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 1jyn_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 LILCQYAHAM 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 0.000 176.070 176.300 -0.383 0.000 0.893 13 R CA 0.000 55.956 56.100 -0.240 0.000 0.921 13 R CB 0.000 30.155 30.300 -0.241 0.000 0.687 14 R N 1.296 121.456 120.500 -0.567 0.000 3.256 14 R HA 0.164 4.513 4.340 0.014 0.000 0.263 14 R C -0.181 175.529 176.300 -0.983 0.000 1.388 14 R CA -0.378 54.970 56.100 -1.252 0.000 1.580 14 R CB 0.304 30.017 30.300 -0.979 0.000 1.255 14 R HN 0.479 nan 8.270 nan 0.000 0.640 15 D N 1.041 121.063 120.400 -0.629 0.000 2.311 15 D HA -0.181 4.467 4.640 0.014 0.000 0.212 15 D C 1.280 177.438 176.300 -0.237 0.000 0.972 15 D CA 1.110 54.833 54.000 -0.462 0.000 0.887 15 D CB 0.161 40.525 40.800 -0.726 0.000 0.915 15 D HN 0.640 nan 8.370 nan 0.000 0.497 16 W N 1.208 122.504 121.300 -0.006 0.000 3.204 16 W HA 0.198 4.866 4.660 0.013 0.000 0.249 16 W C 0.368 176.970 176.519 0.137 0.000 1.322 16 W CA -0.256 57.196 57.345 0.178 0.000 1.593 16 W CB -0.230 29.392 29.460 0.271 0.000 1.122 16 W HN -0.197 nan 8.180 nan 0.000 0.710 17 E N 1.248 121.309 120.200 -0.232 0.000 3.575 17 E HA 0.062 4.421 4.350 0.014 0.000 0.201 17 E C -0.847 175.587 176.600 -0.276 0.000 0.999 17 E CA -0.219 56.074 56.400 -0.177 0.000 1.315 17 E CB -0.190 29.388 29.700 -0.204 0.000 1.146 17 E HN 0.024 nan 8.360 nan 0.000 0.453 18 N N 1.090 119.664 118.700 -0.209 0.000 2.655 18 N HA 0.127 4.876 4.740 0.014 0.000 0.277 18 N C -2.471 172.896 175.510 -0.239 0.000 1.177 18 N CA -1.739 51.156 53.050 -0.259 0.000 0.882 18 N CB 1.542 39.886 38.487 -0.238 0.000 1.481 18 N HN -0.160 nan 8.380 nan 0.000 0.547 19 P HA 0.120 nan 4.420 nan 0.000 0.242 19 P C 1.017 178.084 177.300 -0.389 0.000 1.197 19 P CA 0.472 63.260 63.100 -0.520 0.000 0.765 19 P CB 0.147 31.097 31.700 -1.249 0.000 0.936 20 G N -0.386 108.230 108.800 -0.306 0.000 2.777 20 G HA2 0.062 4.030 3.960 0.014 0.000 0.211 20 G HA3 0.062 4.030 3.960 0.014 0.000 0.211 20 G C 0.295 175.115 174.900 -0.132 0.000 1.149 20 G CA 0.178 45.148 45.100 -0.217 0.000 0.785 20 G HN 0.190 nan 8.290 nan 0.000 0.536 21 V N 1.949 121.800 119.914 -0.105 0.000 2.304 21 V HA 0.294 4.422 4.120 0.014 0.000 0.278 21 V C 0.826 176.965 176.094 0.075 0.000 1.018 21 V CA 0.132 62.417 62.300 -0.025 0.000 0.814 21 V CB 1.040 32.824 31.823 -0.064 0.000 1.021 21 V HN 0.320 nan 8.190 nan 0.000 0.440 22 T N 0.640 115.242 114.554 0.080 0.000 3.054 22 T HA 0.389 4.747 4.350 0.014 0.000 0.255 22 T C 0.219 174.988 174.700 0.116 0.000 1.035 22 T CA -0.049 62.117 62.100 0.110 0.000 0.941 22 T CB 0.238 69.119 68.868 0.022 0.000 1.026 22 T HN 0.695 nan 8.240 nan 0.000 0.533 23 Q N 0.199 120.108 119.800 0.182 0.000 2.721 23 Q HA 0.668 5.016 4.340 0.014 0.000 0.282 23 Q C -2.256 173.884 176.000 0.233 0.000 0.932 23 Q CA -1.051 54.851 55.803 0.166 0.000 0.816 23 Q CB 0.848 29.600 28.738 0.024 0.000 1.506 23 Q HN 0.208 nan 8.270 nan 0.000 0.399 24 L N 1.745 123.131 121.223 0.272 0.000 2.470 24 L HA 0.609 4.957 4.340 0.014 0.000 0.268 24 L C -0.608 176.381 176.870 0.199 0.000 0.964 24 L CA -0.901 54.095 54.840 0.259 0.000 0.839 24 L CB 1.942 44.265 42.059 0.441 0.000 1.276 24 L HN 0.851 nan 8.230 nan 0.000 0.403 25 N N 0.974 119.759 118.700 0.142 0.000 2.741 25 N HA -0.205 4.544 4.740 0.014 0.000 0.251 25 N C 0.140 175.725 175.510 0.125 0.000 1.112 25 N CA 0.811 53.932 53.050 0.118 0.000 0.750 25 N CB -0.790 37.725 38.487 0.047 0.000 1.119 25 N HN 0.656 nan 8.380 nan 0.000 0.561 26 R N 0.896 121.403 120.500 0.012 0.000 2.441 26 R HA 0.395 4.744 4.340 0.014 0.000 0.284 26 R C 0.510 176.670 176.300 -0.235 0.000 1.070 26 R CA -0.361 55.549 56.100 -0.317 0.000 1.047 26 R CB 0.549 30.649 30.300 -0.334 0.000 1.016 26 R HN 0.128 nan 8.270 nan 0.000 0.477 27 L N 2.970 124.011 121.223 -0.304 0.000 2.453 27 L HA 0.303 4.651 4.340 0.014 0.000 0.261 27 L C 0.670 177.479 176.870 -0.101 0.000 1.179 27 L CA -0.532 54.227 54.840 -0.136 0.000 0.813 27 L CB 0.827 42.833 42.059 -0.088 0.000 1.110 27 L HN 0.773 nan 8.230 nan 0.000 0.466 28 A N 1.340 124.143 122.820 -0.029 0.000 2.466 28 A HA 0.519 4.847 4.320 0.014 0.000 0.238 28 A C 0.247 177.838 177.584 0.012 0.000 1.074 28 A CA 0.033 52.064 52.037 -0.010 0.000 0.774 28 A CB 0.224 19.241 19.000 0.027 0.000 1.015 28 A HN 0.794 nan 8.150 nan 0.000 0.498 29 A N 1.036 123.816 122.820 -0.068 0.000 2.287 29 A HA 0.747 5.075 4.320 0.014 0.000 0.273 29 A C 0.030 177.511 177.584 -0.172 0.000 1.091 29 A CA 0.347 52.260 52.037 -0.207 0.000 0.817 29 A CB 0.092 18.966 19.000 -0.210 0.000 1.069 29 A HN 1.885 nan 8.150 nan 0.000 0.492 30 H N -2.762 116.141 119.070 -0.278 0.000 2.917 30 H HA 0.620 5.184 4.556 0.014 0.000 0.299 30 H C -3.409 171.628 175.328 -0.485 0.000 1.418 30 H CA -1.759 54.063 56.048 -0.377 0.000 1.138 30 H CB 0.068 29.488 29.762 -0.570 0.000 1.830 30 H HN 0.380 nan 8.280 nan 0.000 0.514 31 P HA 0.240 nan 4.420 nan 0.000 0.274 31 P C -2.600 174.550 177.300 -0.251 0.000 1.256 31 P CA -1.463 61.440 63.100 -0.329 0.000 0.795 31 P CB -0.116 31.327 31.700 -0.428 0.000 1.038 32 P HA 0.065 nan 4.420 nan 0.000 0.264 32 P C -0.865 176.651 177.300 0.359 0.000 1.193 32 P CA 1.032 64.174 63.100 0.070 0.000 0.763 32 P CB -0.024 31.756 31.700 0.133 0.000 0.810 33 F N 1.487 121.530 119.950 0.155 0.000 2.579 33 F HA 0.635 5.170 4.527 0.014 0.000 0.324 33 F C 0.844 176.561 175.800 -0.137 0.000 1.058 33 F CA -1.512 56.525 58.000 0.063 0.000 0.944 33 F CB 1.393 40.393 39.000 0.001 0.000 1.245 33 F HN 0.285 nan 8.300 nan 0.000 0.477 34 A N 0.009 122.720 122.820 -0.182 0.000 2.653 34 A HA 0.355 4.683 4.320 0.014 0.000 0.248 34 A C 0.652 177.942 177.584 -0.490 0.000 1.211 34 A CA 0.597 52.297 52.037 -0.562 0.000 0.991 34 A CB -0.238 17.867 19.000 -1.493 0.000 1.252 34 A HN 0.852 nan 8.150 nan 0.000 0.593 35 S N 0.280 115.807 115.700 -0.289 0.000 3.559 35 S HA -0.144 4.334 4.470 0.014 0.000 0.369 35 S C -0.015 174.529 174.600 -0.094 0.000 0.987 35 S CA 0.425 58.510 58.200 -0.192 0.000 1.187 35 S CB -1.540 61.541 63.200 -0.199 0.000 0.914 35 S HN 0.499 nan 8.310 nan 0.000 0.480 36 W N 1.357 122.641 121.300 -0.027 0.000 2.181 36 W HA 0.235 4.903 4.660 0.013 0.000 0.335 36 W C 1.297 177.807 176.519 -0.015 0.000 1.310 36 W CA -0.487 56.855 57.345 -0.006 0.000 1.226 36 W CB 0.267 29.720 29.460 -0.012 0.000 1.155 36 W HN 0.296 nan 8.180 nan 0.000 0.565 37 R N 1.976 122.619 120.500 0.240 0.000 2.509 37 R HA 0.082 4.431 4.340 0.014 0.000 0.300 37 R C -0.078 176.294 176.300 0.120 0.000 0.985 37 R CA -0.115 56.069 56.100 0.139 0.000 1.092 37 R CB -0.194 30.172 30.300 0.111 0.000 1.237 37 R HN 0.355 nan 8.270 nan 0.000 0.546 38 N N 0.120 118.905 118.700 0.141 0.000 2.500 38 N HA 0.109 4.857 4.740 0.014 0.000 0.291 38 N C -0.102 175.397 175.510 -0.020 0.000 1.092 38 N CA 0.014 53.098 53.050 0.056 0.000 0.890 38 N CB 1.733 40.254 38.487 0.056 0.000 1.466 38 N HN -0.249 nan 8.380 nan 0.000 0.507 39 S N 2.329 117.996 115.700 -0.055 0.000 2.399 39 S HA -0.169 4.309 4.470 0.014 0.000 0.231 39 S C 1.416 175.865 174.600 -0.251 0.000 1.022 39 S CA 1.178 59.298 58.200 -0.133 0.000 0.983 39 S CB 0.038 63.186 63.200 -0.087 0.000 0.803 39 S HN 0.747 nan 8.310 nan 0.000 0.480 40 E N 1.537 121.610 120.200 -0.212 0.000 2.106 40 E HA -0.121 4.237 4.350 0.014 0.000 0.192 40 E C 1.873 178.281 176.600 -0.320 0.000 0.984 40 E CA 1.037 57.272 56.400 -0.275 0.000 0.806 40 E CB -0.122 29.468 29.700 -0.183 0.000 0.750 40 E HN 0.273 nan 8.360 nan 0.000 0.458 41 E N 0.256 120.297 120.200 -0.264 0.000 2.110 41 E HA -0.139 4.219 4.350 0.014 0.000 0.193 41 E C 1.999 178.117 176.600 -0.802 0.000 0.988 41 E CA 1.129 57.350 56.400 -0.298 0.000 0.804 41 E CB -0.509 29.168 29.700 -0.039 0.000 0.745 41 E HN 0.389 nan 8.360 nan 0.000 0.458 42 A N 1.616 123.753 122.820 -1.138 0.000 1.902 42 A HA -0.194 4.134 4.320 0.014 0.000 0.217 42 A C 2.243 179.187 177.584 -1.067 0.000 1.181 42 A CA 1.674 52.610 52.037 -1.836 0.000 0.623 42 A CB -0.507 17.919 19.000 -0.956 0.000 0.818 42 A HN 0.149 nan 8.150 nan 0.000 0.443 43 R N -0.132 119.948 120.500 -0.700 0.000 2.081 43 R HA -0.137 4.212 4.340 0.014 0.000 0.235 43 R C 1.920 177.935 176.300 -0.475 0.000 1.131 43 R CA 2.107 57.839 56.100 -0.613 0.000 0.960 43 R CB -0.486 29.318 30.300 -0.827 0.000 0.856 43 R HN 0.611 nan 8.270 nan 0.000 0.436 44 T N -2.807 111.496 114.554 -0.419 0.000 3.129 44 T HA 0.065 4.423 4.350 0.014 0.000 0.251 44 T C 0.263 174.860 174.700 -0.172 0.000 1.117 44 T CA 0.552 62.499 62.100 -0.254 0.000 1.034 44 T CB 0.091 68.843 68.868 -0.193 0.000 0.968 44 T HN 0.391 nan 8.240 nan 0.000 0.526 45 D N 0.443 120.696 120.400 -0.246 0.000 3.041 45 D HA -0.157 4.491 4.640 0.014 0.000 0.220 45 D C 0.157 176.569 176.300 0.186 0.000 1.157 45 D CA 0.523 54.524 54.000 0.002 0.000 0.876 45 D CB -1.049 39.803 40.800 0.086 0.000 1.107 45 D HN 0.590 nan 8.370 nan 0.000 0.422 46 R N -0.003 120.577 120.500 0.134 0.000 2.649 46 R HA 0.507 4.855 4.340 0.014 0.000 0.270 46 R C -2.155 174.416 176.300 0.452 0.000 1.105 46 R CA -1.339 54.897 56.100 0.227 0.000 1.193 46 R CB 0.115 30.486 30.300 0.119 0.000 1.120 46 R HN 0.037 nan 8.270 nan 0.000 0.561 47 P HA -0.047 nan 4.420 nan 0.000 0.267 47 P C -0.840 176.615 177.300 0.259 0.000 1.200 47 P CA 0.341 63.580 63.100 0.232 0.000 0.772 47 P CB 0.723 32.507 31.700 0.140 0.000 0.855 48 S N 1.362 117.091 115.700 0.048 0.000 2.449 48 S HA 0.144 4.622 4.470 0.014 0.000 0.310 48 S C 0.810 175.428 174.600 0.030 0.000 1.096 48 S CA -0.463 57.700 58.200 -0.062 0.000 1.095 48 S CB 0.380 63.278 63.200 -0.503 0.000 1.007 48 S HN 0.313 nan 8.310 nan 0.000 0.474 49 Q N 2.303 122.165 119.800 0.103 0.000 2.488 49 Q HA 0.008 4.356 4.340 0.014 0.000 0.211 49 Q C 1.018 177.160 176.000 0.237 0.000 0.967 49 Q CA 0.637 56.526 55.803 0.142 0.000 0.926 49 Q CB 0.143 28.969 28.738 0.146 0.000 0.992 49 Q HN 0.696 nan 8.270 nan 0.000 0.506 50 Q N -0.077 119.827 119.800 0.174 0.000 2.403 50 Q HA 0.061 4.409 4.340 0.014 0.000 0.203 50 Q C -0.110 175.977 176.000 0.144 0.000 0.932 50 Q CA 0.287 56.218 55.803 0.214 0.000 0.945 50 Q CB 0.370 29.133 28.738 0.042 0.000 1.045 50 Q HN 0.142 nan 8.270 nan 0.000 0.511 51 L N 0.639 121.923 121.223 0.102 0.000 2.372 51 L HA 0.406 4.754 4.340 0.014 0.000 0.274 51 L C -1.130 175.803 176.870 0.106 0.000 0.988 51 L CA -0.290 54.589 54.840 0.065 0.000 0.833 51 L CB 1.366 43.384 42.059 -0.069 0.000 1.236 51 L HN -0.175 nan 8.230 nan 0.000 0.410 52 R N 2.599 123.187 120.500 0.146 0.000 2.670 52 R HA 0.629 4.977 4.340 0.014 0.000 0.289 52 R C -0.787 175.544 176.300 0.053 0.000 0.965 52 R CA -0.776 55.386 56.100 0.103 0.000 0.899 52 R CB 2.174 32.548 30.300 0.123 0.000 1.173 52 R HN 0.680 nan 8.270 nan 0.000 0.456 53 S N 1.941 117.664 115.700 0.037 0.000 2.554 53 S HA 0.303 4.781 4.470 0.014 0.000 0.278 53 S C 0.577 175.196 174.600 0.031 0.000 1.242 53 S CA -0.643 57.572 58.200 0.025 0.000 1.051 53 S CB 0.580 63.801 63.200 0.035 0.000 0.986 53 S HN 0.562 nan 8.310 nan 0.000 0.502 54 L N 3.318 124.563 121.223 0.037 0.000 2.818 54 L HA 0.305 4.654 4.340 0.014 0.000 0.243 54 L C 0.180 177.223 176.870 0.288 0.000 1.185 54 L CA -0.407 54.492 54.840 0.099 0.000 0.988 54 L CB -0.417 41.677 42.059 0.058 0.000 1.292 54 L HN 0.510 nan 8.230 nan 0.000 0.519 55 N N 1.323 120.127 118.700 0.174 0.000 2.453 55 N HA 0.466 5.214 4.740 0.014 0.000 0.253 55 N C 0.668 176.312 175.510 0.224 0.000 1.252 55 N CA 1.056 54.211 53.050 0.175 0.000 0.917 55 N CB 1.178 39.704 38.487 0.066 0.000 1.117 55 N HN 0.308 nan 8.380 nan 0.000 0.442 56 G N 0.343 109.291 108.800 0.246 0.000 2.247 56 G HA2 -0.083 3.885 3.960 0.014 0.000 0.229 56 G HA3 -0.083 3.885 3.960 0.014 0.000 0.229 56 G C -1.550 173.557 174.900 0.346 0.000 1.345 56 G CA -0.808 44.428 45.100 0.227 0.000 1.100 56 G HN 0.475 nan 8.290 nan 0.000 0.473 57 E N 0.137 120.509 120.200 0.286 0.000 2.223 57 E HA 0.445 4.803 4.350 0.014 0.000 0.282 57 E C -0.891 175.960 176.600 0.419 0.000 1.046 57 E CA -0.110 56.480 56.400 0.316 0.000 0.857 57 E CB 0.962 30.766 29.700 0.174 0.000 1.055 57 E HN 0.353 nan 8.360 nan 0.000 0.409 58 W N 1.716 123.114 121.300 0.163 0.000 2.869 58 W HA 0.409 5.077 4.660 0.014 0.000 0.345 58 W C 0.237 176.892 176.519 0.226 0.000 1.191 58 W CA -0.725 56.749 57.345 0.215 0.000 1.104 58 W CB 0.773 30.421 29.460 0.314 0.000 1.471 58 W HN 0.185 nan 8.180 nan 0.000 0.612 59 R N 1.347 122.154 120.500 0.510 0.000 2.532 59 R HA 0.612 4.961 4.340 0.014 0.000 0.295 59 R C -1.543 175.023 176.300 0.444 0.000 0.968 59 R CA -0.895 55.432 56.100 0.377 0.000 0.916 59 R CB 1.599 32.058 30.300 0.265 0.000 1.124 59 R HN 0.473 nan 8.270 nan 0.000 0.463 60 F N 0.362 120.360 119.950 0.081 0.000 2.601 60 F HA 0.652 5.187 4.527 0.014 0.000 0.309 60 F C -1.599 174.033 175.800 -0.280 0.000 1.089 60 F CA -0.600 57.303 58.000 -0.163 0.000 0.940 60 F CB 2.059 40.861 39.000 -0.330 0.000 1.273 60 F HN 0.629 nan 8.300 nan 0.000 0.450 61 A N 4.024 126.025 122.820 -1.365 0.000 2.486 61 A HA 0.586 4.914 4.320 0.014 0.000 0.300 61 A C -2.453 174.085 177.584 -1.744 0.000 1.048 61 A CA -0.532 50.787 52.037 -1.196 0.000 0.696 61 A CB 0.793 19.351 19.000 -0.737 0.000 1.278 61 A HN 0.945 nan 8.150 nan 0.000 0.405 62 W N 2.485 122.857 121.300 -1.547 0.000 2.469 62 W HA 0.748 5.416 4.660 0.014 0.000 0.320 62 W C -1.823 173.991 176.519 -1.174 0.000 1.086 62 W CA -0.343 56.240 57.345 -1.269 0.000 1.211 62 W CB 1.034 30.033 29.460 -0.768 0.000 1.298 62 W HN 0.487 nan 8.180 nan 0.000 0.525 63 F N 6.305 125.471 119.950 -1.306 0.000 2.577 63 F HA 0.378 4.913 4.527 0.014 0.000 0.318 63 F C -1.220 173.658 175.800 -1.537 0.000 1.065 63 F CA -2.326 55.055 58.000 -1.031 0.000 0.929 63 F CB 1.831 40.415 39.000 -0.692 0.000 1.237 63 F HN 0.215 nan 8.300 nan 0.000 0.468 64 P HA 0.084 nan 4.420 nan 0.000 0.229 64 P C -0.332 176.839 177.300 -0.215 0.000 1.160 64 P CA 0.947 63.802 63.100 -0.409 0.000 0.777 64 P CB 0.640 32.374 31.700 0.055 0.000 0.814 65 A N -0.791 121.902 122.820 -0.212 0.000 2.601 65 A HA 0.517 4.845 4.320 0.014 0.000 0.291 65 A C -2.464 175.000 177.584 -0.200 0.000 1.075 65 A CA -0.955 51.003 52.037 -0.132 0.000 0.671 65 A CB 0.459 19.448 19.000 -0.018 0.000 1.277 65 A HN -0.289 nan 8.150 nan 0.000 0.417 66 P HA -0.059 nan 4.420 nan 0.000 0.221 66 P C 0.688 177.891 177.300 -0.162 0.000 1.150 66 P CA 1.348 64.312 63.100 -0.226 0.000 0.800 66 P CB 0.224 31.762 31.700 -0.269 0.000 0.787 67 E N 0.322 120.483 120.200 -0.065 0.000 2.333 67 E HA -0.079 4.280 4.350 0.014 0.000 0.198 67 E C 1.957 178.466 176.600 -0.152 0.000 1.007 67 E CA 1.243 57.609 56.400 -0.057 0.000 0.845 67 E CB -0.917 28.785 29.700 0.003 0.000 0.766 67 E HN 0.249 nan 8.360 nan 0.000 0.507 68 A N 0.263 122.940 122.820 -0.237 0.000 2.251 68 A HA 0.118 4.446 4.320 0.014 0.000 0.209 68 A C 0.648 177.803 177.584 -0.715 0.000 1.187 68 A CA -0.168 51.682 52.037 -0.313 0.000 0.823 68 A CB 0.313 19.220 19.000 -0.155 0.000 0.846 68 A HN 0.036 nan 8.150 nan 0.000 0.486 69 V N 3.023 122.434 119.914 -0.839 0.000 2.488 69 V HA 0.218 4.346 4.120 0.014 0.000 0.277 69 V C -2.145 173.603 176.094 -0.576 0.000 1.046 69 V CA -1.439 60.168 62.300 -1.154 0.000 0.986 69 V CB 0.823 32.107 31.823 -0.898 0.000 0.989 69 V HN 0.321 nan 8.190 nan 0.000 0.475 70 P HA 0.293 nan 4.420 nan 0.000 0.279 70 P C 0.278 177.524 177.300 -0.089 0.000 1.239 70 P CA -0.428 62.557 63.100 -0.191 0.000 0.789 70 P CB 1.370 33.011 31.700 -0.099 0.000 0.933 71 E N 1.159 121.314 120.200 -0.076 0.000 2.160 71 E HA -0.182 4.177 4.350 0.014 0.000 0.195 71 E C 1.933 178.503 176.600 -0.051 0.000 0.991 71 E CA 1.825 58.185 56.400 -0.067 0.000 0.810 71 E CB -0.686 28.975 29.700 -0.066 0.000 0.742 71 E HN 0.569 nan 8.360 nan 0.000 0.466 72 S N -0.524 115.166 115.700 -0.017 0.000 2.400 72 S HA -0.228 4.250 4.470 0.014 0.000 0.232 72 S C 1.884 176.493 174.600 0.015 0.000 1.025 72 S CA 1.040 59.237 58.200 -0.003 0.000 0.993 72 S CB -0.758 62.452 63.200 0.015 0.000 0.808 72 S HN 0.566 nan 8.310 nan 0.000 0.478 73 W N 2.205 123.416 121.300 -0.148 0.000 2.364 73 W HA 0.012 4.680 4.660 0.014 0.000 0.281 73 W C 1.628 178.047 176.519 -0.168 0.000 1.219 73 W CA 1.106 58.367 57.345 -0.140 0.000 1.220 73 W CB -0.375 28.982 29.460 -0.171 0.000 1.127 73 W HN 0.318 nan 8.180 nan 0.000 0.556 74 L N 0.102 121.077 121.223 -0.414 0.000 2.156 74 L HA -0.125 4.223 4.340 0.014 0.000 0.208 74 L C 2.255 178.898 176.870 -0.379 0.000 1.095 74 L CA 1.583 56.040 54.840 -0.638 0.000 0.770 74 L CB -0.703 41.003 42.059 -0.587 0.000 0.914 74 L HN -0.069 nan 8.230 nan 0.000 0.439 75 E N -0.757 119.308 120.200 -0.225 0.000 2.216 75 E HA -0.011 4.347 4.350 0.014 0.000 0.192 75 E C 0.229 176.758 176.600 -0.118 0.000 0.973 75 E CA 0.375 56.695 56.400 -0.134 0.000 0.851 75 E CB 0.550 30.205 29.700 -0.076 0.000 0.804 75 E HN 0.531 nan 8.360 nan 0.000 0.477 76 C N -1.003 118.231 119.300 -0.111 0.000 3.285 76 C HA 0.540 5.008 4.460 0.014 0.000 0.325 76 C C -0.514 174.462 174.990 -0.023 0.000 1.304 76 C CA -1.635 57.343 59.018 -0.067 0.000 1.319 76 C CB 0.690 28.412 27.740 -0.030 0.000 1.640 76 C HN 0.212 nan 8.230 nan 0.000 0.477 77 D N 0.810 121.213 120.400 0.006 0.000 2.571 77 D HA 0.228 4.876 4.640 0.014 0.000 0.231 77 D C -0.166 176.202 176.300 0.115 0.000 1.133 77 D CA 0.579 54.625 54.000 0.075 0.000 0.862 77 D CB 0.483 41.320 40.800 0.063 0.000 1.179 77 D HN 0.592 nan 8.370 nan 0.000 0.474 78 L N 5.888 127.221 121.223 0.184 0.000 2.331 78 L HA 0.245 4.593 4.340 0.014 0.000 0.278 78 L C -1.206 175.720 176.870 0.094 0.000 1.106 78 L CA -1.546 53.383 54.840 0.149 0.000 0.824 78 L CB 1.264 43.420 42.059 0.163 0.000 1.142 78 L HN 0.525 nan 8.230 nan 0.000 0.443 79 P HA -0.156 nan 4.420 nan 0.000 0.221 79 P C 0.848 178.174 177.300 0.043 0.000 1.150 79 P CA 0.902 64.033 63.100 0.050 0.000 0.800 79 P CB 0.097 31.821 31.700 0.039 0.000 0.787 80 E N -0.166 120.056 120.200 0.036 0.000 2.502 80 E HA 0.106 4.464 4.350 0.014 0.000 0.194 80 E C 0.567 177.168 176.600 0.001 0.000 1.062 80 E CA -0.102 56.307 56.400 0.015 0.000 0.867 80 E CB -0.514 29.183 29.700 -0.004 0.000 0.888 80 E HN 0.034 nan 8.360 nan 0.000 0.510 81 A N 1.103 123.934 122.820 0.018 0.000 2.313 81 A HA 0.247 4.575 4.320 0.014 0.000 0.261 81 A C -0.146 177.480 177.584 0.071 0.000 1.090 81 A CA -0.334 51.708 52.037 0.009 0.000 0.807 81 A CB 0.428 19.461 19.000 0.055 0.000 1.055 81 A HN 0.106 nan 8.150 nan 0.000 0.492 82 D N -0.380 120.094 120.400 0.122 0.000 2.340 82 D HA 0.488 5.136 4.640 0.014 0.000 0.243 82 D C -0.702 175.711 176.300 0.188 0.000 0.988 82 D CA 0.013 54.110 54.000 0.161 0.000 0.959 82 D CB 1.496 42.443 40.800 0.246 0.000 1.226 82 D HN 0.383 nan 8.370 nan 0.000 0.509 83 T N 0.626 115.273 114.554 0.156 0.000 2.744 83 T HA 0.475 4.834 4.350 0.014 0.000 0.291 83 T C 0.154 174.944 174.700 0.150 0.000 0.957 83 T CA -0.536 61.665 62.100 0.169 0.000 1.002 83 T CB 0.629 69.571 68.868 0.122 0.000 0.919 83 T HN 0.258 nan 8.240 nan 0.000 0.468 84 V N 1.521 121.556 119.914 0.201 0.000 3.074 84 V HA 0.811 4.939 4.120 0.014 0.000 0.314 84 V C -0.300 175.917 176.094 0.204 0.000 1.117 84 V CA -1.012 61.366 62.300 0.129 0.000 1.014 84 V CB 1.724 33.628 31.823 0.136 0.000 1.057 84 V HN 0.496 nan 8.190 nan 0.000 0.438 85 V N 1.950 121.963 119.914 0.165 0.000 2.546 85 V HA 0.529 4.657 4.120 0.014 0.000 0.284 85 V C 0.017 176.198 176.094 0.145 0.000 1.050 85 V CA -0.122 62.275 62.300 0.161 0.000 0.981 85 V CB 1.419 33.298 31.823 0.095 0.000 0.990 85 V HN 0.755 nan 8.190 nan 0.000 0.474 86 V N 7.015 126.944 119.914 0.026 0.000 2.656 86 V HA 0.470 4.599 4.120 0.014 0.000 0.307 86 V C -2.293 173.710 176.094 -0.151 0.000 1.051 86 V CA -1.788 60.391 62.300 -0.202 0.000 0.893 86 V CB 2.578 33.950 31.823 -0.752 0.000 0.999 86 V HN 0.756 nan 8.190 nan 0.000 0.426 87 P HA 0.405 nan 4.420 nan 0.000 0.275 87 P C -0.873 176.354 177.300 -0.122 0.000 1.228 87 P CA -0.084 62.904 63.100 -0.186 0.000 0.786 87 P CB 1.203 32.805 31.700 -0.162 0.000 0.927 88 S N 0.581 116.211 115.700 -0.117 0.000 2.587 88 S HA 0.438 4.916 4.470 0.014 0.000 0.269 88 S C -1.135 173.374 174.600 -0.151 0.000 1.154 88 S CA -1.025 57.079 58.200 -0.160 0.000 0.824 88 S CB 0.720 63.742 63.200 -0.297 0.000 1.118 88 S HN 0.327 nan 8.310 nan 0.000 0.462 89 N N 0.757 119.309 118.700 -0.247 0.000 2.421 89 N HA 0.446 5.194 4.740 0.014 0.000 0.285 89 N C 0.490 175.816 175.510 -0.306 0.000 1.027 89 N CA -0.839 52.040 53.050 -0.286 0.000 0.918 89 N CB 0.737 39.033 38.487 -0.318 0.000 1.152 89 N HN 0.875 nan 8.380 nan 0.000 0.485 90 W N 2.119 123.289 121.300 -0.217 0.000 2.465 90 W HA -0.014 4.655 4.660 0.014 0.000 0.268 90 W C 1.041 177.529 176.519 -0.051 0.000 1.242 90 W CA 0.524 57.745 57.345 -0.208 0.000 1.248 90 W CB -0.333 29.026 29.460 -0.169 0.000 1.118 90 W HN 0.509 nan 8.180 nan 0.000 0.587 91 Q N 0.666 120.429 119.800 -0.061 0.000 2.226 91 Q HA -0.132 4.216 4.340 0.014 0.000 0.204 91 Q C 2.175 178.114 176.000 -0.102 0.000 0.975 91 Q CA 1.950 57.719 55.803 -0.056 0.000 0.866 91 Q CB -0.553 28.032 28.738 -0.255 0.000 0.915 91 Q HN 0.302 nan 8.270 nan 0.000 0.440 92 M N -1.008 118.497 119.600 -0.158 0.000 2.476 92 M HA -0.062 4.426 4.480 0.014 0.000 0.262 92 M C 0.788 177.136 176.300 0.080 0.000 1.079 92 M CA 1.397 56.629 55.300 -0.113 0.000 1.104 92 M CB -0.563 31.955 32.600 -0.138 0.000 1.409 92 M HN 0.381 nan 8.290 nan 0.000 0.467 93 H N -0.571 118.512 119.070 0.022 0.000 2.551 93 H HA 0.255 4.820 