.004 0.000 0.846 790 D CB -0.036 40.751 40.800 -0.022 0.000 0.941 790 D HN 0.437 nan 8.370 nan 0.000 0.456 791 N N 0.509 119.215 118.700 0.010 0.000 2.331 791 N HA -0.089 4.659 4.740 0.013 0.000 0.180 791 N C 0.953 176.498 175.510 0.059 0.000 1.019 791 N CA 0.678 53.739 53.050 0.018 0.000 0.881 791 N CB -0.020 38.460 38.487 -0.012 0.000 0.972 791 N HN 0.256 nan 8.380 nan 0.000 0.435 792 D N 0.731 121.184 120.400 0.090 0.000 2.162 792 D HA 0.041 4.688 4.640 0.013 0.000 0.203 792 D C 2.070 178.434 176.300 0.107 0.000 0.967 792 D CA 0.368 54.455 54.000 0.146 0.000 0.840 792 D CB 0.074 41.048 40.800 0.291 0.000 0.972 792 D HN 0.282 nan 8.370 nan 0.000 0.482 793 I N 0.680 121.301 120.570 0.085 0.000 2.286 793 I HA -0.071 4.107 4.170 0.013 0.000 0.245 793 I C 1.294 177.405 176.117 -0.011 0.000 1.104 793 I CA 0.773 62.095 61.300 0.037 0.000 1.397 793 I CB -0.460 37.543 38.000 0.006 0.000 1.072 793 I HN 0.032 nan 8.210 nan 0.000 0.417 794 G N 2.398 111.195 108.800 -0.005 0.000 2.371 794 G HA2 -0.180 3.788 3.960 0.013 0.000 0.299 794 G HA3 -0.180 3.788 3.960 0.013 0.000 0.299 794 G C 0.002 174.877 174.900 -0.042 0.000 1.014 794 G CA 0.476 45.568 45.100 -0.013 0.000 1.097 794 G HN 0.452 nan 8.290 nan 0.000 0.512 795 V N -2.136 117.719 119.914 -0.099 0.000 2.525 795 V HA 0.847 4.974 4.120 0.013 0.000 0.299 795 V C 0.751 176.543 176.094 -0.502 0.000 1.034 795 V CA 0.199 62.367 62.300 -0.221 0.000 0.863 795 V CB 1.422 33.124 31.823 -0.202 0.000 0.999 795 V HN 0.948 nan 8.190 nan 0.000 0.423 796 S N 2.160 117.415 115.700 -0.743 0.000 2.517 796 S HA 0.323 4.801 4.470 0.013 0.000 0.214 796 S C 0.322 174.232 174.600 -1.150 0.000 0.991 796 S CA -0.073 57.116 58.200 -1.685 0.000 0.906 796 S CB -0.223 62.178 63.200 -1.331 0.000 0.789 796 S HN 0.870 nan 8.310 nan 0.000 0.513 797 E N 0.223 120.044 120.200 -0.632 0.000 2.275 797 E HA 0.585 4.943 4.350 0.013 0.000 0.270 797 E C -0.008 176.421 176.600 -0.286 0.000 0.882 797 E CA -0.393 55.758 56.400 -0.416 0.000 0.758 797 E CB 1.902 31.389 29.700 -0.354 0.000 1.195 797 E HN 0.177 nan 8.360 nan 0.000 0.419 798 A N 1.901 124.593 122.820 -0.213 0.000 2.125 798 A HA -0.137 4.191 4.320 0.013 0.000 0.219 798 A C 1.854 179.371 177.584 -0.112 0.000 1.156 798 A CA 1.846 53.803 52.037 -0.134 0.000 0.671 798 A CB -0.586 18.369 19.000 -0.075 0.000 0.794 798 A HN 0.623 nan 8.150 nan 0.000 0.459 799 T N -3.247 111.229 114.554 -0.130 0.000 3.107 799 T HA 0.279 4.637 4.350 0.013 0.000 0.249 799 T C 0.592 175.228 174.700 -0.108 0.000 1.096 799 T CA -0.299 61.739 62.100 -0.104 0.000 1.012 799 T CB -0.111 68.696 68.868 -0.102 0.000 0.977 799 T HN 0.375 nan 8.240 nan 0.000 0.527 800 R N 0.731 121.152 120.500 -0.132 0.000 2.360 800 R HA 0.561 4.909 4.340 0.013 0.000 0.318 800 R C -1.438 174.797 176.300 -0.108 0.000 0.950 800 R CA -0.794 55.231 56.100 -0.125 0.000 0.837 800 R CB 1.157 31.363 30.300 -0.156 0.000 1.165 800 R HN 0.173 nan 8.270 nan 0.000 0.458 801 I N 2.517 123.037 120.570 -0.084 0.000 2.306 801 I HA 0.081 4.259 4.170 0.013 0.000 0.288 801 I C -0.207 175.866 176.117 -0.074 0.000 1.036 801 I CA -0.503 60.754 61.300 -0.071 0.000 1.221 801 I CB 1.093 39.062 38.000 -0.051 0.000 1.385 801 I HN 0.380 nan 8.210 nan 0.000 0.472 802 D N 9.052 129.403 120.400 -0.081 0.000 2.347 802 D HA 0.286 4.934 4.640 0.013 0.000 0.235 802 D C -1.492 174.749 176.300 -0.098 0.000 1.149 802 D CA -2.235 51.712 54.000 -0.088 0.000 0.850 802 D CB 1.680 42.426 40.800 -0.091 0.000 1.061 802 D HN 0.230 nan 8.370 nan 0.000 0.487 803 P HA -0.120 nan 4.420 nan 0.000 0.225 803 P C 0.777 177.980 177.300 -0.163 0.000 1.148 803 P CA 0.590 63.626 63.100 -0.108 0.000 0.779 803 P CB 0.452 32.099 31.700 -0.088 0.000 0.780 804 N N 0.287 118.880 118.700 -0.179 0.000 2.446 804 N HA 0.032 4.780 4.740 0.013 0.000 0.179 804 N C 0.536 175.837 175.510 -0.348 0.000 1.054 804 N CA 0.082 52.978 53.050 -0.256 0.000 0.905 804 N CB -0.471 37.893 38.487 -0.205 0.000 0.973 804 N HN -0.020 nan 8.380 nan 0.000 0.448 805 A N -0.468 122.198 122.820 -0.258 0.000 2.483 805 A HA 0.069 4.397 4.320 0.013 0.000 0.238 805 A C 0.695 178.062 177.584 -0.360 0.000 1.070 805 A CA -0.308 51.578 52.037 -0.251 0.000 0.770 805 A CB -0.181 18.744 19.000 -0.125 0.000 1.008 805 A HN 0.538 nan 8.150 nan 0.000 0.497 806 W N 1.538 122.592 121.300 -0.410 0.000 2.321 806 W HA -0.173 4.495 4.660 0.013 0.000 0.306 806 W C 2.192 178.161 176.519 -0.917 0.000 1.217 806 W CA 1.714 58.557 57.345 -0.837 0.000 1.257 806 W CB -0.349 28.498 29.460 -1.022 0.000 1.145 806 W HN 0.539 nan 8.180 nan 0.000 0.509 807 V N 0.705 120.537 119.914 -0.137 0.000 2.490 807 V HA -0.232 3.896 4.120 0.013 0.000 0.250 807 V C 2.108 178.304 176.094 0.169 0.000 1.061 807 V CA 1.957 64.400 62.300 0.238 0.000 1.064 807 V CB -0.306 31.680 31.823 0.270 0.000 0.670 807 V HN 0.059 nan 8.190 nan 0.000 0.461 808 E N -0.016 120.179 120.200 -0.008 0.000 2.152 808 E HA -0.133 4.225 4.350 0.013 0.000 0.192 808 E C 2.335 178.902 176.600 -0.054 0.000 0.983 808 E CA 0.899 57.288 56.400 -0.018 0.000 0.818 808 E CB -0.246 29.412 29.700 -0.070 0.000 0.758 808 E HN 0.612 nan 8.360 nan 0.000 0.467 809 R N -0.370 120.019 120.500 -0.185 0.000 2.090 809 R HA -0.065 4.283 4.340 0.013 0.000 0.228 809 R C 2.216 178.443 176.300 -0.123 0.000 1.110 809 R CA 0.901 56.862 56.100 -0.232 0.000 0.973 809 R CB -0.085 29.947 30.300 -0.446 0.000 0.869 809 R HN 0.225 nan 8.270 nan 0.000 0.440 810 W N 1.618 122.872 121.300 -0.076 0.000 2.407 810 W HA -0.019 4.649 4.660 0.013 0.000 0.305 810 W C 1.894 178.368 176.519 -0.075 0.000 1.196 810 W CA 0.636 57.833 57.345 -0.247 0.000 1.311 810 W CB -0.595 28.824 29.460 -0.068 0.000 1.135 810 W HN 0.061 nan 8.180 nan 0.000 0.514 811 K N 0.305 120.941 120.400 0.394 0.000 2.032 811 K HA -0.118 4.210 4.320 0.013 0.000 0.209 811 K C 2.259 178.931 176.600 0.120 0.000 1.048 811 K CA 1.946 58.425 56.287 0.321 0.000 0.927 811 K CB -0.638 32.002 32.500 0.235 0.000 0.712 811 K HN -0.026 nan 8.250 nan 0.000 0.441 812 A N 1.061 123.919 122.820 0.063 0.000 2.019 812 A HA -0.072 4.256 4.320 0.013 0.000 0.219 812 A C 2.180 179.765 177.584 0.001 0.000 1.164 812 A CA 1.748 53.801 52.037 0.027 0.000 0.644 812 A CB -0.502 18.498 19.000 0.000 0.000 0.805 812 A HN 0.347 nan 8.150 nan 0.000 0.449 813 A N -1.971 120.829 122.820 -0.032 0.000 2.208 813 A HA 0.412 4.740 4.320 0.013 0.000 0.209 813 A C 1.797 179.323 177.584 -0.097 0.000 1.161 813 A CA 1.196 53.219 52.037 -0.023 0.000 0.782 813 A CB -0.762 18.211 19.000 -0.046 0.000 0.816 813 A HN 1.845 nan 8.150 nan 0.000 0.477 814 G N -1.397 107.253 108.800 -0.251 0.000 2.136 814 G HA2 -0.302 3.666 3.960 0.013 0.000 0.242 814 G HA3 -0.302 3.666 3.960 0.013 0.000 0.242 814 G C 0.585 175.441 174.900 -0.073 0.000 0.989 814 G CA 0.652 45.382 45.100 -0.616 0.000 0.682 814 G HN 0.741 nan 8.290 nan 0.000 0.522 815 H N -1.548 117.468 119.070 -0.090 0.000 2.422 815 H HA -0.104 4.460 4.556 0.013 0.000 0.298 815 H C 2.111 177.359 175.328 -0.133 0.000 1.098 815 H CA 1.600 57.599 56.048 -0.080 0.000 1.315 815 H CB 0.098 29.748 29.762 -0.188 0.000 1.382 815 H HN 0.598 nan 8.280 nan 0.000 0.523 816 Y N 0.400 120.813 120.300 0.189 0.000 2.544 816 Y HA -0.039 4.519 4.550 0.013 0.000 0.286 816 Y C 1.769 177.748 175.900 0.133 0.000 1.141 816 Y CA 0.636 58.813 58.100 0.129 0.000 1.299 816 Y CB 0.361 38.883 38.460 0.103 0.000 1.030 816 Y HN 0.225 nan 8.280 nan 0.000 0.543 817 Q N -0.632 119.321 119.800 0.254 0.000 2.189 817 Q HA 0.365 4.712 4.340 0.013 0.000 0.223 817 Q C 0.528 176.716 176.000 0.314 0.000 0.828 817 Q CA -0.140 55.823 55.803 0.267 0.000 0.967 817 Q CB 0.753 29.660 28.738 0.281 0.000 1.139 817 Q HN 0.220 nan 8.270 nan 0.000 0.497 818 A N 1.833 124.841 122.820 0.313 0.000 2.540 818 A HA 0.064 4.392 4.320 0.013 0.000 0.239 818 A C -0.134 177.713 177.584 0.438 0.000 1.061 818 A CA 0.388 52.655 52.037 0.385 0.000 0.758 818 A CB 0.221 19.457 19.000 0.394 0.000 0.991 818 A HN 0.172 nan 8.150 nan 0.000 0.502 819 E N 0.821 121.210 120.200 0.316 0.000 2.191 819 E HA 0.508 4.866 4.350 0.013 0.000 0.274 819 E C -0.310 176.278 176.600 -0.019 0.000 0.948 819 E CA -0.713 55.809 56.400 0.204 0.000 