4.556 0.014 0.000 0.271 93 H C 1.183 176.403 175.328 -0.180 0.000 0.984 93 H CA 0.067 56.110 56.048 -0.009 0.000 1.164 93 H CB 0.338 30.200 29.762 0.167 0.000 1.437 93 H HN 0.574 nan 8.280 nan 0.000 0.550 94 G N 0.673 109.473 108.800 -0.000 0.000 2.143 94 G HA2 -0.364 3.604 3.960 0.014 0.000 0.248 94 G HA3 -0.364 3.604 3.960 0.014 0.000 0.248 94 G C 0.318 175.076 174.900 -0.236 0.000 0.991 94 G CA 0.402 45.428 45.100 -0.124 0.000 0.689 94 G HN 0.484 nan 8.290 nan 0.000 0.522 95 Y N 1.326 121.625 120.300 -0.002 0.000 2.314 95 Y HA 0.266 4.824 4.550 0.014 0.000 0.293 95 Y C 1.658 177.268 175.900 -0.483 0.000 1.129 95 Y CA 1.453 59.408 58.100 -0.243 0.000 1.201 95 Y CB 0.263 38.620 38.460 -0.171 0.000 0.999 95 Y HN 0.641 nan 8.280 nan 0.000 0.541 96 D N -1.725 118.702 120.400 0.044 0.000 2.677 96 D HA 0.513 5.161 4.640 0.014 0.000 0.298 96 D C -1.161 175.204 176.300 0.108 0.000 1.250 96 D CA -0.941 53.093 54.000 0.057 0.000 0.888 96 D CB 0.844 41.797 40.800 0.255 0.000 1.397 96 D HN -0.063 nan 8.370 nan 0.000 0.461 97 A N -0.004 122.893 122.820 0.128 0.000 2.310 97 A HA 0.708 5.036 4.320 0.014 0.000 0.299 97 A C -2.351 175.251 177.584 0.030 0.000 1.147 97 A CA -1.234 50.853 52.037 0.084 0.000 0.818 97 A CB 0.189 19.311 19.000 0.202 0.000 1.096 97 A HN 0.551 nan 8.150 nan 0.000 0.495 98 P HA 0.418 nan 4.420 nan 0.000 0.278 98 P C -0.909 176.568 177.300 0.295 0.000 1.238 98 P CA 0.084 63.132 63.100 -0.086 0.000 0.794 98 P CB 0.767 32.160 31.700 -0.512 0.000 0.955 99 I N 2.500 123.336 120.570 0.442 0.000 2.406 99 I HA 0.234 4.412 4.170 0.014 0.000 0.290 99 I C -0.450 175.853 176.117 0.310 0.000 0.999 99 I CA -0.980 60.570 61.300 0.417 0.000 1.124 99 I CB 1.482 39.660 38.000 0.297 0.000 1.289 99 I HN 0.297 nan 8.210 nan 0.000 0.441 100 Y N 6.443 126.678 120.300 -0.108 0.000 2.595 100 Y HA 0.467 5.025 4.550 0.013 0.000 0.336 100 Y C -0.194 175.541 175.900 -0.274 0.000 0.996 100 Y CA -0.405 57.332 58.100 -0.604 0.000 1.260 100 Y CB 0.948 38.532 38.460 -1.461 0.000 1.108 100 Y HN 0.525 nan 8.280 nan 0.000 0.509 101 T N 5.019 119.033 114.554 -0.900 0.000 2.893 101 T HA 0.274 4.632 4.350 0.014 0.000 0.291 101 T C 0.202 174.415 174.700 -0.812 0.000 1.028 101 T CA -0.583 61.033 62.100 -0.806 0.000 0.995 101 T CB 1.171 69.811 68.868 -0.380 0.000 1.051 101 T HN 0.747 nan 8.240 nan 0.000 0.470 102 N N 2.442 120.728 118.700 -0.690 0.000 2.358 102 N HA 0.085 4.833 4.740 0.014 0.000 0.209 102 N C 1.575 176.819 175.510 -0.443 0.000 1.033 102 N CA 1.304 54.075 53.050 -0.466 0.000 1.021 102 N CB -0.617 37.607 38.487 -0.437 0.000 1.244 102 N HN 0.381 nan 8.380 nan 0.000 0.523 103 V N 0.532 120.119 119.914 -0.546 0.000 2.436 103 V HA 0.100 4.229 4.120 0.014 0.000 0.240 103 V C 0.378 176.168 176.094 -0.507 0.000 1.040 103 V CA 0.888 62.788 62.300 -0.666 0.000 1.052 103 V CB -0.708 30.613 31.823 -0.837 0.000 0.707 103 V HN 0.343 nan 8.190 nan 0.000 0.469 104 T N 1.173 115.492 114.554 -0.391 0.000 2.871 104 T HA 0.090 4.448 4.350 0.014 0.000 0.296 104 T C -0.318 174.248 174.700 -0.222 0.000 0.998 104 T CA 0.296 62.242 62.100 -0.256 0.000 1.162 104 T CB -0.288 68.461 68.868 -0.199 0.000 0.947 104 T HN 0.169 nan 8.240 nan 0.000 0.536 105 Y N 4.871 125.076 120.300 -0.157 0.000 2.652 105 Y HA 0.099 4.657 4.550 0.014 0.000 0.344 105 Y C -0.771 175.006 175.900 -0.206 0.000 1.254 105 Y CA -1.475 56.522 58.100 -0.172 0.000 1.480 105 Y CB 0.326 38.681 38.460 -0.175 0.000 1.345 105 Y HN 0.506 nan 8.280 nan 0.000 0.617 106 P HA 0.029 nan 4.420 nan 0.000 0.245 106 P C -0.360 176.722 177.300 -0.364 0.000 1.212 106 P CA 0.998 63.991 63.100 -0.177 0.000 0.774 106 P CB 0.034 31.665 31.700 -0.116 0.000 0.999 107 I N -5.226 115.116 120.570 -0.380 0.000 3.002 107 I HA 0.500 4.678 4.170 0.014 0.000 0.310 107 I C -0.500 175.488 176.117 -0.215 0.000 1.087 107 I CA -1.226 59.819 61.300 -0.424 0.000 1.017 107 I CB 1.676 39.285 38.000 -0.651 0.000 1.226 107 I HN -0.467 nan 8.210 nan 0.000 0.443 108 T N 2.835 117.300 114.554 -0.147 0.000 2.934 108 T HA 0.120 4.478 4.350 0.014 0.000 0.306 108 T C 0.180 174.860 174.700 -0.034 0.000 1.042 108 T CA -0.131 61.934 62.100 -0.059 0.000 1.145 108 T CB 0.436 69.291 68.868 -0.022 0.000 0.982 108 T HN 0.375 nan 8.240 nan 0.000 0.544 109 V N 5.231 125.141 119.914 -0.006 0.000 2.370 109 V HA 0.224 4.352 4.120 0.014 0.000 0.257 109 V C 0.680 176.824 176.094 0.084 0.000 1.064 109 V CA -0.187 62.129 62.300 0.026 0.000 0.975 109 V CB -0.135 31.692 31.823 0.007 0.000 1.067 109 V HN 0.846 nan 8.190 nan 0.000 0.485 110 N N 6.013 124.827 118.700 0.190 0.000 2.666 110 N HA 0.262 5.010 4.740 0.014 0.000 0.253 110 N C -2.908 172.695 175.510 0.156 0.000 1.621 110 N CA -1.231 51.917 53.050 0.162 0.000 0.785 110 N CB 1.496 40.105 38.487 0.205 0.000 1.332 110 N HN 0.282 nan 8.380 nan 0.000 0.514 111 P HA 0.207 nan 4.420 nan 0.000 0.268 111 P C -2.241 174.896 177.300 -0.272 0.000 1.205 111 P CA -0.725 62.034 63.100 -0.568 0.000 0.771 111 P CB 0.687 31.855 31.700 -0.886 0.000 0.858 112 P HA 0.218 nan 4.420 nan 0.000 0.266 112 P C -0.454 176.729 177.300 -0.195 0.000 1.561 112 P CA -0.311 62.579 63.100 -0.351 0.000 1.089 112 P CB 0.068 31.509 31.700 -0.431 0.000 1.534 113 F N 1.193 121.244 119.950 0.169 0.000 2.406 113 F HA 0.297 4.832 4.527 0.014 0.000 0.327 113 F C 1.403 177.376 175.800 0.288 0.000 1.153 113 F CA -0.495 57.622 58.000 0.195 0.000 1.218 113 F CB 0.535 39.597 39.000 0.103 0.000 1.215 113 F HN -0.191 nan 8.300 nan 0.000 0.570 114 V N -1.338 118.850 119.914 0.456 0.000 3.155 114 V HA 0.719 4.848 4.120 0.014 0.000 0.313 114 V C -2.787 173.466 176.094 0.265 0.000 1.162 114 V CA -2.878 59.615 62.300 0.321 0.000 1.048 114 V CB 1.337 33.403 31.823 0.406 0.000 1.092 114 V HN 0.497 nan 8.190 nan 0.000 0.447 115 P HA 0.201 nan 4.420 nan 0.000 0.267 115 P C 1.023 178.457 177.300 0.223 0.000 1.200 115 P CA 0.512 63.698 63.100 0.144 0.000 0.772 115 P CB 0.489 32.235 31.700 0.077 0.000 0.855 116 T N -0.901 113.757 114.554 0.173 0.000 2.788 116 T HA -0.120 4.238 4.350 0.014 0.000 0.268 116 T C 0.490 175.296 174.700 0.176 0.000 1.044 116 T CA 0.939 63.146 62.100 0.177 0.000 1.139 116 T CB -0.562 68.376 68.868 0.117 0.000 0.867 116 T HN 0.440 nan 8.240 nan 0.000 0.454 117 E N 2.813 123.115 120.200 0.169 0.000 1.932 117 E HA 0.252 4.610 4.350 0.014 0.000 0.275 117 E C -0.683 176.070 176.600 0.255 0.000 1.159 117 E CA -0.328 56.179 56.400 0.179 0.000 0.905 117 E CB 0.090 29.903 29.700 0.188 0.000 1.059 117 E HN 0.235 nan 8.360 nan 0.000 0.400 118 N N 4.224 123.049 118.700 0.209 0.000 2.573 118 N HA 0.228 4.976 4.740 0.014 0.000 0.262 118 N C -2.861 172.691 175.510 0.069 0.000 1.029 118 N CA -2.519 50.698 53.050 0.277 0.000 0.882 118 N CB 1.222 39.845 38.487 0.227 0.000 1.204 118 N HN 0.025 nan 8.380 nan 0.000 0.519 119 P HA 0.043 nan 4.420 nan 0.000 0.262 119 P C -0.823 176.372 177.300 -0.175 0.000 1.182 119 P CA 0.435 63.477 63.100 -0.096 0.000 0.761 119 P CB 0.454 32.403 31.700 0.415 0.000 0.795 120 T N 2.586 116.763 114.554 -0.629 0.000 2.824 120 T HA 0.575 4.933 4.350 0.014 0.000 0.282 120 T C 0.214 174.350 174.700 -0.939 0.000 0.993 120 T CA -0.572 61.215 62.100 -0.522 0.000 0.967 120 T CB 1.609 70.222 68.868 -0.426 0.000 0.960 120 T HN 0.339 nan 8.240 nan 0.000 0.441 121 G N 1.079 109.413 108.800 -0.777 0.000 2.384 121 G HA2 0.478 4.446 3.960 0.014 0.000 0.316 121 G HA3 0.478 4.446 3.960 0.014 0.000 0.316 121 G C -0.261 174.371 174.900 -0.446 0.000 1.160 121 G CA -0.360 44.179 45.100 -0.934 0.000 0.936 121 G HN 0.876 nan 8.290 nan 0.000 0.455 122 C N 3.284 122.078 119.300 -0.844 0.000 2.223 122 C HA 0.490 4.958 4.460 0.014 0.000 0.324 122 C C -0.536 174.401 174.990 -0.089 0.000 1.196 122 C CA -0.865 57.800 59.018 -0.590 0.000 1.628 122 C CB -1.680 25.265 27.740 -1.325 0.000 2.229 122 C HN 0.631 nan 8.230 nan 0.000 0.486 123 Y N 1.931 122.517 120.300 0.477 0.000 2.446 123 Y HA 0.662 5.221 4.550 0.014 0.000 0.338 123 Y C 0.737 177.120 175.900 0.805 0.000 1.055 123 Y CA -0.203 58.290 58.100 0.654 0.000 1.101 123 Y CB 1.657 40.462 38.460 0.577 0.000 1.221 123 Y HN 0.688 nan 8.280 nan 0.000 0.460 124 S N 2.067 118.293 115.700 0.877 0.000 2.607 124 S HA 0.846 5.324 4.470 0.014 0.000 0.273 124 S C -1.947 172.765 174.600 0.186 0.000 1.148 124 S CA -0.816 57.689 58.200 0.509 0.000 0.833 124 S CB 2.251 65.616 63.200 0.274 0.000 1.130 124 S HN 0.627 nan 8.310 nan 0.000 0.470 125 L N 0.623 121.770 121.223 -0.126 0.000 2.513 125 L HA 0.694 5.042 4.340 0.014 0.000 0.261 125 L C -1.041 175.768 176.870 -0.102 0.000 0.945 125 L CA 0.106 54.712 54.840 -0.390 0.000 0.848 125 L CB 2.298 43.598 42.059 -1.265 0.000 1.334 125 L HN 0.922 nan 8.230 nan 0.000 0.407 126 T N 4.941 119.459 114.554 -0.061 0.000 2.799 126 T HA 0.745 5.103 4.350 0.014 0.000 0.286 126 T C -0.734 174.009 174.700 0.072 0.000 0.973 126 T CA 0.059 62.159 62.100 0.000 0.000 1.035 126 T CB 0.493 69.337 68.868 -0.040 0.000 0.932 126 T HN 0.470 nan 8.240 nan 0.000 0.469 127 F N 1.028 120.908 119.950 -0.118 0.000 2.789 127 F HA 0.826 5.361 4.527 0.014 0.000 0.319 127 F C -1.133 174.620 175.800 -0.079 0.000 1.168 127 F CA -1.562 56.372 58.000 -0.109 0.000 0.934 127 F CB 1.153 40.080 39.000 -0.122 0.000 1.375 127 F HN 0.545 nan 8.300 nan 0.000 0.480 128 N N -0.377 118.298 118.700 -0.041 0.000 2.732 128 N HA 0.681 5.429 4.740 0.014 0.000 0.259 128 N C -1.685 173.801 175.510 -0.040 0.000 1.402 128 N CA -0.477 52.462 53.050 -0.186 0.000 0.829 128 N CB 2.143 40.518 38.487 -0.187 0.000 1.495 128 N HN 1.032 nan 8.380 nan 0.000 0.511 129 V N -3.484 116.365 119.914 -0.109 0.000 3.074 129 V HA 0.593 4.721 4.120 0.014 0.000 0.314 129 V C -0.317 175.577 176.094 -0.333 0.000 1.117 129 V CA -0.995 61.174 62.300 -0.218 0.000 1.014 129 V CB 1.752 33.580 31.823 0.009 0.000 1.057 129 V HN 0.886 nan 8.190 nan 0.000 0.438 130 D N 1.151 121.158 120.400 -0.655 0.000 2.423 130 D HA -0.038 4.611 4.640 0.014 0.000 0.238 130 D C 0.963 177.110 176.300 -0.255 0.000 1.142 130 D CA 0.453 54.155 54.000 -0.497 0.000 0.884 130 D CB 1.754 42.091 40.800 -0.771 0.000 1.199 130 D HN 0.909 nan 8.370 nan 0.000 0.438 131 E N 2.027 122.148 120.200 -0.133 0.000 2.097 131 E HA -0.247 4.111 4.350 0.014 0.000 0.196 131 E C 1.864 178.478 176.600 0.023 0.000 1.000 131 E CA 2.284 58.659 56.400 -0.041 0.000 0.804 131 E CB -0.408 29.275 29.700 -0.027 0.000 0.740 131 E HN 0.479 nan 8.360 nan 0.000 0.454 132 S N -0.999 114.724 115.700 0.038 0.000 2.442 132 S HA -0.149 4.329 4.470 0.014 0.000 0.236 132 S C 1.674 176.400 174.600 0.211 0.000 1.007 132 S CA 0.980 59.260 58.200 0.133 0.000 0.965 132 S CB -0.754 62.544 63.200 0.164 0.000 0.773 132 S HN 0.410 nan 8.310 nan 0.000 0.504 133 W N 1.501 122.672 121.300 -0.214 0.000 2.584 133 W HA 0.391 5.059 4.660 0.014 0.000 0.264 133 W C 1.917 178.384 176.519 -0.086 0.000 1.264 133 W CA -0.553 56.580 57.345 -0.353 0.000 1.306 133 W CB -0.793 28.435 29.460 -0.387 0.000 1.110 133 W HN 0.329 nan 8.180 nan 0.000 0.606 134 L N -0.389 120.945 121.223 0.184 0.000 2.270 134 L HA -0.102 4.246 4.340 0.014 0.000 0.210 134 L C 2.340 179.275 176.870 0.109 0.000 1.104 134 L CA 0.877 55.793 54.840 0.127 0.000 0.804 134 L CB -0.671 41.431 42.059 0.072 0.000 0.937 134 L HN -0.024 nan 8.230 nan 0.000 0.450 135 Q N -0.222 119.645 119.800 0.110 0.000 2.016 135 Q HA -0.028 4.320 4.340 0.014 0.000 0.200 135 Q C 0.229 176.294 176.000 0.107 0.000 0.978 135 Q CA 0.989 56.849 55.803 0.096 0.000 0.833 135 Q CB 0.289 29.080 28.738 0.088 0.000 0.895 135 Q HN 0.365 nan 8.270 nan 0.000 0.427 136 E N -2.078 118.214 120.200 0.154 0.000 2.447 136 E HA 0.469 4.828 4.350 0.014 0.000 0.279 136 E C -0.629 176.106 176.600 0.224 0.000 1.053 136 E CA 0.126 56.612 56.400 0.143 0.000 0.840 136 E CB 1.729 31.493 29.700 0.107 0.000 1.409 136 E HN 0.260 nan 8.360 nan 0.000 0.461 137 G N 0.973 109.829 108.800 0.092 0.000 2.756 137 G HA2 -0.205 3.763 3.960 0.014 0.000 0.678 137 G HA3 -0.205 3.763 3.960 0.014 0.000 0.678 137 G C -0.759 174.120 174.900 -0.036 0.000 1.349 137 G CA -0.191 44.873 45.100 -0.060 0.000 0.847 137 G HN 0.424 nan 8.290 nan 0.000 0.548 138 Q N -0.142 119.536 119.800 -0.204 0.000 2.325 138 Q HA 0.617 4.965 4.340 0.014 0.000 0.262 138 Q C -0.618 175.334 176.000 -0.078 0.000 0.968 138 Q CA -0.437 55.316 55.803 -0.083 0.000 0.877 138 Q CB 1.056 29.728 28.738 -0.109 0.000 1.253 138 Q HN 0.580 nan 8.270 nan 0.000 0.448 139 T N 5.450 120.039 114.554 0.059 0.000 2.756 139 T HA 0.438 4.796 4.350 0.014 0.000 0.290 139 T C -0.505 174.243 174.700 0.081 0.000 0.985 139 T CA -0.620 61.511 62.100 0.051 0.000 0.955 139 T CB 0.484 69.459 68.868 0.177 0.000 0.930 139 T HN 0.631 nan 8.240 nan 0.000 0.451 140 R N 2.951 123.472 120.500 0.034 0.000 2.873 140 R HA 0.786 5.134 4.340 0.014 0.000 0.264 140 R C -1.013 175.323 176.300 0.061 0.000 1.026 140 R CA -1.007 55.135 56.100 0.069 0.000 1.002 140 R CB 1.518 31.844 30.300 0.043 0.000 1.174 140 R HN 0.557 nan 8.270 nan 0.000 0.488 141 I N 1.941 122.563 120.570 0.087 0.000 2.493 141 I HA 0.455 4.633 4.170 0.014 0.000 0.298 141 I C -1.115 175.004 176.117 0.003 0.000 0.998 141 I CA -1.326 59.973 61.300 -0.001 0.000 1.137 141 I CB 1.460 39.458 38.000 -0.004 0.000 1.310 141 I HN 0.609 nan 8.210 nan 0.000 0.445 142 I N 7.171 127.647 120.570 -0.156 0.000 2.418 142 I HA 0.296 4.474 4.170 0.014 0.000 0.287 142 I C -1.299 174.634 176.117 -0.306 0.000 1.008 142 I CA -0.420 60.814 61.300 -0.109 0.000 1.104 142 I CB 1.633 39.579 38.000 -0.090 0.000 1.264 142 I HN 0.411 nan 8.210 nan 0.000 0.438 143 F N 4.592 124.532 119.950 -0.017 0.000 2.308 143 F HA 0.263 4.798 4.527 0.013 0.000 0.370 143 F C 1.318 177.018 175.800 -0.167 0.000 1.100 143 F CA -0.445 57.478 58.000 -0.129 0.000 1.108 143 F CB 0.771 39.660 39.000 -0.185 0.000 1.293 143 F HN 0.462 nan 8.300 nan 0.000 0.478 144 D N 2.377 122.696 120.400 -0.135 0.000 2.264 144 D HA 0.036 4.684 4.640 0.014 0.000 0.208 144 D C 0.991 177.127 176.300 -0.273 0.000 0.966 144 D CA 0.875 54.748 54.000 -0.211 0.000 0.864 144 D CB 0.409 41.023 40.800 -0.310 0.000 0.933 144 D HN 0.625 nan 8.370 nan 0.000 0.499 145 G N -0.348 108.244 108.800 -0.346 0.000 2.635 145 G HA2 0.431 4.399 3.960 0.014 0.000 0.295 145 G HA3 0.431 4.399 3.960 0.014 0.000 0.295 145 G C -1.470 173.208 174.900 -0.370 0.000 1.359 145 G CA -0.414 44.385 45.100 -0.503 0.000 1.232 145 G HN -0.053 nan 8.290 nan 0.000 0.597 146 V N 2.428 122.317 119.914 -0.042 0.000 2.577 146 V HA 0.547 4.675 4.120 0.014 0.000 0.303 146 V C -0.856 175.330 176.094 0.153 0.000 1.042 146 V CA -1.157 61.121 62.300 -0.037 0.000 0.872 146 V CB 2.063 33.635 31.823 -0.419 0.000 0.998 146 V HN 0.723 nan 8.190 nan 0.000 0.423 147 N N 2.390 121.158 118.700 0.114 0.000 2.446 147 N HA 0.322 5.070 4.740 0.014 0.000 0.265 147 N C 0.603 176.034 175.510 -0.132 0.000 0.975 147 N CA 0.137 53.159 53.050 -0.046 0.000 0.928 147 N CB 2.141 40.440 38.487 -0.314 0.000 1.160 147 N HN 0.671 nan 8.380 nan 0.000 0.495 148 S N 1.965 117.628 115.700 -0.061 0.000 2.505 148 S HA 0.579 5.058 4.470 0.014 0.000 0.216 148 S C 0.385 175.039 174.600 0.091 0.000 1.018 148 S CA 0.113 58.331 58.200 0.029 0.000 0.911 148 S CB 0.324 63.563 63.200 0.066 0.000 0.818 148 S HN 0.685 nan 8.310 nan 0.000 0.497 149 A N 0.794 123.677 122.820 0.104 0.000 2.608 149 A HA 0.750 5.078 4.320 0.014 0.000 0.292 149 A C -1.408 176.247 177.584 0.119 0.000 1.066 149 A CA -0.937 51.124 52.037 0.041 0.000 0.676 149 A CB 0.821 19.884 19.000 0.105 0.000 1.277 149 A HN 1.045 nan 8.150 nan 0.000 0.413 150 F N -0.740 119.003 119.950 -0.345 0.000 2.693 150 F HA 0.751 5.286 4.527 0.014 0.000 0.309 150 F C -1.148 174.513 175.800 -0.232 0.000 1.129 150 F CA -0.764 57.131 58.000 -0.175 0.000 0.948 150 F CB 1.032 39.917 39.000 -0.193 0.000 1.315 150 F HN 0.630 nan 8.300 nan 0.000 0.447 151 H N 1.789 120.993 119.070 0.222 0.000 2.492 151 H HA 0.726 5.290 4.556 0.014 0.000 0.345 151 H C -1.443 173.818 175.328 -0.110 0.000 1.136 151 H CA -0.691 55.353 56.048 -0.007 0.000 1.202 151 H CB 2.470 32.240 29.762 0.013 0.000 1.524 151 H HN 0.778 nan 8.280 nan 0.000 0.506 152 L N 3.078 124.048 121.223 -0.421 0.000 2.365 152 L HA 0.416 4.764 4.340 0.014 0.000 0.273 152 L C -1.558 175.002 176.870 -0.517 0.000 1.000 152 L CA -0.542 54.130 54.840 -0.280 0.000 0.819 152 L CB 1.423 43.179 42.059 -0.506 0.000 1.284 152 L HN 0.524 nan 8.230 nan 0.000 0.418 153 W N 4.138 125.411 121.300 -0.045 0.000 2.864 153 W HA 0.642 5.310 4.660 0.014 0.000 0.343 153 W C -1.105 175.362 176.519 -0.087 0.000 1.109 153 W CA -0.807 56.497 57.345 -0.068 0.000 1.192 153 W CB 2.060 31.518 29.460 -0.004 0.000 1.426 153 W HN 0.660 nan 8.180 nan 0.000 0.529 154 C N 3.846 123.232 119.300 0.143 0.000 2.535 154 C HA 0.316 4.784 4.460 0.014 0.000 0.319 154 C C 0.139 175.269 174.990 0.232 0.000 1.171 154 C CA -0.392 58.721 59.018 0.158 0.000 1.394 154 C CB -0.085 27.694 27.740 0.065 0.000 1.990 154 C HN 0.817 nan 8.230 nan 0.000 0.466 155 N N 3.427 122.222 118.700 0.158 0.000 2.716 155 N HA -0.189 4.559 4.740 0.014 0.000 0.250 155 N C 0.998 176.580 175.510 0.120 0.000 1.033 155 N CA 2.073 55.185 53.050 0.103 0.000 0.727 155 N CB -1.271 37.287 38.487 0.119 0.000 0.950 155 N HN 1.950 nan 8.380 nan 0.000 0.541 156 G N -1.175 107.687 108.800 0.104 0.000 2.184 156 G HA2 -0.376 3.592 3.960 0.014 0.000 0.264 156 G HA3 -0.376 3.592 3.960 0.014 0.000 0.264 156 G C 0.152 175.222 174.900 0.284 0.000 0.975 156 G CA 0.731 45.887 45.100 0.093 0.000 0.642 156 G HN 0.575 nan 8.290 nan 0.000 0.536 157 R N -1.034 119.702 120.500 0.394 0.000 2.407 157 R HA 0.426 4.774 4.340 0.014 0.000 0.303 157 R C -0.155 176.471 176.300 0.544 0.000 0.981 157 R CA -0.882 55.518 56.100 0.499 0.000 0.905 157 R CB 1.085 31.696 30.300 0.517 0.000 1.099 157 R HN 0.216 nan 8.270 nan 0.000 0.459 158 W N 3.600 125.080 121.300 0.298 0.000 2.251 158 W HA 0.062 4.730 4.660 0.014 0.000 0.327 158 W C 0.049 176.489 176.519 -0.132 0.000 1.361 158 W CA 0.110 57.335 57.345 -0.199 0.000 1.234 158 W CB 0.658 29.999 29.460 -0.198 0.000 1.212 158 W HN 0.332 nan 8.180 nan 0.000 0.557 159 V N 5.190 124.395 119.914 -1.181 0.000 2.743 159 V HA 0.550 4.678 4.120 0.014 0.000 0.237 159 V C 1.032 176.175 176.094 -1.585 0.000 1.113 159 V CA 0.984 62.563 62.300 -1.202 0.000 1.141 159 V CB -0.326 30.830 31.823 -1.111 0.000 0.873 159 V HN 0.816 nan 8.190 nan 0.000 0.486 160 G N -1.757 105.889 108.800 -1.924 0.000 2.428 160 G HA2 0.479 4.447 3.960 0.014 0.000 0.304 160 G HA3 0.479 4.447 3.960 0.014 0.000 0.304 160 G C -2.470 171.942 174.900 -0.813 0.000 1.303 160 G CA -0.297 43.984 45.100 -1.365 0.000 0.825 160 G HN 0.000 nan 8.290 nan 0.000 0.484 161 Y N -0.503 119.514 120.300 -0.471 0.000 2.562 161 Y HA 0.718 5.276 4.550 0.014 0.000 0.345 161 Y C -0.043 175.637 175.900 -0.367 0.000 1.045 161 Y CA -0.115 57.670 58.100 -0.525 0.000 1.028 161 Y CB 2.279 40.604 38.460 -0.226 0.000 1.297 161 Y HN 1.169 nan 8.280 nan 0.000 0.463 162 G N 3.682 111.656 108.800 -1.377 0.000 2.696 162 G HA2 0.594 4.563 3.960 0.014 0.000 0.295 162 G HA3 0.594 4.563 3.960 0.014 0.000 0.295 162 G C -2.082 172.361 174.900 -0.762 0.000 1.398 162 G CA -0.865 43.745 45.100 -0.817 0.000 0.920 162 G HN 0.611 nan 8.290 nan 0.000 0.492 163 Q N -0.223 119.388 119.800 -0.317 0.000 2.587 163 Q HA 0.577 4.925 4.340 0.014 0.000 0.293 163 Q C -1.429 174.577 176.000 0.009 0.000 1.083 163 Q CA -0.838 54.907 55.803 -0.096 0.000 0.792 163 Q CB 2.748 31.488 28.738 0.003 0.000 1.484 163 Q HN 0.635 nan 8.270 nan 0.000 0.446 164 D N -0.097 120.345 120.400 0.070 0.000 4.013 164 D HA -0.092 4.557 4.640 0.014 0.000 0.225 164 D C -0.508 175.859 176.300 0.111 0.000 1.196 164 D CA 0.379 54.434 54.000 0.092 0.000 0.889 164 D CB -0.584 40.253 40.800 0.061 0.000 0.572 164 D HN 0.539 nan 8.370 nan 0.000 0.258 165 S N 2.994 118.773 115.700 0.132 0.000 2.547 165 S HA -0.066 4.413 4.470 0.014 0.000 0.235 165 S C 1.584 176.323 174.600 0.231 0.000 0.980 165 S CA 0.539 58.846 58.200 0.179 0.000 0.941 165 S CB 0.253 63.520 63.200 0.111 0.000 0.763 165 S HN 0.440 nan 8.310 nan 0.000 0.532 166 R N 0.087 120.683 120.500 0.160 0.000 2.472 166 R HA 0.428 4.776 4.340 0.014 0.000 0.279 166 R C -0.279 176.082 176.300 0.101 0.000 0.953 166 R CA 0.076 56.270 56.100 0.157 0.000 1.088 166 R CB 0.178 30.599 30.300 0.202 0.000 1.197 166 R HN 0.326 nan 8.270 nan 0.000 0.536 167 L N 1.541 122.795 121.223 0.053 0.000 2.350 167 L HA 0.501 4.849 4.340 0.014 0.000 0.260 167 L C -2.381 174.469 176.870 -0.033 0.000 1.015 167 L CA -2.328 52.511 54.840 -0.001 0.000 0.821 167 L CB 2.989 45.040 42.059 -0.014 0.000 1.370 167 L HN -0.204 nan 8.230 nan 0.000 0.416 168 P HA 0.087 nan 4.420 nan 0.000 0.271 168 P C -0.962 176.308 177.300 -0.049 0.000 1.216 168 P CA -0.152 62.903 63.100 -0.075 0.000 0.776 168 P CB 1.167 32.781 31.700 -0.143 0.000 0.881 169 S N 1.964 117.704 115.700 0.066 0.000 2.478 169 S HA 0.318 4.796 4.470 0.014 0.000 0.312 169 S C -0.405 174.166 174.600 -0.048 0.000 1.094 169 S CA -0.583 57.618 58.200 0.001 0.000 1.081 169 S CB 0.904 64.275 63.200 0.284 0.000 1.007 169 S HN 0.376 nan 8.310 nan 0.000 0.475 170 E N 1.991 121.939 120.200 -0.420 0.000 2.238 170 E HA 0.596 4.954 4.350 0.014 0.000 0.267 170 E C -1.455 174.684 176.600 -0.769 0.000 0.887 170 E CA -0.591 55.609 56.400 -0.333 0.000 0.769 170 E CB 1.716 31.338 29.700 -0.129 0.000 1.187 170 E HN 0.405 nan 8.360 nan 0.000 0.416 171 F N 0.526 120.519 119.950 0.073 0.000 2.578 171 F HA 0.196 4.731 4.527 0.014 0.000 0.311 171 F C -0.167 175.647 175.800 0.023 0.000 1.094 171 F CA -1.127 56.880 58.000 0.013 0.000 0.923 171 F CB 1.640 40.615 39.000 -0.040 0.000 1.230 171 F HN 0.285 nan 8.300 nan 0.000 0.450 172 D N 2.777 123.291 120.400 0.190 0.000 2.325 172 D HA 0.239 4.887 4.640 0.014 0.000 0.251 172 D C 0.328 176.768 176.300 0.234 0.000 1.196 172 D CA 0.263 54.364 54.000 0.168 0.000 0.866 172 D CB 0.999 41.884 40.800 0.141 0.000 1.101 172 D HN 0.578 nan 8.370 nan 0.000 0.476 173 L N 2.766 124.129 121.223 0.234 0.000 2.607 173 L HA 0.013 4.361 4.340 0.014 0.000 0.228 173 L C 2.122 179.248 176.870 0.427 0.000 1.123 173 L CA -0.152 54.890 54.840 0.336 0.000 0.890 173 L CB -0.016 42.199 42.059 0.259 0.000 1.103 173 L HN 0.309 nan 8.230 nan 0.000 0.468 174 S N 1.464 117.336 115.700 0.287 0.000 2.393 174 S HA -0.328 4.150 4.470 0.014 0.000 0.234 174 S C 1.980 176.688 174.600 0.180 0.000 1.064 174 S CA 2.011 60.338 58.200 0.212 0.000 1.088 174 S CB -0.242 63.041 63.200 0.139 0.000 0.939 174 S HN 0.581 nan 8.310 nan 0.000 0.448 175 A N -0.760 122.143 122.820 0.138 0.000 2.238 175 A HA 0.342 4.670 4.320 0.014 0.000 0.208 175 A C 1.310 178.762 177.584 -0.219 0.000 1.177 175 A CA 0.310 52.301 52.037 -0.077 0.000 0.804 175 A CB -0.418 18.443 19.000 -0.233 0.000 0.823 175 A HN 0.479 nan 8.150 nan 0.000 0.482 176 F N -0.631 119.371 119.950 0.087 0.000 2.694 176 F HA 0.340 4.875 4.527 0.014 0.000 0.292 176 F C 0.732 176.583 175.800 0.084 0.000 1.121 176 F CA -0.285 57.767 58.000 0.087 0.000 1.352 176 F CB -0.015 39.050 39.000 0.107 0.000 1.107 176 F HN -0.035 nan 8.300 nan 0.000 0.597 177 L N 1.965 123.355 121.223 0.279 0.000 2.467 177 L HA 0.297 4.645 4.340 0.014 0.000 0.270 177 L C 0.402 177.323 176.870 0.085 0.000 1.205 177 L CA -0.058 54.893 54.840 0.185 0.000 0.828 177 L CB 0.497 42.677 42.059 0.201 0.000 1.101 177 L HN 0.143 nan 8.230 nan 0.000 0.479 178 R N 1.675 122.186 120.500 0.019 0.000 2.799 178 R HA 0.798 5.146 4.340 0.014 0.000 0.270 178 R C -1.120 175.154 176.300 -0.044 0.000 1.010 178 R CA -0.971 55.123 56.100 -0.009 0.000 0.916 178 R CB 1.373 31.664 30.300 -0.015 0.000 1.228 178 R HN 0.527 nan 8.270 nan 0.000 0.469 179 A N 0.976 123.775 122.820 -0.034 0.000 2.498 179 A HA 0.478 4.806 4.320 0.014 0.000 0.239 179 A C 1.091 178.631 177.584 -0.074 0.000 1.068 179 A CA 1.076 53.085 52.037 -0.046 0.000 0.766 179 A CB -0.775 18.206 19.000 -0.032 0.000 1.003 179 A HN 1.401 nan 8.150 nan 0.000 0.497 180 G N 1.276 110.022 108.800 -0.088 0.000 2.512 180 G HA2 -0.190 3.778 3.960 0.014 0.000 0.254 180 G HA3 -0.190 3.778 3.960 0.014 0.000 0.254 180 G C -0.078 174.725 174.900 -0.160 0.000 1.199 180 G CA 0.254 45.291 45.100 -0.104 0.000 0.941 180 G HN 1.024 nan 8.290 nan 0.000 0.569 181 E N 1.522 121.628 120.200 -0.156 0.000 2.316 181 E HA 0.316 4.675 4.350 0.014 0.000 0.275 181 E C 0.101 176.537 176.600 -0.272 0.000 1.029 181 E CA -0.129 56.148 56.400 -0.204 0.000 0.871 181 E CB 0.354 29.973 29.700 -0.135 0.000 1.022 181 E HN 0.412 nan 8.360 nan 0.000 0.418 182 N N 2.361 120.769 118.700 -0.485 0.000 2.328 182 N HA 0.419 5.167 4.740 0.014 0.000 0.299 182 N C -0.855 174.440 175.510 -0.357 0.000 1.179 182 N CA -0.671 52.060 53.050 -0.532 0.000 0.793 182 N CB 2.280 40.146 38.487 -1.035 0.000 1.366 182 N HN 0.312 nan 8.380 nan 0.000 0.493 183 R N 1.482 121.926 120.500 -0.094 0.000 2.538 183 R HA 0.452 4.801 4.340 0.014 0.000 0.292 183 R C -1.389 175.012 176.300 0.168 0.000 1.008 183 R CA -0.499 55.630 56.100 0.049 0.000 0.896 183 R CB 1.025 31.306 30.300 -0.032 0.000 1.187 183 R HN 0.473 nan 8.270 nan 0.000 0.440 184 L N 3.077 124.434 121.223 0.223 0.000 2.343 184 L HA 0.759 5.107 4.340 0.014 0.000 0.275 184 L C -0.242 176.718 176.870 0.150 0.000 1.056 184 L CA -0.898 54.073 54.840 0.218 0.000 0.804 184 L CB 1.903 44.087 42.059 0.208 0.000 1.203 184 L HN 0.789 nan 8.230 nan 0.000 0.440 185 A N 3.016 125.937 122.820 0.168 0.000 2.353 185 A HA 0.738 5.067 4.320 0.014 0.000 0.299 185 A C -1.105 176.797 177.584 0.530 0.000 1.089 185 A CA -0.437 51.613 52.037 0.022 0.000 0.736 185 A CB 1.547 20.069 19.000 -0.797 0.000 1.195 185 A HN 0.368 nan 8.150 nan 0.000 0.447 186 V N 3.445 123.843 119.914 0.806 0.000 2.483 186 V HA 0.442 4.570 4.120 0.014 0.000 0.297 186 V C -0.072 176.564 176.094 0.903 0.000 1.027 186 V CA -0.285 62.463 62.300 0.746 0.000 0.855 186 V CB 1.617 33.694 31.823 0.424 0.000 0.995 186 V HN 0.964 nan 8.190 nan 0.000 0.424 187 M N 5.969 126.124 119.600 0.926 0.000 2.111 187 M HA 0.497 4.985 4.480 0.014 0.000 0.351 187 M C -1.296 175.258 176.300 0.425 0.000 1.214 187 M CA -0.313 55.351 55.300 0.607 0.000 1.120 187 M CB 0.844 33.877 32.600 0.722 0.000 1.443 187 M HN 0.488 nan 8.290 nan 0.000 0.429 188 V N 6.638 126.761 119.914 0.348 0.000 2.394 188 V HA 0.386 4.514 4.120 0.014 0.000 0.282 188 V C -0.023 176.230 176.094 0.265 0.000 1.031 188 V CA -0.659 61.847 62.300 0.343 0.000 0.881 188 V CB 1.495 33.612 31.823 0.490 0.000 0.982 188 V HN 0.765 nan 8.190 nan 0.000 0.451 189 L N 5.000 126.310 121.223 0.144 0.000 2.289 189 L HA 0.515 4.863 4.340 0.014 0.000 0.285 189 L C 1.522 178.400 176.870 0.014 0.000 1.049 189 L CA -0.414 54.431 54.840 0.009 0.000 0.804 189 L CB 1.270 43.230 42.059 -0.165 0.000 1.195 189 L HN 0.645 nan 8.230 nan 0.000 0.428 190 R N 2.835 123.304 120.500 -0.052 0.000 2.070 190 R HA -0.071 4.278 4.340 0.014 0.000 0.233 190 R C -0.317 175.644 176.300 -0.564 0.000 1.137 190 R CA 1.463 57.295 56.100 -0.447 0.000 0.945 190 R CB 0.178 30.111 30.300 -0.610 0.000 0.845 190 R HN 0.556 nan 8.270 nan 0.000 0.430 191 W N 0.142 121.501 121.300 0.098 0.000 2.551 191 W HA 0.401 5.069 4.660 0.013 0.000 0.330 191 W C -0.239 176.387 176.519 0.178 0.000 1.063 191 W CA -0.763 56.650 57.345 0.113 0.000 1.222 191 W CB 1.709 31.240 29.460 0.118 0.000 1.349 191 W HN 0.050 nan 8.180 nan 0.000 0.536 192 S N -1.037 114.943 115.700 0.466 0.000 2.688 192 S HA 0.224 4.702 4.470 0.014 0.000 0.275 192 S C 0.100 174.967 174.600 0.446 0.000 1.175 192 S CA -0.464 58.029 58.200 0.488 0.000 0.818 192 S CB 1.188 64.650 63.200 0.437 0.000 1.157 192 S HN 0.610 nan 8.310 nan 0.000 0.482 193 D N 0.300 120.963 120.400 0.439 0.000 2.264 193 D HA 0.080 4.728 4.640 0.014 0.000 0.208 193 D C 1.761 178.386 176.300 0.542 0.000 0.966 193 D CA 1.113 55.419 54.000 0.509 0.000 0.864 193 D CB -0.698 40.252 40.800 0.251 0.000 0.933 193 D HN 0.686 nan 8.370 nan 0.000 0.499 194 G N 0.157 109.192 108.800 0.390 0.000 2.448 194 G HA2 -0.261 3.708 3.960 0.014 0.000 0.219 194 G HA3 -0.261 3.708 3.960 0.014 0.000 0.219 194 G C 1.705 176.803 174.900 0.329 0.000 1.127 194 G CA 0.705 46.004 45.100 0.333 0.000 0.766 194 G HN 0.313 nan 8.290 nan 0.000 0.552 195 S N -0.064 115.820 115.700 0.306 0.000 2.442 195 S HA -0.088 4.391 4.470 0.014 0.000 0.236 195 S C 1.891 176.607 174.600 0.193 0.000 1.007 195 S CA 0.681 59.032 58.200 0.251 0.000 0.965 195 S CB -0.363 62.998 63.200 0.269 0.000 0.773 195 S HN 0.527 nan 8.310 nan 0.000 0.504 196 Y N 1.167 121.616 120.300 0.248 0.000 2.421 196 Y HA 0.106 4.664 4.550 0.014 0.000 0.292 196 Y C 1.549 177.573 175.900 0.207 0.000 1.136 196 Y CA 0.632 58.809 58.100 0.127 0.000 1.255 196 Y CB -0.226 38.167 38.460 -0.111 0.000 0.991 196 Y HN 0.203 nan 8.280 nan 0.000 0.552 197 L N -0.282 121.153 121.223 0.353 0.000 2.700 197 L HA 0.150 4.499 4.340 0.014 0.000 0.234 197 L C 0.027 177.044 176.870 0.246 0.000 1.156 197 L CA 0.397 55.395 54.840 0.263 0.000 0.946 197 L CB 0.039 42.254 42.059 0.259 0.000 1.216 197 L HN 0.122 nan 8.230 nan 0.000 0.493 198 E N -0.164 120.193 120.200 0.261 0.000 3.646 198 E HA 0.036 4.394 4.350 0.014 0.000 0.211 198 E C -0.438 176.276 176.600 0.191 0.000 1.034 198 E CA -0.069 56.467 56.400 0.227 0.000 1.341 198 E CB 0.513 30.337 29.700 0.207 0.000 1.202 198 E HN 0.034 nan 8.360 nan 0.000 0.447 199 D N 1.137 121.613 120.400 0.126 0.000 2.538 199 D HA 0.025 4.673 4.640 0.014 0.000 0.234 199 D C -0.220 176.086 176.300 0.010 0.000 1.191 199 D CA -0.083 53.881 54.000 -0.060 0.000 0.828 199 D CB 0.122 40.646 40.800 -0.459 0.000 0.981 199 D HN 0.061 nan 8.370 nan 0.000 0.490 200 Q N 0.476 120.373 119.800 0.162 0.000 2.392 200 Q HA 0.098 4.446 4.340 0.014 0.000 0.262 200 Q C -0.040 176.093 176.000 0.221 0.000 1.003 200 Q CA 0.085 56.053 55.803 0.275 0.000 0.888 200 Q CB 0.584 29.642 28.738 0.534 0.000 1.260 200 Q HN 0.049 nan 8.270 nan 0.000 0.435 201 D N 3.278 123.833 120.400 0.260 0.000 2.489 201 D HA 0.124 4.772 4.640 0.014 0.000 0.237 201 D C -0.781 175.676 176.300 0.261 0.000 1.212 201 D CA 0.190 54.317 54.000 0.211 0.000 1.058 201 D CB -0.447 40.485 40.800 0.219 0.000 1.098 201 D HN 0.505 nan 8.370 nan 0.000 0.509 202 M N 0.296 120.015 119.600 0.198 0.000 2.949 202 M HA 0.384 4.873 4.480 0.014 0.000 0.270 202 M C -1.268 175.125 176.300 0.154 0.000 1.221 202 M CA -1.152 54.196 55.300 0.080 0.000 0.818 202 M CB 1.040 33.625 32.600 -0.025 0.000 1.635 202 M HN -0.111 nan 8.290 nan 0.000 0.492 203 W N 1.901 123.296 121.300 0.159 0.000 2.231 203 W HA 0.277 4.945 4.660 0.014 0.000 0.341 203 W C 0.304 176.856 176.519 0.055 0.000 1.298 203 W CA 0.078 57.515 57.345 0.152 0.000 1.266 203 W CB 0.340 29.825 29.460 0.041 0.000 1.172 203 W HN 0.310 nan 8.180 nan 0.000 0.568 204 R N 4.577 125.270 120.500 0.321 0.000 2.198 204 R HA 0.432 4.780 4.340 0.014 0.000 0.339 204 R C -0.165 176.153 176.300 0.030 0.000 1.020 204 R CA -0.286 55.915 56.100 0.169 0.000 0.864 204 R CB 0.321 30.789 30.300 0.279 0.000 1.105 204 R HN 0.551 nan 8.270 nan 0.000 0.463 205 M N 0.236 119.738 119.600 -0.163 0.000 2.792 205 M HA 0.530 5.019 4.480 0.014 0.000 0.290 205 M C 0.021 175.973 176.300 -0.580 0.000 1.155 205 M CA -0.842 54.243 55.300 -0.359 0.000 0.781 205 M CB 2.226 34.605 32.600 -0.367 0.000 1.741 205 M HN 0.634 nan 8.290 nan 0.000 0.473 206 S N -1.255 113.957 115.700 -0.814 0.000 2.611 206 S HA 0.963 5.442 4.470 0.014 0.000 0.268 206 S C -0.595 173.449 174.600 -0.927 0.000 1.156 206 S CA -0.167 57.463 58.200 -0.951 0.000 0.817 206 S CB 1.807 64.311 63.200 -1.160 0.000 1.122 206 S HN 1.469 nan 8.310 nan 0.000 0.466 207 G N -0.085 108.400 108.800 -0.525 0.000 2.331 207 G HA2 0.185 4.154 3.960 0.014 0.000 0.402 207 G HA3 0.185 4.154 3.960 0.014 0.000 0.402 207 G C -1.577 173.302 174.900 -0.034 0.000 1.275 207 G CA -0.595 44.494 45.100 -0.018 0.000 1.003 207 G HN 1.127 nan 8.290 nan 0.000 0.500 208 I N 2.069 122.493 120.570 -0.244 0.000 2.313 208 I HA 0.297 4.475 4.170 0.014 0.000 0.286 208 I C 0.985 176.965 176.117 -0.228 0.000 1.091 208 I CA -0.334 60.723 61.300 -0.405 0.000 1.216 208 I CB 0.108 37.578 38.000 -0.883 0.000 1.434 208 I HN 0.520 nan 8.210 nan 0.000 0.487 209 F N 4.529 124.320 119.950 -0.264 0.000 2.695 209 F HA 0.473 5.008 4.527 0.013 0.000 0.303 209 F C 0.608 176.326 175.800 -0.136 0.000 1.091 209 F CA -0.526 57.354 58.000 -0.200 0.000 1.300 209 F CB 0.004 38.888 39.000 -0.193 0.000 1.071 209 F HN 0.114 nan 8.300 nan 0.000 0.578 210 R N 0.399 120.455 120.500 -0.740 0.000 2.930 210 R HA 0.257 4.605 4.340 0.014 0.000 0.257 210 R C -0.656 175.438 176.300 -0.343 0.000 1.107 210 R CA -1.146 54.637 56.100 -0.528 0.000 0.999 210 R CB 0.694 30.598 30.300 -0.658 0.000 1.209 210 R HN -0.048 nan 8.270 nan 0.000 0.486 211 D N 0.594 120.843 120.400 -0.252 0.000 2.406 211 D HA 0.085 4.733 4.640 0.014 0.000 0.234 211 D C -0.510 175.652 176.300 -0.229 0.000 1.196 211 D CA 0.482 54.373 54.000 -0.183 0.000 0.881 211 D CB 0.717 41.439 40.800 -0.129 0.000 1.205 211 D HN -0.028 nan 8.370 nan 0.000 0.453 212 V N 0.966 120.758 119.914 -0.203 0.000 2.540 212 V HA 0.532 4.660 4.120 0.014 0.000 0.302 212 V C -0.042 175.933 176.094 -0.197 0.000 1.035 212 V CA -0.504 61.609 62.300 -0.312 0.000 0.873 212 V CB 1.802 33.465 31.823 -0.265 0.000 0.992 212 V HN 0.757 nan 8.190 nan 0.000 0.428 213 S N 4.559 120.117 115.700 -0.236 0.000 2.651 213 S HA 0.849 5.327 4.470 0.014 0.000 0.279 213 S C -1.229 173.305 174.600 -0.111 0.000 1.148 213 S CA -0.960 57.169 58.200 -0.120 0.000 0.837 213 S CB 1.904 65.068 63.200 -0.061 0.000 1.138 213 S HN 0.438 nan 8.310 nan 0.000 0.478 214 L N 1.220 122.439 121.223 -0.007 0.000 2.346 214 L HA 0.737 5.085 4.340 0.014 0.000 0.276 214 L C -1.423 175.505 176.870 0.097 0.000 1.006 214 L CA -0.909 53.973 54.840 0.070 0.000 0.817 214 L CB 1.743 43.944 42.059 0.236 0.000 1.272 214 L HN 0.654 nan 8.230 nan 0.000 0.421 215 L N 2.821 124.049 121.223 0.008 0.000 2.409 215 L HA 0.418 4.766 4.340 0.014 0.000 0.272 215 L C -0.939 175.802 176.870 -0.214 0.000 0.980 215 L CA -0.102 54.696 54.840 -0.069 0.000 0.826 215 L CB 1.558 43.602 42.059 -0.025 0.000 1.268 215 L HN 0.533 nan 8.230 nan 0.000 0.407 216 H N 5.524 124.256 119.070 -0.563 0.000 2.661 216 H HA 0.418 4.982 4.556 0.014 0.000 0.290 216 H C -1.067 173.998 175.328 -0.438 0.000 1.082 216 H CA -0.725 54.859 56.048 -0.773 0.000 1.234 216 H CB 0.836 29.536 29.762 -1.771 0.000 1.387 216 H HN 0.509 nan 8.280 nan 0.000 0.476 217 K N 5.032 125.082 120.400 -0.584 0.000 2.123 217 K HA 0.380 4.708 4.320 0.014 0.000 0.248 217 K C -2.561 173.724 176.600 -0.526 0.000 0.969 217 K CA -2.001 54.013 56.287 -0.456 0.000 0.882 217 K CB 1.675 34.005 32.500 -0.285 0.000 1.080 217 K HN 0.497 nan 8.250 nan 0.000 0.441 218 P HA 0.087 nan 4.420 nan 0.000 0.274 218 P C 0.658 177.843 177.300 -0.192 0.000 1.246 218 P CA -0.117 62.830 63.100 -0.255 0.000 0.795 218 P CB 0.277 31.888 31.700 -0.148 0.000 1.006 219 T N -3.061 111.414 114.554 -0.133 0.000 2.821 219 T HA -0.048 4.311 4.350 0.014 0.000 0.267 219 T C 0.711 175.356 174.700 -0.092 0.000 1.046 219 T CA 1.288 63.331 62.100 -0.095 0.000 1.139 219 T CB -1.117 67.715 68.868 -0.059 0.000 0.871 219 T HN 0.300 nan 8.240 nan 0.000 0.454 220 T N 3.404 117.907 114.554 -0.086 0.000 2.762 220 T HA 0.466 4.824 4.350 0.014 0.000 0.303 220 T C -0.276 174.366 174.700 -0.097 0.000 0.977 220 T CA -0.710 61.334 62.100 -0.094 0.000 0.961 220 T CB 0.552 69.378 68.868 -0.070 0.000 0.944 220 T HN 0.686 nan 8.240 nan 0.000 0.481 221 Q N 2.451 122.182 119.800 -0.114 0.000 2.615 221 Q HA 0.632 4.980 4.340 0.014 0.000 0.298 221 Q C -1.185 174.753 176.000 -0.103 0.000 1.023 221 Q CA -1.190 54.540 55.803 -0.122 0.000 0.768 221 Q CB 1.310 29.953 28.738 -0.157 0.000 1.500 221 Q HN 0.420 nan 8.270 nan 0.000 0.441 222 I N 2.412 122.900 120.570 -0.137 0.000 2.396 222 I HA 0.048 4.227 4.170 0.014 0.000 0.289 222 I C 0.593 176.629 176.117 -0.136 0.000 1.056 222 I CA 0.028 61.273 61.300 -0.093 0.000 1.365 222 I CB 1.176 39.078 38.000 -0.164 0.000 1.407 222 I HN 0.886 nan 8.210 nan 0.000 0.509 223 S N 2.527 118.255 115.700 0.047 0.000 2.512 223 S HA 0.251 4.730 4.470 0.014 0.000 0.216 223 S C 0.062 174.889 174.600 0.378 0.000 1.006 223 S CA -0.333 57.963 58.200 0.160 0.000 0.915 223 S CB 0.290 63.535 63.200 0.074 0.000 0.824 223 S HN 0.700 nan 8.310 nan 0.000 0.497 224 D N -0.136 120.481 120.400 0.361 0.000 2.720 224 D HA 0.502 5.151 4.640 0.014 0.000 0.239 224 D C -1.935 174.554 176.300 0.315 0.000 1.218 224 D CA -0.664 53.547 54.000 0.352 0.000 0.748 224 D CB 1.475 42.377 40.800 0.169 0.000 1.387 224 D HN 0.183 nan 8.370 nan 0.000 0.438 225 F N -0.399 119.631 119.950 0.133 0.000 2.615 225 F HA 0.621 5.157 4.527 0.014 0.000 0.312 225 F C -1.502 174.379 175.800 0.136 0.000 1.119 225 F CA -0.760 57.244 58.000 0.006 0.000 0.979 225 F CB 1.210 40.247 39.000 0.062 0.000 1.266 225 F HN 0.253 nan 8.300 nan 0.000 0.444 226 H N 1.931 121.082 119.070 0.135 0.000 2.529 226 H HA 0.745 5.309 4.556 0.014 0.000 0.348 226 H C -1.278 174.095 175.328 0.075 0.000 1.079 226 H CA -1.505 54.551 56.048 0.013 0.000 1.198 226 H CB 2.576 32.326 29.762 -0.021 0.000 1.521 226 H HN 0.614 nan 8.280 nan 0.000 0.514 227 V N 2.433 122.450 119.914 0.172 0.000 2.417 227 V HA 0.640 4.769 4.120 0.014 0.000 0.291 227 V C -0.170 175.922 176.094 -0.003 0.000 1.024 227 V CA -0.539 61.810 62.300 0.082 0.000 0.861 227 V CB 1.205 33.071 31.823 0.072 0.000 0.985 227 V HN 0.930 nan 8.190 nan 0.000 0.436 228 A N 3.457 126.255 122.820 -0.036 0.000 2.413 228 A HA 0.962 5.290 4.320 0.014 0.000 0.307 228 A C -0.126 177.373 177.584 -0.141 0.000 1.087 228 A CA -0.538 51.461 52.037 -0.064 0.000 0.750 228 A CB 1.972 20.954 19.000 -0.030 0.000 1.296 228 A HN 0.905 nan 8.150 nan 0.000 0.423 229 T N -0.137 114.319 114.554 -0.163 0.000 2.881 229 T HA 0.736 5.094 4.350 0.014 0.000 0.291 229 T C -0.528 173.972 174.700 -0.333 0.000 0.990 229 T CA -0.673 61.249 62.100 -0.296 0.000 0.976 229 T CB 1.043 69.678 68.868 -0.388 0.000 0.970 229 T HN 0.696 nan 8.240 nan 0.000 0.438 230 R N 1.764 121.980 120.500 -0.474 0.000 2.778 230 R HA 0.819 5.167 4.340 0.014 0.000 0.277 230 R C -1.173 174.687 176.300 -0.734 0.000 0.977 230 R CA -0.758 55.115 56.100 -0.378 0.000 0.950 230 R CB 1.547 31.758 30.300 -0.149 0.000 1.165 230 R HN 0.558 nan 8.270 nan 0.000 0.474 231 F N 0.259 120.192 119.950 -0.028 0.000 2.620 231 F HA 0.369 4.904 4.527 0.012 0.000 0.320 231 F C 0.484 176.141 175.800 -0.239 0.000 1.069 231 F CA -1.117 56.799 58.000 -0.140 0.000 0.953 231 F CB 1.084 39.875 39.000 -0.349 0.000 1.322 231 F HN 0.542 nan 8.300 nan 0.000 0.479 232 N N 0.023 118.696 118.700 -0.046 0.000 2.366 232 N HA 0.052 4.801 4.740 0.014 0.000 0.277 232 N C 0.508 175.879 175.510 -0.231 0.000 1.275 232 N CA -0.092 52.898 53.050 -0.101 0.000 0.964 232 N CB 0.018 38.474 38.487 -0.052 0.000 1.167 232 N HN 0.667 nan 8.380 nan 0.000 0.568 233 D N -1.431 118.882 120.400 -0.145 0.000 2.182 233 D HA -0.228 4.420 4.640 0.014 0.000 0.201 233 D C 0.235 176.456 176.300 -0.132 0.000 0.986 233 D CA 1.547 55.466 54.000 -0.136 0.000 0.847 233 D CB -0.544 40.233 40.800 -0.038 0.000 0.942 233 D HN 0.735 nan 8.370 nan 0.000 0.467 234 D N -1.785 118.576 120.400 -0.065 0.000 2.501 234 D HA 0.045 4.693 4.640 0.014 0.000 0.224 234 D C 0.076 176.525 176.300 0.248 0.000 1.202 234 D CA -1.004 53.071 54.000 0.126 0.000 0.829 234 D CB -1.010 39.862 40.800 0.120 0.000 1.023 234 D HN 0.157 nan 8.370 nan 0.000 0.499 235 F N 0.378 120.390 119.950 0.103 0.000 3.006 235 F HA -0.302 4.232 4.527 0.012 0.000 0.289 235 F C 1.706 177.591 175.800 0.141 0.000 0.772 235 F CA 0.867 58.946 58.000 0.132 0.000 1.162 235 F CB -2.457 36.532 39.000 -0.019 0.000 1.382 235 F HN 0.224 nan 8.300 nan 0.000 0.406 236 S N -1.152 114.652 115.700 0.175 0.000 2.527 236 S HA 0.266 4.744 4.470 0.014 0.000 0.222 236 S C 0.644 175.294 174.600 0.083 0.000 0.985 236 S CA 0.134 58.406 58.200 0.121 0.000 0.921 236 S CB 0.347 63.595 63.200 0.080 0.000 0.772 236 S HN 0.473 nan 8.310 nan 0.000 0.529 237 R N 0.032 120.584 120.500 0.088 0.000 2.651 237 R HA 0.791 5.139 4.340 0.014 0.000 0.278 237 R C -1.336 174.982 176.300 0.030 0.000 1.010 237 R CA -0.229 55.889 56.100 0.030 0.000 0.896 237 R CB 2.253 32.548 30.300 -0.008 0.000 1.211 237 R HN 0.245 nan 8.270 nan 0.000 0.456 238 A N 1.624 124.407 122.820 -0.062 0.000 2.515 238 A HA 0.758 5.086 4.320 0.014 0.000 0.296 238 A C -1.318 176.175 177.584 -0.151 0.000 1.094 238 A CA -0.681 51.235 52.037 -0.203 0.000 0.718 238 A CB 1.991 20.843 19.000 -0.246 0.000 1.307 238 A HN 0.345 nan 8.150 nan 0.000 0.408 239 V N 1.682 121.480 119.914 -0.194 0.000 2.444 239 V HA 0.417 4.545 4.120 0.014 0.000 0.294 239 V C -0.448 175.582 176.094 -0.107 0.000 1.022 239 V CA -0.366 61.866 62.300 -0.115 0.000 0.850 239 V CB 1.385 33.144 31.823 -0.107 0.000 0.992 239 V HN 0.791 nan 8.190 nan 0.000 0.426 240 L N 4.867 126.068 121.223 -0.036 0.000 2.265 240 L HA 0.587 4.935 4.340 0.014 0.000 0.288 240 L C 0.042 176.875 176.870 -0.061 0.000 1.058 240 L CA 0.073 54.877 54.840 -0.059 0.000 0.809 240 L CB 0.934 42.987 42.059 -0.009 0.000 1.179 240 L HN 0.804 nan 8.230 nan 0.000 0.429 241 E N 4.752 124.911 120.200 -0.068 0.000 2.165 241 E HA 0.663 5.021 4.350 0.014 0.000 0.266 241 E C -1.548 175.043 176.600 -0.016 0.000 0.889 241 E CA -0.796 55.579 56.400 -0.041 0.000 0.756 241 E CB 1.737 31.411 29.700 -0.042 0.000 1.131 241 E HN 0.710 nan 8.360 nan 0.000 0.411 242 A N 4.572 127.387 122.820 -0.008 0.000 2.335 242 A HA 0.341 4.669 4.320 0.014 0.000 0.304 242 A C -0.751 176.835 177.584 0.003 0.000 1.118 242 A CA -0.691 51.364 52.037 0.029 0.000 0.757 242 A CB 1.245 20.261 19.000 0.027 0.000 1.188 242 A HN 0.749 nan 8.150 nan 0.000 0.460 243 E N 2.325 122.522 120.200 -0.004 0.000 2.197 243 E HA 0.554 4.912 4.350 0.014 0.000 0.281 243 E C -1.311 175.238 176.600 -0.086 0.000 0.995 243 E CA -0.365 55.989 56.400 -0.077 0.000 0.808 243 E CB 1.177 30.784 29.700 -0.155 0.000 1.093 243 E HN 0.392 nan 8.360 nan 0.000 0.394 244 V N 4.626 124.513 119.914 -0.046 0.000 2.604 244 V HA 0.288 4.417 4.120 0.014 0.000 0.305 244 V C -0.445 175.703 176.094 0.090 0.000 1.043 244 V CA -0.794 61.526 62.300 0.034 0.000 0.888 244 V CB 1.778 33.604 31.823 0.005 0.000 0.995 244 V HN 0.751 nan 8.190 nan 0.000 0.429 245 Q N 3.784 123.646 119.800 0.104 0.000 2.306 245 Q HA 0.808 5.156 4.340 0.014 0.000 0.265 245 Q C -0.800 175.277 176.000 0.128 0.000 1.022 245 Q CA -0.844 55.026 55.803 0.111 0.000 0.853 245 Q CB 2.579 31.323 28.738 0.010 0.000 1.327 245 Q HN 0.814 nan 8.270 nan 0.000 0.449 246 M N -0.845 118.761 119.600 0.011 0.000 2.662 246 M HA 0.727 5.215 4.480 0.014 0.000 0.310 246 M C -1.329 174.881 176.300 -0.150 0.000 1.204 246 M CA -0.484 54.734 55.300 -0.136 0.000 0.891 246 M CB 1.543 33.865 32.600 -0.463 0.000 1.732 246 M HN 0.477 nan 8.290 nan 0.000 0.467 247 C N 0.934 120.156 119.300 -0.130 0.000 2.614 247 C HA 1.037 5.506 4.460 0.014 0.000 0.320 247 C C 0.607 175.518 174.990 -0.133 0.000 1.200 