0.802 819 E CB 1.902 31.685 29.700 0.139 0.000 1.137 819 E HN 0.769 nan 8.360 nan 0.000 0.397 820 A N 2.089 124.794 122.820 -0.192 0.000 2.350 820 A HA 0.492 4.820 4.320 0.013 0.000 0.293 820 A C -0.125 177.334 177.584 -0.210 0.000 1.231 820 A CA -0.274 51.398 52.037 -0.609 0.000 0.883 820 A CB 0.115 18.810 19.000 -0.508 0.000 1.133 820 A HN 0.567 nan 8.150 nan 0.000 0.533 821 A N 3.065 125.756 122.820 -0.215 0.000 2.260 821 A HA 0.548 4.876 4.320 0.013 0.000 0.308 821 A C -0.169 177.324 177.584 -0.151 0.000 1.254 821 A CA -0.518 51.453 52.037 -0.110 0.000 0.874 821 A CB 0.183 19.139 19.000 -0.074 0.000 1.153 821 A HN 1.218 nan 8.150 nan 0.000 0.527 822 L N 3.581 124.700 121.223 -0.172 0.000 2.361 822 L HA 0.285 4.633 4.340 0.013 0.000 0.278 822 L C 0.481 177.209 176.870 -0.236 0.000 1.113 822 L CA 0.362 54.997 54.840 -0.341 0.000 0.849 822 L CB 0.171 42.053 42.059 -0.295 0.000 1.155 822 L HN 0.765 nan 8.230 nan 0.000 0.452 823 L N 3.451 124.521 121.223 -0.255 0.000 2.425 823 L HA 0.308 4.656 4.340 0.013 0.000 0.215 823 L C 0.543 177.345 176.870 -0.114 0.000 1.065 823 L CA 0.112 54.872 54.840 -0.134 0.000 0.842 823 L CB -0.011 41.999 42.059 -0.080 0.000 1.033 823 L HN 0.733 nan 8.230 nan 0.000 0.474 824 Q N -0.356 119.350 119.800 -0.155 0.000 2.438 824 Q HA 0.326 4.674 4.340 0.013 0.000 0.272 824 Q C -2.071 173.874 176.000 -0.091 0.000 0.994 824 Q CA -0.532 55.218 55.803 -0.089 0.000 0.887 824 Q CB 2.942 31.655 28.738 -0.041 0.000 1.432 824 Q HN 0.067 nan 8.270 nan 0.000 0.392 825 C N 3.406 122.695 119.300 -0.018 0.000 2.892 825 C HA 0.751 5.219 4.460 0.013 0.000 0.360 825 C C -0.722 174.390 174.990 0.204 0.000 1.054 825 C CA 0.407 59.462 59.018 0.062 0.000 1.326 825 C CB 0.449 28.207 27.740 0.030 0.000 1.806 825 C HN 0.838 nan 8.230 nan 0.000 0.490 826 T N 2.348 116.975 114.554 0.123 0.000 2.907 826 T HA 0.920 5.278 4.350 0.013 0.000 0.290 826 T C -0.482 174.021 174.700 -0.328 0.000 1.066 826 T CA -0.328 61.791 62.100 0.032 0.000 1.012 826 T CB 1.983 70.835 68.868 -0.026 0.000 1.184 826 T HN 1.694 nan 8.240 nan 0.000 0.522 827 A N 1.245 123.685 122.820 -0.632 0.000 2.398 827 A HA 0.721 5.049 4.320 0.013 0.000 0.301 827 A C -1.428 175.898 177.584 -0.429 0.000 1.041 827 A CA -0.762 50.793 52.037 -0.805 0.000 0.711 827 A CB 1.275 19.306 19.000 -1.614 0.000 1.240 827 A HN 0.837 nan 8.150 nan 0.000 0.420 828 D N 1.537 121.755 120.400 -0.304 0.000 2.787 828 D HA 0.425 5.073 4.640 0.013 0.000 0.246 828 D C -0.887 175.319 176.300 -0.157 0.000 1.150 828 D CA 0.040 53.927 54.000 -0.188 0.000 0.864 828 D CB 2.232 42.952 40.800 -0.132 0.000 1.481 828 D HN 0.392 nan 8.370 nan 0.000 0.509 829 T N 2.434 116.915 114.554 -0.121 0.000 2.743 829 T HA 0.438 4.796 4.350 0.013 0.000 0.293 829 T C 0.730 175.389 174.700 -0.068 0.000 0.945 829 T CA -0.348 61.697 62.100 -0.092 0.000 1.030 829 T CB 0.821 69.640 68.868 -0.083 0.000 0.912 829 T HN 0.100 nan 8.240 nan 0.000 0.483 830 L N 1.522 122.711 121.223 -0.056 0.000 2.491 830 L HA 0.598 4.946 4.340 0.013 0.000 0.264 830 L C 2.052 178.906 176.870 -0.027 0.000 1.053 830 L CA -1.148 53.668 54.840 -0.041 0.000 0.858 830 L CB 0.212 42.247 42.059 -0.040 0.000 1.519 830 L HN 0.680 nan 8.230 nan 0.000 0.508 831 A N 0.588 123.396 122.820 -0.020 0.000 1.859 831 A HA -0.194 4.133 4.320 0.013 0.000 0.217 831 A C 1.100 178.683 177.584 -0.002 0.000 1.198 831 A CA 2.272 54.302 52.037 -0.012 0.000 0.629 831 A CB -0.523 18.470 19.000 -0.012 0.000 0.830 831 A HN 0.891 nan 8.150 nan 0.000 0.446 832 D N -2.098 118.301 120.400 -0.002 0.000 2.720 832 D HA 0.553 5.201 4.640 0.013 0.000 0.285 832 D C -0.213 176.090 176.300 0.006 0.000 1.359 832 D CA 0.638 54.645 54.000 0.011 0.000 0.818 832 D CB -0.024 40.781 40.800 0.008 0.000 1.108 832 D HN 0.557 nan 8.370 nan 0.000 0.474 833 A N -0.487 122.328 122.820 -0.008 0.000 2.597 833 A HA 0.543 4.870 4.320 0.013 0.000 0.292 833 A C -1.710 175.843 177.584 -0.052 0.000 1.057 833 A CA -0.697 51.321 52.037 -0.031 0.000 0.674 833 A CB 1.606 20.581 19.000 -0.041 0.000 1.278 833 A HN 0.017 nan 8.150 nan 0.000 0.416 834 V N 1.146 121.011 119.914 -0.082 0.000 2.435 834 V HA 0.596 4.724 4.120 0.013 0.000 0.290 834 V C -0.739 175.261 176.094 -0.156 0.000 1.030 834 V CA -0.452 61.778 62.300 -0.116 0.000 0.881 834 V CB 1.336 33.093 31.823 -0.110 0.000 0.983 834 V HN 0.814 nan 8.190 nan 0.000 0.445 835 L N 6.570 127.690 121.223 -0.172 0.000 2.305 835 L HA 0.625 4.972 4.340 0.013 0.000 0.284 835 L C -0.742 175.982 176.870 -0.244 0.000 1.013 835 L CA 0.013 54.754 54.840 -0.164 0.000 0.819 835 L CB 1.243 43.236 42.059 -0.111 0.000 1.227 835 L HN 0.400 nan 8.230 nan 0.000 0.417 836 I N 4.311 124.735 120.570 -0.245 0.000 2.362 836 I HA 0.392 4.570 4.170 0.013 0.000 0.289 836 I C -0.113 175.971 176.117 -0.055 0.000 0.994 836 I CA -0.251 60.857 61.300 -0.320 0.000 1.158 836 I CB 1.429 38.977 38.000 -0.754 0.000 1.315 836 I HN 0.543 nan 8.210 nan 0.000 0.451 837 T N 5.091 119.618 114.554 -0.045 0.000 2.797 837 T HA 0.664 5.022 4.350 0.013 0.000 0.279 837 T C 0.246 174.990 174.700 0.073 0.000 0.991 837 T CA -0.528 61.596 62.100 0.041 0.000 0.979 837 T CB 1.756 70.627 68.868 0.004 0.000 0.943 837 T HN 0.752 nan 8.240 nan 0.000 0.444 838 T N -0.617 114.021 114.554 0.139 0.000 2.906 838 T HA 0.871 5.229 4.350 0.013 0.000 0.295 838 T C -1.180 173.576 174.700 0.093 0.000 1.075 838 T CA -1.114 61.050 62.100 0.106 0.000 1.005 838 T CB 2.035 71.038 68.868 0.226 0.000 1.136 838 T HN 0.788 nan 8.240 nan 0.000 0.498 839 A N 1.428 124.220 122.820 -0.047 0.000 2.437 839 A HA 0.743 5.071 4.320 0.013 0.000 0.293 839 A C -1.405 176.065 177.584 -0.190 0.000 1.038 839 A CA -0.760 51.281 52.037 0.007 0.000 0.708 839 A CB 0.815 19.821 19.000 0.011 0.000 1.251 839 A HN 0.997 nan 8.150 nan 0.000 0.409 840 H N 0.176 119.279 119.070 0.056 0.000 2.797 840 H HA 0.830 5.394 4.556 0.013 0.000 0.372 840 H C -0.103 175.212 175.328 -0.021 0.000 1.168 840 H CA 0.206 56.175 56.048 -0.131 0.000 1.163 840 H CB 2.207 31.719 29.762 -0.415 0.000 1.778 840 H HN 1.021 nan 8.280 nan 0.000 0.551 841 A N 1.652 124.449 122.820 -0.038 0.000 2.385 841 A HA 0.305 4.632 4.320 0.013 0.000 0.290 841 A C -1.502 176.098 177.584 0.028 0.000 1.094 841 A CA -0.688 51.419 52.037 0.118 0.000 0.729 841 A CB 0.932 19.974 19.000 0.071 0.000 1.194 841 A HN 0.554 nan 8.150 nan 0.000 0.442 842 W N 2.603 124.008 121.300 0.175 0.000 2.331 842 W HA 0.402 5.070 4.660 0.013 0.000 0.306 842 W C -0.117 176.409 176.519 0.011 0.000 1.162 842 W CA -0.042 57.394 57.345 0.152 0.000 1.232 842 W CB 1.290 30.900 29.460 0.251 0.000 1.235 842 W HN 0.736 nan 8.180 nan 0.000 0.479 843 Q N 1.407 121.322 119.800 0.192 0.000 2.496 843 Q HA 0.473 4.820 4.340 0.013 0.000 0.286 843 Q C -0.886 175.231 176.000 0.196 0.000 1.103 843 Q CA -0.909 54.968 55.803 0.125 0.000 0.813 843 Q CB 3.577 32.358 28.738 0.073 0.000 1.444 843 Q HN 0.384 nan 8.270 nan 0.000 0.443 844 H N 1.257 120.352 119.070 0.041 0.000 3.042 844 H HA 0.040 4.604 4.556 0.013 0.000 0.345 844 H C -0.868 174.485 175.328 0.042 0.000 1.052 844 H CA -0.121 55.962 56.048 0.058 0.000 1.311 844 H CB 1.125 30.932 29.762 0.075 0.000 1.810 844 H HN 0.713 nan 8.280 nan 0.000 0.505 845 Q N 2.964 122.585 119.800 -0.299 0.000 2.457 845 Q HA -0.192 4.156 4.340 0.013 0.000 0.283 845 Q C 1.005 176.976 176.000 -0.049 0.000 1.234 845 Q CA 1.399 57.095 55.803 -0.178 0.000 0.877 845 Q CB -2.209 26.447 28.738 -0.137 0.000 1.250 845 Q HN 1.176 nan 8.270 nan 0.000 0.481 846 G N -0.752 108.032 108.800 -0.026 0.000 2.184 846 G HA2 -0.374 3.594 3.960 0.013 0.000 0.264 846 G HA3 -0.374 3.594 3.960 0.013 0.000 0.264 846 G C 0.054 174.964 174.900 0.017 0.000 0.975 846 G CA 0.708 45.807 45.100 -0.001 0.000 0.642 846 G HN 0.446 nan 8.290 nan 0.000 0.536 847 K N 1.599 122.019 120.400 0.033 0.000 2.240 847 K HA 0.614 4.942 4.320 0.013 0.000 0.271 847 K C 0.178 176.791 176.600 0.023 0.000 1.018 847 K CA -0.248 56.059 56.287 0.034 0.000 0.874 847 K CB 0.720 33.250 32.500 0.051 0.000 1.098 847 K HN -0.004 nan 8.250 nan 0.000 0.458 848 T N 6.570 121.128 114.554 0.008 0.000 2.738 848 T HA 0.174 4.532 4.350 0.013 0.000 0.294 848 T C 1.197 175.844 