247 C CA 0.527 59.482 59.018 -0.105 0.000 1.700 247 C CB 1.020 28.724 27.740 -0.061 0.000 2.275 247 C HN 1.410 nan 8.230 nan 0.000 0.492 248 G N 1.537 110.269 108.800 -0.114 0.000 2.498 248 G HA2 -0.021 3.947 3.960 0.014 0.000 0.651 248 G HA3 -0.021 3.947 3.960 0.014 0.000 0.651 248 G C -1.013 173.807 174.900 -0.134 0.000 1.284 248 G CA -0.713 44.320 45.100 -0.112 0.000 0.950 248 G HN 0.879 nan 8.290 nan 0.000 0.511 249 E N 0.018 120.147 120.200 -0.118 0.000 2.217 249 E HA 0.335 4.693 4.350 0.014 0.000 0.279 249 E C 0.674 177.165 176.600 -0.182 0.000 1.068 249 E CA -0.302 56.025 56.400 -0.123 0.000 0.882 249 E CB 0.227 29.878 29.700 -0.082 0.000 1.039 249 E HN 0.412 nan 8.360 nan 0.000 0.418 250 L N 4.962 126.067 121.223 -0.197 0.000 2.453 250 L HA 0.186 4.535 4.340 0.014 0.000 0.272 250 L C 0.460 177.186 176.870 -0.240 0.000 1.182 250 L CA 0.251 54.945 54.840 -0.242 0.000 0.858 250 L CB 0.244 42.188 42.059 -0.192 0.000 1.120 250 L HN 0.370 nan 8.230 nan 0.000 0.474 251 R N 1.534 121.832 120.500 -0.336 0.000 2.651 251 R HA 0.183 4.531 4.340 0.014 0.000 0.278 251 R C -0.239 175.794 176.300 -0.445 0.000 1.010 251 R CA -0.802 55.011 56.100 -0.479 0.000 0.896 251 R CB 1.516 31.201 30.300 -1.025 0.000 1.211 251 R HN 0.498 nan 8.270 nan 0.000 0.456 252 D N 0.981 121.218 120.400 -0.271 0.000 2.263 252 D HA -0.147 4.501 4.640 0.014 0.000 0.208 252 D C 1.459 177.724 176.300 -0.057 0.000 0.971 252 D CA 1.537 55.470 54.000 -0.112 0.000 0.867 252 D CB 0.058 40.846 40.800 -0.021 0.000 0.929 252 D HN 0.592 nan 8.370 nan 0.000 0.492 253 Y N -0.500 119.809 120.300 0.015 0.000 2.529 253 Y HA 0.285 4.844 4.550 0.014 0.000 0.290 253 Y C 0.701 176.602 175.900 0.001 0.000 1.177 253 Y CA -0.451 57.654 58.100 0.010 0.000 1.305 253 Y CB -0.789 37.678 38.460 0.011 0.000 1.047 253 Y HN -0.189 nan 8.280 nan 0.000 0.522 254 L N 2.401 123.568 121.223 -0.093 0.000 2.436 254 L HA 0.372 4.721 4.340 0.014 0.000 0.265 254 L C 0.191 177.060 176.870 -0.002 0.000 1.168 254 L CA -0.352 54.510 54.840 0.036 0.000 0.815 254 L CB 0.623 42.706 42.059 0.040 0.000 1.109 254 L HN 0.151 nan 8.230 nan 0.000 0.462 255 R N 1.490 121.880 120.500 -0.184 0.000 2.799 255 R HA 0.707 5.055 4.340 0.014 0.000 0.270 255 R C -1.483 174.500 176.300 -0.529 0.000 1.010 255 R CA -0.815 55.038 56.100 -0.411 0.000 0.916 255 R CB 2.131 32.076 30.300 -0.592 0.000 1.228 255 R HN 0.266 nan 8.270 nan 0.000 0.469 256 V N 0.605 120.238 119.914 -0.468 0.000 2.656 256 V HA 0.530 4.658 4.120 0.014 0.000 0.307 256 V C -0.338 175.711 176.094 -0.075 0.000 1.051 256 V CA -0.572 61.555 62.300 -0.289 0.000 0.893 256 V CB 2.368 33.945 31.823 -0.410 0.000 0.999 256 V HN 0.719 nan 8.190 nan 0.000 0.426 257 T N 3.505 118.124 114.554 0.108 0.000 2.824 257 T HA 0.619 4.978 4.350 0.014 0.000 0.282 257 T C -0.758 173.949 174.700 0.010 0.000 0.993 257 T CA -0.337 61.818 62.100 0.092 0.000 0.967 257 T CB 1.704 70.647 68.868 0.125 0.000 0.960 257 T HN 0.351 nan 8.240 nan 0.000 0.441 258 V N 3.187 123.086 119.914 -0.024 0.000 2.448 258 V HA 0.617 4.745 4.120 0.014 0.000 0.295 258 V C -0.149 175.934 176.094 -0.018 0.000 1.025 258 V CA -0.565 61.717 62.300 -0.030 0.000 0.859 258 V CB 1.933 33.728 31.823 -0.046 0.000 0.988 258 V HN 0.944 nan 8.190 nan 0.000 0.431 259 S N 4.521 120.235 115.700 0.022 0.000 2.536 259 S HA 0.764 5.243 4.470 0.014 0.000 0.298 259 S C -0.930 173.687 174.600 0.027 0.000 1.083 259 S CA -0.490 57.697 58.200 -0.023 0.000 0.995 259 S CB 1.889 65.102 63.200 0.021 0.000 1.058 259 S HN 0.570 nan 8.310 nan 0.000 0.488 260 L N 2.709 123.856 121.223 -0.127 0.000 2.333 260 L HA 0.714 5.063 4.340 0.014 0.000 0.280 260 L C -2.017 174.788 176.870 -0.107 0.000 1.004 260 L CA -0.145 54.711 54.840 0.026 0.000 0.820 260 L CB 0.688 42.776 42.059 0.048 0.000 1.247 260 L HN 0.715 nan 8.230 nan 0.000 0.416 261 W N 3.642 125.047 121.300 0.175 0.000 2.666 261 W HA 0.565 5.233 4.660 0.014 0.000 0.334 261 W C -0.467 176.175 176.519 0.205 0.000 1.051 261 W CA -0.442 56.992 57.345 0.149 0.000 1.224 261 W CB 1.392 30.886 29.460 0.058 0.000 1.405 261 W HN 0.423 nan 8.180 nan 0.000 0.513 262 Q N 2.783 122.777 119.800 0.323 0.000 2.462 262 Q HA 0.481 4.830 4.340 0.014 0.000 0.247 262 Q C 0.795 176.846 176.000 0.085 0.000 1.044 262 Q CA 0.526 56.360 55.803 0.051 0.000 0.803 262 Q CB 0.444 29.186 28.738 0.007 0.000 1.190 262 Q HN 0.779 nan 8.270 nan 0.000 0.507 263 G N 3.181 112.019 108.800 0.063 0.000 2.583 263 G HA2 -0.370 3.598 3.960 0.014 0.000 0.292 263 G HA3 -0.370 3.598 3.960 0.014 0.000 0.292 263 G C 0.256 175.242 174.900 0.143 0.000 1.203 263 G CA 0.395 45.530 45.100 0.058 0.000 0.987 263 G HN 0.723 nan 8.290 nan 0.000 0.554 264 E N 0.686 120.961 120.200 0.126 0.000 2.465 264 E HA 0.231 4.589 4.350 0.014 0.000 0.191 264 E C 0.251 177.059 176.600 0.348 0.000 1.053 264 E CA 0.499 57.002 56.400 0.172 0.000 0.869 264 E CB 0.266 30.010 29.700 0.073 0.000 0.977 264 E HN 0.294 nan 8.360 nan 0.000 0.483 265 T N 1.183 115.930 114.554 0.322 0.000 2.794 265 T HA 0.128 4.486 4.350 0.014 0.000 0.280 265 T C -0.412 174.331 174.700 0.071 0.000 0.987 265 T CA -0.524 61.700 62.100 0.206 0.000 0.993 265 T CB 1.738 70.657 68.868 0.086 0.000 0.939 265 T HN 0.028 nan 8.240 nan 0.000 0.449 266 Q N 2.762 122.340 119.800 -0.369 0.000 2.295 266 Q HA 0.301 4.649 4.340 0.014 0.000 0.259 266 Q C 0.926 176.671 176.000 -0.426 0.000 0.976 266 Q CA -0.435 54.804 55.803 -0.940 0.000 0.923 266 Q CB 0.701 28.637 28.738 -1.337 0.000 1.185 266 Q HN 0.679 nan 8.270 nan 0.000 0.410 267 V N 0.920 120.652 119.914 -0.303 0.000 3.431 267 V HA 0.601 4.730 4.120 0.014 0.000 0.253 267 V C 0.294 176.297 176.094 -0.152 0.000 1.184 267 V CA 0.678 62.894 62.300 -0.141 0.000 1.104 267 V CB 0.098 31.917 31.823 -0.006 0.000 0.799 267 V HN 0.647 nan 8.190 nan 0.000 0.462 268 A N -0.850 121.852 122.820 -0.196 0.000 2.610 268 A HA 0.842 5.171 4.320 0.014 0.000 0.291 268 A C -0.675 176.807 177.584 -0.169 0.000 1.086 268 A CA 0.198 52.146 52.037 -0.149 0.000 0.677 268 A CB 1.654 20.595 19.000 -0.099 0.000 1.278 268 A HN 0.615 nan 8.150 nan 0.000 0.414 269 S N -1.266 114.360 115.700 -0.124 0.000 2.552 269 S HA 0.772 5.250 4.470 0.014 0.000 0.272 269 S C -0.676 173.881 174.600 -0.071 0.000 1.150 269 S CA 0.178 58.314 58.200 -0.107 0.000 0.849 269 S CB 1.692 64.816 63.200 -0.125 0.000 1.113 269 S HN 2.280 nan 8.310 nan 0.000 0.458 270 G N 1.433 110.200 108.800 -0.054 0.000 2.701 270 G HA2 0.641 4.609 3.960 0.014 0.000 0.300 270 G HA3 0.641 4.609 3.960 0.014 0.000 0.300 270 G C -1.389 173.491 174.900 -0.033 0.000 1.410 270 G CA -0.357 44.715 45.100 -0.046 0.000 1.014 270 G HN 0.677 nan 8.290 nan 0.000 0.509 271 T N -0.021 114.518 114.554 -0.025 0.000 2.893 271 T HA 0.850 5.208 4.350 0.014 0.000 0.293 271 T C -0.323 174.348 174.700 -0.049 0.000 1.027 271 T CA -0.015 62.080 62.100 -0.007 0.000 0.988 271 T CB 1.821 70.719 68.868 0.051 0.000 1.043 271 T HN 1.494 nan 8.240 nan 0.000 0.461 272 A N 3.511 126.269 122.820 -0.102 0.000 2.612 272 A HA 0.922 5.250 4.320 0.014 0.000 0.293 272 A C -3.104 174.360 177.584 -0.199 0.000 1.075 272 A CA -1.546 50.416 52.037 -0.125 0.000 0.680 272 A CB 1.232 20.158 19.000 -0.123 0.000 1.279 272 A HN 0.531 nan 8.150 nan 0.000 0.411 273 P HA 0.562 nan 4.420 nan 0.000 0.278 273 P C -0.624 176.573 177.300 -0.171 0.000 1.266 273 P CA -0.314 62.708 63.100 -0.130 0.000 0.807 273 P CB 0.336 32.016 31.700 -0.034 0.000 1.094 274 F N -0.283 119.626 119.950 -0.068 0.000 2.444 274 F HA 0.485 5.021 4.527 0.014 0.000 0.331 274 F C 1.431 177.211 175.800 -0.032 0.000 1.167 274 F CA 1.478 59.448 58.000 -0.050 0.000 1.262 274 F CB 0.218 39.182 39.000 -0.060 0.000 1.196 274 F HN 0.572 nan 8.300 nan 0.000 0.583 275 G N 1.493 110.407 108.800 0.190 0.000 2.781 275 G HA2 0.355 4.324 3.960 0.014 0.000 0.468 275 G HA3 0.355 4.324 3.960 0.014 0.000 0.468 275 G C -0.435 174.513 174.900 0.079 0.000 1.186 275 G CA -0.720 44.449 45.100 0.115 0.000 1.220 275 G HN 1.035 nan 8.290 nan 0.000 0.564 276 G N 0.885 109.751 108.800 0.111 0.000 2.588 276 G HA2 0.643 4.611 3.960 0.014 0.000 0.281 276 G HA3 0.643 4.611 3.960 0.014 0.000 0.281 276 G C 0.453 175.393 174.900 0.066 0.000 1.236 276 G CA -0.277 44.878 45.100 0.091 0.000 0.969 276 G HN 0.843 nan 8.290 nan 0.000 0.504 277 E N -0.328 119.904 120.200 0.053 0.000 2.422 277 E HA 0.023 4.381 4.350 0.014 0.000 0.260 277 E C 0.254 176.877 176.600 0.037 0.000 1.108 277 E CA -0.176 56.245 56.400 0.035 0.000 0.943 277 E CB 0.976 30.694 29.700 0.031 0.000 0.961 277 E HN 0.297 nan 8.360 nan 0.000 0.443 278 I N 1.724 122.305 120.570 0.018 0.000 2.710 278 I HA -0.124 4.055 4.170 0.014 0.000 0.286 278 I C 1.473 177.598 176.117 0.013 0.000 1.181 278 I CA 0.430 61.733 61.300 0.005 0.000 1.430 278 I CB 0.184 38.182 38.000 -0.003 0.000 1.367 278 I HN 0.576 nan 8.210 nan 0.000 0.577 279 I N 1.056 121.627 120.570 0.002 0.000 4.312 279 I HA 0.311 4.489 4.170 0.014 0.000 0.324 279 I C -0.133 175.983 176.117 -0.000 0.000 1.298 279 I CA 0.040 61.351 61.300 0.018 0.000 1.231 279 I CB 0.509 38.546 38.000 0.062 0.000 1.152 279 I HN 0.626 nan 8.210 nan 0.000 0.421 280 D N -0.434 119.953 120.400 -0.023 0.000 2.838 280 D HA 0.166 4.814 4.640 0.014 0.000 0.334 280 D C 0.254 176.536 176.300 -0.029 0.000 1.315 280 D CA -0.494 53.493 54.000 -0.021 0.000 0.917 280 D CB 0.416 41.203 40.800 -0.021 0.000 1.435 280 D HN -0.116 nan 8.370 nan 0.000 0.517 281 E N -1.033 119.152 120.200 -0.025 0.000 2.331 281 E HA -0.039 4.319 4.350 0.014 0.000 0.199 281 E C 1.212 177.792 176.600 -0.033 0.000 1.008 281 E CA 0.947 57.332 56.400 -0.024 0.000 0.843 281 E CB -0.032 29.657 29.700 -0.018 0.000 0.761 281 E HN 0.214 nan 8.360 nan 0.000 0.507 282 R N -0.367 120.104 120.500 -0.048 0.000 2.334 282 R HA 0.305 4.653 4.340 0.014 0.000 0.216 282 R C 0.792 177.049 176.300 -0.072 0.000 0.905 282 R CA 0.654 56.719 56.100 -0.058 0.000 1.064 282 R CB 0.718 30.976 30.300 -0.069 0.000 1.046 282 R HN 0.205 nan 8.270 nan 0.000 0.508 283 G N -0.435 108.325 108.800 -0.067 0.000 2.408 283 G HA2 -0.113 3.855 3.960 0.014 0.000 0.204 283 G HA3 -0.113 3.855 3.960 0.014 0.000 0.204 283 G C -0.260 174.586 174.900 -0.089 0.000 1.186 283 G CA -0.613 44.447 45.100 -0.066 0.000 1.139 283 G HN 0.473 nan 8.290 nan 0.000 0.563 284 G N -2.015 106.727 108.800 -0.096 0.000 3.022 284 G HA2 0.633 4.602 3.960 0.014 0.000 0.284 284 G HA3 0.633 4.602 3.960 0.014 0.000 0.284 284 G C -1.562 173.240 174.900 -0.163 0.000 1.375 284 G CA -0.699 44.346 45.100 -0.092 0.000 0.902 284 G HN 0.779 nan 8.290 nan 0.000 0.538 285 Y N 1.243 121.553 120.300 0.016 0.000 2.556 285 Y HA 0.394 4.952 4.550 0.013 0.000 0.352 285 Y C 1.549 177.468 175.900 0.032 0.000 1.006 285 Y CA 0.243 58.355 58.100 0.021 0.000 1.277 285 Y CB 1.526 40.004 38.460 0.029 0.000 1.136 285 Y HN 0.552 nan 8.280 nan 0.000 0.523 286 A N 1.815 124.697 122.820 0.102 0.000 2.121 286 A HA -0.155 4.173 4.320 0.014 0.000 0.218 286 A C 1.354 178.997 177.584 0.098 0.000 1.154 286 A CA 1.464 53.549 52.037 0.080 0.000 0.679 286 A CB -0.287 18.721 19.000 0.012 0.000 0.795 286 A HN 0.784 nan 8.150 nan 0.000 0.458 287 D N -0.892 119.571 120.400 0.104 0.000 2.388 287 D HA 0.146 4.794 4.640 0.014 0.000 0.221 287 D C 0.482 176.874 176.300 0.154 0.000 1.133 287 D CA -0.072 53.914 54.000 -0.024 0.000 0.831 287 D CB -0.010 40.754 40.800 -0.059 0.000 0.962 287 D HN 0.426 nan 8.370 nan 0.000 0.502 288 R N -0.758 119.940 120.500 0.330 0.000 2.836 288 R HA 0.771 5.120 4.340 0.014 0.000 0.269 288 R C -1.486 174.961 176.300 0.245 0.000 1.010 288 R CA -1.191 55.093 56.100 0.306 0.000 0.930 288 R CB 2.982 33.332 30.300 0.083 0.000 1.218 288 R HN -0.023 nan 8.270 nan 0.000 0.473 289 V N 0.024 119.970 119.914 0.053 0.000 3.120 289 V HA 0.534 4.662 4.120 0.014 0.000 0.303 289 V C -1.581 174.462 176.094 -0.086 0.000 1.238 289 V CA -0.278 61.974 62.300 -0.079 0.000 1.008 289 V CB 2.788 34.427 31.823 -0.306 0.000 1.064 289 V HN 0.818 nan 8.190 nan 0.000 0.434 290 T N 6.978 121.490 114.554 -0.069 0.000 2.812 290 T HA 0.619 4.978 4.350 0.014 0.000 0.282 290 T C -1.038 173.623 174.700 -0.066 0.000 0.990 290 T CA -0.415 61.650 62.100 -0.058 0.000 0.960 290 T CB 1.170 70.017 68.868 -0.034 0.000 0.948 290 T HN 0.488 nan 8.240 nan 0.000 0.438 291 L N 3.333 124.517 121.223 -0.065 0.000 2.322 291 L HA 0.597 4.945 4.340 0.014 0.000 0.279 291 L C 0.395 177.237 176.870 -0.048 0.000 1.036 291 L CA -0.487 54.316 54.840 -0.063 0.000 0.807 291 L CB 1.494 43.514 42.059 -0.066 0.000 1.226 291 L HN 0.545 nan 8.230 nan 0.000 0.433 292 R N 2.928 123.401 120.500 -0.046 0.000 2.476 292 R HA 0.642 4.990 4.340 0.014 0.000 0.305 292 R C -1.388 174.885 176.300 -0.045 0.000 0.965 292 R CA -0.877 55.197 56.100 -0.044 0.000 0.867 292 R CB 2.073 32.348 30.300 -0.042 0.000 1.176 292 R HN 0.258 nan 8.270 nan 0.000 0.447 293 L N 2.706 123.904 121.223 -0.043 0.000 2.333 293 L HA 0.357 4.705 4.340 0.014 0.000 0.280 293 L C -0.172 176.671 176.870 -0.045 0.000 1.004 293 L CA -0.304 54.510 54.840 -0.043 0.000 0.820 293 L CB 1.748 43.786 42.059 -0.034 0.000 1.247 293 L HN 0.513 nan 8.230 nan 0.000 0.416 294 N N 1.842 120.509 118.700 -0.054 0.000 2.488 294 N HA 0.517 5.265 4.740 0.014 0.000 0.274 294 N C -1.167 174.296 175.510 -0.078 0.000 1.111 294 N CA -0.393 52.621 53.050 -0.061 0.000 0.974 294 N CB 1.431 39.884 38.487 -0.056 0.000 1.089 294 N HN 0.215 nan 8.380 nan 0.000 0.465 295 V N 2.208 122.061 119.914 -0.102 0.000 2.443 295 V HA 0.202 4.330 4.120 0.014 0.000 0.293 295 V C -0.283 175.721 176.094 -0.150 0.000 1.021 295 V CA -0.840 61.359 62.300 -0.167 0.000 0.848 295 V CB 1.519 33.145 31.823 -0.330 0.000 0.998 295 V HN 0.581 nan 8.190 nan 0.000 0.424 296 E N 2.855 122.992 120.200 -0.106 0.000 2.313 296 E HA 0.255 4.613 4.350 0.014 0.000 0.276 296 E C 0.367 176.935 176.600 -0.053 0.000 1.031 296 E CA -0.219 56.145 56.400 -0.061 0.000 0.857 296 E CB 0.474 30.150 29.700 -0.039 0.000 1.040 296 E HN 0.729 nan 8.360 nan 0.000 0.408 297 N N 1.357 120.050 118.700 -0.011 0.000 2.698 297 N HA -0.164 4.585 4.740 0.014 0.000 0.258 297 N C -2.437 173.073 175.510 -0.001 0.000 0.978 297 N CA 0.245 53.306 53.050 0.019 0.000 0.777 297 N CB -0.965 37.536 38.487 0.023 0.000 0.907 297 N HN 0.304 nan 8.380 nan 0.000 0.543 298 P HA 0.011 nan 4.420 nan 0.000 0.269 298 P C -0.391 176.941 177.300 0.052 0.000 1.209 298 P CA 0.244 63.247 63.100 -0.162 0.000 0.776 298 P CB 0.780 32.128 31.700 -0.587 0.000 0.876 299 K N 2.597 123.118 120.400 0.201 0.000 2.349 299 K HA 0.278 4.606 4.320 0.014 0.000 0.289 299 K C 0.199 176.965 176.600 0.276 0.000 1.064 299 K CA -0.346 56.060 56.287 0.198 0.000 0.947 299 K CB 0.224 32.812 32.500 0.146 0.000 1.007 299 K HN 0.440 nan 8.250 nan 0.000 0.478 300 L N 2.493 123.805 121.223 0.148 0.000 2.375 300 L HA 0.330 4.678 4.340 0.014 0.000 0.271 300 L C -0.013 176.929 176.870 0.120 0.000 1.107 300 L CA -0.885 54.040 54.840 0.142 0.000 0.806 300 L CB 0.435 42.426 42.059 -0.115 0.000 1.146 300 L HN 0.589 nan 8.230 nan 0.000 0.447 301 W N 2.892 124.209 121.300 0.028 0.000 2.438 301 W HA 0.512 5.179 4.660 0.012 0.000 0.324 301 W C -0.089 176.360 176.519 -0.117 0.000 1.119 301 W CA 0.086 57.432 57.345 0.002 0.000 1.221 301 W CB 1.381 30.896 29.460 0.091 0.000 1.253 301 W HN 0.631 nan 8.180 nan 0.000 0.555 302 S N 2.839 118.036 115.700 -0.839 0.000 2.643 302 S HA 0.635 5.113 4.470 0.014 0.000 0.270 302 S C 0.102 173.903 174.600 -1.332 0.000 1.166 302 S CA -0.385 57.322 58.200 -0.821 0.000 0.815 302 S CB 1.142 64.069 63.200 -0.455 0.000 1.139 302 S HN 0.966 nan 8.310 nan 0.000 0.472 303 A N 0.445 122.618 122.820 -1.079 0.000 2.015 303 A HA 0.036 4.364 4.320 0.014 0.000 0.219 303 A C 1.764 178.992 177.584 -0.594 0.000 1.163 303 A CA 1.463 52.886 52.037 -1.023 0.000 0.646 303 A CB -0.942 17.290 19.000 -1.279 0.000 0.806 303 A HN 0.867 nan 8.150 nan 0.000 0.448 304 E N -0.827 119.162 120.200 -0.351 0.000 2.072 304 E HA 0.022 4.380 4.350 0.014 0.000 0.191 304 E C -0.212 176.233 176.600 -0.257 0.000 0.985 304 E CA 0.745 57.010 56.400 -0.226 0.000 0.801 304 E CB 0.002 29.709 29.700 0.012 0.000 0.750 304 E HN 0.602 nan 8.360 nan 0.000 0.452 305 I N 1.647 122.032 120.570 -0.308 0.000 2.595 305 I HA 0.137 4.315 4.170 0.014 0.000 0.276 305 I C -2.471 173.409 176.117 -0.395 0.000 1.109 305 I CA -1.755 59.393 61.300 -0.252 0.000 1.084 305 I CB 2.211 40.121 38.000 -0.150 0.000 1.206 305 I HN -0.206 nan 8.210 nan 0.000 0.486 306 P HA 0.047 nan 4.420 nan 0.000 0.232 306 P C -0.563 176.670 177.300 -0.110 0.000 1.738 306 P CA -0.148 62.599 63.100 -0.590 0.000 0.948 306 P CB -0.308 31.188 31.700 -0.341 0.000 1.943 307 N N 1.589 120.267 118.700 -0.037 0.000 2.454 307 N HA 0.132 4.880 4.740 0.014 0.000 0.260 307 N C 0.163 175.876 175.510 0.338 0.000 1.218 307 N CA 0.422 53.540 53.050 0.113 0.000 0.904 307 N CB 0.830 39.383 38.487 0.109 0.000 1.065 307 N HN 0.305 nan 8.380 nan 0.000 0.462 308 L N 2.125 123.476 121.223 0.213 0.000 2.371 308 L HA 0.486 4.834 4.340 0.014 0.000 0.262 308 L C -0.802 176.158 176.870 0.150 0.000 1.006 308 L CA -0.856 54.163 54.840 0.299 0.000 0.818 308 L CB 1.309 43.511 42.059 0.239 0.000 1.354 308 L HN 0.392 nan 8.230 nan 0.000 0.415 309 Y N 0.095 120.544 120.300 0.249 0.000 2.650 309 Y HA 0.648 5.206 4.550 0.014 0.000 0.331 309 Y C -0.208 175.808 175.900 0.193 0.000 1.082 309 Y CA -0.823 57.423 58.100 0.244 0.000 1.171 309 Y CB 1.596 40.264 38.460 0.346 0.000 1.326 309 Y HN 0.371 nan 8.280 nan 0.000 0.513 310 R N 0.996 121.725 120.500 0.382 0.000 2.393 310 R HA 0.784 5.133 4.340 0.014 0.000 0.315 310 R C -1.597 174.885 176.300 0.302 0.000 0.952 310 R CA -0.468 55.784 56.100 0.253 0.000 0.842 310 R CB 0.963 31.337 30.300 0.123 0.000 1.163 310 R HN 0.728 nan 8.270 nan 0.000 0.450 311 A N 3.914 126.852 122.820 0.196 0.000 2.288 311 A HA 0.609 4.937 4.320 0.014 0.000 0.320 311 A C -1.018 176.612 177.584 0.076 0.000 1.217 311 A CA -0.649 51.484 52.037 0.161 0.000 0.840 311 A CB 1.275 20.333 19.000 0.098 0.000 1.179 311 A HN 0.495 nan 8.150 nan 0.000 0.504 312 V N 3.426 123.394 119.914 0.090 0.000 2.417 312 V HA 0.371 4.499 4.120 0.014 0.000 0.291 312 V C -0.328 175.726 176.094 -0.067 0.000 1.024 312 V CA -0.498 61.789 62.300 -0.022 0.000 0.861 312 V CB 1.578 33.405 31.823 0.007 0.000 0.985 312 V HN 0.616 nan 8.190 nan 0.000 0.436 313 V N 4.994 124.795 119.914 -0.189 0.000 2.328 313 V HA 0.410 4.538 4.120 0.014 0.000 0.278 313 V C -0.014 176.010 176.094 -0.117 0.000 1.021 313 V CA -0.544 61.624 62.300 -0.220 0.000 0.838 313 V CB 1.237 32.747 31.823 -0.522 0.000 0.999 313 V HN 0.922 nan 8.190 nan 0.000 0.447 314 E N 3.937 124.126 120.200 -0.019 0.000 2.166 314 E HA 0.498 4.857 4.350 0.014 0.000 0.275 314 E C -1.036 175.648 176.600 0.140 0.000 0.941 314 E CA -0.896 55.545 56.400 0.068 0.000 0.784 314 E CB 2.475 32.234 29.700 0.098 0.000 1.115 314 E HN 0.447 nan 8.360 nan 0.000 0.399 315 L N 4.720 126.009 121.223 0.110 0.000 2.265 315 L HA 0.384 4.732 4.340 0.014 0.000 0.289 315 L C -0.991 175.975 176.870 0.160 0.000 1.033 315 L CA 0.071 54.972 54.840 0.101 0.000 0.814 315 L CB -0.165 41.944 42.059 0.084 0.000 1.203 315 L HN 0.686 nan 8.230 nan 0.000 0.423 316 H N 0.496 119.611 119.070 0.075 0.000 2.933 316 H HA 0.818 5.382 4.556 0.014 0.000 0.310 316 H C -0.800 174.600 175.328 0.121 0.000 1.351 316 H CA -0.438 55.656 56.048 0.077 0.000 1.137 316 H CB 0.819 30.605 29.762 0.041 0.000 1.853 316 H HN 0.470 nan 8.280 nan 0.000 0.539 317 T N -2.302 112.392 114.554 0.233 0.000 2.943 317 T HA 0.580 4.938 4.350 0.014 0.000 0.284 317 T C 1.343 176.177 174.700 0.224 0.000 1.015 317 T CA -0.407 61.814 62.100 0.202 0.000 1.042 317 T CB 1.577 70.518 68.868 0.122 0.000 1.055 317 T HN 0.957 nan 8.240 nan 0.000 0.500 318 A N 0.603 123.518 122.820 0.158 0.000 1.978 318 A HA -0.060 4.269 4.320 0.014 0.000 0.220 318 A C 1.806 179.468 177.584 0.130 0.000 1.170 318 A CA 1.426 53.546 52.037 0.138 0.000 0.636 318 A CB -0.788 18.275 19.000 0.106 0.000 0.810 318 A HN 0.909 nan 8.150 nan 0.000 0.448 319 D N -1.418 119.037 120.400 0.092 0.000 2.319 319 D HA 0.279 4.927 4.640 0.014 0.000 0.230 319 D C 1.200 177.531 176.300 0.052 0.000 1.094 319 D CA 0.966 54.998 54.000 0.052 0.000 0.856 319 D CB 0.139 40.944 40.800 0.009 0.000 0.915 319 D HN 0.597 nan 8.370 nan 0.000 0.517 320 G N 0.615 109.478 108.800 0.104 0.000 2.179 320 G HA2 -0.222 3.746 3.960 0.014 0.000 0.220 320 G HA3 -0.222 3.746 3.960 0.014 0.000 0.220 320 G C 0.539 175.470 174.900 0.053 0.000 0.990 320 G CA -0.094 45.041 45.100 0.058 0.000 0.646 320 G HN 0.265 nan 8.290 nan 0.000 0.517 321 T N 1.332 115.934 114.554 0.081 0.000 2.806 321 T HA 0.544 4.903 4.350 0.014 0.000 0.290 321 T C 0.192 174.958 174.700 0.110 0.000 0.966 321 T CA -0.215 61.923 62.100 0.063 0.000 1.060 321 T CB 1.831 70.718 68.868 0.032 0.000 0.927 321 T HN 0.578 nan 8.240 nan 0.000 0.485 322 L N 4.618 125.889 121.223 0.080 0.000 2.331 322 L HA 0.407 4.755 4.340 0.014 0.000 0.278 322 L C 0.685 177.612 176.870 0.095 0.000 1.106 322 L CA 0.328 55.231 54.840 0.105 0.000 0.824 322 L CB 0.263 42.358 42.059 0.059 0.000 1.142 322 L HN 0.708 nan 8.230 nan 0.000 0.443 323 I N 2.624 123.258 120.570 0.106 0.000 2.512 323 I HA 0.122 4.300 4.170 0.014 0.000 0.247 323 I C 0.285 176.426 176.117 0.039 0.000 1.094 323 I CA 0.568 61.910 61.300 0.069 0.000 1.427 323 I CB 0.163 38.209 38.000 0.076 0.000 1.149 323 I HN 0.826 nan 8.210 nan 0.000 0.438 324 E N -0.191 120.033 120.200 0.040 0.000 2.422 324 E HA 0.714 5.073 4.350 0.014 0.000 