174.700 -0.088 0.000 0.914 848 T CA -0.284 61.816 62.100 -0.000 0.000 1.052 848 T CB 0.166 69.052 68.868 0.031 0.000 0.897 848 T HN 0.533 nan 8.240 nan 0.000 0.522 849 L N 2.317 123.396 121.223 -0.239 0.000 2.084 849 L HA 0.263 4.611 4.340 0.013 0.000 0.202 849 L C -0.032 176.364 176.870 -0.790 0.000 1.074 849 L CA 0.984 55.415 54.840 -0.681 0.000 0.757 849 L CB -0.039 41.286 42.059 -1.224 0.000 0.918 849 L HN 0.475 nan 8.230 nan 0.000 0.444 850 F N -1.283 118.627 119.950 -0.067 0.000 2.613 850 F HA 0.609 5.144 4.527 0.013 0.000 0.314 850 F C -0.431 175.493 175.800 0.207 0.000 1.075 850 F CA -1.139 56.773 58.000 -0.146 0.000 0.945 850 F CB 1.573 40.069 39.000 -0.840 0.000 1.310 850 F HN -0.326 nan 8.300 nan 0.000 0.467 851 I N 1.270 122.095 120.570 0.425 0.000 2.512 851 I HA 0.334 4.512 4.170 0.013 0.000 0.287 851 I C -0.976 175.440 176.117 0.498 0.000 1.069 851 I CA -0.469 61.106 61.300 0.457 0.000 1.056 851 I CB 2.191 40.354 38.000 0.271 0.000 1.229 851 I HN 0.559 nan 8.210 nan 0.000 0.429 852 S N 6.899 123.015 115.700 0.693 0.000 2.456 852 S HA 0.585 5.062 4.470 0.013 0.000 0.316 852 S C -0.668 174.195 174.600 0.438 0.000 1.089 852 S CA -0.637 57.924 58.200 0.601 0.000 1.101 852 S CB 0.742 64.446 63.200 0.841 0.000 0.995 852 S HN 0.551 nan 8.310 nan 0.000 0.468 853 R N 3.600 124.277 120.500 0.294 0.000 2.393 853 R HA 0.544 4.892 4.340 0.013 0.000 0.315 853 R C -0.695 175.699 176.300 0.157 0.000 0.952 853 R CA -0.713 55.512 56.100 0.209 0.000 0.842 853 R CB 1.739 32.132 30.300 0.154 0.000 1.163 853 R HN 0.578 nan 8.270 nan 0.000 0.450 854 K N 0.762 121.256 120.400 0.157 0.000 2.433 854 K HA 0.529 4.856 4.320 0.013 0.000 0.252 854 K C -0.829 175.805 176.600 0.057 0.000 1.015 854 K CA -0.990 55.329 56.287 0.053 0.000 0.860 854 K CB 2.506 35.021 32.500 0.026 0.000 1.359 854 K HN 0.606 nan 8.250 nan 0.000 0.452 855 T N -1.380 113.133 114.554 -0.067 0.000 2.971 855 T HA 0.476 4.834 4.350 0.013 0.000 0.304 855 T C -1.425 173.222 174.700 -0.089 0.000 1.038 855 T CA -0.786 61.319 62.100 0.008 0.000 1.007 855 T CB 0.327 69.195 68.868 -0.000 0.000 1.055 855 T HN 0.379 nan 8.240 nan 0.000 0.451 856 Y N 1.403 121.686 120.300 -0.029 0.000 2.328 856 Y HA 0.641 5.199 4.550 0.013 0.000 0.337 856 Y C 0.616 176.454 175.900 -0.104 0.000 0.966 856 Y CA -1.228 56.864 58.100 -0.012 0.000 1.136 856 Y CB 1.718 40.224 38.460 0.077 0.000 1.170 856 Y HN 0.681 nan 8.280 nan 0.000 0.470 857 R N 4.650 125.170 120.500 0.034 0.000 2.320 857 R HA 0.579 4.927 4.340 0.013 0.000 0.319 857 R C -1.572 174.673 176.300 -0.092 0.000 0.969 857 R CA -0.320 55.756 56.100 -0.040 0.000 0.857 857 R CB 0.288 30.573 30.300 -0.025 0.000 1.160 857 R HN 0.765 nan 8.270 nan 0.000 0.491 858 I N 5.102 125.560 120.570 -0.187 0.000 2.304 858 I HA 0.193 4.370 4.170 0.013 0.000 0.291 858 I C -0.127 175.884 176.117 -0.177 0.000 1.018 858 I CA -0.709 60.399 61.300 -0.319 0.000 1.260 858 I CB 1.241 38.836 38.000 -0.674 0.000 1.390 858 I HN 0.665 nan 8.210 nan 0.000 0.475 859 D N 4.214 124.555 120.400 -0.100 0.000 2.549 859 D HA 0.257 4.905 4.640 0.013 0.000 0.270 859 D C 1.321 177.630 176.300 0.016 0.000 1.181 859 D CA -0.743 53.240 54.000 -0.029 0.000 1.070 859 D CB 0.630 41.428 40.800 -0.003 0.000 1.154 859 D HN 0.458 nan 8.370 nan 0.000 0.602 860 G N -1.427 107.399 108.800 0.042 0.000 2.586 860 G HA2 -0.151 3.817 3.960 0.013 0.000 0.215 860 G HA3 -0.151 3.817 3.960 0.013 0.000 0.215 860 G C 1.029 175.985 174.900 0.094 0.000 1.128 860 G CA 0.959 46.104 45.100 0.075 0.000 0.774 860 G HN 0.516 nan 8.290 nan 0.000 0.543 861 S N -1.327 114.425 115.700 0.086 0.000 2.556 861 S HA 0.399 4.877 4.470 0.013 0.000 0.216 861 S C 1.703 176.377 174.600 0.123 0.000 0.970 861 S CA 0.827 59.085 58.200 0.098 0.000 0.912 861 S CB 0.214 63.464 63.200 0.083 0.000 0.790 861 S HN 1.377 nan 8.310 nan 0.000 0.504 862 G N 0.876 109.769 108.800 0.156 0.000 2.143 862 G HA2 -0.223 3.745 3.960 0.013 0.000 0.249 862 G HA3 -0.223 3.745 3.960 0.013 0.000 0.249 862 G C -0.262 174.782 174.900 0.240 0.000 0.981 862 G CA -0.040 45.227 45.100 0.278 0.000 0.665 862 G HN 0.595 nan 8.290 nan 0.000 0.528 863 Q N -0.482 119.386 119.800 0.114 0.000 2.257 863 Q HA 0.609 4.957 4.340 0.013 0.000 0.255 863 Q C 0.115 176.122 176.000 0.012 0.000 0.920 863 Q CA -0.436 55.427 55.803 0.101 0.000 0.927 863 Q CB 1.708 30.501 28.738 0.092 0.000 1.229 863 Q HN 0.430 nan 8.270 nan 0.000 0.433 864 M N 2.355 121.987 119.600 0.052 0.000 2.047 864 M HA 0.441 4.928 4.480 0.013 0.000 0.342 864 M C -1.166 175.201 176.300 0.111 0.000 1.058 864 M CA -0.446 54.853 55.300 -0.001 0.000 0.991 864 M CB 0.700 33.288 32.600 -0.021 0.000 1.474 864 M HN 0.682 nan 8.290 nan 0.000 0.419 865 A N 7.092 129.949 122.820 0.062 0.000 2.302 865 A HA 0.589 4.917 4.320 0.013 0.000 0.295 865 A C -0.601 176.997 177.584 0.022 0.000 1.235 865 A CA -0.512 51.564 52.037 0.065 0.000 0.876 865 A CB -0.147 18.880 19.000 0.044 0.000 1.133 865 A HN 0.921 nan 8.150 nan 0.000 0.533 866 I N 2.496 123.067 120.570 0.002 0.000 2.354 866 I HA 0.315 4.492 4.170 0.013 0.000 0.292 866 I C -0.111 175.892 176.117 -0.190 0.000 0.989 866 I CA -0.157 61.040 61.300 -0.172 0.000 1.188 866 I CB 1.991 39.897 38.000 -0.157 0.000 1.342 866 I HN 0.471 nan 8.210 nan 0.000 0.457 867 T N 5.835 120.245 114.554 -0.240 0.000 2.791 867 T HA 0.471 4.829 4.350 0.013 0.000 0.288 867 T C -0.270 174.256 174.700 -0.290 0.000 0.999 867 T CA -0.452 61.518 62.100 -0.216 0.000 0.952 867 T CB 1.541 70.378 68.868 -0.052 0.000 0.938 867 T HN 0.197 nan 8.240 nan 0.000 0.444 868 V N 3.928 123.539 119.914 -0.505 0.000 2.417 868 V HA 0.491 4.619 4.120 0.013 0.000 0.291 868 V C -0.478 175.465 176.094 -0.252 0.000 1.024 868 V CA -0.868 61.157 62.300 -0.459 0.000 0.861 868 V CB 1.812 33.100 31.823 -0.893 0.000 0.985 868 V HN 0.831 nan 8.190 nan 0.000 0.436 869 D N 3.560 123.974 120.400 0.023 0.000 2.549 869 D HA 0.495 5.142 4.640 0.013 0.000 0.251 869 D C -0.984 175.446 176.300 0.217 0.000 1.153 869 D CA -0.104 53.999 54.000 0.172 0.000 0.861 869 D CB 2.727 43.647 40.800 0.199 0.000 1.207 869 D HN 0.260 nan 8.370 nan 0.000 0.543 870 V N 2.112 122.190 119.914 0.272 0.000 2.581 870 V HA 0.331 4.459 4.120 0.013 0.000 0.303 870 V C 0.103 176.346 176.094 0.249 0.000 1.041 870 V CA -0.671 61.807 62.300 0.297 0.000 0.907 870 V CB 2.528 34.564 31.823 0.356 0.000 0.994 870 V HN 0.381 nan 8.190 nan 0.000 0.442 871 E N 1.967 122.304 120.200 0.228 0.000 2.187 871 E HA 0.635 4.993 4.350 0.013 0.000 0.268 871 E C -1.620 175.102 176.600 0.204 0.000 0.896 871 E CA -0.516 55.994 56.400 0.183 0.000 0.766 871 E CB 2.428 32.221 29.700 0.155 0.000 1.142 871 E HN 0.432 nan 8.360 nan 0.000 0.408 872 V N 2.495 122.530 119.914 0.203 0.000 2.444 872 V HA 0.372 4.500 4.120 0.013 0.000 0.294 872 V C 0.052 176.253 176.094 0.179 0.000 1.022 872 V CA -0.939 61.513 62.300 0.252 0.000 0.850 872 V CB 1.415 33.419 31.823 0.301 0.000 0.992 872 V HN 0.852 nan 8.190 nan 0.000 0.426 873 A N 3.672 126.560 122.820 0.113 0.000 2.584 873 A HA 0.220 4.548 4.320 0.013 0.000 0.239 873 A C 1.647 179.307 177.584 0.127 0.000 1.043 873 A CA 0.691 52.776 52.037 0.081 0.000 0.756 873 A CB 0.194 19.205 19.000 0.020 0.000 0.963 873 A HN 1.365 nan 8.150 nan 0.000 0.511 874 S N 1.342 117.111 115.700 0.114 0.000 2.419 874 S HA -0.159 4.319 4.470 0.013 0.000 0.233 874 S C 0.981 175.661 174.600 0.133 0.000 1.016 874 S CA 1.270 59.555 58.200 0.141 0.000 0.974 874 S CB -0.270 62.992 63.200 0.103 0.000 0.786 874 S HN 0.840 nan 8.310 nan 0.000 0.492 875 D N 0.465 120.918 120.400 0.088 0.000 2.339 875 D HA 0.095 4.743 4.640 0.013 0.000 0.217 875 D C 0.544 176.876 176.300 0.053 0.000 1.050 875 D CA 0.110 54.144 54.000 0.057 0.000 0.856 875 D CB -0.398 40.423 40.800 0.035 0.000 0.922 875 D HN 0.329 nan 8.370 nan 0.000 0.518 876 T N 1.772 116.385 114.554 0.098 0.000 2.928 876 T HA 0.355 4.713 4.350 0.013 0.000 0.284 876 T C -2.596 172.213 174.700 0.181 0.000 1.008 876 T CA -1.887 60.296 62.100 0.139 0.000 1.057 876 T CB 1.429 70.396 68.868 0.165 0.000 1.018 876 T HN -0.104 nan 8.240 nan 0.000 0.493 877 P HA 0.093 nan 4.420 nan 0.000 0.268 877 P C -0.500 177.115 177.300 0.526 