0.280 324 E C -1.483 175.137 176.600 0.033 0.000 1.091 324 E CA -1.135 55.278 56.400 0.022 0.000 0.849 324 E CB 1.573 31.248 29.700 -0.041 0.000 1.353 324 E HN -0.039 nan 8.360 nan 0.000 0.449 325 A N 0.947 123.807 122.820 0.066 0.000 2.435 325 A HA 0.719 5.048 4.320 0.014 0.000 0.304 325 A C -0.976 176.692 177.584 0.139 0.000 1.064 325 A CA -0.703 51.375 52.037 0.068 0.000 0.727 325 A CB 1.709 20.751 19.000 0.071 0.000 1.284 325 A HN 0.516 nan 8.150 nan 0.000 0.415 326 E N -0.486 119.725 120.200 0.018 0.000 2.393 326 E HA 0.854 5.212 4.350 0.014 0.000 0.265 326 E C -0.547 176.078 176.600 0.042 0.000 0.941 326 E CA -0.533 55.945 56.400 0.131 0.000 0.801 326 E CB 2.384 32.075 29.700 -0.015 0.000 1.313 326 E HN 1.258 nan 8.360 nan 0.000 0.435 327 A N -0.204 122.767 122.820 0.252 0.000 2.586 327 A HA 0.673 5.001 4.320 0.014 0.000 0.291 327 A C -1.189 176.591 177.584 0.327 0.000 1.062 327 A CA -0.375 51.727 52.037 0.109 0.000 0.666 327 A CB 0.651 19.597 19.000 -0.091 0.000 1.281 327 A HN 0.845 nan 8.150 nan 0.000 0.421 328 C N -0.508 118.932 119.300 0.232 0.000 3.288 328 C HA 0.836 5.304 4.460 0.014 0.000 0.318 328 C C -1.315 173.766 174.990 0.151 0.000 1.356 328 C CA -0.879 58.281 59.018 0.238 0.000 1.359 328 C CB 1.138 29.049 27.740 0.285 0.000 1.688 328 C HN 0.822 nan 8.230 nan 0.000 0.467 329 D N 0.931 121.405 120.400 0.125 0.000 2.302 329 D HA 0.581 5.229 4.640 0.014 0.000 0.248 329 D C -0.413 175.941 176.300 0.090 0.000 1.094 329 D CA 0.142 54.216 54.000 0.124 0.000 0.897 329 D CB 1.861 42.737 40.800 0.128 0.000 1.200 329 D HN 0.554 nan 8.370 nan 0.000 0.429 330 V N 1.118 121.110 119.914 0.130 0.000 2.540 330 V HA 0.668 4.797 4.120 0.014 0.000 0.302 330 V C 0.514 176.671 176.094 0.106 0.000 1.035 330 V CA -0.834 61.487 62.300 0.035 0.000 0.873 330 V CB 2.078 33.900 31.823 -0.002 0.000 0.992 330 V HN 0.603 nan 8.190 nan 0.000 0.428 331 G N 3.138 111.899 108.800 -0.065 0.000 2.422 331 G HA2 0.605 4.573 3.960 0.014 0.000 0.317 331 G HA3 0.605 4.573 3.960 0.014 0.000 0.317 331 G C -1.007 173.950 174.900 0.095 0.000 1.210 331 G CA -0.374 44.766 45.100 0.068 0.000 0.930 331 G HN 0.428 nan 8.290 nan 0.000 0.468 332 F N 3.939 124.075 119.950 0.309 0.000 2.466 332 F HA 0.451 4.986 4.527 0.013 0.000 0.363 332 F C 1.132 177.156 175.800 0.373 0.000 1.109 332 F CA -0.080 58.151 58.000 0.384 0.000 1.161 332 F CB 0.766 40.014 39.000 0.413 0.000 1.117 332 F HN 0.444 nan 8.300 nan 0.000 0.539 333 R N 3.189 123.962 120.500 0.456 0.000 2.629 333 R HA 0.400 4.748 4.340 0.014 0.000 0.266 333 R C -1.863 174.568 176.300 0.219 0.000 1.051 333 R CA -0.795 55.417 56.100 0.186 0.000 0.895 333 R CB 1.615 32.067 30.300 0.253 0.000 1.246 333 R HN 0.613 nan 8.270 nan 0.000 0.459 334 E N 2.236 122.476 120.200 0.066 0.000 2.183 334 E HA 0.490 4.849 4.350 0.014 0.000 0.271 334 E C -1.243 175.425 176.600 0.114 0.000 0.919 334 E CA -0.935 55.590 56.400 0.208 0.000 0.781 334 E CB 2.139 32.014 29.700 0.291 0.000 1.140 334 E HN 0.399 nan 8.360 nan 0.000 0.402 335 V N 5.336 125.315 119.914 0.107 0.000 2.487 335 V HA 0.590 4.718 4.120 0.014 0.000 0.298 335 V C -0.219 175.917 176.094 0.069 0.000 1.028 335 V CA -0.651 61.684 62.300 0.058 0.000 0.860 335 V CB 1.374 33.208 31.823 0.018 0.000 0.991 335 V HN 0.762 nan 8.190 nan 0.000 0.427 336 R N 4.120 124.658 120.500 0.063 0.000 2.716 336 R HA 0.740 5.088 4.340 0.014 0.000 0.271 336 R C -2.115 174.214 176.300 0.048 0.000 1.028 336 R CA -0.942 55.197 56.100 0.065 0.000 0.883 336 R CB 1.961 32.314 30.300 0.087 0.000 1.250 336 R HN 0.508 nan 8.270 nan 0.000 0.465 337 I N 1.028 121.626 120.570 0.047 0.000 2.378 337 I HA 0.375 4.553 4.170 0.014 0.000 0.291 337 I C -0.670 175.472 176.117 0.040 0.000 0.992 337 I CA -0.446 60.876 61.300 0.037 0.000 1.154 337 I CB 1.935 39.957 38.000 0.037 0.000 1.315 337 I HN 0.694 nan 8.210 nan 0.000 0.448 338 E N 5.631 125.851 120.200 0.034 0.000 2.290 338 E HA 0.270 4.628 4.350 0.014 0.000 0.274 338 E C -0.320 176.296 176.600 0.026 0.000 0.889 338 E CA -0.553 55.868 56.400 0.036 0.000 0.760 338 E CB 1.106 30.833 29.700 0.044 0.000 1.206 338 E HN 0.540 nan 8.360 nan 0.000 0.419 339 N N 2.991 121.706 118.700 0.026 0.000 2.725 339 N HA -0.235 4.513 4.740 0.014 0.000 0.249 339 N C 0.451 175.970 175.510 0.014 0.000 1.103 339 N CA 2.138 55.200 53.050 0.019 0.000 0.707 339 N CB -1.167 37.330 38.487 0.017 0.000 1.043 339 N HN 0.976 nan 8.380 nan 0.000 0.553 340 G N -2.416 106.393 108.800 0.015 0.000 2.176 340 G HA2 -0.275 3.694 3.960 0.014 0.000 0.253 340 G HA3 -0.275 3.694 3.960 0.014 0.000 0.253 340 G C -0.103 174.795 174.900 -0.002 0.000 0.979 340 G CA 0.448 45.553 45.100 0.008 0.000 0.641 340 G HN 0.453 nan 8.290 nan 0.000 0.530 341 L N 0.192 121.415 121.223 -0.001 0.000 2.362 341 L HA 0.710 5.058 4.340 0.014 0.000 0.271 341 L C 0.051 176.914 176.870 -0.011 0.000 1.002 341 L CA -1.342 53.490 54.840 -0.014 0.000 0.818 341 L CB 1.918 43.968 42.059 -0.014 0.000 1.298 341 L HN 0.093 nan 8.230 nan 0.000 0.420 342 L N 4.374 125.579 121.223 -0.030 0.000 2.315 342 L HA 0.414 4.762 4.340 0.014 0.000 0.283 342 L C -0.845 176.007 176.870 -0.030 0.000 1.089 342 L CA 0.453 55.276 54.840 -0.029 0.000 0.833 342 L CB 0.154 42.181 42.059 -0.053 0.000 1.170 342 L HN 0.378 nan 8.230 nan 0.000 0.442 343 L N 5.948 127.169 121.223 -0.002 0.000 2.334 343 L HA 0.541 4.889 4.340 0.014 0.000 0.276 343 L C -0.750 176.131 176.870 0.019 0.000 1.014 343 L CA -0.804 54.044 54.840 0.013 0.000 0.815 343 L CB 1.883 43.970 42.059 0.048 0.000 1.268 343 L HN 0.541 nan 8.230 nan 0.000 0.428 344 L N 3.901 125.147 121.223 0.038 0.000 2.325 344 L HA 0.483 4.831 4.340 0.014 0.000 0.281 344 L C -0.128 176.766 176.870 0.039 0.000 1.004 344 L CA -0.050 54.816 54.840 0.044 0.000 0.823 344 L CB 0.884 42.975 42.059 0.053 0.000 1.236 344 L HN 0.614 nan 8.230 nan 0.000 0.415 345 N N 4.035 122.634 118.700 -0.168 0.000 2.721 345 N HA -0.226 4.523 4.740 0.014 0.000 0.249 345 N C 0.923 176.174 175.510 -0.432 0.000 1.072 345 N CA 1.298 53.963 53.050 -0.642 0.000 0.710 345 N CB -1.389 36.596 38.487 -0.836 0.000 0.993 345 N HN 1.174 nan 8.380 nan 0.000 0.547 346 G N -2.058 106.730 108.800 -0.020 0.000 2.184 346 G HA2 -0.355 3.613 3.960 0.014 0.000 0.264 346 G HA3 -0.355 3.613 3.960 0.014 0.000 0.264 346 G C -0.041 174.902 174.900 0.070 0.000 0.975 346 G CA 0.923 46.099 45.100 0.127 0.000 0.642 346 G HN 0.414 nan 8.290 nan 0.000 0.536 347 K N 0.769 121.204 120.400 0.058 0.000 2.203 347 K HA 0.552 4.880 4.320 0.014 0.000 0.251 347 K C -2.731 173.854 176.600 -0.025 0.000 0.944 347 K CA -2.181 54.096 56.287 -0.017 0.000 0.829 347 K CB 2.542 34.949 32.500 -0.155 0.000 1.125 347 K HN 0.075 nan 8.250 nan 0.000 0.430 348 P HA 0.247 nan 4.420 nan 0.000 0.281 348 P C -0.130 177.121 177.300 -0.081 0.000 1.252 348 P CA -0.347 62.718 63.100 -0.057 0.000 0.778 348 P CB 0.665 32.330 31.700 -0.058 0.000 0.895 349 L N 3.111 124.282 121.223 -0.087 0.000 2.453 349 L HA 0.294 4.642 4.340 0.014 0.000 0.261 349 L C 0.669 177.471 176.870 -0.113 0.000 1.179 349 L CA -0.570 54.210 54.840 -0.100 0.000 0.813 349 L CB 0.244 42.196 42.059 -0.178 0.000 1.110 349 L HN 0.276 nan 8.230 nan 0.000 0.466 350 L N 3.471 124.644 121.223 -0.082 0.000 2.442 350 L HA 0.404 4.752 4.340 0.014 0.000 0.261 350 L C -0.539 176.293 176.870 -0.063 0.000 1.000 350 L CA -0.199 54.573 54.840 -0.113 0.000 0.882 350 L CB 0.759 42.779 42.059 -0.065 0.000 1.207 350 L HN 0.245 nan 8.230 nan 0.000 0.443 351 I N 4.476 124.940 120.570 -0.176 0.000 2.494 351 I HA 0.153 4.331 4.170 0.014 0.000 0.289 351 I C 0.621 176.708 176.117 -0.049 0.000 1.106 351 I CA 0.299 61.506 61.300 -0.155 0.000 1.369 351 I CB 0.262 38.031 38.000 -0.385 0.000 1.410 351 I HN 0.564 nan 8.210 nan 0.000 0.523 352 R N 4.751 125.308 120.500 0.094 0.000 3.070 352 R HA 0.413 4.761 4.340 0.014 0.000 0.252 352 R C 0.563 176.988 176.300 0.208 0.000 1.370 352 R CA -0.257 55.929 56.100 0.144 0.000 1.482 352 R CB 0.721 30.926 30.300 -0.158 0.000 1.220 352 R HN 0.766 nan 8.270 nan 0.000 0.622 353 G N 0.106 108.994 108.800 0.148 0.000 2.461 353 G HA2 0.555 4.523 3.960 0.014 0.000 0.329 353 G HA3 0.555 4.523 3.960 0.014 0.000 0.329 353 G C -1.248 173.974 174.900 0.536 0.000 1.170 353 G CA -0.423 44.756 45.100 0.131 0.000 0.935 353 G HN 0.228 nan 8.290 nan 0.000 0.492 354 V N 0.257 120.453 119.914 0.470 0.000 2.971 354 V HA 0.481 4.610 4.120 0.014 0.000 0.309 354 V C -1.000 175.257 176.094 0.271 0.000 1.130 354 V CA -1.247 61.225 62.300 0.288 0.000 0.964 354 V CB 2.247 33.950 31.823 -0.200 0.000 1.029 354 V HN 0.758 nan 8.190 nan 0.000 0.427 355 N N 4.104 122.883 118.700 0.132 0.000 2.499 355 N HA 0.440 5.189 4.740 0.014 0.000 0.281 355 N C -0.763 174.601 175.510 -0.245 0.000 1.098 355 N CA -0.280 52.718 53.050 -0.087 0.000 0.979 355 N CB 1.478 39.861 38.487 -0.174 0.000 1.121 355 N HN 0.612 nan 8.380 nan 0.000 0.466 356 R N 2.034 122.355 120.500 -0.298 0.000 2.514 356 R HA 0.218 4.566 4.340 0.014 0.000 0.296 356 R C -0.945 175.145 176.300 -0.349 0.000 1.012 356 R CA -0.544 55.403 56.100 -0.255 0.000 0.897 356 R CB 0.890 31.022 30.300 -0.281 0.000 1.184 356 R HN 0.598 nan 8.270 nan 0.000 0.440 357 H N 2.051 121.003 119.070 -0.196 0.000 2.508 357 H HA 0.136 4.701 4.556 0.014 0.000 0.358 357 H C -0.494 174.847 175.328 0.021 0.000 1.212 357 H CA 0.057 56.077 56.048 -0.047 0.000 1.356 357 H CB 1.445 31.238 29.762 0.053 0.000 1.525 357 H HN 0.546 nan 8.280 nan 0.000 0.578 358 E N 1.698 122.090 120.200 0.319 0.000 2.001 358 E HA 0.117 4.475 4.350 0.014 0.000 0.279 358 E C -0.800 175.947 176.600 0.245 0.000 1.045 358 E CA -0.059 56.450 56.400 0.183 0.000 0.833 358 E CB 0.325 30.154 29.700 0.215 0.000 1.077 358 E HN 0.381 nan 8.360 nan 0.000 0.397 359 H N 1.612 120.748 119.070 0.110 0.000 2.894 359 H HA 0.317 4.881 4.556 0.014 0.000 0.367 359 H C -1.690 173.704 175.328 0.110 0.000 1.144 359 H CA -0.649 55.461 56.048 0.103 0.000 1.180 359 H CB 1.244 31.056 29.762 0.085 0.000 1.758 359 H HN 0.395 nan 8.280 nan 0.000 0.541 360 H N 5.418 124.043 119.070 -0.742 0.000 2.947 360 H HA 0.204 4.768 4.556 0.014 0.000 0.354 360 H C -2.420 172.537 175.328 -0.617 0.000 1.085 360 H CA -2.214 53.567 56.048 -0.445 0.000 1.253 360 H CB 2.796 32.432 29.762 -0.210 0.000 1.757 360 H HN 0.518 nan 8.280 nan 0.000 0.523 361 P HA -0.064 nan 4.420 nan 0.000 0.222 361 P C 1.100 178.325 177.300 -0.124 0.000 1.147 361 P CA 0.877 63.874 63.100 -0.171 0.000 0.790 361 P CB 0.729 32.351 31.700 -0.131 0.000 0.780 362 L N -2.216 119.018 121.223 0.020 0.000 2.467 362 L HA 0.166 4.514 4.340 0.014 0.000 0.213 362 L C 2.149 178.804 176.870 -0.358 0.000 1.053 362 L CA 0.533 55.243 54.840 -0.217 0.000 0.847 362 L CB -0.864 40.953 42.059 -0.404 0.000 1.075 362 L HN -0.018 nan 8.230 nan 0.000 0.479 363 H N -0.019 118.962 119.070 -0.149 0.000 2.551 363 H HA 0.312 4.876 4.556 0.014 0.000 0.271 363 H C 1.405 176.602 175.328 -0.219 0.000 0.984 363 H CA 0.216 56.101 56.048 -0.272 0.000 1.164 363 H CB 0.507 29.990 29.762 -0.466 0.000 1.437 363 H HN 0.395 nan 8.280 nan 0.000 0.550 364 G N 1.340 110.030 108.800 -0.185 0.000 2.527 364 G HA2 -0.357 3.612 3.960 0.014 0.000 0.262 364 G HA3 -0.357 3.612 3.960 0.014 0.000 0.262 364 G C 0.459 175.265 174.900 -0.157 0.000 1.153 364 G CA 0.161 45.122 45.100 -0.232 0.000 0.954 364 G HN 0.430 nan 8.290 nan 0.000 0.552 365 Q N -0.107 119.632 119.800 -0.102 0.000 2.204 365 Q HA 0.475 4.824 4.340 0.014 0.000 0.209 365 Q C 0.275 176.371 176.000 0.161 0.000 0.861 365 Q CA -0.138 55.660 55.803 -0.009 0.000 0.971 365 Q CB 1.226 29.862 28.738 -0.169 0.000 1.095 365 Q HN 0.388 nan 8.270 nan 0.000 0.486 366 V N 1.977 121.956 119.914 0.108 0.000 2.461 366 V HA 0.191 4.320 4.120 0.014 0.000 0.275 366 V C 0.178 176.312 176.094 0.067 0.000 1.047 366 V CA 0.067 62.438 62.300 0.117 0.000 0.955 366 V CB 0.938 32.764 31.823 0.005 0.000 0.988 366 V HN 0.335 nan 8.190 nan 0.000 0.471 367 M N 4.588 124.228 119.600 0.066 0.000 2.537 367 M HA 0.517 5.005 4.480 0.014 0.000 0.324 367 M C -0.527 175.708 176.300 -0.108 0.000 1.187 367 M CA -0.645 54.643 55.300 -0.019 0.000 0.993 367 M CB 1.660 34.209 32.600 -0.085 0.000 1.666 367 M HN 0.939 nan 8.290 nan 0.000 0.461 368 D N -1.533 118.822 120.400 -0.075 0.000 2.581 368 D HA 0.260 4.908 4.640 0.014 0.000 0.232 368 D C 0.360 176.638 176.300 -0.037 0.000 1.143 368 D CA -0.692 53.267 54.000 -0.068 0.000 0.881 368 D CB 1.438 42.231 40.800 -0.011 0.000 1.500 368 D HN 0.685 nan 8.370 nan 0.000 0.458 369 E N -0.046 120.144 120.200 -0.018 0.000 2.070 369 E HA -0.353 4.005 4.350 0.014 0.000 0.197 369 E C 1.602 178.246 176.600 0.073 0.000 1.004 369 E CA 1.416 57.837 56.400 0.036 0.000 0.805 369 E CB 0.107 29.842 29.700 0.059 0.000 0.744 369 E HN 0.599 nan 8.360 nan 0.000 0.451 370 Q N -0.386 119.459 119.800 0.074 0.000 2.084 370 Q HA -0.152 4.196 4.340 0.014 0.000 0.202 370 Q C 2.055 178.114 176.000 0.098 0.000 0.978 370 Q CA 2.001 57.857 55.803 0.088 0.000 0.844 370 Q CB -0.036 28.756 28.738 0.089 0.000 0.898 370 Q HN 0.316 nan 8.270 nan 0.000 0.426 371 T N 0.813 115.433 114.554 0.110 0.000 2.777 371 T HA -0.085 4.273 4.350 0.014 0.000 0.266 371 T C 1.870 176.642 174.700 0.120 0.000 1.040 371 T CA 1.201 63.374 62.100 0.122 0.000 1.141 371 T CB -0.092 68.877 68.868 0.170 0.000 0.868 371 T HN 0.279 nan 8.240 nan 0.000 0.444 372 M N 0.435 120.110 119.600 0.126 0.000 2.086 372 M HA -0.089 4.399 4.480 0.014 0.000 0.261 372 M C 2.449 178.871 176.300 0.204 0.000 1.067 372 M CA 1.315 56.758 55.300 0.239 0.000 1.116 372 M CB -0.564 32.218 32.600 0.304 0.000 1.348 372 M HN 0.097 nan 8.290 nan 0.000 0.407 373 V N 0.333 120.310 119.914 0.105 0.000 2.295 373 V HA -0.311 3.817 4.120 0.014 0.000 0.246 373 V C 2.340 178.416 176.094 -0.029 0.000 1.049 373 V CA 2.149 64.444 62.300 -0.009 0.000 1.024 373 V CB -0.851 31.007 31.823 0.058 0.000 0.648 373 V HN 0.564 nan 8.190 nan 0.000 0.447 374 Q N -0.309 119.522 119.800 0.050 0.000 2.077 374 Q HA -0.292 4.057 4.340 0.014 0.000 0.206 374 Q C 1.961 178.018 176.000 0.095 0.000 0.989 374 Q CA 2.348 58.193 55.803 0.071 0.000 0.853 374 Q CB -0.167 28.628 28.738 0.096 0.000 0.907 374 Q HN 0.624 nan 8.270 nan 0.000 0.418 375 D N 0.188 120.661 120.400 0.122 0.000 2.097 375 D HA -0.131 4.517 4.640 0.014 0.000 0.195 375 D C 1.947 178.199 176.300 -0.081 0.000 0.989 375 D CA 1.177 55.250 54.000 0.121 0.000 0.827 375 D CB -0.207 40.647 40.800 0.090 0.000 0.966 375 D HN 0.360 nan 8.370 nan 0.000 0.456 376 I N 0.741 121.258 120.570 -0.087 0.000 2.208 376 I HA -0.248 3.930 4.170 0.014 0.000 0.245 376 I C 2.425 178.393 176.117 -0.249 0.000 1.097 376 I CA 0.699 61.837 61.300 -0.271 0.000 1.363 376 I CB -0.149 37.560 38.000 -0.485 0.000 1.051 376 I HN 0.004 nan 8.210 nan 0.000 0.413 377 L N 0.008 121.123 121.223 -0.181 0.000 2.046 377 L HA -0.222 4.126 4.340 0.014 0.000 0.208 377 L C 2.539 179.458 176.870 0.082 0.000 1.077 377 L CA 1.375 56.195 54.840 -0.033 0.000 0.747 377 L CB -0.567 41.498 42.059 0.009 0.000 0.896 377 L HN 0.297 nan 8.230 nan 0.000 0.432 378 L N -0.990 120.302 121.223 0.114 0.000 2.093 378 L HA -0.215 4.133 4.340 0.014 0.000 0.208 378 L C 2.667 179.679 176.870 0.238 0.000 1.085 378 L CA 1.189 56.180 54.840 0.253 0.000 0.755 378 L CB -0.281 42.046 42.059 0.447 0.000 0.904 378 L HN 0.285 nan 8.230 nan 0.000 0.435 379 M N -0.573 118.987 119.600 -0.066 0.000 2.067 379 M HA -0.236 4.252 4.480 0.014 0.000 0.260 379 M C 2.276 178.650 176.300 0.125 0.000 1.069 379 M CA 1.893 57.088 55.300 -0.175 0.000 1.117 379 M CB -0.311 31.961 32.600 -0.547 0.000 1.334 379 M HN 0.054 nan 8.290 nan 0.000 0.407 380 K N -0.086 120.290 120.400 -0.041 0.000 2.057 380 K HA -0.161 4.167 4.320 0.014 0.000 0.206 380 K C 1.993 178.589 176.600 -0.007 0.000 1.050 380 K CA 1.256 57.424 56.287 -0.199 0.000 0.935 380 K CB -0.180 31.985 32.500 -0.558 0.000 0.715 380 K HN 0.405 nan 8.250 nan 0.000 0.439 381 Q N 0.382 120.318 119.800 0.226 0.000 2.291 381 Q HA -0.044 4.304 4.340 0.014 0.000 0.206 381 Q C 0.706 176.992 176.000 0.477 0.000 0.976 381 Q CA 0.772 56.805 55.803 0.382 0.000 0.875 381 Q CB 0.160 29.102 28.738 0.339 0.000 0.927 381 Q HN 0.256 nan 8.270 nan 0.000 0.450 382 N N 0.614 119.559 118.700 0.407 0.000 2.321 382 N HA 0.053 4.801 4.740 0.014 0.000 0.242 382 N C -0.654 174.978 175.510 0.203 0.000 1.141 382 N CA 0.036 53.327 53.050 0.401 0.000 0.864 382 N CB 0.708 39.513 38.487 0.529 0.000 1.100 382 N HN 0.145 nan 8.380 nan 0.000 0.510 383 N N 0.119 118.940 118.700 0.201 0.000 2.776 383 N HA -0.185 4.564 4.740 0.014 0.000 0.250 383 N C -0.867 174.580 175.510 -0.106 0.000 1.112 383 N CA 0.750 53.879 53.050 0.131 0.000 0.733 383 N CB -1.754 36.721 38.487 -0.020 0.000 1.097 383 N HN 0.253 nan 8.380 nan 0.000 0.558 384 F N 1.042 121.020 119.950 0.047 0.000 2.375 384 F HA 0.301 4.836 4.527 0.013 0.000 0.333 384 F C 1.799 177.599 175.800 -0.001 0.000 1.104 384 F CA -0.512 57.496 58.000 0.013 0.000 1.149 384 F CB 0.764 39.742 39.000 -0.036 0.000 1.190 384 F HN 0.058 nan 8.300 nan 0.000 0.533 385 N N 0.659 119.476 118.700 0.194 0.000 2.160 385 N HA 0.447 5.196 4.740 0.014 0.000 0.226 385 N C -0.838 174.715 175.510 0.072 0.000 1.256 385 N CA 0.013 53.101 53.050 0.064 0.000 0.890 385 N CB 0.743 39.306 38.487 0.128 0.000 1.116 385 N HN 0.485 nan 8.380 nan 0.000 0.517 386 A N -0.565 122.375 122.820 0.199 0.000 2.612 386 A HA 0.740 5.068 4.320 0.014 0.000 0.293 386 A C -1.807 175.993 177.584 0.360 0.000 1.075 386 A CA -0.660 51.558 52.037 0.300 0.000 0.680 386 A CB 1.705 20.899 19.000 0.324 0.000 1.279 386 A HN 0.253 nan 8.150 nan 0.000 0.411 387 V N 0.944 121.127 119.914 0.448 0.000 2.971 387 V HA 0.825 4.954 4.120 0.014 0.000 0.309 387 V C -0.723 175.552 176.094 0.301 0.000 1.130 387 V CA -0.704 61.827 62.300 0.385 0.000 0.964 387 V CB 1.936 33.907 31.823 0.246 0.000 1.029 387 V HN 1.160 nan 8.190 nan 0.000 0.427 388 R N 4.743 125.280 120.500 0.063 0.000 2.338 388 R HA 0.504 4.852 4.340 0.014 0.000 0.317 388 R C -0.779 175.403 176.300 -0.196 0.000 0.968 388 R CA -0.457 55.479 56.100 -0.272 0.000 0.849 388 R CB 1.161 31.074 30.300 -0.644 0.000 1.128 388 R HN 0.820 nan 8.270 nan 0.000 0.448 389 C N 4.456 123.661 119.300 -0.159 0.000 3.183 389 C HA 0.123 4.591 4.460 0.014 0.000 0.545 389 C C 0.484 175.200 174.990 -0.456 0.000 1.044 389 C CA -0.454 58.417 59.018 -0.244 0.000 1.117 389 C CB -2.095 25.612 27.740 -0.055 0.000 1.393 389 C HN 0.724 nan 8.230 nan 0.000 0.611 390 S N 1.384 116.698 115.700 -0.644 0.000 2.488 390 S HA 0.199 4.677 4.470 0.014 0.000 0.278 390 S C -0.128 173.569 174.600 -1.506 0.000 1.259 390 S CA 0.091 57.653 58.200 -1.063 0.000 1.061 390 S CB 0.194 62.686 63.200 -1.179 0.000 0.910 390 S HN 0.726 nan 8.310 nan 0.000 0.491 391 H N 3.555 121.982 119.070 -1.071 0.000 2.511 391 H HA 0.314 4.878 4.556 0.013 0.000 0.228 391 H C -1.254 173.948 175.328 -0.210 0.000 1.424 391 H CA -0.344 55.487 56.048 -0.361 0.000 1.321 391 H CB -0.138 29.618 29.762 -0.010 0.000 1.720 391 H HN 0.888 nan 8.280 nan 0.000 0.512 392 Y N -2.872 117.531 120.300 0.170 0.000 2.687 392 Y HA 0.378 4.937 4.550 0.014 0.000 0.338 392 Y C -3.261 172.747 175.900 0.179 0.000 1.189 392 Y CA -3.051 55.159 58.100 0.183 0.000 1.097 392 Y CB 0.044 38.618 38.460 0.190 0.000 1.342 392 Y HN -0.083 nan 8.280 nan 0.000 0.461 393 P HA 0.110 nan 4.420 nan 0.000 0.265 393 P C -0.571 177.016 177.300 0.478 0.000 1.193 393 P CA 0.299 63.649 63.100 0.417 0.000 0.765 393 P CB 0.548 32.425 31.700 0.296 0.000 0.823 394 N N 0.744 119.740 118.700 0.493 0.000 2.447 394 N HA 0.088 4.836 4.740 0.014 0.000 0.271 394 N C 0.180 175.928 175.510 0.396 0.000 1.226 394 N CA -0.599 52.659 53.050 0.347 0.000 0.980 394 N CB 0.355 38.855 38.487 0.020 0.000 1.206 394 N HN 0.598 nan 8.380 nan 0.000 0.558 395 H N 2.115 121.288 119.070 0.172 0.000 3.038 395 H HA -0.006 4.558 4.556 0.014 0.000 0.338 395 H C -1.616 173.875 175.328 0.271 0.000 1.041 395 H CA -0.681 55.452 56.048 0.141 0.000 1.394 395 H CB 0.991 30.801 29.762 0.080 0.000 1.357 395 H HN 0.430 nan 8.280 nan 0.000 0.600 396 P HA -0.201 nan 4.420 nan 0.000 0.218 396 P C 1.797 179.405 177.300 0.513 0.000 1.148 396 P CA 0.689 64.010 63.100 0.368 0.000 0.822 396 P CB 0.232 32.010 31.700 0.130 0.000 0.784 397 L N -0.959 120.663 121.223 0.666 0.000 2.265 397 L HA -0.038 4.310 4.340 0.014 0.000 0.215 397 L C 2.359 179.423 176.870 0.323 0.000 1.117 397 L CA 1.284 56.379 54.840 0.425 0.000 0.782 397 L CB -1.513 40.733 42.059 0.311 0.000 0.914 397 L HN 0.033 nan 8.230 nan 0.000 0.441 398 W N -0.715 120.627 121.300 0.071 0.000 2.342 398 W HA -0.310 4.358 4.660 0.013 0.000 0.297 398 W C 1.928 178.304 176.519 -0.238 0.000 1.213 398 W CA 1.576 58.828 57.345 -0.156 0.000 1.251 398 W CB -0.235 29.021 29.460 -0.340 0.000 1.136 398 W HN 0.263 nan 8.180 nan 0.000 0.526 399 Y N 0.583 120.820 120.300 -0.106 0.000 2.263 399 Y HA -0.180 4.378 4.550 0.013 0.000 0.292 399 Y C 2.830 178.510 175.900 -0.367 0.000 1.130 399 Y CA 2.087 59.907 58.100 -0.466 0.000 1.179 399 Y CB -1.110 36.720 38.460 -1.049 0.000 0.998 399 Y HN -0.240 nan 8.280 nan 0.000 0.532 400 T N 0.525 115.101 114.554 0.037 0.000 2.777 400 T HA -0.127 4.231 4.350 0.014 0.000 0.266 400 T C 1.981 176.730 174.700 0.083 0.000 1.040 400 T CA 1.226 63.429 62.100 0.173 0.000 1.141 400 T CB -0.469 68.540 68.868 0.235 0.000 0.868 400 T HN 0.229 nan 8.240 nan 0.000 0.444 401 L N 0.351 121.580 121.223 0.009 0.000 2.056 401 L HA -0.073 4.275 4.340 0.014 0.000 0.207 401 L C 2.849 179.701 176.870 -0.030 0.000 