0.000 1.204 877 P CA -0.265 62.927 63.100 0.153 0.000 0.768 877 P CB 0.211 31.934 31.700 0.038 0.000 0.842 878 H N 3.542 122.979 119.070 0.612 0.000 3.094 878 H HA 0.026 4.590 4.556 0.013 0.000 0.320 878 H C -1.651 174.058 175.328 0.634 0.000 1.000 878 H CA -1.288 55.074 56.048 0.523 0.000 1.413 878 H CB -0.883 29.117 29.762 0.398 0.000 1.405 878 H HN 0.389 nan 8.280 nan 0.000 0.586 879 P HA 0.048 nan 4.420 nan 0.000 0.271 879 P C 0.338 177.578 177.300 -0.099 0.000 1.218 879 P CA -0.222 62.971 63.100 0.155 0.000 0.780 879 P CB 0.844 32.437 31.700 -0.178 0.000 0.901 880 A N 3.864 126.375 122.820 -0.514 0.000 2.019 880 A HA -0.117 4.211 4.320 0.013 0.000 0.219 880 A C 1.083 178.311 177.584 -0.593 0.000 1.164 880 A CA 1.355 53.046 52.037 -0.577 0.000 0.644 880 A CB -0.561 17.859 19.000 -0.967 0.000 0.805 880 A HN 0.778 nan 8.150 nan 0.000 0.449 881 R N -3.033 117.146 120.500 -0.536 0.000 2.728 881 R HA 0.700 5.048 4.340 0.013 0.000 0.274 881 R C -1.678 174.379 176.300 -0.405 0.000 1.032 881 R CA -0.779 55.014 56.100 -0.512 0.000 0.866 881 R CB 0.648 30.582 30.300 -0.610 0.000 1.263 881 R HN -0.009 nan 8.270 nan 0.000 0.475 882 I N 1.318 121.677 120.570 -0.352 0.000 2.542 882 I HA 0.665 4.842 4.170 0.013 0.000 0.278 882 I C -0.354 175.529 176.117 -0.390 0.000 1.069 882 I CA -0.327 60.783 61.300 -0.316 0.000 1.100 882 I CB 1.744 39.627 38.000 -0.195 0.000 1.204 882 I HN 0.973 nan 8.210 nan 0.000 0.470 883 G N 5.727 114.241 108.800 -0.476 0.000 2.664 883 G HA2 0.732 4.700 3.960 0.013 0.000 0.303 883 G HA3 0.732 4.700 3.960 0.013 0.000 0.303 883 G C -1.649 173.083 174.900 -0.279 0.000 1.243 883 G CA -0.578 44.289 45.100 -0.388 0.000 0.826 883 G HN 0.242 nan 8.290 nan 0.000 0.498 884 L N 0.925 122.034 121.223 -0.190 0.000 2.333 884 L HA 0.662 5.010 4.340 0.013 0.000 0.263 884 L C -0.820 175.947 176.870 -0.172 0.000 1.014 884 L CA -1.139 53.616 54.840 -0.143 0.000 0.820 884 L CB 2.461 44.514 42.059 -0.010 0.000 1.352 884 L HN 0.805 nan 8.230 nan 0.000 0.421 885 N N 0.699 119.325 118.700 -0.124 0.000 2.484 885 N HA 0.656 5.404 4.740 0.013 0.000 0.269 885 N C -1.318 174.188 175.510 -0.007 0.000 1.237 885 N CA -0.499 52.511 53.050 -0.067 0.000 0.838 885 N CB 2.454 40.929 38.487 -0.020 0.000 1.593 885 N HN 0.861 nan 8.380 nan 0.000 0.485 886 C N -0.652 118.645 119.300 -0.005 0.000 3.306 886 C HA 0.594 5.062 4.460 0.013 0.000 0.335 886 C C -1.175 173.583 174.990 -0.387 0.000 1.382 886 C CA -0.815 58.138 59.018 -0.110 0.000 1.254 886 C CB 1.116 28.833 27.740 -0.039 0.000 1.555 886 C HN 0.864 nan 8.230 nan 0.000 0.463 887 Q N 1.573 120.934 119.800 -0.732 0.000 2.425 887 Q HA 0.634 4.982 4.340 0.013 0.000 0.254 887 Q C -1.034 174.657 176.000 -0.516 0.000 1.032 887 Q CA -0.426 54.714 55.803 -1.106 0.000 0.798 887 Q CB 0.695 28.315 28.738 -1.864 0.000 1.210 887 Q HN 0.766 nan 8.270 nan 0.000 0.491 888 L N 2.402 123.447 121.223 -0.296 0.000 2.467 888 L HA 0.195 4.543 4.340 0.013 0.000 0.270 888 L C 1.240 178.059 176.870 -0.085 0.000 1.205 888 L CA 0.026 54.820 54.840 -0.076 0.000 0.828 888 L CB 0.589 42.717 42.059 0.114 0.000 1.101 888 L HN 0.803 nan 8.230 nan 0.000 0.479 889 A N 1.764 124.565 122.820 -0.032 0.000 1.970 889 A HA -0.047 4.281 4.320 0.013 0.000 0.216 889 A C 1.132 178.718 177.584 0.004 0.000 1.170 889 A CA 0.476 52.488 52.037 -0.042 0.000 0.645 889 A CB -0.196 18.771 19.000 -0.054 0.000 0.816 889 A HN 0.805 nan 8.150 nan 0.000 0.447 890 Q N -0.054 119.785 119.800 0.064 0.000 2.394 890 Q HA 0.421 4.769 4.340 0.013 0.000 0.248 890 Q C -1.450 174.590 176.000 0.067 0.000 0.992 890 Q CA 0.003 55.829 55.803 0.038 0.000 0.888 890 Q CB 0.857 29.604 28.738 0.015 0.000 1.257 890 Q HN 0.171 nan 8.270 nan 0.000 0.462 891 V N 3.044 122.956 119.914 -0.003 0.000 2.398 891 V HA 0.572 4.700 4.120 0.013 0.000 0.282 891 V C -0.524 175.534 176.094 -0.060 0.000 1.014 891 V CA -0.567 61.760 62.300 0.046 0.000 0.838 891 V CB 0.898 32.742 31.823 0.034 0.000 1.018 891 V HN 0.862 nan 8.190 nan 0.000 0.432 892 A N 3.250 125.961 122.820 -0.182 0.000 2.269 892 A HA 0.756 5.084 4.320 0.013 0.000 0.327 892 A C 0.734 178.330 177.584 0.021 0.000 1.112 892 A CA -0.443 51.456 52.037 -0.228 0.000 0.865 892 A CB 0.997 19.633 19.000 -0.607 0.000 1.227 892 A HN 0.791 nan 8.150 nan 0.000 0.498 893 E N -0.163 120.047 120.200 0.017 0.000 2.190 893 E HA 0.026 4.384 4.350 0.013 0.000 0.191 893 E C 0.030 176.703 176.600 0.122 0.000 0.978 893 E CA 0.422 56.863 56.400 0.068 0.000 0.839 893 E CB 0.167 29.887 29.700 0.034 0.000 0.787 893 E HN 0.397 nan 8.360 nan 0.000 0.473 894 R N 0.724 121.306 120.500 0.135 0.000 2.832 894 R HA 0.530 4.878 4.340 0.013 0.000 0.271 894 R C -0.736 175.748 176.300 0.308 0.000 0.996 894 R CA -0.896 55.315 56.100 0.185 0.000 0.977 894 R CB 1.898 32.274 30.300 0.126 0.000 1.168 894 R HN -0.162 nan 8.270 nan 0.000 0.482 895 V N 2.162 122.271 119.914 0.325 0.000 2.443 895 V HA 0.327 4.455 4.120 0.013 0.000 0.293 895 V C -0.278 176.094 176.094 0.463 0.000 1.021 895 V CA -0.952 61.585 62.300 0.395 0.000 0.848 895 V CB 1.734 33.743 31.823 0.309 0.000 0.998 895 V HN 0.621 nan 8.190 nan 0.000 0.424 896 N N 4.624 123.560 118.700 0.394 0.000 2.342 896 N HA 0.559 5.307 4.740 0.013 0.000 0.293 896 N C -1.306 174.444 175.510 0.400 0.000 1.026 896 N CA -0.391 52.849 53.050 0.317 0.000 0.857 896 N CB 2.569 41.145 38.487 0.148 0.000 1.256 896 N HN 0.809 nan 8.380 nan 0.000 0.484 897 W N 3.371 124.703 121.300 0.053 0.000 3.213 897 W HA 0.548 5.216 4.660 0.013 0.000 0.318 897 W C -2.183 174.296 176.519 -0.066 0.000 1.248 897 W CA -1.084 56.264 57.345 0.006 0.000 1.187 897 W CB 0.588 30.072 29.460 0.041 0.000 1.403 897 W HN 0.225 nan 8.180 nan 0.000 0.556 898 L N 4.350 125.540 121.223 -0.054 0.000 2.277 898 L HA 0.915 5.262 4.340 0.013 0.000 0.284 898 L C 0.061 176.777 176.870 -0.257 0.000 1.028 898 L CA 0.481 55.100 54.840 -0.369 0.000 0.835 898 L CB 0.634 42.566 42.059 -0.211 0.000 1.215 898 L HN 1.008 nan 8.230 nan 0.000 0.425 899 G N 3.804 112.315 108.800 -0.482 0.000 2.356 899 G HA2 0.212 4.179 3.960 0.013 0.000 0.281 899 G HA3 0.212 4.179 3.960 0.013 0.000 0.281 899 G C -1.648 173.323 174.900 0.119 0.000 1.246 899 G CA -1.001 44.078 45.100 -0.034 0.000 0.889 899 G HN 0.409 nan 8.290 nan 0.000 0.486 900 L N 1.254 122.677 121.223 0.334 0.000 2.331 900 L HA 0.642 4.990 4.340 0.013 0.000 0.278 900 L C 1.006 178.022 176.870 0.243 0.000 1.106 900 L CA 0.562 55.553 54.840 0.252 0.000 0.824 900 L CB 0.726 42.866 42.059 0.134 0.000 1.142 900 L HN 1.108 nan 8.230 nan 0.000 0.443 901 G N 2.908 111.663 108.800 -0.076 0.000 2.494 901 G HA2 0.273 4.241 3.960 0.013 0.000 0.308 901 G HA3 0.273 4.241 3.960 0.013 0.000 0.308 901 G C -2.691 171.431 174.900 -1.296 0.000 1.263 901 G CA -0.225 44.465 45.100 -0.684 0.000 0.840 901 G HN 0.324 nan 8.290 nan 0.000 0.479 902 P HA 0.062 nan 4.420 nan 0.000 0.231 902 P C 0.401 177.486 177.300 -0.358 0.000 1.168 902 P CA 0.656 63.057 63.100 -1.163 0.000 0.779 902 P CB 0.529 31.627 31.700 -1.004 0.000 0.844 903 Q N 0.446 120.032 119.800 -0.357 0.000 2.318 903 Q HA 0.167 4.515 4.340 0.013 0.000 0.222 903 Q C 0.381 176.261 176.000 -0.201 0.000 1.003 903 Q CA -0.662 55.013 55.803 -0.214 0.000 0.936 903 Q CB 0.698 29.332 28.738 -0.173 0.000 1.204 903 Q HN 0.118 nan 8.270 nan 0.000 0.524 904 E N 1.309 121.401 120.200 -0.180 0.000 2.502 904 E HA -0.092 4.266 4.350 0.013 0.000 0.261 904 E C -1.175 175.339 176.600 -0.143 0.000 0.974 904 E CA 0.237 56.521 56.400 -0.193 0.000 0.936 904 E CB 0.248 29.895 29.700 -0.087 0.000 0.926 904 E HN 0.588 nan 8.360 nan 0.000 0.459 905 N N 2.747 121.289 118.700 -0.263 0.000 2.367 905 N HA 0.298 5.046 4.740 0.013 0.000 0.278 905 N C -1.896 173.377 175.510 -0.396 0.000 1.117 905 N CA -0.671 52.275 53.050 -0.173 0.000 0.867 905 N CB 0.689 39.096 38.487 -0.135 0.000 1.649 905 N HN 0.235 nan 8.380 nan 0.000 0.479 906 Y N 0.266 120.470 120.300 -0.161 0.000 2.598 906 Y HA 0.499 5.056 4.550 0.013 0.000 0.340 906 Y C -1.594 174.224 175.900 -0.137 0.000 1.038 906 Y CA -2.045 55.944 58.100 -0.185 0.000 1.100 906 Y CB 1.874 40.218 38.460 -0.194 0.000 1.281 906 Y HN 0.451 nan 8.280 nan 0.000 0.488 907 P HA -0.221 nan 4.420 nan 0.000 0.218 907 P C 0.384 177.561 177.300 -0.205 0.000 1.154 907 P CA 2.335 65.463 63.100 0.047 0.000 0.872 907 P CB 0.190 32.016 31.700 0.209 0.000 0.790 908 D N -2.631 117.429 120.400 -0.568 0.000 2.342 908 D HA 0.015 4.663 4.640 0.013 0.000 0.221 908 D C 0.679 176.823 176.300 -0.260 0.000 1.101 908 D CA 0.092 53.559 54.000 -0.888 0.000 0.837 908 D CB -0.285 39.732 40.800 -1.305 0.000 0.938 908 D HN 0.115 nan 8.370 nan 0.000 0.508 909 R N 1.004 121.452 120.500 -0.087 0.000 2.684 909 R HA 0.193 4.541 4.340 0.013 0.000 0.252 909 R C -0.684 175.644 176.300 0.048 0.000 1.628 909 R CA -0.144 55.971 56.100 0.024 0.000 1.622 909 R CB 0.088 30.409 30.300 0.035 0.000 1.418 909 R HN 0.108 nan 8.270 nan 0.000 0.697 910 L N -1.898 119.360 121.223 0.058 0.000 3.386 910 L HA 0.324 4.672 4.340 0.013 0.000 0.307 910 L C 1.318 178.243 176.870 0.092 0.000 1.235 910 L CA 0.075 54.947 54.840 0.053 0.000 1.056 910 L CB 0.088 42.167 42.059 0.033 0.000 1.453 910 L HN 0.074 nan 8.230 nan 0.000 0.615 911 T N -2.485 112.152 114.554 0.138 0.000 2.833 911 T HA -0.026 4.332 4.350 0.013 0.000 0.269 911 T C 1.819 176.578 174.700 0.099 0.000 1.054 911 T CA 1.404 63.614 62.100 0.183 0.000 1.135 911 T CB -0.372 68.658 68.868 0.271 0.000 0.869 911 T HN 0.389 nan 8.240 nan 0.000 0.466 912 A N 1.862 124.739 122.820 0.095 0.000 2.014 912 A HA 0.612 4.940 4.320 0.013 0.000 0.218 912 A C 1.699 179.351 177.584 0.114 0.000 1.163 912 A CA 0.615 52.667 52.037 0.025 0.000 0.652 912 A CB -1.036 18.103 19.000 0.232 0.000 0.808 912 A HN 0.847 nan 8.150 nan 0.000 0.449 913 A N -1.181 121.663 122.820 0.040 0.000 2.425 913 A HA 0.431 4.759 4.320 0.013 0.000 0.242 913 A C 0.054 177.663 177.584 0.041 0.000 1.077 913 A CA 0.094 52.121 52.037 -0.016 0.000 0.781 913 A CB -0.164 18.819 19.000 -0.029 0.000 1.020 913 A HN 0.541 nan 8.150 nan 0.000 0.494 914 C N 0.242 119.574 119.300 0.053 0.000 2.634 914 C HA 0.561 5.029 4.460 0.013 0.000 0.313 914 C C -0.238 174.849 174.990 0.162 0.000 1.198 914 C CA -0.531 58.560 59.018 0.121 0.000 1.605 914 C CB 0.923 28.745 27.740 0.137 0.000 2.196 914 C HN 0.787 nan 8.230 nan 0.000 0.486 915 F N 3.457 123.241 119.950 -0.277 0.000 2.438 915 F HA 0.528 5.063 4.527 0.013 0.000 0.356 915 F C 0.363 175.814 175.800 -0.581 0.000 1.099 915 F CA 1.217 58.897 58.000 -0.533 0.000 1.185 915 F CB 0.070 38.251 39.000 -1.365 0.000 1.115 915 F HN 0.634 nan 8.300 nan 0.000 0.526 916 D N 2.894 122.581 120.400 -1.189 0.000 2.893 916 D HA 0.133 4.781 4.640 0.013 0.000 0.346 916 D C -1.718 173.684 176.300 -1.496 0.000 1.402 916 D CA -0.724 52.520 54.000 -1.260 0.000 0.815 916 D CB 1.251 41.287 40.800 -1.275 0.000 1.403 916 D HN 0.433 nan 8.370 nan 0.000 0.484 917 R N 0.872 120.613 120.500 -1.265 0.000 2.196 917 R HA 0.461 4.808 4.340 0.013 0.000 0.340 917 R C -1.338 174.250 176.300 -1.186 0.000 1.043 917 R CA -0.114 55.394 56.100 -0.986 0.000 0.883 917 R CB -0.070 29.881 30.300 -0.582 0.000 1.078 917 R HN 0.262 nan 8.270 nan 0.000 0.462 918 W N 2.912 123.661 121.300 -0.918 0.000 2.570 918 W HA 0.403 5.071 4.660 0.013 0.000 0.337 918 W C -0.274 175.813 176.519 -0.720 0.000 1.067 918 W CA -0.692 56.038 57.345 -1.024 0.000 1.229 918 W CB 1.663 30.005 29.460 -1.862 0.000 1.355 918 W HN 0.377 nan 8.180 nan 0.000 0.555 919 D N 3.320 123.656 120.400 -0.107 0.000 2.616 919 D HA 0.429 5.077 4.640 0.013 0.000 0.238 919 D C -1.488 174.897 176.300 0.142 0.000 1.354 919 D CA -0.149 53.884 54.000 0.056 0.000 0.970 919 D CB 0.939 41.742 40.800 0.004 0.000 1.369 919 D HN 0.372 nan 8.370 nan 0.000 0.585 920 L N 3.306 124.689 121.223 0.266 0.000 2.327 920 L HA 0.600 4.948 4.340 0.013 0.000 0.258 920 L C -2.266 174.720 176.870 0.194 0.000 1.024 920 L CA -2.018 52.951 54.840 0.216 0.000 0.825 920 L CB 2.770 44.984 42.059 0.259 0.000 1.386 920 L HN 0.175 nan 8.230 nan 0.000 0.417 921 P HA 0.025 nan 4.420 nan 0.000 0.272 921 P C 0.570 177.947 177.300 0.128 0.000 1.223 921 P CA -0.424 62.747 63.100 0.119 0.000 0.784 921 P CB 1.267 33.016 31.700 0.082 0.000 0.923 922 L N 3.435 124.739 121.223 0.134 0.000 2.051 922 L HA -0.265 4.082 4.340 0.013 0.000 0.214 922 L C 2.495 179.409 176.870 0.074 0.000 1.076 922 L CA 2.862 57.770 54.840 0.112 0.000 0.758 922 L CB -1.628 40.510 42.059 0.131 0.000 0.890 922 L HN 0.501 nan 8.230 nan 0.000 0.433 923 S N -1.539 114.207 115.700 0.076 0.000 2.387 923 S HA -0.224 4.254 4.470 0.013 0.000 0.230 923 S C 1.657 176.326 174.600 0.116 0.000 1.035 923 S CA 1.349 59.609 58.200 0.099 0.000 1.014 923 S CB -0.918 62.334 63.200 0.087 0.000 0.836 923 S HN 0.540 nan 8.310 nan 0.000 0.466 924 D N 1.101 121.546 120.400 0.074 0.000 2.350 924 D HA 0.073 4.721 4.640 0.013 0.000 0.216 924 D C 1.282 177.582 176.300 -0.000 0.000 0.968 924 D CA 0.645 54.667 54.000 0.036 0.000 0.894 924 D CB -0.198 40.629 40.800 0.045 0.000 0.909 924 D HN 0.375 nan 8.370 nan 0.000 0.520 925 M N -0.512 119.095 119.600 0.013 0.000 2.563 925 M HA 0.055 4.543 4.480 0.013 0.000 0.231 925 M C -0.081 176.212 176.300 -0.013 0.000 1.136 925 M CA 0.004 55.263 55.300 -0.068 0.000 1.026 925 M CB -0.857 31.691 32.600 -0.086 0.000 1.597 925 M HN -0.039 nan 8.290 nan 0.000 0.495 926 Y N 0.024 120.278 120.300 -0.076 0.000 2.350 926 Y HA 0.471 5.029 4.550 0.013 0.000 0.338 926 Y C -0.711 175.141 175.900 -0.081 0.000 0.961 926 Y CA -0.988 57.090 58.100 -0.037 0.000 1.100 926 Y CB 1.249 39.749 38.460 0.067 0.000 1.179 926 Y HN -0.133 nan 8.280 nan 0.000 0.454 927 T N 9.327 123.428 114.554 -0.755 0.000 2.753 927 T HA 0.244 4.601 4.350 0.013 0.000 0.297 927 T C -2.494 171.439 174.700 -1.279 0.000 0.981 927 T CA -1.446 60.132 62.100 -0.870 0.000 0.956 927 T CB 0.913 69.326 68.868 -0.757 0.000 0.936 927 T HN 0.483 nan 8.240 nan 0.000 0.463 928 P HA 0.004 nan 4.420 nan 0.000 0.246 928 P C -0.621 176.537 177.300 -0.238 0.000 1.675 928 P CA -0.313 62.380 63.100 -0.677 0.000 0.908 928 P CB -0.649 30.793 31.700 -0.430 0.000 1.890 929 Y N -0.301 119.951 120.300 -0.081 0.000 2.717 929 Y HA -0.096 4.462 4.550 0.013 0.000 0.330 929 Y C 2.264 178.234 175.900 0.117 0.000 1.217 929 Y CA -0.007 58.118 58.100 0.042 0.000 1.506 929 Y CB 0.046 38.449 38.460 -0.096 0.000 1.268 929 Y HN -0.120 nan 8.280 nan 0.000 0.561 930 V N 3.432 123.588 119.914 0.403 0.000 2.324 930 V HA -0.305 3.823 4.120 0.013 0.000 0.250 930 V C 0.684 176.969 176.094 0.318 0.000 1.060 930 V CA 1.492 64.006 62.300 0.356 0.000 1.042 930 V CB -0.617 31.456 31.823 0.417 0.000 0.650 930 V HN 0.599 nan 8.190 nan 0.000 0.450 931 F N 2.717 122.739 119.950 0.120 0.000 2.371 931 F HA 0.495 5.030 4.527 0.013 0.000 0.363 931 F C -2.402 173.427 175.800 0.049 0.000 1.122 931 F CA -3.610 54.405 58.000 0.025 0.000 1.129 931 F CB 0.718 39.646 39.000 -0.120 0.000 1.173 931 F HN -0.002 nan 8.300 nan 0.000 0.489 932 P HA 0.224 nan 4.420 nan 0.000 0.268 932 P C -1.035 176.016 177.300 -0.416 0.000 1.205 932 P CA 0.241 63.132 63.100 -0.349 0.000 0.771 932 P CB 1.022 32.523 31.700 -0.331 0.000 0.858 933 S N 0.218 115.834 115.700 -0.140 0.000 2.683 933 S HA 0.409 4.887 4.470 0.013 0.000 0.269 933 S C -0.957 173.644 174.600 0.002 0.000 1.165 933 S CA -1.000 57.151 58.200 -0.082 0.000 0.840 933 S CB 0.364 63.535 63.200 -0.049 0.000 1.169 933 S HN 0.331 nan 8.310 nan 0.000 0.490 934 E N 1.259 121.468 120.200 0.015 0.000 2.452 934 E HA 0.397 4.755 4.350 0.013 0.000 0.261 934 E C -0.174 176.484 176.600 0.097 0.000 0.987 934 E CA 0.763 57.199 56.400 0.060 0.000 0.926 934 E CB -0.214 29.545 29.700 0.098 0.000 0.934 934 E HN 0.800 nan 8.360 nan 0.000 0.452 935 N N 1.498 120.284 118.700 0.144 0.000 3.046 935 N HA 0.492 5.240 4.740 0.013 0.000 0.243 935 N C 0.218 175.771 175.510 0.072 0.000 1.452 935 N CA -0.560 52.607 53.050 0.195 0.000 0.882 935 N CB 0.868 39.467 38.487 0.187 0.000 1.425 935 N HN 0.714 nan 8.380 nan 0.000 0.517 936 G N -1.381 107.418 108.800 -0.002 0.000 2.189 936 G HA2 -0.271 3.697 3.960 0.013 0.000 0.267 936 G HA3 -0.271 3.697 3.960 0.013 0.000 0.267 936 G C -0.188 174.447 174.900 -0.441 0.000 0.975 936 G CA 0.502 45.484 45.100 -0.195 0.000 0.644 936 G HN 0.717 nan 8.290 nan 0.000 0.537 937 L N -0.053 120.842 121.223 -0.546 0.000 2.483 