1.078 401 L CA 0.839 55.707 54.840 0.046 0.000 0.749 401 L CB -0.692 41.370 42.059 0.006 0.000 0.901 401 L HN 0.362 nan 8.230 nan 0.000 0.433 402 C N -0.164 118.945 119.300 -0.318 0.000 2.425 402 C HA -0.148 4.320 4.460 0.014 0.000 0.277 402 C C 2.415 177.450 174.990 0.076 0.000 1.280 402 C CA 0.436 59.295 59.018 -0.265 0.000 1.744 402 C CB -0.789 26.685 27.740 -0.443 0.000 1.989 402 C HN 0.538 nan 8.230 nan 0.000 0.491 403 D N 0.450 120.912 120.400 0.103 0.000 2.123 403 D HA -0.105 4.544 4.640 0.014 0.000 0.196 403 D C 2.399 178.926 176.300 0.378 0.000 0.992 403 D CA 1.252 55.404 54.000 0.253 0.000 0.833 403 D CB -0.322 40.584 40.800 0.176 0.000 0.954 403 D HN 0.533 nan 8.370 nan 0.000 0.455 404 R N -1.084 119.524 120.500 0.181 0.000 2.100 404 R HA 0.011 4.359 4.340 0.014 0.000 0.220 404 R C 2.084 178.365 176.300 -0.033 0.000 1.091 404 R CA 0.529 56.668 56.100 0.065 0.000 0.986 404 R CB -0.147 30.119 30.300 -0.056 0.000 0.888 404 R HN 0.246 nan 8.270 nan 0.000 0.444 405 Y N -0.021 120.286 120.300 0.011 0.000 2.420 405 Y HA 0.189 4.747 4.550 0.013 0.000 0.292 405 Y C 0.991 176.808 175.900 -0.138 0.000 1.119 405 Y CA 0.923 58.999 58.100 -0.041 0.000 1.229 405 Y CB 0.562 38.972 38.460 -0.083 0.000 1.026 405 Y HN 0.236 nan 8.280 nan 0.000 0.554 406 G N 1.073 109.897 108.800 0.039 0.000 2.830 406 G HA2 -0.139 3.829 3.960 0.014 0.000 0.298 406 G HA3 -0.139 3.829 3.960 0.014 0.000 0.298 406 G C -1.150 173.582 174.900 -0.280 0.000 1.031 406 G CA -0.491 44.494 45.100 -0.192 0.000 1.179 406 G HN 0.166 nan 8.290 nan 0.000 0.527 407 L N 1.240 122.373 121.223 -0.150 0.000 2.455 407 L HA 0.504 4.852 4.340 0.014 0.000 0.264 407 L C -0.338 176.547 176.870 0.025 0.000 0.968 407 L CA -1.411 53.311 54.840 -0.196 0.000 0.827 407 L CB 1.845 43.814 42.059 -0.150 0.000 1.317 407 L HN 0.360 nan 8.230 nan 0.000 0.407 408 Y N 1.859 122.291 120.300 0.221 0.000 2.359 408 Y HA 0.366 4.926 4.550 0.016 0.000 0.330 408 Y C 0.287 176.320 175.900 0.222 0.000 1.143 408 Y CA -0.487 57.779 58.100 0.277 0.000 1.318 408 Y CB 0.920 39.520 38.460 0.233 0.000 1.234 408 Y HN 0.107 nan 8.280 nan 0.000 0.522 409 V N 4.066 124.173 119.914 0.321 0.000 2.604 409 V HA 0.396 4.524 4.120 0.014 0.000 0.305 409 V C -0.598 175.582 176.094 0.143 0.000 1.043 409 V CA -1.087 61.342 62.300 0.215 0.000 0.888 409 V CB 2.081 33.988 31.823 0.140 0.000 0.995 409 V HN 0.467 nan 8.190 nan 0.000 0.429 410 V N 3.387 123.357 119.914 0.093 0.000 2.350 410 V HA 0.328 4.456 4.120 0.014 0.000 0.276 410 V C -0.313 175.817 176.094 0.060 0.000 1.028 410 V CA -0.330 61.971 62.300 0.001 0.000 0.860 410 V CB 1.503 33.213 31.823 -0.187 0.000 0.990 410 V HN 0.893 nan 8.190 nan 0.000 0.453 411 D N 4.223 124.696 120.400 0.121 0.000 2.225 411 D HA 0.367 5.015 4.640 0.014 0.000 0.248 411 D C -0.296 176.190 176.300 0.310 0.000 1.096 411 D CA -0.130 54.038 54.000 0.280 0.000 0.863 411 D CB 1.397 42.400 40.800 0.338 0.000 1.156 411 D HN 0.691 nan 8.370 nan 0.000 0.450 412 E N 1.897 122.250 120.200 0.255 0.000 2.234 412 E HA 0.632 4.990 4.350 0.014 0.000 0.266 412 E C -1.161 175.577 176.600 0.229 0.000 0.877 412 E CA -1.053 55.481 56.400 0.223 0.000 0.758 412 E CB 1.398 31.180 29.700 0.137 0.000 1.170 412 E HN 0.443 nan 8.360 nan 0.000 0.415 413 A N 3.722 126.669 122.820 0.213 0.000 2.445 413 A HA 0.100 4.429 4.320 0.014 0.000 0.242 413 A C 0.324 178.033 177.584 0.208 0.000 1.075 413 A CA -0.270 51.873 52.037 0.178 0.000 0.777 413 A CB 0.177 19.246 19.000 0.114 0.000 1.013 413 A HN 0.698 nan 8.150 nan 0.000 0.493 414 N N 1.163 119.994 118.700 0.218 0.000 3.103 414 N HA 0.229 4.978 4.740 0.014 0.000 0.305 414 N C -1.044 174.596 175.510 0.217 0.000 1.232 414 N CA 0.210 53.422 53.050 0.270 0.000 1.190 414 N CB -0.891 37.756 38.487 0.268 0.000 1.461 414 N HN 0.474 nan 8.380 nan 0.000 0.538 415 I N 0.846 121.537 120.570 0.202 0.000 2.476 415 I HA 0.277 4.455 4.170 0.014 0.000 0.281 415 I C -0.490 175.728 176.117 0.169 0.000 1.040 415 I CA -0.619 60.783 61.300 0.170 0.000 1.094 415 I CB 1.613 39.688 38.000 0.124 0.000 1.219 415 I HN 0.213 nan 8.210 nan 0.000 0.450 416 E N 4.315 124.611 120.200 0.161 0.000 2.274 416 E HA 0.414 4.772 4.350 0.014 0.000 0.269 416 E C -0.568 176.097 176.600 0.108 0.000 0.891 416 E CA -0.528 55.938 56.400 0.109 0.000 0.784 416 E CB 1.647 31.397 29.700 0.084 0.000 1.225 416 E HN 0.574 nan 8.360 nan 0.000 0.412 417 T N 0.639 115.246 114.554 0.088 0.000 3.448 417 T HA 0.179 4.537 4.350 0.014 0.000 0.271 417 T C 0.781 175.526 174.700 0.075 0.000 1.002 417 T CA -0.356 61.821 62.100 0.128 0.000 0.995 417 T CB -0.267 68.662 68.868 0.101 0.000 1.153 417 T HN 0.661 nan 8.240 nan 0.000 0.510 418 H N 1.145 120.128 119.070 -0.146 0.000 2.387 418 H HA -0.004 4.560 4.556 0.015 0.000 0.299 418 H C 2.343 177.545 175.328 -0.211 0.000 1.099 418 H CA 1.253 57.189 56.048 -0.187 0.000 1.315 418 H CB -0.123 29.489 29.762 -0.249 0.000 1.380 418 H HN 0.591 nan 8.280 nan 0.000 0.513 419 G N 0.142 108.794 108.800 -0.247 0.000 2.776 419 G HA2 -0.057 3.912 3.960 0.014 0.000 0.209 419 G HA3 -0.057 3.912 3.960 0.014 0.000 0.209 419 G C 0.465 175.476 174.900 0.185 0.000 1.145 419 G CA -0.100 44.873 45.100 -0.212 0.000 0.791 419 G HN 0.144 nan 8.290 nan 0.000 0.530 420 M N 0.241 119.992 119.600 0.252 0.000 2.202 420 M HA 0.351 4.840 4.480 0.014 0.000 0.316 420 M C -0.362 175.980 176.300 0.071 0.000 1.138 420 M CA -0.366 55.044 55.300 0.183 0.000 1.151 420 M CB 1.428 34.087 32.600 0.097 0.000 1.422 420 M HN -0.215 nan 8.290 nan 0.000 0.471 421 V N 3.607 123.542 119.914 0.034 0.000 2.482 421 V HA 0.380 4.508 4.120 0.014 0.000 0.295 421 V C -1.980 174.111 176.094 -0.006 0.000 1.026 421 V CA -1.302 61.001 62.300 0.006 0.000 0.856 421 V CB 1.905 33.726 31.823 -0.004 0.000 1.001 421 V HN 0.731 nan 8.190 nan 0.000 0.424 422 P HA 0.235 nan 4.420 nan 0.000 0.277 422 P C 0.980 178.285 177.300 0.008 0.000 1.276 422 P CA -0.486 62.612 63.100 -0.004 0.000 0.788 422 P CB 0.978 32.676 31.700 -0.004 0.000 1.114 423 M N 0.475 120.084 119.600 0.014 0.000 2.279 423 M HA -0.157 4.331 4.480 0.014 0.000 0.264 423 M C 1.169 177.493 176.300 0.039 0.000 1.062 423 M CA 1.696 57.013 55.300 0.029 0.000 1.099 423 M CB -0.462 32.143 32.600 0.008 0.000 1.394 423 M HN 0.359 nan 8.290 nan 0.000 0.426 424 N N -0.092 118.631 118.700 0.039 0.000 2.313 424 N HA -0.069 4.680 4.740 0.014 0.000 0.207 424 N C 1.105 176.602 175.510 -0.022 0.000 1.141 424 N CA 0.119 53.195 53.050 0.044 0.000 0.830 424 N CB -0.694 37.839 38.487 0.075 0.000 1.008 424 N HN 0.365 nan 8.380 nan 0.000 0.481 425 R N 0.411 120.885 120.500 -0.043 0.000 2.103 425 R HA -0.003 4.345 4.340 0.014 0.000 0.242 425 R C 1.480 177.689 176.300 -0.152 0.000 1.142 425 R CA 1.329 57.380 56.100 -0.082 0.000 0.960 425 R CB -0.030 30.220 30.300 -0.083 0.000 0.858 425 R HN 0.280 nan 8.270 nan 0.000 0.439 426 L N -0.603 120.471 121.223 -0.249 0.000 2.202 426 L HA -0.015 4.333 4.340 0.014 0.000 0.205 426 L C 2.494 179.229 176.870 -0.225 0.000 1.083 426 L CA 1.344 55.917 54.840 -0.444 0.000 0.790 426 L CB -0.510 41.052 42.059 -0.827 0.000 0.942 426 L HN 0.377 nan 8.230 nan 0.000 0.452 427 T N -4.374 110.083 114.554 -0.162 0.000 3.035 427 T HA -0.159 4.199 4.350 0.014 0.000 0.268 427 T C 1.288 175.905 174.700 -0.139 0.000 1.109 427 T CA 1.137 63.129 62.100 -0.181 0.000 1.119 427 T CB -0.203 68.522 68.868 -0.238 0.000 0.900 427 T HN 0.091 nan 8.240 nan 0.000 0.503 428 D N 1.206 121.559 120.400 -0.077 0.000 2.339 428 D HA 0.106 4.754 4.640 0.014 0.000 0.217 428 D C -0.217 176.066 176.300 -0.029 0.000 1.050 428 D CA -0.176 53.789 54.000 -0.058 0.000 0.856 428 D CB -0.112 40.660 40.800 -0.047 0.000 0.922 428 D HN 0.347 nan 8.370 nan 0.000 0.518 429 D N -0.148 120.250 120.400 -0.003 0.000 2.274 429 D HA 0.118 4.766 4.640 0.014 0.000 0.239 429 D C -1.633 174.718 176.300 0.086 0.000 1.104 429 D CA -2.222 51.812 54.000 0.057 0.000 0.840 429 D CB 1.978 42.856 40.800 0.130 0.000 1.100 429 D HN -0.039 nan 8.370 nan 0.000 0.477 430 P HA -0.117 nan 4.420 nan 0.000 0.221 430 P C 0.904 178.210 177.300 0.010 0.000 1.145 430 P CA 0.750 63.861 63.100 0.018 0.000 0.795 430 P CB 0.298 31.996 31.700 -0.002 0.000 0.775 431 R N -1.887 118.628 120.500 0.025 0.000 2.235 431 R HA -0.054 4.294 4.340 0.014 0.000 0.213 431 R C 1.433 177.619 176.300 -0.189 0.000 1.059 431 R CA 0.997 57.047 56.100 -0.083 0.000 0.997 431 R CB -0.484 29.754 30.300 -0.104 0.000 0.884 431 R HN 0.325 nan 8.270 nan 0.000 0.462 432 W N -0.255 120.993 121.300 -0.087 0.000 3.220 432 W HA 0.149 4.817 4.660 0.013 0.000 0.328 432 W C 1.435 177.899 176.519 -0.093 0.000 1.205 432 W CA -0.520 56.773 57.345 -0.086 0.000 1.773 432 W CB 0.138 29.546 29.460 -0.086 0.000 1.086 432 W HN -0.004 nan 8.180 nan 0.000 0.622 433 L N 1.985 123.237 121.223 0.048 0.000 2.046 433 L HA -0.020 4.328 4.340 0.014 0.000 0.208 433 L C -0.725 176.113 176.870 -0.053 0.000 1.077 433 L CA 2.190 57.021 54.840 -0.014 0.000 0.747 433 L CB -1.589 40.450 42.059 -0.033 0.000 0.896 433 L HN -0.238 nan 8.230 nan 0.000 0.432 434 P HA -0.183 nan 4.420 nan 0.000 0.214 434 P C 1.605 178.851 177.300 -0.090 0.000 1.163 434 P CA 2.288 65.326 63.100 -0.103 0.000 0.889 434 P CB -0.201 31.426 31.700 -0.122 0.000 0.790 435 A N -1.324 121.454 122.820 -0.071 0.000 1.933 435 A HA -0.190 4.138 4.320 0.014 0.000 0.218 435 A C 2.222 179.821 177.584 0.025 0.000 1.175 435 A CA 1.847 53.875 52.037 -0.014 0.000 0.628 435 A CB -1.448 17.566 19.000 0.024 0.000 0.814 435 A HN 0.105 nan 8.150 nan 0.000 0.444 436 M N 0.243 119.871 119.600 0.046 0.000 2.117 436 M HA -0.161 4.328 4.480 0.014 0.000 0.262 436 M C 2.583 178.839 176.300 -0.075 0.000 1.065 436 M CA 1.750 57.056 55.300 0.011 0.000 1.114 436 M CB -0.432 32.153 32.600 -0.026 0.000 1.361 436 M HN 0.679 nan 8.290 nan 0.000 0.408 437 S N 0.639 116.263 115.700 -0.125 0.000 2.372 437 S HA -0.235 4.243 4.470 0.014 0.000 0.227 437 S C 1.583 176.016 174.600 -0.278 0.000 1.044 437 S CA 1.842 59.901 58.200 -0.236 0.000 1.050 437 S CB -0.734 62.306 63.200 -0.267 0.000 0.901 437 S HN 0.561 nan 8.310 nan 0.000 0.447 438 E N 0.818 120.902 120.200 -0.193 0.000 2.268 438 E HA -0.041 4.317 4.350 0.014 0.000 0.195 438 E C 2.390 178.904 176.600 -0.144 0.000 0.995 438 E CA 0.717 57.007 56.400 -0.184 0.000 0.836 438 E CB -0.128 29.502 29.700 -0.116 0.000 0.763 438 E HN 0.578 nan 8.360 nan 0.000 0.491 439 R N 0.051 120.497 120.500 -0.090 0.000 2.148 439 R HA -0.047 4.302 4.340 0.014 0.000 0.223 439 R C 2.155 178.417 176.300 -0.063 0.000 1.088 439 R CA 0.527 56.607 56.100 -0.034 0.000 0.985 439 R CB 0.131 30.451 30.300 0.033 0.000 0.880 439 R HN 0.014 nan 8.270 nan 0.000 0.451 440 V N 0.036 119.866 119.914 -0.139 0.000 2.374 440 V HA -0.170 3.958 4.120 0.014 0.000 0.241 440 V C 2.445 178.363 176.094 -0.292 0.000 1.034 440 V CA 2.120 64.318 62.300 -0.171 0.000 1.037 440 V CB -0.171 31.543 31.823 -0.181 0.000 0.682 440 V HN 0.501 nan 8.190 nan 0.000 0.463 441 T N -0.765 113.495 114.554 -0.490 0.000 2.746 441 T HA -0.237 4.121 4.350 0.014 0.000 0.267 441 T C 1.926 176.462 174.700 -0.273 0.000 1.039 441 T CA 1.387 63.118 62.100 -0.614 0.000 1.142 441 T CB -0.422 67.880 68.868 -0.943 0.000 0.866 441 T HN 0.386 nan 8.240 nan 0.000 0.444 442 R N 0.328 120.693 120.500 -0.224 0.000 2.189 442 R HA 0.197 4.545 4.340 0.014 0.000 0.223 442 R C 2.620 178.836 176.300 -0.140 0.000 1.092 442 R CA 1.301 57.304 56.100 -0.160 0.000 0.989 442 R CB -0.448 29.768 30.300 -0.139 0.000 0.876 442 R HN 0.517 nan 8.270 nan 0.000 0.457 443 M N 0.480 120.004 119.600 -0.126 0.000 2.156 443 M HA -0.114 4.375 4.480 0.014 0.000 0.264 443 M C 1.777 177.990 176.300 -0.145 0.000 1.067 443 M CA 1.591 56.846 55.300 -0.075 0.000 1.131 443 M CB 0.137 32.744 32.600 0.012 0.000 1.368 443 M HN -0.034 nan 8.290 nan 0.000 0.416 444 V N 1.312 121.024 119.914 -0.337 0.000 2.343 444 V HA -0.282 3.846 4.120 0.014 0.000 0.247 444 V C 2.303 178.270 176.094 -0.211 0.000 1.051 444 V CA 2.019 63.978 62.300 -0.568 0.000 1.036 444 V CB -0.971 30.499 31.823 -0.588 0.000 0.654 444 V HN 0.595 nan 8.190 nan 0.000 0.451 445 Q N -0.523 119.190 119.800 -0.145 0.000 2.135 445 Q HA -0.249 4.099 4.340 0.014 0.000 0.204 445 Q C 2.465 178.368 176.000 -0.162 0.000 0.981 445 Q CA 1.767 57.492 55.803 -0.129 0.000 0.856 445 Q CB -0.222 28.461 28.738 -0.093 0.000 0.902 445 Q HN 0.538 nan 8.270 nan 0.000 0.425 446 R N 0.313 120.713 120.500 -0.167 0.000 2.080 446 R HA -0.092 4.257 4.340 0.014 0.000 0.222 446 R C 0.638 176.863 176.300 -0.126 0.000 1.107 446 R CA 1.320 57.298 56.100 -0.202 0.000 0.980 446 R CB 0.381 30.568 30.300 -0.189 0.000 0.879 446 R HN 0.161 nan 8.270 nan 0.000 0.439 447 D N -0.173 120.217 120.400 -0.016 0.000 2.369 447 D HA -0.014 4.635 4.640 0.014 0.000 0.211 447 D C 1.318 177.736 176.300 0.197 0.000 1.077 447 D CA 0.146 54.193 54.000 0.078 0.000 0.842 447 D CB 0.206 41.004 40.800 -0.003 0.000 0.947 447 D HN 0.365 nan 8.370 nan 0.000 0.509 448 R N 0.652 121.281 120.500 0.215 0.000 2.249 448 R HA -0.017 4.331 4.340 0.014 0.000 0.230 448 R C 0.737 177.045 176.300 0.014 0.000 1.121 448 R CA 0.912 57.149 56.100 0.229 0.000 0.997 448 R CB -0.300 30.066 30.300 0.111 0.000 0.867 448 R HN -0.057 nan 8.270 nan 0.000 0.465 449 N N 0.172 118.806 118.700 -0.110 0.000 2.280 449 N HA 0.007 4.755 4.740 0.014 0.000 0.192 449 N C -0.503 174.876 175.510 -0.218 0.000 1.109 449 N CA 0.178 53.132 53.050 -0.161 0.000 0.855 449 N CB 0.126 38.498 38.487 -0.192 0.000 0.974 449 N HN 0.278 nan 8.380 nan 0.000 0.482 450 H N 1.541 120.548 119.070 -0.105 0.000 2.819 450 H HA 0.093 4.657 4.556 0.013 0.000 0.303 450 H C -1.187 173.986 175.328 -0.257 0.000 1.058 450 H CA -1.092 54.876 56.048 -0.133 0.000 1.471 450 H CB 1.492 31.206 29.762 -0.079 0.000 1.480 450 H HN 0.058 nan 8.280 nan 0.000 0.517 451 P HA -0.141 nan 4.420 nan 0.000 0.221 451 P C 1.431 178.233 177.300 -0.829 0.000 1.150 451 P CA 1.026 63.756 63.100 -0.617 0.000 0.800 451 P CB 0.283 31.347 31.700 -1.059 0.000 0.787 452 S N -0.745 114.584 115.700 -0.617 0.000 2.419 452 S HA -0.045 4.434 4.470 0.014 0.000 0.233 452 S C 1.111 175.654 174.600 -0.095 0.000 1.016 452 S CA 0.397 58.382 58.200 -0.358 0.000 0.974 452 S CB -1.517 61.676 63.200 -0.012 0.000 0.786 452 S HN -0.065 nan 8.310 nan 0.000 0.492 453 V N 3.657 123.496 119.914 -0.124 0.000 2.439 453 V HA 0.228 4.356 4.120 0.014 0.000 0.271 453 V C 1.131 177.071 176.094 -0.257 0.000 1.040 453 V CA 0.053 62.249 62.300 -0.173 0.000 1.002 453 V CB 0.391 32.010 31.823 -0.340 0.000 1.000 453 V HN 0.637 nan 8.190 nan 0.000 0.477 454 I N 2.578 123.052 120.570 -0.159 0.000 4.187 454 I HA 0.512 4.690 4.170 0.014 0.000 0.326 454 I C 0.377 176.379 176.117 -0.193 0.000 1.302 454 I CA 0.538 61.758 61.300 -0.133 0.000 1.196 454 I CB 0.526 38.530 38.000 0.006 0.000 1.095 454 I HN 0.330 nan 8.210 nan 0.000 0.411 455 I N 0.226 120.660 120.570 -0.227 0.000 2.656 455 I HA 0.350 4.529 4.170 0.014 0.000 0.292 455 I C -1.566 174.452 176.117 -0.165 0.000 1.144 455 I CA -0.399 60.809 61.300 -0.153 0.000 1.038 455 I CB 2.069 40.072 38.000 0.005 0.000 1.244 455 I HN 0.032 nan 8.210 nan 0.000 0.420 456 W N 3.954 125.299 121.300 0.075 0.000 2.438 456 W HA 0.614 5.281 4.660 0.011 0.000 0.324 456 W C 0.435 177.015 176.519 0.102 0.000 1.119 456 W CA -0.592 56.803 57.345 0.084 0.000 1.221 456 W CB 1.677 31.182 29.460 0.075 0.000 1.253 456 W HN 0.320 nan 8.180 nan 0.000 0.555 457 S N 2.686 118.611 115.700 0.376 0.000 2.500 457 S HA 0.403 4.882 4.470 0.014 0.000 0.301 457 S C 0.187 174.952 174.600 0.276 0.000 1.092 457 S CA -0.725 57.646 58.200 0.286 0.000 1.030 457 S CB 0.840 64.162 63.200 0.204 0.000 1.031 457 S HN 0.576 nan 8.310 nan 0.000 0.483 458 L N 4.077 125.455 121.223 0.258 0.000 2.650 458 L HA 0.342 4.690 4.340 0.014 0.000 0.235 458 L C 1.380 178.312 176.870 0.104 0.000 1.149 458 L CA 0.489 55.401 54.840 0.120 0.000 0.887 458 L CB -1.203 40.821 42.059 -0.058 0.000 1.021 458 L HN 1.010 nan 8.230 nan 0.000 0.441 459 G N 0.065 109.007 108.800 0.237 0.000 2.280 459 G HA2 -0.135 3.833 3.960 0.014 0.000 0.277 459 G HA3 -0.135 3.833 3.960 0.014 0.000 0.277 459 G C -1.607 173.482 174.900 0.315 0.000 1.288 459 G CA -0.513 44.731 45.100 0.241 0.000 1.075 459 G HN 0.200 nan 8.290 nan 0.000 0.480 460 N N -0.023 118.804 118.700 0.211 0.000 2.405 460 N HA 0.479 5.227 4.740 0.014 0.000 0.274 460 N C -0.403 175.059 175.510 -0.081 0.000 1.170 460 N CA 0.163 53.205 53.050 -0.014 0.000 0.848 460 N CB 1.586 39.810 38.487 -0.438 0.000 1.629 460 N HN 0.925 nan 8.380 nan 0.000 0.481 461 E N 0.503 120.557 120.200 -0.244 0.000 2.183 461 E HA -0.172 4.186 4.350 0.014 0.000 0.196 461 E C -0.866 175.623 176.600 -0.186 0.000 1.364 461 E CA 0.822 56.983 56.400 -0.399 0.000 0.700 461 E CB -1.374 27.831 29.700 -0.825 0.000 1.106 461 E HN 0.446 nan 8.360 nan 0.000 0.347 462 S N -0.060 115.682 115.700 0.070 0.000 2.902 462 S HA 0.412 4.890 4.470 0.014 0.000 0.250 462 S C 0.610 175.369 174.600 0.266 0.000 1.046 462 S CA -0.190 58.120 58.200 0.183 0.000 1.069 462 S CB 1.402 64.771 63.200 0.281 0.000 0.967 462 S HN 0.838 nan 8.310 nan 0.000 0.530 463 G N 2.019 110.900 108.800 0.135 0.000 2.641 463 G HA2 -0.269 3.700 3.960 0.014 0.000 0.254 463 G HA3 -0.269 3.700 3.960 0.014 0.000 0.254 463 G C -0.503 174.592 174.900 0.324 0.000 1.315 463 G CA -0.109 45.083 45.100 0.153 0.000 0.907 463 G HN 0.678 nan 8.290 nan 0.000 0.572 464 H N 0.364 119.548 119.070 0.190 0.000 2.800 464 H HA 0.574 5.138 4.556 0.014 0.000 0.322 464 H C 0.372 175.872 175.328 0.287 0.000 0.979 464 H CA -0.171 56.039 56.048 0.269 0.000 1.277 464 H CB 0.556 30.407 29.762 0.148 0.000 1.484 464 H HN 1.003 nan 8.280 nan 0.000 0.512 465 G N 1.581 110.550 108.800 0.282 0.000 2.511 465 G HA2 0.445 4.413 3.960 0.014 0.000 0.318 465 G HA3 0.445 4.413 3.960 0.014 0.000 0.318 465 G C 0.609 175.437 174.900 -0.120 0.000 1.210 465 G CA -0.176 44.893 45.100 -0.052 0.000 0.969 465 G HN 0.688 nan 8.290 nan 0.000 0.484 466 A N 0.438 123.184 122.820 -0.124 0.000 2.070 466 A HA -0.085 4.244 4.320 0.014 0.000 0.220 466 A C 2.083 179.651 177.584 -0.027 0.000 1.159 466 A CA 1.692 53.690 52.037 -0.066 0.000 0.656 466 A CB -0.373 18.602 19.000 -0.042 0.000 0.800 466 A HN 0.530 nan 8.150 nan 0.000 0.453 467 N N -0.238 118.408 118.700 -0.091 0.000 2.289 467 N HA -0.132 4.616 4.740 0.014 0.000 0.184 467 N C 1.310 176.763 175.510 -0.096 0.000 1.016 467 N CA 1.572 54.555 53.050 -0.113 0.000 0.872 467 N CB -0.616 37.761 38.487 -0.184 0.000 0.973 467 N HN 0.786 nan 8.380 nan 0.000 0.433 468 H N 0.221 119.296 119.070 0.007 0.000 2.357 468 H HA 0.005 4.569 4.556 0.014 0.000 0.301 468 H C 1.235 176.637 175.328 0.123 0.000 1.082 468 H CA 1.164 57.221 56.048 0.015 0.000 1.342 468 H CB 0.209 29.999 29.762 0.046 0.000 1.389 468 H HN 0.181 nan 8.280 nan 0.000 0.511 469 D N 0.366 120.929 120.400 0.272 0.000 2.117 469 D HA -0.101 4.547 4.640 0.014 0.000 0.198 469 D C 2.290 178.742 176.300 0.254 0.000 0.982 469 D CA 1.106 55.261 54.000 0.258 0.000 0.828 469 D CB -0.291 40.630 40.800 0.202 0.000 0.967 469 D HN 0.414 nan 8.370 nan 0.000 0.464 470 A N 0.886 123.805 122.820 0.164 0.000 1.902 470 A HA -0.114 4.215 4.320 0.014 0.000 0.217 470 A C 2.403 180.094 177.584 0.179 0.000 1.181 470 A CA 0.901 53.025 52.037 0.145 0.000 0.623 470 A CB -0.713 18.330 19.000 0.071 0.000 0.818 470 A HN 0.188 nan 8.150 nan 0.000 0.443 471 L N -2.210 119.103 121.223 0.150 0.000 2.109 471 L HA -0.137 4.212 4.340 0.014 0.000 0.207 471 L C 2.556 179.567 176.870 0.235 0.000 1.086 471 L CA 1.469 56.398 54.840 0.148 0.000 0.760 471 L CB -0.725 41.353 42.059 0.032 0.000 0.910 471 L HN 0.572 nan 8.230 nan 0.000 0.437 472 Y N 1.359 121.739 120.300 0.134 0.000 2.128 472 Y HA -0.339 4.218 4.550 0.011 0.000 0.284 472 Y C 2.835 178.816 175.900 0.134 0.000 1.154 472 Y CA 1.816 59.997 58.100 0.136 0.000 1.149 472 Y CB -0.194 38.347 38.460 0.134 0.000 0.976 472 Y HN -0.036 nan 8.280 nan 0.000 0.505 473 R N -0.166 120.462 120.500 0.213 0.000 2.081 473 R HA -0.218 4.131 4.340 0.014 0.000 0.235 473 R C 2.063 178.375 176.300 0.020 0.000 1.131 473 R CA 1.997 58.143 56.100 0.077 0.000 0.960 473 R CB -1.489 28.925 30.300 0.191 0.000 0.856 473 R HN 0.658 nan 8.270 nan 0.000 0.436 474 W N 0.360 121.620 121.300 -0.067 0.000 2.335 474 W HA -0.135 4.534 4.660 0.014 0.000 0.311 474 W C 1.671 178.099 176.519 -0.151 0.000 1.213 474 W CA 1.903 59.193 57.345 -0.092 0.000 1.274 474 W CB -0.243 29.167 29.460 -0.083 0.000 1.148 474 W HN 0.076 nan 8.180 nan 0.000 0.498 475 I N 0.790 121.380 120.570 0.035 0.000 2.179 475 I HA -0.336 3.842 4.170 0.014 0.000 0.242 475 I C 2.405 178.328 176.117 -0.324 0.000 1.088 475 I CA 1.296 62.454 61.300 -0.237 0.000 1.357 475 I CB -0.696 37.229 38.000 -0.126 0.000 1.051 475 I HN -0.126 nan 8.210 nan 0.000 0.409 476 K N 0.467 120.680 120.400 -0.312 0.000 2.152 476 K HA -0.104 4.225 4.320 0.014 0.000 0.206 476 K C 2.242 178.702 176.600 -0.234 0.000 1.048 476 K CA 1.160 57.282 56.287 -0.275 0.000 0.933 476 K CB -0.429 31.869 32.500 -0.337 0.000 0.721 476 K HN 0.217 nan 8.250 nan 0.000 0.447 477 S N 0.486 116.014 115.700 -0.287 0.000 2.377 477 S HA -0.037 4.441 4.470 0.014 0.000 0.223 477 S C 2.085 176.472 174.600 -0.355 0.000 1.030 477 S CA 0.641 58.676 58.200 -0.275 0.000 0.970 477 S CB 0.073 63.106 63.200 -0.278 0.000 0.830 477 S HN 0.003 nan 8.310 nan 0.000 0.473 478 V N 1.035 120.598 119.914 -0.586 0.000 2.591 478 V HA 0.024 4.152 4.120 0.014 0.000 0.249 478 V C 0.440 176.300 176.094 -0.391 0.000 1.053 