937 L HA 0.675 5.023 4.340 0.013 0.000 0.275 937 L C 0.619 176.917 176.870 -0.954 0.000 1.220 937 L CA 0.432 54.722 54.840 -0.917 0.000 0.833 937 L CB 0.573 41.809 42.059 -1.372 0.000 1.102 937 L HN 0.254 nan 8.230 nan 0.000 0.490 938 R N 2.317 122.193 120.500 -1.040 0.000 2.515 938 R HA 0.469 4.816 4.340 0.013 0.000 0.291 938 R C -1.074 174.895 176.300 -0.552 0.000 1.046 938 R CA -0.277 55.337 56.100 -0.809 0.000 0.914 938 R CB 1.274 30.906 30.300 -1.113 0.000 1.191 938 R HN 0.740 nan 8.270 nan 0.000 0.435 939 C N 0.336 119.451 119.300 -0.309 0.000 2.352 939 C HA 0.726 5.194 4.460 0.013 0.000 0.387 939 C C 1.410 176.388 174.990 -0.020 0.000 1.294 939 C CA 0.065 58.983 59.018 -0.167 0.000 2.137 939 C CB 1.233 28.890 27.740 -0.138 0.000 2.146 939 C HN 1.030 nan 8.230 nan 0.000 0.559 940 G N 1.485 110.280 108.800 -0.008 0.000 2.321 940 G HA2 -0.196 3.772 3.960 0.013 0.000 0.287 940 G HA3 -0.196 3.772 3.960 0.013 0.000 0.287 940 G C -0.025 174.947 174.900 0.120 0.000 1.018 940 G CA 0.624 45.767 45.100 0.071 0.000 0.855 940 G HN 0.813 nan 8.290 nan 0.000 0.507 941 T N 0.169 114.674 114.554 -0.081 0.000 2.780 941 T HA 0.483 4.840 4.350 0.013 0.000 0.294 941 T C 1.379 175.814 174.700 -0.441 0.000 0.949 941 T CA -0.524 61.476 62.100 -0.166 0.000 1.074 941 T CB 1.332 70.057 68.868 -0.238 0.000 0.910 941 T HN 0.223 nan 8.240 nan 0.000 0.501 942 R N 1.613 122.065 120.500 -0.079 0.000 2.254 942 R HA 0.284 4.632 4.340 0.013 0.000 0.193 942 R C 0.577 176.914 176.300 0.062 0.000 0.929 942 R CA 0.226 56.328 56.100 0.004 0.000 1.038 942 R CB 0.324 30.745 30.300 0.201 0.000 1.009 942 R HN 0.691 nan 8.270 nan 0.000 0.512 943 E N 0.490 120.729 120.200 0.064 0.000 2.321 943 E HA 0.352 4.709 4.350 0.013 0.000 0.278 943 E C -1.834 174.890 176.600 0.206 0.000 0.902 943 E CA -0.698 55.810 56.400 0.180 0.000 0.758 943 E CB 1.537 31.317 29.700 0.134 0.000 1.213 943 E HN -0.095 nan 8.360 nan 0.000 0.426 944 L N 3.955 125.355 121.223 0.296 0.000 2.410 944 L HA 0.609 4.957 4.340 0.013 0.000 0.270 944 L C -1.849 175.204 176.870 0.304 0.000 0.983 944 L CA -0.404 54.551 54.840 0.191 0.000 0.822 944 L CB 1.826 43.851 42.059 -0.056 0.000 1.285 944 L HN 0.492 nan 8.230 nan 0.000 0.409 945 N N 4.257 123.119 118.700 0.270 0.000 2.296 945 N HA 0.444 5.192 4.740 0.013 0.000 0.294 945 N C -2.046 173.694 175.510 0.383 0.000 1.033 945 N CA -0.277 52.933 53.050 0.267 0.000 0.839 945 N CB 2.381 40.965 38.487 0.163 0.000 1.395 945 N HN 0.617 nan 8.380 nan 0.000 0.479 946 Y N 1.030 121.467 120.300 0.228 0.000 2.287 946 Y HA 0.385 4.943 4.550 0.013 0.000 0.321 946 Y C 0.539 176.537 175.900 0.163 0.000 1.173 946 Y CA 0.208 58.443 58.100 0.225 0.000 1.124 946 Y CB 0.463 39.119 38.460 0.327 0.000 1.201 946 Y HN 0.863 nan 8.280 nan 0.000 0.421 947 G N 6.507 115.153 108.800 -0.256 0.000 2.583 947 G HA2 -0.295 3.673 3.960 0.013 0.000 0.292 947 G HA3 -0.295 3.673 3.960 0.013 0.000 0.292 947 G C -1.695 173.082 174.900 -0.205 0.000 1.203 947 G CA 0.144 45.069 45.100 -0.290 0.000 0.987 947 G HN 0.624 nan 8.290 nan 0.000 0.554 948 P HA 0.162 nan 4.420 nan 0.000 0.255 948 P C 0.145 177.266 177.300 -0.297 0.000 1.248 948 P CA 0.544 63.465 63.100 -0.299 0.000 0.807 948 P CB 0.060 31.552 31.700 -0.346 0.000 1.150 949 H N 0.654 119.660 119.070 -0.107 0.000 2.505 949 H HA 0.458 5.022 4.556 0.013 0.000 0.351 949 H C 0.017 175.065 175.328 -0.466 0.000 1.151 949 H CA 0.239 56.086 56.048 -0.336 0.000 1.339 949 H CB 1.318 30.714 29.762 -0.610 0.000 1.483 949 H HN 0.121 nan 8.280 nan 0.000 0.558 950 Q N 2.143 121.621 119.800 -0.537 0.000 2.268 950 Q HA 0.203 4.551 4.340 0.013 0.000 0.266 950 Q C -1.677 174.038 176.000 -0.475 0.000 1.006 950 Q CA -0.617 54.999 55.803 -0.312 0.000 0.824 950 Q CB 2.064 30.764 28.738 -0.063 0.000 1.306 950 Q HN 0.588 nan 8.270 nan 0.000 0.424 951 W N 3.854 125.103 121.300 -0.086 0.000 2.632 951 W HA 0.584 5.252 4.660 0.013 0.000 0.328 951 W C -0.149 176.442 176.519 0.121 0.000 1.044 951 W CA -0.672 56.594 57.345 -0.131 0.000 1.225 951 W CB 1.968 31.147 29.460 -0.468 0.000 1.396 951 W HN 0.499 nan 8.180 nan 0.000 0.499 952 R N 0.731 121.451 120.500 0.367 0.000 2.750 952 R HA 0.789 5.137 4.340 0.013 0.000 0.281 952 R C 0.179 176.733 176.300 0.424 0.000 0.972 952 R CA -0.514 55.816 56.100 0.384 0.000 0.912 952 R CB 2.399 32.839 30.300 0.233 0.000 1.187 952 R HN 0.750 nan 8.270 nan 0.000 0.464 953 G N 0.725 109.763 108.800 0.398 0.000 2.534 953 G HA2 -0.032 3.936 3.960 0.013 0.000 0.142 953 G HA3 -0.032 3.936 3.960 0.013 0.000 0.142 953 G C -1.749 173.277 174.900 0.210 0.000 1.178 953 G CA -0.371 44.933 45.100 0.340 0.000 1.037 953 G HN 0.499 nan 8.290 nan 0.000 0.474 954 D N 0.174 120.697 120.400 0.205 0.000 2.472 954 D HA 0.571 5.218 4.640 0.013 0.000 0.248 954 D C -0.563 175.734 176.300 -0.005 0.000 1.271 954 D CA -0.477 53.529 54.000 0.009 0.000 0.888 954 D CB 0.053 40.885 40.800 0.054 0.000 1.337 954 D HN 0.524 nan 8.370 nan 0.000 0.526 955 F N -0.336 119.605 119.950 -0.015 0.000 2.764 955 F HA 0.773 5.308 4.527 0.013 0.000 0.347 955 F C -0.788 174.974 175.800 -0.063 0.000 1.151 955 F CA -0.952 56.981 58.000 -0.111 0.000 1.021 955 F CB 0.760 39.693 39.000 -0.112 0.000 1.438 955 F HN -0.186 nan 8.300 nan 0.000 0.516 956 Q N 1.331 121.228 119.800 0.163 0.000 2.377 956 Q HA 0.624 4.972 4.340 0.013 0.000 0.271 956 Q C -1.361 174.740 176.000 0.169 0.000 1.077 956 Q CA -0.533 55.279 55.803 0.015 0.000 0.820 956 Q CB 2.755 31.397 28.738 -0.159 0.000 1.347 956 Q HN 0.850 nan 8.270 nan 0.000 0.444 957 F N -1.126 118.722 119.950 -0.170 0.000 2.693 957 F HA 0.722 5.257 4.527 0.013 0.000 0.309 957 F C -1.703 173.890 175.800 -0.344 0.000 1.129 957 F CA -1.135 56.725 58.000 -0.234 0.000 0.948 957 F CB 1.339 40.228 39.000 -0.185 0.000 1.315 957 F HN 0.554 nan 8.300 nan 0.000 0.447 958 N N 1.964 120.440 118.700 -0.372 0.000 2.242 958 N HA 0.739 5.487 4.740 0.013 0.000 0.292 958 N C -2.104 173.311 175.510 -0.158 0.000 1.125 958 N CA -0.736 52.076 53.050 -0.396 0.000 0.783 958 N CB 2.651 40.961 38.487 -0.295 0.000 1.558 958 N HN 1.122 nan 8.380 nan 0.000 0.472 959 I N 0.544 121.022 120.570 -0.153 0.000 2.610 959 I HA 0.699 4.877 4.170 0.013 0.000 0.289 959 I C -1.320 174.708 176.117 -0.149 0.000 1.163 959 I CA -0.012 61.183 61.300 -0.175 0.000 1.044 959 I CB 1.390 39.226 38.000 -0.274 0.000 1.251 959 I HN 1.051 nan 8.210 nan 0.000 0.424 960 S N 6.256 121.884 115.700 -0.120 0.000 2.683 960 S HA 0.517 4.995 4.470 0.013 0.000 0.269 960 S C -0.250 174.246 174.600 -0.173 0.000 1.165 960 S CA -0.956 57.160 58.200 -0.140 0.000 0.840 960 S CB 1.597 64.761 63.200 -0.060 0.000 1.169 960 S HN 0.614 nan 8.310 nan 0.000 0.490 961 R N -0.249 119.978 120.500 -0.455 0.000 2.334 961 R HA 0.281 4.629 4.340 0.013 0.000 0.220 961 R C -1.000 174.988 176.300 -0.520 0.000 0.917 961 R CA 0.290 56.106 56.100 -0.473 0.000 1.073 961 R CB -0.901 29.016 30.300 -0.639 0.000 1.056 961 R HN 0.623 nan 8.270 nan 0.000 0.506 962 Y N 0.056 120.305 120.300 -0.086 0.000 2.350 962 Y HA 0.261 4.819 4.550 0.013 0.000 0.338 962 Y C 0.709 176.399 175.900 -0.349 0.000 0.961 962 Y CA -1.592 56.372 58.100 -0.227 0.000 1.100 962 Y CB 1.343 39.630 38.460 -0.288 0.000 1.179 962 Y HN -0.109 nan 8.280 nan 0.000 0.454 963 S N 1.832 117.209 115.700 -0.538 0.000 2.603 963 S HA 0.107 4.585 4.470 0.013 0.000 0.268 963 S C 0.900 175.178 174.600 -0.536 0.000 1.317 963 S CA -0.721 56.835 58.200 -1.073 0.000 1.012 963 S CB 1.198 63.431 63.200 -1.612 0.000 0.926 963 S HN 0.687 nan 8.310 nan 0.000 0.539 964 Q N 0.698 120.204 119.800 -0.489 0.000 2.170 964 Q HA -0.186 4.162 4.340 0.013 0.000 0.203 964 Q C 2.149 178.009 176.000 -0.234 0.000 0.976 964 Q CA 1.723 57.368 55.803 -0.263 0.000 0.858 964 Q CB -0.508 28.109 28.738 -0.202 0.000 0.907 964 Q HN 0.941 nan 8.270 nan 0.000 0.433 965 Q N 0.506 120.124 119.800 -0.303 0.000 2.050 965 Q HA -0.205 4.143 4.340 0.013 0.000 0.202 965 Q C 2.129 178.017 176.000 -0.188 0.000 0.980 965 Q CA 1.456 57.135 55.803 -0.206 0.000 0.840 965 Q CB 0.039 28.657 28.738 -0.200 0.000 0.898 965 Q HN 0.412 nan 8.270 nan 0.000 0.424 966 Q N 0.079 119.738 119.800 -0.235 0.000 2.084 966 Q HA -0.170 4.178 4.340 0.013 0.000 0.202 966 Q C 2.205 178.084 176.000 -0.201 0.000 0.978 966 Q CA 1.182 56.867 55.803 -0.197 0.000 0.844 966 Q CB -0.075 28.520 28.738 -0.239 0.000 0.898 966 Q HN 0.451 nan 8.270 nan 0.000 0.426 967 L N 0.549 121.645 121.223 -0.211 0.000 2.042 967 L HA -0.223 4.125 4.340 0.013 0.000 0.210 967 L C 2.697 179.438 176.870 -0.214 0.000 1.076 967 L CA 1.670 56.385 54.840 -0.209 0.000 0.749 967 L CB -0.479 41.489 42.059 -0.153 0.000 0.893 967 L HN 0.485 nan 8.230 nan 0.000 0.432 968 M N -1.900 117.599 119.600 -0.167 0.000 2.562 968 M HA -0.035 4.453 4.480 0.013 0.000 0.257 968 M C 1.216 177.441 176.300 -0.125 0.000 1.099 968 M CA 1.447 56.660 55.300 -0.145 0.000 1.099 968 M CB -0.179 32.350 32.600 -0.118 0.000 1.427 968 M HN 0.139 nan 8.290 nan 0.000 0.489 969 E N 0.852 120.979 120.200 -0.123 0.000 2.460 969 E HA 0.123 4.481 4.350 0.013 0.000 0.200 969 E C -0.285 176.270 176.600 -0.075 0.000 1.011 969 E CA 0.135 56.487 56.400 -0.080 0.000 0.912 969 E CB 0.645 30.305 29.700 -0.065 0.000 0.953 969 E HN 0.394 nan 8.360 nan 0.000 0.494 970 T N 0.705 115.182 114.554 -0.128 0.000 2.767 970 T HA 0.099 4.457 4.350 0.013 0.000 0.284 970 T C 1.157 175.772 174.700 -0.141 0.000 0.973 970 T CA -0.379 61.648 62.100 -0.121 0.000 0.996 970 T CB 1.680 70.447 68.868 -0.169 0.000 0.927 970 T HN 0.042 nan 8.240 nan 0.000 0.456 971 S N 2.247 117.957 115.700 0.015 0.000 2.425 971 S HA 0.023 4.501 4.470 0.013 0.000 0.225 971 S C 0.353 175.015 174.600 0.102 0.000 1.024 971 S CA 0.413 58.700 58.200 0.145 0.000 0.951 971 S CB -0.287 63.141 63.200 0.380 0.000 0.796 971 S HN 0.738 nan 8.310 nan 0.000 0.498 972 H N 0.832 119.939 119.070 0.062 0.000 2.572 972 H HA 0.548 5.112 4.556 0.013 0.000 0.359 972 H C 1.129 176.468 175.328 0.019 0.000 1.134 972 H CA -0.688 55.456 56.048 0.159 0.000 1.187 972 H CB 1.477 31.367 29.762 0.213 0.000 1.597 972 H HN 0.213 nan 8.280 nan 0.000 0.524 973 R N 1.868 122.495 120.500 0.211 0.000 2.127 973 R HA -0.168 4.180 4.340 0.013 0.000 0.238 973 R C 1.151 177.480 176.300 0.048 0.000 1.134 973 R CA 1.802 57.951 56.100 0.083 0.000 0.975 973 R CB -0.437 29.948 30.300 0.142 0.000 0.865 973 R HN 0.780 nan 8.270 nan 0.000 0.447 974 H N 0.968 120.048 119.070 0.018 0.000 2.559 974 H HA 0.047 4.611 4.556 0.013 0.000 0.273 974 H C 1.371 176.628 175.328 -0.118 0.000 1.000 974 H CA 0.681 56.703 56.048 -0.044 0.000 1.195 974 H CB -0.070 29.666 29.762 -0.043 0.000 1.368 974 H HN 0.329 nan 8.280 nan 0.000 0.592 975 L N 0.758 121.638 121.223 -0.573 0.000 2.585 975 L HA 0.229 4.577 4.340 0.013 0.000 0.226 975 L C 0.679 177.420 176.870 -0.215 0.000 1.113 975 L CA -0.149 54.405 54.840 -0.477 0.000 0.876 975 L CB 0.206 41.967 42.059 -0.498 0.000 1.072 975 L HN 0.053 nan 8.230 nan 0.000 0.468 976 L N 1.390 122.477 121.223 -0.226 0.000 2.426 976 L HA 0.110 4.458 4.340 0.013 0.000 0.271 976 L C 0.150 176.984 176.870 -0.060 0.000 1.169 976 L CA -0.008 54.670 54.840 -0.269 0.000 0.836 976 L CB 0.309 41.976 42.059 -0.653 0.000 1.112 976 L HN 0.208 nan 8.230 nan 0.000 0.465 977 H N 1.993 121.079 119.070 0.027 0.000 2.589 977 H HA 0.567 5.131 4.556 0.013 0.000 0.351 977 H C -0.710 174.729 175.328 0.184 0.000 1.074 977 H CA -1.241 54.860 56.048 0.090 0.000 1.203 977 H CB 1.287 31.061 29.762 0.019 0.000 1.558 977 H HN 0.666 nan 8.280 nan 0.000 0.522 978 A N 3.729 126.640 122.820 0.152 0.000 2.548 978 A HA 0.076 4.404 4.320 0.013 0.000 0.247 978 A C 0.375 177.990 177.584 0.051 0.000 1.067 978 A CA -0.097 51.907 52.037 -0.055 0.000 0.757 978 A CB -0.147 18.798 19.000 -0.091 0.000 0.996 978 A HN 0.845 nan 8.150 nan 0.000 0.504 979 E N 1.058 121.263 120.200 0.009 0.000 2.312 979 E HA 0.208 4.566 4.350 0.013 0.000 0.259 979 E C 0.074 176.726 176.600 0.087 0.000 1.122 979 E CA -0.607 55.876 56.400 0.137 0.000 0.922 979 E CB 0.778 30.628 29.700 0.250 0.000 1.109 979 E HN 0.806 nan 8.360 nan 0.000 0.442 980 E N 0.286 120.540 120.200 0.089 0.000 2.415 980 E HA 0.165 4.523 4.350 0.013 0.000 0.262 980 E C 0.402 176.986 176.600 -0.028 0.000 1.038 980 E CA 0.611 57.027 56.400 0.026 0.000 0.921 980 E CB 0.387 30.099 29.700 0.020 0.000 0.950 980 E HN 0.668 nan 8.360 nan 0.000 0.438 981 G N 2.449 111.225 108.800 -0.040 0.000 2.641 981 G HA2 -0.247 3.721 3.960 0.013 0.000 0.254 981 G HA3 -0.247 3.721 3.960 0.013 0.000 0.254 981 G C -0.577 174.277 174.900 -0.077 0.000 1.315 981 G CA -0.051 45.008 45.100 -0.068 0.000 0.907 981 G HN 0.620 nan 8.290 nan 0.000 0.572 982 T N 0.197 114.690 114.554 -0.102 0.000 2.848 982 T HA 0.500 4.857 4.350 0.013 0.000 0.285 982 T C -0.717 173.843 174.700 -0.234 0.000 0.995 982 T CA -0.156 61.889 62.100 -0.091 0.000 0.970 982 T CB 1.372 70.269 68.868 0.049 0.000 0.976 982 T HN 0.548 nan 8.240 nan 0.000 0.441 983 W N 3.203 124.419 121.300 -0.140 0.000 2.322 983 W HA 0.597 5.265 4.660 0.013 0.000 0.307 983 W C -0.271 176.121 176.519 -0.212 0.000 1.220 983 W CA -0.620 56.636 57.345 -0.148 0.000 1.210 983 W CB 0.680 30.063 29.460 -0.129 0.000 1.223 983 W HN 0.365 nan 8.180 nan 0.000 0.511 984 L N 5.235 126.431 121.223 -0.046 0.000 2.346 984 L HA 0.535 4.883 4.340 0.013 0.000 0.276 984 L C -0.951 175.817 176.870 -0.170 0.000 1.006 984 L CA -0.504 54.202 54.840 -0.224 0.000 0.817 984 L CB 1.217 42.986 42.059 -0.483 0.000 1.272 984 L HN 0.314 nan 8.230 nan 0.000 0.421 985 N N 6.479 125.063 118.700 -0.193 0.000 2.573 985 N HA 0.428 5.176 4.740 0.013 0.000 0.262 985 N C -1.262 174.111 175.510 -0.228 0.000 1.029 985 N CA -0.144 52.800 53.050 -0.177 0.000 0.882 985 N CB 1.740 40.157 38.487 -0.118 0.000 1.204 985 N HN 0.558 nan 8.380 nan 0.000 0.519 986 I N 1.842 122.216 120.570 -0.325 0.000 2.330 986 I HA 0.231 4.409 4.170 0.013 0.000 0.289 986 I C -0.415 175.524 176.117 -0.295 0.000 1.001 986 I CA -0.558 60.517 61.300 -0.375 0.000 1.193 986 I CB 1.081 38.647 38.000 -0.724 0.000 1.345 986 I HN 0.121 nan 8.210 nan 0.000 0.461 987 D N 4.692 124.961 120.400 -0.217 0.000 2.248 987 D HA 0.270 4.918 4.640 0.013 0.000 0.246 987 D C 0.891 176.918 176.300 -0.455 0.000 1.027 987 D CA -0.358 53.447 54.000 -0.324 0.000 0.853 987 D CB 2.391 43.085 40.800 -0.178 0.000 1.243 987 D HN 0.657 nan 8.370 nan 0.000 0.462 988 G N 0.585 108.837 108.800 -0.914 0.000 2.453 988 G HA2 0.058 4.026 3.960 0.013 0.000 0.215 988 G HA3 0.058 4.026 3.960 0.013 0.000 0.215 988 G C 0.025 174.204 174.900 -1.202 0.000 1.147 988 G CA 0.400 44.820 45.100 -1.135 0.000 0.802 988 G HN 0.350 nan 8.290 nan 0.000 0.535 989 F N -1.824 117.918 119.950 -0.347 0.000 2.608 989 F HA 0.582 5.117 4.527 0.013 0.000 0.309 989 F C -0.598 175.091 175.800 -0.185 0.000 1.103 989 F CA -1.230 56.642 58.000 -0.213 0.000 0.954 989 F CB 2.029 40.831 39.000 -0.330 0.000 1.267 989 F HN 0.017 nan 8.300 nan 0.000 0.444 990 H N 1.832 120.899 119.070 -0.005 0.000 2.771 990 H HA 0.558 5.122 4.556 0.013 0.000 0.361 990 H C -0.801 174.549 175.328 0.036 0.000 1.108 990 H CA -0.880 55.149 56.048 -0.032 0.000 1.201 990 H CB 1.891 31.622 29.762 -0.050 0.000 1.681 990 H HN 0.779 nan 8.280 nan 0.000 0.534 991 M N 3.157 122.735 119.600 -0.036 0.000 2.240 991 M HA 0.283 4.771 4.480 0.013 0.000 0.333 991 M C 0.491 176.908 176.300 0.195 0.000 1.110 991 M CA 0.264 55.598 55.300 0.056 0.000 1.173 991 M CB 0.387 32.932 32.600 -0.092 0.000 1.458 991 M HN 0.832 nan 8.290 nan 0.000 0.458 992 G N 2.548 111.432 108.800 0.140 0.000 2.636 992 G HA2 0.303 4.270 3.960 0.013 0.000 0.246 992 G HA3 0.303 4.270 3.960 0.013 0.000 0.246 992 G C 0.578 175.460 174.900 -0.030 0.000 1.216 992 G CA -0.444 44.674 45.100 0.031 0.000 0.854 992 G HN 0.970 nan 8.290 nan 0.000 0.572 993 I N -1.472 119.031 120.570 -0.112 0.000 3.645 993 I HA 0.394 4.572 4.170 0.013 0.000 0.300 993 I C 1.280 177.331 176.117 -0.109 0.000 1.260 993 I CA 0.444 61.642 61.300 -0.169 0.000 1.365 993 I CB -0.538 37.255 38.000 -0.344 0.000 1.077 993 I HN 0.911 nan 8.210 nan 0.000 0.439 994 G N 1.740 110.497 108.800 -0.072 0.000 2.569 994 G HA2 -0.014 3.954 3.960 0.013 0.000 0.259 994 G HA3 -0.014 3.954 3.960 0.013 0.000 0.259 994 G C 0.643 175.547 174.900 0.006 0.000 1.263 994 G CA 0.291 45.388 45.100 -0.005 0.000 0.928 994 G HN 1.413 nan 8.290 nan 0.000 0.572 