478 V CA 1.178 63.104 62.300 -0.623 0.000 1.068 478 V CB -0.156 30.947 31.823 -1.199 0.000 0.689 478 V HN 0.375 nan 8.190 nan 0.000 0.462 479 D N -0.789 119.431 120.400 -0.299 0.000 2.364 479 D HA 0.234 4.882 4.640 0.014 0.000 0.251 479 D C -2.147 174.141 176.300 -0.020 0.000 1.282 479 D CA -1.645 52.289 54.000 -0.109 0.000 0.927 479 D CB 1.625 42.437 40.800 0.020 0.000 1.267 479 D HN 0.097 nan 8.370 nan 0.000 0.531 480 P HA -0.029 nan 4.420 nan 0.000 0.242 480 P C 1.077 178.396 177.300 0.032 0.000 1.197 480 P CA 0.385 63.478 63.100 -0.011 0.000 0.765 480 P CB 0.127 31.812 31.700 -0.024 0.000 0.936 481 S N -1.070 114.660 115.700 0.050 0.000 2.522 481 S HA 0.047 4.525 4.470 0.014 0.000 0.227 481 S C 0.908 175.536 174.600 0.046 0.000 0.986 481 S CA -0.106 58.127 58.200 0.055 0.000 0.929 481 S CB -0.385 62.842 63.200 0.046 0.000 0.769 481 S HN 0.093 nan 8.310 nan 0.000 0.529 482 R N 1.237 121.778 120.500 0.067 0.000 2.575 482 R HA 0.540 4.888 4.340 0.014 0.000 0.293 482 R C -3.192 173.158 176.300 0.084 0.000 0.983 482 R CA -2.291 53.814 56.100 0.009 0.000 0.887 482 R CB 1.418 31.597 30.300 -0.202 0.000 1.184 482 R HN 0.139 nan 8.270 nan 0.000 0.445 483 P HA 0.019 nan 4.420 nan 0.000 0.269 483 P C -0.786 176.617 177.300 0.171 0.000 1.217 483 P CA -0.252 62.908 63.100 0.100 0.000 0.783 483 P CB 0.620 32.365 31.700 0.074 0.000 0.898 484 V N 2.455 122.499 119.914 0.216 0.000 2.495 484 V HA 0.393 4.521 4.120 0.014 0.000 0.298 484 V C 0.200 176.476 176.094 0.303 0.000 1.031 484 V CA -0.336 62.141 62.300 0.294 0.000 0.871 484 V CB 1.260 33.242 31.823 0.265 0.000 0.988 484 V HN 0.600 nan 8.190 nan 0.000 0.432 485 Q N 3.716 123.671 119.800 0.260 0.000 2.416 485 Q HA 0.822 5.170 4.340 0.014 0.000 0.279 485 Q C -1.809 174.343 176.000 0.254 0.000 1.101 485 Q CA -0.935 54.984 55.803 0.194 0.000 0.830 485 Q CB 3.009 31.807 28.738 0.100 0.000 1.402 485 Q HN 0.635 nan 8.270 nan 0.000 0.445 486 Y N -0.131 120.165 120.300 -0.006 0.000 2.409 486 Y HA 0.145 4.702 4.550 0.012 0.000 0.321 486 Y C -0.722 175.103 175.900 -0.124 0.000 1.209 486 Y CA -0.751 57.311 58.100 -0.063 0.000 1.086 486 Y CB 2.021 40.426 38.460 -0.092 0.000 1.320 486 Y HN 0.955 nan 8.280 nan 0.000 0.440 487 E N 3.281 122.974 120.200 -0.844 0.000 2.415 487 E HA 0.162 4.521 4.350 0.014 0.000 0.197 487 E C 0.604 176.762 176.600 -0.736 0.000 1.007 487 E CA 0.599 56.631 56.400 -0.614 0.000 0.890 487 E CB 0.347 29.800 29.700 -0.411 0.000 0.891 487 E HN 0.889 nan 8.360 nan 0.000 0.496 488 G N 0.061 108.019 108.800 -1.403 0.000 2.474 488 G HA2 0.225 4.193 3.960 0.014 0.000 0.233 488 G HA3 0.225 4.193 3.960 0.014 0.000 0.233 488 G C 0.797 175.520 174.900 -0.296 0.000 1.278 488 G CA 0.267 44.913 45.100 -0.757 0.000 0.861 488 G HN 0.319 nan 8.290 nan 0.000 0.567 489 G N -0.343 108.405 108.800 -0.086 0.000 2.198 489 G HA2 0.232 4.200 3.960 0.014 0.000 0.260 489 G HA3 0.232 4.200 3.960 0.014 0.000 0.260 489 G C 1.244 176.159 174.900 0.026 0.000 1.025 489 G CA 1.017 46.141 45.100 0.041 0.000 0.769 489 G HN 2.597 nan 8.290 nan 0.000 0.507 490 G N -1.732 107.075 108.800 0.011 0.000 2.229 490 G HA2 0.423 4.392 3.960 0.014 0.000 0.189 490 G HA3 0.423 4.392 3.960 0.014 0.000 0.189 490 G C 1.063 176.084 174.900 0.202 0.000 1.000 490 G CA 1.320 46.493 45.100 0.121 0.000 0.663 490 G HN 2.346 nan 8.290 nan 0.000 0.493 491 A N -0.203 122.613 122.820 -0.006 0.000 3.413 491 A HA -0.107 4.221 4.320 0.014 0.000 0.268 491 A C 1.017 178.529 177.584 -0.120 0.000 1.128 491 A CA 2.620 54.591 52.037 -0.110 0.000 1.062 491 A CB -1.797 17.106 19.000 -0.162 0.000 1.121 491 A HN 2.116 nan 8.150 nan 0.000 0.895 492 D N -0.967 119.449 120.400 0.027 0.000 2.785 492 D HA 0.328 4.977 4.640 0.014 0.000 0.324 492 D C 0.325 176.628 176.300 0.005 0.000 1.523 492 D CA 0.762 54.781 54.000 0.032 0.000 0.789 492 D CB -1.133 39.828 40.800 0.269 0.000 1.171 492 D HN 0.821 nan 8.370 nan 0.000 0.447 493 T N -2.522 111.967 114.554 -0.109 0.000 2.732 493 T HA 0.238 4.596 4.350 0.014 0.000 0.287 493 T C 1.573 176.145 174.700 -0.214 0.000 0.993 493 T CA 0.356 62.332 62.100 -0.206 0.000 0.966 493 T CB 0.910 69.409 68.868 -0.616 0.000 1.047 493 T HN 0.076 nan 8.240 nan 0.000 0.527 494 T N -2.368 112.074 114.554 -0.186 0.000 3.163 494 T HA 0.217 4.576 4.350 0.014 0.000 0.260 494 T C 1.487 175.925 174.700 -0.435 0.000 1.156 494 T CA 0.257 62.243 62.100 -0.191 0.000 1.072 494 T CB -0.489 68.356 68.868 -0.038 0.000 0.937 494 T HN 0.829 nan 8.240 nan 0.000 0.528 495 A N 0.483 123.046 122.820 -0.429 0.000 2.460 495 A HA 0.507 4.835 4.320 0.014 0.000 0.258 495 A C 0.812 178.208 177.584 -0.313 0.000 1.300 495 A CA -0.330 51.421 52.037 -0.476 0.000 0.913 495 A CB 0.075 19.040 19.000 -0.059 0.000 1.031 495 A HN 0.411 nan 8.150 nan 0.000 0.512 496 T N -1.309 113.072 114.554 -0.289 0.000 2.921 496 T HA 0.364 4.722 4.350 0.014 0.000 0.297 496 T C -0.588 174.127 174.700 0.024 0.000 1.013 496 T CA -0.436 61.650 62.100 -0.024 0.000 0.990 496 T CB 1.201 70.048 68.868 -0.035 0.000 1.023 496 T HN 0.088 nan 8.240 nan 0.000 0.447 497 D N 2.993 123.497 120.400 0.173 0.000 2.347 497 D HA 0.260 4.909 4.640 0.014 0.000 0.213 497 D C 0.344 176.676 176.300 0.053 0.000 0.985 497 D CA 0.710 54.795 54.000 0.140 0.000 0.879 497 D CB 0.367 41.283 40.800 0.193 0.000 0.919 497 D HN 0.540 nan 8.370 nan 0.000 0.526 498 I N 0.950 121.531 120.570 0.019 0.000 2.545 498 I HA 0.249 4.427 4.170 0.014 0.000 0.292 498 I C -0.145 175.904 176.117 -0.113 0.000 1.040 498 I CA -0.889 60.388 61.300 -0.038 0.000 1.068 498 I CB 2.775 40.767 38.000 -0.013 0.000 1.251 498 I HN -0.350 nan 8.210 nan 0.000 0.424 499 I N 5.707 126.162 120.570 -0.190 0.000 2.517 499 I HA 0.044 4.222 4.170 0.014 0.000 0.285 499 I C 0.170 176.076 176.117 -0.352 0.000 1.106 499 I CA 0.020 61.107 61.300 -0.354 0.000 1.402 499 I CB 0.212 37.881 38.000 -0.551 0.000 1.399 499 I HN 0.680 nan 8.210 nan 0.000 0.535 500 C N 5.603 124.706 119.300 -0.327 0.000 3.401 500 C HA 0.459 4.928 4.460 0.014 0.000 0.204 500 C C -2.133 172.720 174.990 -0.228 0.000 1.522 500 C CA -2.245 56.635 59.018 -0.230 0.000 1.409 500 C CB -0.911 26.752 27.740 -0.129 0.000 1.967 500 C HN 0.430 nan 8.230 nan 0.000 0.496 501 P HA 0.302 nan 4.420 nan 0.000 0.272 501 P C -0.438 176.818 177.300 -0.073 0.000 1.240 501 P CA 0.287 63.293 63.100 -0.157 0.000 0.791 501 P CB 0.814 32.452 31.700 -0.103 0.000 0.978 502 M N 0.348 119.928 119.600 -0.033 0.000 2.167 502 M HA 0.433 4.921 4.480 0.014 0.000 0.333 502 M C -0.869 175.442 176.300 0.018 0.000 1.030 502 M CA -0.656 54.528 55.300 -0.194 0.000 0.963 502 M CB 1.005 33.430 32.600 -0.290 0.000 1.589 502 M HN 0.293 nan 8.290 nan 0.000 0.431 503 Y N -0.181 120.293 120.300 0.290 0.000 4.272 503 Y HA -0.199 4.360 4.550 0.015 0.000 0.232 503 Y C 0.406 176.486 175.900 0.300 0.000 1.149 503 Y CA 0.466 58.745 58.100 0.299 0.000 1.961 503 Y CB -2.461 36.152 38.460 0.254 0.000 1.611 503 Y HN 0.972 nan 8.280 nan 0.000 0.682 504 A N 1.052 124.105 122.820 0.389 0.000 2.425 504 A HA 0.618 4.946 4.320 0.014 0.000 0.249 504 A C 0.769 178.578 177.584 0.376 0.000 1.084 504 A CA -0.523 51.737 52.037 0.373 0.000 0.781 504 A CB 0.427 19.698 19.000 0.451 0.000 1.019 504 A HN 0.413 nan 8.150 nan 0.000 0.490 505 R N 1.394 122.037 120.500 0.238 0.000 2.546 505 R HA 0.347 4.695 4.340 0.014 0.000 0.266 505 R C 0.948 177.210 176.300 -0.063 0.000 1.086 505 R CA -0.748 55.414 56.100 0.102 0.000 1.160 505 R CB 0.506 30.837 30.300 0.050 0.000 1.138 505 R HN 0.468 nan 8.270 nan 0.000 0.567 506 V N 0.558 120.279 119.914 -0.321 0.000 2.283 506 V HA -0.188 3.941 4.120 0.014 0.000 0.243 506 V C 1.040 177.013 176.094 -0.203 0.000 1.039 506 V CA 1.836 63.908 62.300 -0.381 0.000 1.016 506 V CB -0.256 31.208 31.823 -0.599 0.000 0.650 506 V HN 0.734 nan 8.190 nan 0.000 0.449 507 D N -1.231 119.081 120.400 -0.147 0.000 2.423 507 D HA 0.084 4.732 4.640 0.014 0.000 0.212 507 D C 0.957 177.236 176.300 -0.035 0.000 1.060 507 D CA 0.096 54.047 54.000 -0.081 0.000 0.872 507 D CB 0.615 41.374 40.800 -0.068 0.000 1.012 507 D HN 0.490 nan 8.370 nan 0.000 0.503 508 E N 1.904 122.087 120.200 -0.028 0.000 2.200 508 E HA 0.090 4.448 4.350 0.014 0.000 0.283 508 E C -0.769 175.826 176.600 -0.008 0.000 1.015 508 E CA -0.598 55.795 56.400 -0.011 0.000 0.819 508 E CB 0.897 30.592 29.700 -0.008 0.000 1.081 508 E HN -0.176 nan 8.360 nan 0.000 0.397 509 D N 3.679 124.078 120.400 -0.003 0.000 2.339 509 D HA 0.119 4.768 4.640 0.014 0.000 0.245 509 D C -0.538 175.649 176.300 -0.188 0.000 1.115 509 D CA 0.258 54.248 54.000 -0.015 0.000 0.917 509 D CB 1.130 42.002 40.800 0.121 0.000 1.192 509 D HN 0.432 nan 8.370 nan 0.000 0.428 510 Q N 1.369 120.915 119.800 -0.423 0.000 2.891 510 Q HA 0.231 4.579 4.340 0.014 0.000 0.242 510 Q C -2.262 173.072 176.000 -1.109 0.000 0.959 510 Q CA -1.482 53.867 55.803 -0.757 0.000 0.707 510 Q CB 2.426 30.679 28.738 -0.809 0.000 1.283 510 Q HN 0.168 nan 8.270 nan 0.000 0.480 511 P HA 0.034 nan 4.420 nan 0.000 0.225 511 P C -0.678 176.293 177.300 -0.549 0.000 1.768 511 P CA -0.199 62.445 63.100 -0.759 0.000 0.943 511 P CB -0.486 31.011 31.700 -0.338 0.000 1.936 512 F N 2.099 121.856 119.950 -0.322 0.000 2.563 512 F HA 0.160 4.695 4.527 0.014 0.000 0.363 512 F C -1.295 174.392 175.800 -0.189 0.000 1.123 512 F CA -2.360 55.519 58.000 -0.202 0.000 1.307 512 F CB -1.119 37.784 39.000 -0.162 0.000 1.115 512 F HN 0.091 nan 8.300 nan 0.000 0.592 513 P HA 0.178 nan 4.420 nan 0.000 0.268 513 P C 0.414 177.731 177.300 0.029 0.000 1.205 513 P CA 1.137 64.255 63.100 0.030 0.000 0.771 513 P CB 0.943 32.660 31.700 0.029 0.000 0.858 514 A N 2.733 125.563 122.820 0.016 0.000 2.617 514 A HA -0.254 4.075 4.320 0.014 0.000 0.236 514 A C 0.755 178.352 177.584 0.022 0.000 0.551 514 A CA 2.053 54.106 52.037 0.026 0.000 1.144 514 A CB -2.708 16.308 19.000 0.026 0.000 1.384 514 A HN 0.695 nan 8.150 nan 0.000 0.694 515 V N -2.945 116.978 119.914 0.016 0.000 2.454 515 V HA 0.556 4.684 4.120 0.014 0.000 0.255 515 V C -2.420 173.665 176.094 -0.015 0.000 1.009 515 V CA -1.326 60.986 62.300 0.020 0.000 1.149 515 V CB 0.487 32.333 31.823 0.038 0.000 1.418 515 V HN 0.475 nan 8.190 nan 0.000 0.567 516 P HA 0.237 nan 4.420 nan 0.000 0.269 516 P C -0.547 176.298 177.300 -0.757 0.000 1.215 516 P CA 0.221 62.903 63.100 -0.696 0.000 0.780 516 P CB 0.880 31.665 31.700 -1.524 0.000 0.898 517 K N 2.376 122.368 120.400 -0.680 0.000 2.419 517 K HA 0.204 4.532 4.320 0.014 0.000 0.244 517 K C -0.432 175.868 176.600 -0.500 0.000 1.045 517 K CA -0.276 55.825 56.287 -0.310 0.000 1.004 517 K CB 0.349 32.908 32.500 0.099 0.000 1.376 517 K HN 0.467 nan 8.250 nan 0.000 0.460 518 W N 1.273 122.240 121.300 -0.555 0.000 2.093 518 W HA 0.054 4.724 4.660 0.017 0.000 0.352 518 W C 1.327 177.828 176.519 -0.030 0.000 1.294 518 W CA -0.452 56.665 57.345 -0.380 0.000 1.290 518 W CB 0.456 29.527 29.460 -0.648 0.000 1.149 518 W HN 0.364 nan 8.180 nan 0.000 0.606 519 S N 2.809 118.651 115.700 0.236 0.000 2.558 519 S HA -0.084 4.395 4.470 0.014 0.000 0.293 519 S C 1.122 175.857 174.600 0.225 0.000 1.292 519 S CA -0.140 58.146 58.200 0.143 0.000 1.063 519 S CB 0.125 63.362 63.200 0.061 0.000 0.831 519 S HN 0.499 nan 8.310 nan 0.000 0.499 520 I N 2.101 122.771 120.570 0.166 0.000 2.361 520 I HA -0.099 4.079 4.170 0.014 0.000 0.251 520 I C 2.059 178.196 176.117 0.033 0.000 1.133 520 I CA 1.134 62.542 61.300 0.180 0.000 1.413 520 I CB -0.371 37.686 38.000 0.096 0.000 1.073 520 I HN 0.572 nan 8.210 nan 0.000 0.424 521 K N 1.564 121.881 120.400 -0.139 0.000 2.057 521 K HA -0.135 4.193 4.320 0.014 0.000 0.206 521 K C 2.299 178.868 176.600 -0.053 0.000 1.050 521 K CA 1.489 57.593 56.287 -0.306 0.000 0.935 521 K CB -0.165 32.074 32.500 -0.436 0.000 0.715 521 K HN 0.348 nan 8.250 nan 0.000 0.439 522 K N 0.049 120.451 120.400 0.003 0.000 2.155 522 K HA -0.162 4.166 4.320 0.014 0.000 0.203 522 K C 1.830 178.443 176.600 0.021 0.000 1.052 522 K CA 0.773 57.054 56.287 -0.011 0.000 0.948 522 K CB -0.048 32.415 32.500 -0.061 0.000 0.728 522 K HN 0.223 nan 8.250 nan 0.000 0.448 523 W N 2.208 123.483 121.300 -0.042 0.000 2.335 523 W HA -0.196 4.470 4.660 0.009 0.000 0.311 523 W C 1.677 178.174 176.519 -0.035 0.000 1.213 523 W CA 1.112 58.450 57.345 -0.012 0.000 1.274 523 W CB -0.697 28.831 29.460 0.114 0.000 1.148 523 W HN 0.070 nan 8.180 nan 0.000 0.498 524 L N 0.834 122.214 121.223 0.261 0.000 2.043 524 L HA -0.269 4.079 4.340 0.014 0.000 0.212 524 L C 2.227 179.165 176.870 0.113 0.000 1.075 524 L CA 2.124 57.051 54.840 0.145 0.000 0.752 524 L CB -1.077 41.054 42.059 0.121 0.000 0.891 524 L HN -0.006 nan 8.230 nan 0.000 0.432 525 S N -1.313 114.437 115.700 0.083 0.000 2.614 525 S HA 0.254 4.732 4.470 0.014 0.000 0.230 525 S C 0.573 175.163 174.600 -0.017 0.000 0.952 525 S CA -0.510 57.711 58.200 0.035 0.000 0.949 525 S CB -0.493 62.726 63.200 0.031 0.000 0.786 525 S HN 0.156 nan 8.310 nan 0.000 0.478 526 L N 1.880 123.086 121.223 -0.028 0.000 2.499 526 L HA 0.207 4.556 4.340 0.014 0.000 0.281 526 L C -2.173 174.666 176.870 -0.051 0.000 1.234 526 L CA -1.689 53.086 54.840 -0.108 0.000 0.839 526 L CB -0.311 41.661 42.059 -0.145 0.000 1.104 526 L HN 0.024 nan 8.230 nan 0.000 0.500 527 P HA -0.038 nan 4.420 nan 0.000 0.260 527 P C 0.720 178.014 177.300 -0.009 0.000 1.172 527 P CA 1.098 64.175 63.100 -0.037 0.000 0.760 527 P CB 0.490 32.164 31.700 -0.044 0.000 0.773 528 G N 1.728 110.529 108.800 0.002 0.000 2.212 528 G HA2 -0.286 3.682 3.960 0.014 0.000 0.266 528 G HA3 -0.286 3.682 3.960 0.014 0.000 0.266 528 G C 0.297 175.215 174.900 0.030 0.000 0.978 528 G CA 0.262 45.371 45.100 0.016 0.000 0.632 528 G HN 0.616 nan 8.290 nan 0.000 0.537 529 E N 0.765 120.988 120.200 0.039 0.000 2.331 529 E HA 0.628 4.986 4.350 0.014 0.000 0.272 529 E C 1.354 177.981 176.600 0.044 0.000 1.036 529 E CA 0.595 57.030 56.400 0.059 0.000 0.864 529 E CB 0.841 30.603 29.700 0.102 0.000 1.035 529 E HN 0.529 nan 8.360 nan 0.000 0.408 530 T N 0.197 114.773 114.554 0.038 0.000 3.131 530 T HA 0.325 4.683 4.350 0.014 0.000 0.283 530 T C 0.495 175.206 174.700 0.019 0.000 0.906 530 T CA -0.477 61.640 62.100 0.028 0.000 0.882 530 T CB 0.036 68.919 68.868 0.026 0.000 1.208 530 T HN 0.263 nan 8.240 nan 0.000 0.561 531 R N 2.499 123.006 120.500 0.012 0.000 2.679 531 R HA 0.436 4.784 4.340 0.014 0.000 0.269 531 R C -2.492 173.790 176.300 -0.030 0.000 1.076 531 R CA -1.634 54.461 56.100 -0.008 0.000 1.160 531 R CB 0.057 30.345 30.300 -0.020 0.000 1.054 531 R HN 0.247 nan 8.270 nan 0.000 0.507 532 P HA 0.111 nan 4.420 nan 0.000 0.276 532 P C -1.084 176.151 177.300 -0.109 0.000 1.252 532 P CA -0.205 62.858 63.100 -0.062 0.000 0.802 532 P CB 0.747 32.412 31.700 -0.058 0.000 1.035 533 L N 2.084 123.225 121.223 -0.136 0.000 2.376 533 L HA 0.567 4.915 4.340 0.014 0.000 0.275 533 L C -1.008 175.731 176.870 -0.218 0.000 0.987 533 L CA -0.636 54.085 54.840 -0.198 0.000 0.828 533 L CB 0.738 42.675 42.059 -0.204 0.000 1.249 533 L HN 0.227 nan 8.230 nan 0.000 0.409 534 I N 5.753 126.202 120.570 -0.203 0.000 2.468 534 I HA 0.253 4.431 4.170 0.014 0.000 0.284 534 I C -0.714 175.326 176.117 -0.128 0.000 1.038 534 I CA -0.591 60.578 61.300 -0.218 0.000 1.083 534 I CB 1.914 39.849 38.000 -0.107 0.000 1.223 534 I HN 0.475 nan 8.210 nan 0.000 0.443 535 L N 5.640 126.764 121.223 -0.166 0.000 2.499 535 L HA -0.019 4.330 4.340 0.014 0.000 0.273 535 L C 1.534 178.498 176.870 0.157 0.000 1.195 535 L CA -0.011 54.803 54.840 -0.043 0.000 0.882 535 L CB 0.518 42.543 42.059 -0.056 0.000 1.133 535 L HN 0.853 nan 8.230 nan 0.000 0.483 536 C N 0.840 120.202 119.300 0.104 0.000 2.446 536 C HA 0.094 4.562 4.460 0.014 0.000 0.279 536 C C 0.732 175.873 174.990 0.251 0.000 1.366 536 C CA -0.120 58.996 59.018 0.163 0.000 1.763 536 C CB -0.945 26.796 27.740 0.003 0.000 1.929 536 C HN 0.816 nan 8.230 nan 0.000 0.509 537 Q N -0.309 119.570 119.800 0.131 0.000 2.284 537 Q HA 0.639 4.987 4.340 0.014 0.000 0.269 537 Q C -1.440 174.556 176.000 -0.006 0.000 1.026 537 Q CA -0.338 55.545 55.803 0.134 0.000 0.831 537 Q CB 2.392 31.045 28.738 -0.140 0.000 1.322 537 Q HN 0.699 nan 8.270 nan 0.000 0.419 538 Y N -0.335 119.993 120.300 0.046 0.000 2.624 538 Y HA 0.798 5.358 4.550 0.016 0.000 0.334 538 Y C -0.814 175.248 175.900 0.269 0.000 1.155 538 Y CA -0.879 57.239 58.100 0.030 0.000 1.046 538 Y CB 0.595 38.921 38.460 -0.224 0.000 1.316 538 Y HN 0.961 nan 8.280 nan 0.000 0.457 539 A N 1.536 124.468 122.820 0.187 0.000 2.443 539 A HA 0.080 4.409 4.320 0.014 0.000 0.686 539 A C -1.227 176.607 177.584 0.417 0.000 0.144 539 A CA 0.641 52.784 52.037 0.177 0.000 0.033 539 A CB -1.419 17.595 19.000 0.023 0.000 3.972 539 A HN 1.820 nan 8.150 nan 0.000 0.548 540 H N 1.098 120.306 119.070 0.231 0.000 3.162 540 H HA 0.517 5.081 4.556 0.013 0.000 0.309 540 H C 0.147 175.538 175.328 0.106 0.000 1.156 540 H CA 0.309 56.532 56.048 0.293 0.000 1.586 540 H CB 0.765 30.601 29.762 0.124 0.000 1.740 540 H HN 1.555 nan 8.280 nan 0.000 0.525 541 A N 6.164 128.908 122.820 -0.125 0.000 2.916 541 A HA 0.129 4.458 4.320 0.014 0.000 0.254 541 A C 0.704 178.092 177.584 -0.327 0.000 1.544 541 A CA -0.355 51.552 52.037 -0.216 0.000 1.224 541 A CB -0.733 18.139 19.000 -0.214 0.000 1.012 541 A HN 0.697 nan 8.150 nan 0.000 0.636 542 M N 1.401 120.824 119.600 -0.294 0.000 2.084 542 M HA 0.475 4.963 4.480 0.014 0.000 0.351 542 M C 0.953 177.019 176.300 -0.390 0.000 1.240 542 M CA 1.066 56.178 55.300 -0.313 0.000 1.083 542 M CB 0.065 32.577 32.600 -0.148 0.000 1.593 542 M HN 0.819 nan 8.290 nan 0.000 0.463 543 G N 4.350 112.846 108.800 -0.507 0.000 2.574 543 G HA2 -0.355 3.614 3.960 0.014 0.000 0.286 543 G HA3 -0.355 3.614 3.960 0.014 0.000 0.286 543 G C -0.213 174.050 174.900 -1.062 0.000 1.212 543 G CA 0.162 44.816 45.100 -0.743 0.000 0.979 543 G HN 0.862 nan 8.290 nan 0.000 0.557 544 N N 1.175 119.128 118.700 -1.245 0.000 2.402 544 N HA 0.504 5.253 4.740 0.014 0.000 0.259 544 N C 0.023 175.225 175.510 -0.513 0.000 1.167 544 N CA 1.091 53.573 53.050 -0.948 0.000 0.949 544 N CB 0.630 38.608 38.487 -0.849 0.000 1.212 544 N HN 0.862 nan 8.380 nan 0.000 0.493 545 S N 2.345 117.827 115.700 -0.363 0.000 2.973 545 S HA 0.594 5.073 4.470 0.014 0.000 0.317 545 S C -0.227 174.280 174.600 -0.155 0.000 1.196 545 S CA -0.316 57.743 58.200 -0.235 0.000 0.894 545 S CB -0.012 63.060 63.200 -0.213 0.000 1.292 545 S HN 0.389 nan 8.310 nan 0.000 0.614 546 L N 0.041 121.217 121.223 -0.079 0.000 4.793 546 L HA -0.051 4.297 4.340 0.014 0.000 0.404 546 L C 0.532 177.437 176.870 0.058 0.000 1.022 546 L CA 0.923 55.750 54.840 -0.021 0.000 1.242 546 L CB -1.728 40.237 42.059 -0.157 0.000 2.049 546 L HN 0.749 nan 8.230 nan 0.000 0.637 547 G N -0.832 107.965 108.800 -0.005 0.000 2.365 547 G HA2 0.472 4.441 3.960 0.014 0.000 0.249 547 G HA3 0.472 4.441 3.960 0.014 0.000 0.249 547 G C 1.236 176.167 174.900 0.051 0.000 1.288 547 G CA 0.191 45.267 45.100 -0.041 0.000 0.887 547 G HN 1.362 nan 8.290 nan 0.000 0.524 548 G N 1.663 110.483 108.800 0.033 0.000 2.175 548 G HA2 -0.318 3.650 3.960 0.014 0.000 0.244 548 G HA3 -0.318 3.650 3.960 0.014 0.000 0.244 548 G C 1.033 176.108 174.900 0.292 0.000 0.982 548 G CA 0.748 45.925 45.100 0.129 0.000 0.641 548 G HN 0.750 nan 8.290 nan 0.000 0.527 549 F N 1.947 122.013 119.950 0.193 0.000 2.126 549 F HA 0.099 4.635 4.527 0.015 0.000 0.299 549 F C 2.743 178.756 175.800 0.355 0.000 1.096 549 F CA 2.589 60.779 58.000 0.316 0.000 1.255 549 F CB -0.520 38.608 39.000 0.213 0.000 0.997 549 F HN 0.361 nan 8.300 nan 0.000 0.479 550 A N -0.342 122.645 122.820 0.277 0.000 2.024 550 A HA -0.277 4.051 4.320 0.014 0.000 0.220 550 A C 2.300 179.907 177.584 0.037 0.000 1.164 550 A CA 1.901 54.035 52.037 0.161 0.000 0.643 550 A CB -0.866 18.231 19.000 0.162 0.000 0.806 550 A HN 0.475 nan 8.150 nan 0.000 0.451 551 K N -1.741 118.661 120.400 0.002 0.000 2.097 551 K HA -0.179 4.149 4.320 0.014 0.000 0.206 551 K C 1.718 178.088 176.600 -0.383 0.000 1.049 551 K CA 1.587 57.789 56.287 -0.141 0.000 0.933 551 K CB -0.307 32.121 32.500 -0.119 0.000 0.717 551 K HN 0.544 nan 8.250 nan 0.000 0.442 552 Y N -0.594 119.422 120.300 -0.474 0.000 2.145 552 Y HA -0.230 4.327 4.550 0.013 0.000 0.286 552 Y C 2.006 176.944 175.900 -1.604 0.000 1.145 552 Y CA 1.699 59.169 58.100 -1.049 0.000 1.148 552 Y CB -0.469 37.363 38.460 -1.047 0.000 0.981 552 Y HN 0.167 nan 8.280 nan 0.000 0.507 553 W N 0.097 120.972 121.300 -0.710 0.000 2.338 553 W HA -0.240 4.430 4.660 0.016 0.000 0.304 553 W C 2.648 179.000 176.519 -0.278 0.000 1.212 553 W CA 1.720 58.799 57.345 -0.444 0.000 1.264 553 W CB -0.726 28.563 29.460 -0.285 0.000 1.142 553 W HN 0.060 nan 8.180 nan 0.000 0.512 554 Q N 0.739 120.448 119.800 -0.151 0.000 2.084 554 Q HA -0.180 4.168 4.340 0.014 0.000 0.202 554 Q C 2.196 178.131 176.000 -0.108 0.000 0.978 554 Q CA 2.146 57.900 55.803 -0.082 0.000 0.844 554 Q CB -0.663 28.044 28.738 -0.052 0.000 0.898 554 Q HN 0.277 nan 8.270 nan 0.000 0.426 555 A N 0.122 122.784 122.820 -0.263 0.000 1.873 555 A HA -0.132 4.196 4.320 0.014 0.000 0.215 555 A C 1.851 179.410 177.584 -0.041 0.000 1.186 555 A CA 1.258 53.175 52.037 -0.200 0.000 0.616 555 A CB -0.825 17.935 19.000 -0.401 0.000 0.823 555 A HN 0.368 nan 8.150 nan 0.000 0.442 556 F N 0.170 119.946 119.950 -0.291 0.000 2.126 556 F HA -0.101 4.434 4.527 0.013 0.000 0.299 556 F C 2.506 178.206 175.800 -0.167 0.000 1.096 556 F CA 1.196 58.995 58.000 -0.334 0.000 1.255 556 F CB -0.855 37.724 39.000 -0.701 0.000 0.997 556 F HN 