995 G N -2.436 106.381 108.800 0.029 0.000 2.370 995 G HA2 -0.015 3.953 3.960 0.013 0.000 0.174 995 G HA3 -0.015 3.953 3.960 0.013 0.000 0.174 995 G C 0.672 175.629 174.900 0.095 0.000 1.002 995 G CA 0.884 46.011 45.100 0.046 0.000 0.730 995 G HN 1.019 nan 8.290 nan 0.000 0.497 996 D N 1.251 121.728 120.400 0.128 0.000 2.239 996 D HA 0.096 4.744 4.640 0.013 0.000 0.202 996 D C 0.983 177.328 176.300 0.076 0.000 0.993 996 D CA 2.169 56.306 54.000 0.228 0.000 0.874 996 D CB 0.097 41.036 40.800 0.231 0.000 0.922 996 D HN 0.848 nan 8.370 nan 0.000 0.464 997 D N -3.702 116.536 120.400 -0.270 0.000 2.671 997 D HA 0.266 4.914 4.640 0.013 0.000 0.273 997 D C -0.801 174.990 176.300 -0.847 0.000 1.264 997 D CA -0.722 52.680 54.000 -0.997 0.000 0.788 997 D CB 0.740 40.536 40.800 -1.674 0.000 1.324 997 D HN -0.294 nan 8.370 nan 0.000 0.424 998 S N -0.338 114.717 115.700 -1.075 0.000 2.601 998 S HA 0.241 4.719 4.470 0.013 0.000 0.244 998 S C -0.530 174.045 174.600 -0.042 0.000 1.001 998 S CA -0.648 57.401 58.200 -0.251 0.000 0.984 998 S CB -0.508 62.809 63.200 0.196 0.000 0.842 998 S HN 0.590 nan 8.310 nan 0.000 0.474 999 W N 1.383 122.586 121.300 -0.163 0.000 2.190 999 W HA 0.611 5.278 4.660 0.012 0.000 0.337 999 W C -0.109 176.332 176.519 -0.130 0.000 0.911 999 W CA -0.696 56.536 57.345 -0.188 0.000 1.925 999 W CB -0.557 28.739 29.460 -0.273 0.000 1.134 999 W HN 0.151 nan 8.180 nan 0.000 0.536 1000 S N -1.653 113.939 115.700 -0.179 0.000 2.586 1000 S HA 0.488 4.966 4.470 0.013 0.000 0.277 1000 S C -3.216 171.320 174.600 -0.106 0.000 1.131 1000 S CA -1.412 56.717 58.200 -0.118 0.000 0.848 1000 S CB 1.344 64.494 63.200 -0.082 0.000 1.091 1000 S HN -0.200 nan 8.310 nan 0.000 0.453 1001 P HA 0.186 nan 4.420 nan 0.000 0.261 1001 P C 0.437 177.782 177.300 0.074 0.000 1.183 1001 P CA 0.119 63.232 63.100 0.021 0.000 0.761 1001 P CB 0.563 32.163 31.700 -0.166 0.000 0.785 1002 S N 0.718 116.502 115.700 0.140 0.000 2.847 1002 S HA 0.131 4.608 4.470 0.013 0.000 0.254 1002 S C 0.183 174.866 174.600 0.139 0.000 1.039 1002 S CA -0.313 57.941 58.200 0.089 0.000 1.113 1002 S CB -0.252 62.949 63.200 0.002 0.000 1.092 1002 S HN 0.113 nan 8.310 nan 0.000 0.620 1003 V N 3.053 123.090 119.914 0.205 0.000 2.439 1003 V HA 0.351 4.479 4.120 0.013 0.000 0.271 1003 V C 0.890 177.126 176.094 0.236 0.000 1.040 1003 V CA -0.189 62.214 62.300 0.171 0.000 1.002 1003 V CB 0.752 32.611 31.823 0.061 0.000 1.000 1003 V HN 0.550 nan 8.190 nan 0.000 0.477 1004 S N 4.277 120.129 115.700 0.253 0.000 2.566 1004 S HA 0.218 4.696 4.470 0.013 0.000 0.280 1004 S C 1.573 176.310 174.600 0.230 0.000 1.343 1004 S CA 0.153 58.498 58.200 0.241 0.000 1.036 1004 S CB 1.009 64.379 63.200 0.282 0.000 0.866 1004 S HN 0.984 nan 8.310 nan 0.000 0.526 1005 A N 3.283 126.194 122.820 0.151 0.000 1.917 1005 A HA -0.143 4.184 4.320 0.013 0.000 0.219 1005 A C 1.986 179.595 177.584 0.043 0.000 1.182 1005 A CA 1.832 53.942 52.037 0.121 0.000 0.633 1005 A CB -0.757 18.294 19.000 0.084 0.000 0.819 1005 A HN 0.966 nan 8.150 nan 0.000 0.448 1006 E N -1.053 119.104 120.200 -0.072 0.000 2.463 1006 E HA -0.132 4.226 4.350 0.013 0.000 0.201 1006 E C 0.407 176.752 176.600 -0.424 0.000 1.045 1006 E CA 0.728 56.968 56.400 -0.266 0.000 0.872 1006 E CB -0.379 29.076 29.700 -0.409 0.000 0.797 1006 E HN 0.607 nan 8.360 nan 0.000 0.538 1007 F N 1.025 121.021 119.950 0.077 0.000 2.654 1007 F HA 0.314 4.849 4.527 0.013 0.000 0.303 1007 F C 0.672 176.502 175.800 0.051 0.000 1.099 1007 F CA -0.394 57.651 58.000 0.075 0.000 1.270 1007 F CB 0.497 39.542 39.000 0.075 0.000 1.024 1007 F HN -0.159 nan 8.300 nan 0.000 0.548 1008 Q N 0.875 120.771 119.800 0.160 0.000 2.230 1008 Q HA 0.450 4.798 4.340 0.013 0.000 0.253 1008 Q C -0.233 175.784 176.000 0.029 0.000 0.919 1008 Q CA -0.565 55.303 55.803 0.108 0.000 0.908 1008 Q CB 2.041 30.915 28.738 0.227 0.000 1.245 1008 Q HN 0.182 nan 8.270 nan 0.000 0.437 1009 L N 2.534 123.761 121.223 0.007 0.000 2.384 1009 L HA 0.104 4.452 4.340 0.013 0.000 0.258 1009 L C 0.622 177.461 176.870 -0.053 0.000 1.266 1009 L CA -0.016 54.824 54.840 0.000 0.000 1.162 1009 L CB -0.358 41.592 42.059 -0.181 0.000 1.375 1009 L HN 0.687 nan 8.230 nan 0.000 0.420 1010 S N -1.052 114.535 115.700 -0.188 0.000 2.578 1010 S HA 0.147 4.625 4.470 0.013 0.000 0.231 1010 S C 1.666 176.201 174.600 -0.108 0.000 0.994 1010 S CA 0.167 58.121 58.200 -0.410 0.000 0.956 1010 S CB 0.747 63.562 63.200 -0.641 0.000 0.870 1010 S HN 0.517 nan 8.310 nan 0.000 0.494 1011 A N 1.598 124.368 122.820 -0.082 0.000 2.125 1011 A HA 0.399 4.727 4.320 0.013 0.000 0.219 1011 A C 2.148 179.559 177.584 -0.289 0.000 1.156 1011 A CA 1.377 53.220 52.037 -0.323 0.000 0.671 1011 A CB -1.323 17.222 19.000 -0.759 0.000 0.794 1011 A HN 1.500 nan 8.150 nan 0.000 0.459 1012 G N -1.492 107.232 108.800 -0.125 0.000 2.498 1012 G HA2 -0.300 3.667 3.960 0.013 0.000 0.229 1012 G HA3 -0.300 3.667 3.960 0.013 0.000 0.229 1012 G C 0.451 175.323 174.900 -0.048 0.000 1.156 1012 G CA 0.471 45.557 45.100 -0.023 0.000 0.680 1012 G HN 0.704 nan 8.290 nan 0.000 0.512 1013 R N -0.487 119.857 120.500 -0.260 0.000 2.532 1013 R HA 0.644 4.992 4.340 0.013 0.000 0.297 1013 R C -1.588 174.459 176.300 -0.422 0.000 0.984 1013 R CA -0.588 55.413 56.100 -0.166 0.000 0.884 1013 R CB 1.498 31.752 30.300 -0.077 0.000 1.182 1013 R HN 0.231 nan 8.270 nan 0.000 0.442 1014 Y N 0.498 120.782 120.300 -0.026 0.000 2.446 1014 Y HA 0.368 4.926 4.550 0.013 0.000 0.345 1014 Y C -0.231 175.800 175.900 0.219 0.000 0.984 1014 Y CA -0.799 57.246 58.100 -0.091 0.000 1.058 1014 Y CB 2.066 40.302 38.460 -0.374 0.000 1.220 1014 Y HN 0.566 nan 8.280 nan 0.000 0.455 1015 H N 2.633 121.960 119.070 0.428 0.000 2.679 1015 H HA 0.619 5.183 4.556 0.013 0.000 0.360 1015 H C -1.801 173.914 175.328 0.644 0.000 1.105 1015 H CA -0.926 55.370 56.048 0.415 0.000 1.196 1015 H CB 1.234 31.136 29.762 0.233 0.000 1.636 1015 H HN 0.554 nan 8.280 nan 0.000 0.531 1016 Y N 1.844 121.917 120.300 -0.378 0.000 2.604 1016 Y HA 0.373 4.930 4.550 0.013 0.000 0.331 1016 Y C -2.099 173.616 175.900 -0.309 0.000 1.158 1016 Y CA -1.099 56.871 58.100 -0.217 0.000 1.056 1016 Y CB 1.054 39.511 38.460 -0.005 0.000 1.330 1016 Y HN 0.781 nan 8.280 nan 0.000 0.457 1017 Q N 3.354 123.124 119.800 -0.050 0.000 2.423 1017 Q HA 0.878 5.226 4.340 0.013 0.000 0.278 1017 Q C -2.034 174.039 176.000 0.122 0.000 1.097 1017 Q CA -1.159 54.614 55.803 -0.050 0.000 0.809 1017 Q CB 3.426 32.168 28.738 0.007 0.000 1.391 1017 Q HN 0.847 nan 8.270 nan 0.000 0.428 1018 L N 0.669 121.951 121.223 0.098 0.000 2.393 1018 L HA 0.718 5.066 4.340 0.013 0.000 0.260 1018 L C -1.075 175.900 176.870 0.176 0.000 1.002 1018 L CA -1.234 53.707 54.840 0.168 0.000 0.818 1018 L CB 2.702 44.842 42.059 0.135 0.000 1.369 1018 L HN 0.468 nan 8.230 nan 0.000 0.412 1019 V N 0.633 120.675 119.914 0.215 0.000 2.444 1019 V HA 0.394 4.522 4.120 0.013 0.000 0.294 1019 V C -1.318 174.929 176.094 0.254 0.000 1.022 1019 V CA -0.391 62.035 62.300 0.209 0.000 0.850 1019 V CB 1.977 33.900 31.823 0.167 0.000 0.992 1019 V HN 0.610 nan 8.190 nan 0.000 0.426 1020 W N 7.127 128.459 121.300 0.053 0.000 2.475 1020 W HA 0.731 5.399 4.660 0.013 0.000 0.317 1020 W C -0.253 176.247 176.519 -0.031 0.000 1.046 1020 W CA -1.131 56.167 57.345 -0.079 0.000 1.215 1020 W CB 1.443 30.908 29.460 0.008 0.000 1.335 1020 W HN 0.873 nan 8.180 nan 0.000 0.471 1021 C N 3.808 123.340 119.300 0.387 0.000 3.336 1021 C HA 0.712 5.179 4.460 0.013 0.000 0.339 1021 C C -0.556 174.546 174.990 0.187 0.000 1.468 1021 C CA -0.894 58.277 59.018 0.256 0.000 1.287 1021 C CB 1.565 29.401 27.740 0.161 0.000 1.682 1021 C HN 0.728 nan 8.230 nan 0.000 0.451 1022 Q N 1.204 121.072 119.800 0.114 0.000 2.235 1022 Q HA 0.747 5.094 4.340 0.013 0.000 0.256 1022 Q C -0.920 175.083 176.000 0.005 0.000 0.951 1022 Q CA -0.243 55.579 55.803 0.031 0.000 0.890 1022 Q CB 1.216 29.953 28.738 -0.003 0.000 1.279 1022 Q HN 0.721 nan 8.270 nan 0.000 0.444 1023 K N 0.000 120.379 120.400 -0.034 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.272 56.287 -0.026 0.000 0.838 1023 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543