0.171 nan 8.300 nan 0.000 0.479 557 R N -0.247 120.305 120.500 0.087 0.000 2.115 557 R HA -0.155 4.193 4.340 0.014 0.000 0.226 557 R C 2.168 178.499 176.300 0.053 0.000 1.100 557 R CA 1.185 57.322 56.100 0.060 0.000 0.980 557 R CB -0.430 29.901 30.300 0.052 0.000 0.875 557 R HN 0.377 nan 8.270 nan 0.000 0.445 558 Q N -0.315 119.543 119.800 0.096 0.000 2.137 558 Q HA -0.073 4.275 4.340 0.014 0.000 0.198 558 Q C -0.404 175.597 176.000 0.001 0.000 0.960 558 Q CA 0.995 56.840 55.803 0.071 0.000 0.847 558 Q CB 0.321 29.140 28.738 0.136 0.000 0.915 558 Q HN 0.195 nan 8.270 nan 0.000 0.448 559 Y N 0.284 120.566 120.300 -0.029 0.000 2.404 559 Y HA 0.240 4.797 4.550 0.012 0.000 0.344 559 Y C -1.774 174.102 175.900 -0.039 0.000 0.970 559 Y CA -2.707 55.376 58.100 -0.028 0.000 1.180 559 Y CB 1.331 39.779 38.460 -0.020 0.000 1.138 559 Y HN 0.156 nan 8.280 nan 0.000 0.510 560 P HA -0.182 nan 4.420 nan 0.000 0.215 560 P C 1.100 178.404 177.300 0.006 0.000 1.157 560 P CA 1.894 64.993 63.100 -0.002 0.000 0.874 560 P CB 0.296 31.980 31.700 -0.027 0.000 0.790 561 R N -1.237 119.289 120.500 0.043 0.000 2.307 561 R HA 0.089 4.437 4.340 0.014 0.000 0.199 561 R C 0.427 176.718 176.300 -0.015 0.000 1.000 561 R CA 0.143 56.251 56.100 0.015 0.000 1.023 561 R CB -0.491 29.825 30.300 0.027 0.000 0.908 561 R HN 0.242 nan 8.270 nan 0.000 0.473 562 L N 1.938 123.174 121.223 0.022 0.000 2.312 562 L HA 0.131 4.479 4.340 0.014 0.000 0.287 562 L C 0.544 177.279 176.870 -0.226 0.000 1.091 562 L CA 0.122 54.922 54.840 -0.066 0.000 0.846 562 L CB 1.072 43.166 42.059 0.059 0.000 1.219 562 L HN 0.062 nan 8.230 nan 0.000 0.439 563 Q N 2.840 122.435 119.800 -0.340 0.000 2.211 563 Q HA 0.313 4.661 4.340 0.014 0.000 0.231 563 Q C 0.872 176.468 176.000 -0.673 0.000 0.865 563 Q CA 0.115 55.680 55.803 -0.396 0.000 0.997 563 Q CB 0.922 29.517 28.738 -0.239 0.000 1.101 563 Q HN 0.954 nan 8.270 nan 0.000 0.468 564 G N -0.350 107.660 108.800 -1.317 0.000 2.418 564 G HA2 0.085 4.053 3.960 0.014 0.000 0.206 564 G HA3 0.085 4.053 3.960 0.014 0.000 0.206 564 G C -0.243 173.799 174.900 -1.430 0.000 1.202 564 G CA -0.742 43.193 45.100 -1.942 0.000 1.061 564 G HN 0.598 nan 8.290 nan 0.000 0.563 565 G N -2.241 106.033 108.800 -0.877 0.000 2.342 565 G HA2 0.643 4.611 3.960 0.014 0.000 0.297 565 G HA3 0.643 4.611 3.960 0.014 0.000 0.297 565 G C -1.861 172.979 174.900 -0.099 0.000 1.313 565 G CA -0.237 44.586 45.100 -0.461 0.000 0.830 565 G HN 1.156 nan 8.290 nan 0.000 0.506 566 F N 0.663 120.868 119.950 0.425 0.000 2.427 566 F HA 0.538 5.073 4.527 0.012 0.000 0.348 566 F C 0.756 176.871 175.800 0.525 0.000 1.125 566 F CA -0.767 57.513 58.000 0.466 0.000 0.989 566 F CB 2.001 41.168 39.000 0.279 0.000 1.165 566 F HN 0.253 nan 8.300 nan 0.000 0.442 567 V N 3.086 123.317 119.914 0.530 0.000 2.999 567 V HA -0.115 4.013 4.120 0.014 0.000 0.307 567 V C -0.260 175.988 176.094 0.258 0.000 1.084 567 V CA -0.304 62.087 62.300 0.153 0.000 1.155 567 V CB 0.887 32.812 31.823 0.171 0.000 0.975 567 V HN 0.778 nan 8.190 nan 0.000 0.490 568 W N 6.078 127.449 121.300 0.118 0.000 2.296 568 W HA 0.444 5.112 4.660 0.013 0.000 0.316 568 W C -0.904 175.640 176.519 0.042 0.000 1.022 568 W CA -0.659 56.795 57.345 0.181 0.000 1.324 568 W CB 1.327 31.041 29.460 0.423 0.000 1.227 568 W HN 0.925 nan 8.180 nan 0.000 0.409 569 D N 2.596 122.691 120.400 -0.510 0.000 2.812 569 D HA 0.114 4.762 4.640 0.014 0.000 0.318 569 D C 0.642 176.749 176.300 -0.322 0.000 1.234 569 D CA -0.550 53.039 54.000 -0.686 0.000 0.989 569 D CB 0.228 40.106 40.800 -1.537 0.000 1.442 569 D HN 0.403 nan 8.370 nan 0.000 0.537 570 W N 0.411 121.448 121.300 -0.438 0.000 2.413 570 W HA 0.161 4.829 4.660 0.014 0.000 0.315 570 W C -0.180 176.192 176.519 -0.246 0.000 1.186 570 W CA 1.018 58.166 57.345 -0.327 0.000 1.326 570 W CB 0.325 29.603 29.460 -0.303 0.000 1.153 570 W HN 0.151 nan 8.180 nan 0.000 0.489 571 V N 2.644 122.350 119.914 -0.346 0.000 2.709 571 V HA 0.242 4.370 4.120 0.014 0.000 0.308 571 V C -0.979 174.970 176.094 -0.240 0.000 1.062 571 V CA -0.773 61.297 62.300 -0.384 0.000 0.901 571 V CB 1.572 33.256 31.823 -0.232 0.000 1.003 571 V HN -0.105 nan 8.190 nan 0.000 0.425 572 D N 3.935 124.205 120.400 -0.216 0.000 2.455 572 D HA 0.157 4.805 4.640 0.014 0.000 0.241 572 D C 0.230 176.390 176.300 -0.232 0.000 1.138 572 D CA 0.566 54.466 54.000 -0.167 0.000 0.877 572 D CB 0.940 41.709 40.800 -0.052 0.000 1.187 572 D HN 0.602 nan 8.370 nan 0.000 0.451 573 Q N 1.101 120.694 119.800 -0.346 0.000 3.207 573 Q HA 0.160 4.509 4.340 0.014 0.000 0.335 573 Q C -0.171 175.773 176.000 -0.094 0.000 1.374 573 Q CA -0.379 54.983 55.803 -0.735 0.000 1.023 573 Q CB 0.107 28.520 28.738 -0.541 0.000 1.576 573 Q HN 0.364 nan 8.270 nan 0.000 0.515 574 S N -0.130 115.618 115.700 0.080 0.000 2.616 574 S HA 0.633 5.111 4.470 0.014 0.000 0.277 574 S C -0.125 174.641 174.600 0.277 0.000 1.234 574 S CA -0.785 57.581 58.200 0.277 0.000 1.028 574 S CB 1.459 64.809 63.200 0.251 0.000 0.988 574 S HN 0.348 nan 8.310 nan 0.000 0.522 575 L N 1.688 123.008 121.223 0.162 0.000 2.342 575 L HA 0.525 4.873 4.340 0.014 0.000 0.271 575 L C -0.454 176.340 176.870 -0.126 0.000 1.008 575 L CA -1.194 53.622 54.840 -0.039 0.000 0.818 575 L CB 1.466 43.370 42.059 -0.258 0.000 1.296 575 L HN 0.558 nan 8.230 nan 0.000 0.427 576 I N 2.352 122.789 120.570 -0.222 0.000 2.428 576 I HA 0.272 4.450 4.170 0.014 0.000 0.289 576 I C 0.180 175.910 176.117 -0.646 0.000 1.019 576 I CA -0.056 60.982 61.300 -0.437 0.000 1.351 576 I CB 1.166 38.914 38.000 -0.420 0.000 1.412 576 I HN 0.579 nan 8.210 nan 0.000 0.513 577 K N 5.055 124.790 120.400 -1.109 0.000 2.352 577 K HA 0.564 4.893 4.320 0.014 0.000 0.240 577 K C -1.551 174.212 176.600 -1.395 0.000 1.017 577 K CA -0.688 54.843 56.287 -1.261 0.000 0.851 577 K CB 2.167 33.600 32.500 -1.778 0.000 1.261 577 K HN 0.243 nan 8.250 nan 0.000 0.451 578 Y N 0.828 120.844 120.300 -0.472 0.000 2.409 578 Y HA 0.131 4.689 4.550 0.014 0.000 0.343 578 Y C 0.138 176.112 175.900 0.123 0.000 0.973 578 Y CA -1.064 56.956 58.100 -0.133 0.000 1.064 578 Y CB 1.312 39.721 38.460 -0.085 0.000 1.207 578 Y HN 0.680 nan 8.280 nan 0.000 0.452 579 D N 0.427 121.069 120.400 0.403 0.000 2.447 579 D HA 0.039 4.687 4.640 0.014 0.000 0.265 579 D C 0.754 177.167 176.300 0.188 0.000 1.250 579 D CA -0.277 53.916 54.000 0.321 0.000 1.046 579 D CB 0.669 41.595 40.800 0.210 0.000 1.095 579 D HN 0.527 nan 8.370 nan 0.000 0.555 580 E N -0.554 119.718 120.200 0.120 0.000 2.209 580 E HA -0.148 4.210 4.350 0.014 0.000 0.196 580 E C 1.128 177.768 176.600 0.067 0.000 0.993 580 E CA 0.888 57.334 56.400 0.076 0.000 0.819 580 E CB -0.220 29.508 29.700 0.046 0.000 0.745 580 E HN 0.455 nan 8.360 nan 0.000 0.477 581 N N -0.234 118.514 118.700 0.080 0.000 2.467 581 N HA -0.031 4.717 4.740 0.014 0.000 0.184 581 N C 1.357 176.915 175.510 0.081 0.000 1.106 581 N CA 0.984 54.075 53.050 0.068 0.000 0.892 581 N CB 0.578 39.102 38.487 0.062 0.000 0.969 581 N HN 0.285 nan 8.380 nan 0.000 0.454 582 G N 0.332 109.204 108.800 0.120 0.000 2.175 582 G HA2 -0.242 3.726 3.960 0.014 0.000 0.244 582 G HA3 -0.242 3.726 3.960 0.014 0.000 0.244 582 G C -0.244 174.793 174.900 0.229 0.000 0.982 582 G CA -0.363 44.811 45.100 0.123 0.000 0.641 582 G HN 0.301 nan 8.290 nan 0.000 0.527 583 N N 2.007 120.838 118.700 0.218 0.000 2.479 583 N HA 0.469 5.217 4.740 0.014 0.000 0.285 583 N C -2.504 173.139 175.510 0.221 0.000 1.075 583 N CA -1.036 52.138 53.050 0.207 0.000 0.967 583 N CB 2.054 40.626 38.487 0.142 0.000 1.137 583 N HN 0.224 nan 8.380 nan 0.000 0.472 584 P HA 0.334 nan 4.420 nan 0.000 0.281 584 P C -0.604 176.666 177.300 -0.050 0.000 1.249 584 P CA -0.401 62.551 63.100 -0.246 0.000 0.810 584 P CB 0.972 32.483 31.700 -0.314 0.000 1.008 585 W N -0.804 120.252 121.300 -0.406 0.000 3.118 585 W HA 0.436 5.104 4.660 0.014 0.000 0.328 585 W C -1.532 174.819 176.519 -0.280 0.000 1.239 585 W CA -1.063 56.066 57.345 -0.360 0.000 1.176 585 W CB 0.445 29.473 29.460 -0.721 0.000 1.433 585 W HN 0.118 nan 8.180 nan 0.000 0.562 586 S N 1.444 117.261 115.700 0.195 0.000 2.465 586 S HA 0.597 5.075 4.470 0.014 0.000 0.279 586 S C 0.121 174.918 174.600 0.328 0.000 1.201 586 S CA -0.287 58.011 58.200 0.163 0.000 1.053 586 S CB 0.964 64.301 63.200 0.229 0.000 0.953 586 S HN 0.605 nan 8.310 nan 0.000 0.488 587 A N 2.909 125.791 122.820 0.103 0.000 2.337 587 A HA 0.881 5.209 4.320 0.014 0.000 0.331 587 A C -0.688 177.148 177.584 0.419 0.000 1.137 587 A CA -0.727 51.406 52.037 0.159 0.000 0.807 587 A CB 0.655 19.462 19.000 -0.322 0.000 1.250 587 A HN 0.835 nan 8.150 nan 0.000 0.468 588 Y N -0.490 120.131 120.300 0.534 0.000 3.123 588 Y HA 0.782 5.341 4.550 0.014 0.000 0.305 588 Y C 0.695 176.957 175.900 0.603 0.000 1.560 588 Y CA -1.437 56.974 58.100 0.519 0.000 1.048 588 Y CB -0.167 38.428 38.460 0.225 0.000 1.380 588 Y HN 0.865 nan 8.280 nan 0.000 0.618 589 G N -0.329 108.879 108.800 0.680 0.000 2.305 589 G HA2 0.382 4.350 3.960 0.014 0.000 0.243 589 G HA3 0.382 4.350 3.960 0.014 0.000 0.243 589 G C 0.930 176.150 174.900 0.534 0.000 1.288 589 G CA 0.326 45.748 45.100 0.535 0.000 0.901 589 G HN 1.950 nan 8.290 nan 0.000 0.516 590 G N 2.103 111.183 108.800 0.467 0.000 2.225 590 G HA2 -0.269 3.699 3.960 0.014 0.000 0.254 590 G HA3 -0.269 3.699 3.960 0.014 0.000 0.254 590 G C 0.847 175.927 174.900 0.301 0.000 0.988 590 G CA 0.595 45.905 45.100 0.349 0.000 0.625 590 G HN 0.641 nan 8.290 nan 0.000 0.527 591 D N -0.315 120.269 120.400 0.305 0.000 2.363 591 D HA 0.197 4.845 4.640 0.014 0.000 0.226 591 D C 1.150 177.266 176.300 -0.306 0.000 1.020 591 D CA 0.417 54.422 54.000 0.009 0.000 0.892 591 D CB -0.181 40.569 40.800 -0.083 0.000 0.900 591 D HN 0.487 nan 8.370 nan 0.000 0.531 592 F N -1.065 119.012 119.950 0.212 0.000 2.724 592 F HA 0.286 4.821 4.527 0.014 0.000 0.310 592 F C 1.763 177.649 175.800 0.143 0.000 1.107 592 F CA -0.197 57.887 58.000 0.139 0.000 1.218 592 F CB 0.976 40.057 39.000 0.136 0.000 1.042 592 F HN -0.040 nan 8.300 nan 0.000 0.540 593 G N 0.431 109.383 108.800 0.254 0.000 2.176 593 G HA2 -0.266 3.703 3.960 0.014 0.000 0.253 593 G HA3 -0.266 3.703 3.960 0.014 0.000 0.253 593 G C -0.262 174.770 174.900 0.220 0.000 0.979 593 G CA 0.114 45.334 45.100 0.199 0.000 0.641 593 G HN 0.373 nan 8.290 nan 0.000 0.530 594 D N 0.597 121.174 120.400 0.294 0.000 2.417 594 D HA 0.503 5.152 4.640 0.014 0.000 0.250 594 D C 0.155 176.568 176.300 0.188 0.000 1.166 594 D CA 0.935 55.093 54.000 0.264 0.000 0.881 594 D CB 1.634 42.648 40.800 0.356 0.000 1.164 594 D HN 0.378 nan 8.370 nan 0.000 0.467 595 T N 1.002 115.636 114.554 0.134 0.000 3.012 595 T HA 0.418 4.777 4.350 0.014 0.000 0.330 595 T C -2.776 171.954 174.700 0.049 0.000 1.321 595 T CA -1.194 60.957 62.100 0.085 0.000 1.067 595 T CB 1.033 69.954 68.868 0.089 0.000 1.235 595 T HN 0.177 nan 8.240 nan 0.000 0.479 596 P HA 0.453 nan 4.420 nan 0.000 0.270 596 P C -0.897 176.384 177.300 -0.031 0.000 1.223 596 P CA -0.240 62.852 63.100 -0.014 0.000 0.785 596 P CB 0.318 31.985 31.700 -0.055 0.000 0.923 597 N N -1.526 117.153 118.700 -0.035 0.000 2.647 597 N HA 0.319 5.067 4.740 0.014 0.000 0.266 597 N C -1.123 174.318 175.510 -0.114 0.000 1.373 597 N CA -0.799 52.204 53.050 -0.079 0.000 0.807 597 N CB 0.974 39.505 38.487 0.073 0.000 1.513 597 N HN 0.082 nan 8.380 nan 0.000 0.505 598 D N -0.214 120.058 120.400 -0.212 0.000 2.755 598 D HA 0.125 4.774 4.640 0.014 0.000 0.257 598 D C 0.474 176.963 176.300 0.315 0.000 1.291 598 D CA -0.146 53.819 54.000 -0.058 0.000 0.836 598 D CB 0.175 40.799 40.800 -0.294 0.000 1.059 598 D HN 0.714 nan 8.370 nan 0.000 0.486 599 R N 0.880 121.556 120.500 0.294 0.000 3.587 599 R HA -0.326 4.022 4.340 0.014 0.000 0.556 599 R C 1.095 177.417 176.300 0.037 0.000 0.241 599 R CA 1.583 57.852 56.100 0.282 0.000 1.724 599 R CB -1.563 28.819 30.300 0.137 0.000 0.885 599 R HN 0.137 nan 8.270 nan 0.000 0.613 600 Q N 1.497 120.984 119.800 -0.523 0.000 2.466 600 Q HA 0.001 4.349 4.340 0.014 0.000 0.210 600 Q C 1.577 177.304 176.000 -0.455 0.000 0.961 600 Q CA 1.227 56.546 55.803 -0.807 0.000 0.953 600 Q CB 0.001 28.045 28.738 -1.156 0.000 1.011 600 Q HN 0.610 nan 8.270 nan 0.000 0.516 601 F N 1.460 121.330 119.950 -0.134 0.000 2.546 601 F HA -0.099 4.436 4.527 0.014 0.000 0.298 601 F C 2.177 177.923 175.800 -0.090 0.000 1.120 601 F CA 0.934 58.932 58.000 -0.002 0.000 1.456 601 F CB -0.177 38.887 39.000 0.107 0.000 1.088 601 F HN 0.402 nan 8.300 nan 0.000 0.572 602 C N -1.346 117.685 119.300 -0.449 0.000 2.522 602 C HA 0.178 4.646 4.460 0.014 0.000 0.271 602 C C 1.072 175.866 174.990 -0.325 0.000 1.425 602 C CA -0.444 58.129 59.018 -0.742 0.000 1.751 602 C CB -1.737 25.044 27.740 -1.599 0.000 1.775 602 C HN 0.193 nan 8.230 nan 0.000 0.557 603 M N 2.637 122.101 119.600 -0.227 0.000 2.103 603 M HA 0.273 4.761 4.480 0.014 0.000 0.350 603 M C -0.376 175.809 176.300 -0.192 0.000 1.100 603 M CA 0.343 55.538 55.300 -0.175 0.000 1.042 603 M CB -0.014 32.511 32.600 -0.126 0.000 1.368 603 M HN 0.367 nan 8.290 nan 0.000 0.404 604 N N 0.984 119.571 118.700 -0.189 0.000 2.305 604 N HA 0.192 4.941 4.740 0.014 0.000 0.248 604 N C 0.308 175.635 175.510 -0.305 0.000 1.290 604 N CA -0.555 52.339 53.050 -0.259 0.000 0.873 604 N CB 1.239 39.648 38.487 -0.130 0.000 1.261 604 N HN 0.653 nan 8.380 nan 0.000 0.504 605 G N 0.075 108.712 108.800 -0.271 0.000 2.448 605 G HA2 0.322 4.291 3.960 0.014 0.000 0.285 605 G HA3 0.322 4.291 3.960 0.014 0.000 0.285 605 G C 0.782 175.544 174.900 -0.229 0.000 1.176 605 G CA -0.524 44.397 45.100 -0.298 0.000 0.852 605 G HN 0.109 nan 8.290 nan 0.000 0.530 606 L N 0.321 121.344 121.223 -0.334 0.000 2.291 606 L HA 0.069 4.417 4.340 0.014 0.000 0.214 606 L C 1.010 177.648 176.870 -0.387 0.000 1.120 606 L CA 0.534 55.205 54.840 -0.282 0.000 0.799 606 L CB -0.354 41.524 42.059 -0.303 0.000 0.925 606 L HN 0.415 nan 8.230 nan 0.000 0.446 607 V N -5.059 114.448 119.914 -0.678 0.000 2.960 607 V HA 0.457 4.586 4.120 0.014 0.000 0.315 607 V C -0.105 175.584 176.094 -0.675 0.000 1.087 607 V CA -1.286 60.584 62.300 -0.716 0.000 0.982 607 V CB 1.515 32.891 31.823 -0.744 0.000 1.039 607 V HN -0.159 nan 8.190 nan 0.000 0.437 608 F N 1.436 121.001 119.950 -0.642 0.000 2.480 608 F HA 0.523 5.058 4.527 0.014 0.000 0.319 608 F C 1.926 177.574 175.800 -0.253 0.000 1.230 608 F CA 0.726 58.487 58.000 -0.398 0.000 1.285 608 F CB 0.652 39.441 39.000 -0.352 0.000 1.208 608 F HN 0.763 nan 8.300 nan 0.000 0.579 609 A N 0.620 123.485 122.820 0.075 0.000 2.024 609 A HA -0.200 4.128 4.320 0.014 0.000 0.220 609 A C 1.541 179.090 177.584 -0.059 0.000 1.164 609 A CA 1.823 53.878 52.037 0.031 0.000 0.643 609 A CB -0.970 18.094 19.000 0.107 0.000 0.806 609 A HN 0.765 nan 8.150 nan 0.000 0.451 610 D N -3.003 117.364 120.400 -0.055 0.000 2.325 610 D HA 0.181 4.829 4.640 0.014 0.000 0.225 610 D C 0.573 176.825 176.300 -0.080 0.000 1.096 610 D CA -0.125 53.810 54.000 -0.108 0.000 0.844 610 D CB -0.033 40.703 40.800 -0.107 0.000 0.925 610 D HN 0.180 nan 8.370 nan 0.000 0.513 611 R N -1.859 118.595 120.500 -0.075 0.000 3.804 611 R HA -0.117 4.232 4.340 0.014 0.000 0.459 611 R C -0.256 176.005 176.300 -0.065 0.000 1.009 611 R CA 1.037 57.092 56.100 -0.074 0.000 1.210 611 R CB -3.232 27.069 30.300 0.001 0.000 1.860 611 R HN 0.244 nan 8.270 nan 0.000 0.526 612 T N 2.537 117.067 114.554 -0.039 0.000 2.884 612 T HA 0.390 4.749 4.350 0.014 0.000 0.298 612 T C -2.325 172.378 174.700 0.006 0.000 0.998 612 T CA -0.879 61.210 62.100 -0.019 0.000 1.124 612 T CB 1.113 69.929 68.868 -0.087 0.000 0.931 612 T HN -0.105 nan 8.240 nan 0.000 0.531 613 P HA 0.293 nan 4.420 nan 0.000 0.278 613 P C -0.388 176.841 177.300 -0.118 0.000 1.238 613 P CA -0.356 62.671 63.100 -0.121 0.000 0.794 613 P CB 0.492 32.164 31.700 -0.047 0.000 0.955 614 H N 2.289 121.241 119.070 -0.197 0.000 2.509 614 H HA 0.164 4.728 4.556 0.014 0.000 0.359 614 H C -1.243 174.012 175.328 -0.123 0.000 1.253 614 H CA -1.323 54.575 56.048 -0.250 0.000 1.373 614 H CB -0.041 29.518 29.762 -0.339 0.000 1.555 614 H HN 0.341 nan 8.280 nan 0.000 0.586 615 P HA -0.145 nan 4.420 nan 0.000 0.218 615 P C 0.934 178.245 177.300 0.019 0.000 1.149 615 P CA 1.644 64.758 63.100 0.023 0.000 0.817 615 P CB 0.040 31.761 31.700 0.035 0.000 0.785 616 A N -0.537 122.289 122.820 0.010 0.000 2.076 616 A HA -0.186 4.142 4.320 0.014 0.000 0.220 616 A C 2.053 179.598 177.584 -0.065 0.000 1.160 616 A CA 1.196 53.198 52.037 -0.058 0.000 0.653 616 A CB -1.600 17.324 19.000 -0.126 0.000 0.801 616 A HN 0.170 nan 8.150 nan 0.000 0.455 617 L N -0.217 120.995 121.223 -0.018 0.000 2.079 617 L HA -0.128 4.220 4.340 0.014 0.000 0.210 617 L C 2.368 179.292 176.870 0.090 0.000 1.081 617 L CA 2.691 57.553 54.840 0.036 0.000 0.752 617 L CB -0.781 41.299 42.059 0.035 0.000 0.896 617 L HN 0.364 nan 8.230 nan 0.000 0.433 618 T N -1.288 113.323 114.554 0.096 0.000 2.867 618 T HA -0.156 4.203 4.350 0.014 0.000 0.268 618 T C 1.692 176.509 174.700 0.196 0.000 1.057 618 T CA 1.246 63.462 62.100 0.194 0.000 1.136 618 T CB -0.130 68.837 68.868 0.165 0.000 0.874 618 T HN 0.330 nan 8.240 nan 0.000 0.466 619 E N 1.661 121.917 120.200 0.092 0.000 2.077 619 E HA -0.036 4.322 4.350 0.014 0.000 0.193 619 E C 2.245 178.862 176.600 0.030 0.000 0.989 619 E CA 1.316 57.770 56.400 0.090 0.000 0.800 619 E CB -0.501 29.216 29.700 0.029 0.000 0.746 619 E HN 0.446 nan 8.360 nan 0.000 0.452 620 A N 0.902 123.639 122.820 -0.139 0.000 1.898 620 A HA -0.195 4.133 4.320 0.014 0.000 0.216 620 A C 2.155 179.635 177.584 -0.172 0.000 1.181 620 A CA 1.828 53.729 52.037 -0.226 0.000 0.620 620 A CB -0.614 18.239 19.000 -0.246 0.000 0.819 620 A HN 0.259 nan 8.150 nan 0.000 0.442 621 K N -1.134 119.237 120.400 -0.048 0.000 2.103 621 K HA -0.291 4.037 4.320 0.014 0.000 0.207 621 K C 2.005 178.492 176.600 -0.188 0.000 1.048 621 K CA 2.030 58.288 56.287 -0.049 0.000 0.930 621 K CB -0.327 32.297 32.500 0.206 0.000 0.716 621 K HN 0.654 nan 8.250 nan 0.000 0.444 622 H N 0.256 119.141 119.070 -0.307 0.000 2.333 622 H HA 0.011 4.575 4.556 0.014 0.000 0.302 622 H C 1.917 176.970 175.328 -0.459 0.000 1.075 622 H CA 1.638 57.321 56.048 -0.608 0.000 1.348 622 H CB 0.137 29.580 29.762 -0.531 0.000 1.393 622 H HN 0.212 nan 8.280 nan 0.000 0.509 623 Q N 0.231 119.787 119.800 -0.407 0.000 2.230 623 Q HA -0.066 4.283 4.340 0.014 0.000 0.202 623 Q C 1.332 176.813 176.000 -0.865 0.000 0.963 623 Q CA 1.042 56.538 55.803 -0.511 0.000 0.866 623 Q CB 0.121 28.739 28.738 -0.201 0.000 0.931 623 Q HN 0.709 nan 8.270 nan 0.000 0.452 624 Q N 0.290 119.524 119.800 -0.944 0.000 2.247 624 Q HA 0.086 4.435 4.340 0.014 0.000 0.205 624 Q C -0.113 175.319 176.000 -0.947 0.000 0.896 624 Q CA -0.197 54.874 55.803 -1.220 0.000 0.950 624 Q CB 0.328 28.375 28.738 -1.152 0.000 1.054 624 Q HN 0.372 nan 8.270 nan 0.000 0.482 625 Q N -0.556 118.840 119.800 -0.674 0.000 2.479 625 Q HA -0.010 4.339 4.340 0.014 0.000 0.267 625 Q C -0.060 175.555 176.000 -0.642 0.000 1.071 625 Q CA 0.424 55.952 55.803 -0.458 0.000 0.935 625 Q CB 0.440 29.003 28.738 -0.292 0.000 1.295 625 Q HN 0.302 nan 8.270 nan 0.000 0.476 626 F N -0.515 119.184 119.950 -0.418 0.000 2.721 626 F HA 0.240 4.775 4.527 0.013 0.000 0.301 626 F C -0.172 175.018 175.800 -1.017 0.000 1.096 626 F CA -0.083 57.425 58.000 -0.820 0.000 1.308 626 F CB 0.643 38.851 39.000 -1.320 0.000 1.086 626 F HN 0.292 nan 8.300 nan 0.000 0.587 627 F N 0.612 120.452 119.950 -0.184 0.000 2.507 627 F HA 0.497 5.033 4.527 0.015 0.000 0.325 627 F C -0.064 175.342 175.800 -0.657 0.000 1.116 627 F CA -1.163 56.614 58.000 -0.371 0.000 0.930 627 F CB 1.203 39.970 39.000 -0.389 0.000 1.146 627 F HN -0.312 nan 8.300 nan 0.000 0.447 628 Q N 2.808 122.350 119.800 -0.431 0.000 2.266 628 Q HA 0.589 4.938 4.340 0.014 0.000 0.261 628 Q C -1.341 174.414 176.000 -0.407 0.000 0.985 628 Q CA -0.605 54.986 55.803 -0.355 0.000 0.873 628 Q CB 2.681 31.342 28.738 -0.128 0.000 1.306 628 Q HN 0.524 nan 8.270 nan 0.000 0.447 629 F N 0.531 120.604 119.950 0.205 0.000 2.576 629 F HA 0.597 5.133 4.527 0.015 0.000 0.313 629 F C 0.159 176.182 175.800 0.372 0.000 1.078 629 F CA -0.937 57.252 58.000 0.314 0.000 0.921 629 F CB 1.628 40.924 39.000 0.494 0.000 1.232 629 F HN 0.130 nan 8.300 nan 0.000 0.459 630 R N 1.628 122.423 120.500 0.492 0.000 2.725 630 R HA 0.691 5.039 4.340 0.014 0.000 0.277 630 R C -1.931 174.407 176.300 0.062 0.000 0.987 630 R CA -1.132 55.169 56.100 0.334 0.000 0.901 630 R CB 2.231 32.636 30.300 0.176 0.000 1.207 630 R HN 0.668 nan 8.270 nan 0.000 0.463 631 L N -0.049 121.084 121.223 -0.149 0.000 2.362 631 L HA 0.678 5.026 4.340 0.014 0.000 0.275 631 L C -0.868 175.849 176.870 -0.256 0.000 0.998 631 L CA 0.119 54.663 54.840 -0.494 0.000 0.820 631 L CB 2.240 43.558 42.059 -1.236 0.000 1.270 631 L HN 0.521 nan 8.230 nan 0.000 0.415 632 S N 3.533 119.106 115.700 -0.211 0.000 2.721 632 S HA 0.689 5.167 4.470 0.014 0.000 0.264 632 S C 0.253 174.768 174.600 -0.142 0.000 1.161 632 S CA 0.225 58.345 58.200 -0.134 0.000 1.113 632 S CB 0.337 63.490 63.200 -0.077 0.000 1.079 632 S HN 1.487 nan 8.310 nan 0.000 0.479 633 G N 4.022 112.738 108.800 -0.140 0.000 2.557 633 G HA2 -0.275 3.693 3.960 0.014 0.000 0.292 633 G HA3 -0.275 3.693 3.960 0.014 0.000 0.292 633 G C 0.359 175.157 174.900 -0.170 0.000 1.162 633 G CA 0.558 45.581 45.100 -0.128 0.000 0.964 633 G HN 0.623 nan 8.290 nan 0.000 0.541 634 Q N 0.908 120.611 119.800 -0.162 0.000 2.194 634 Q HA 0.244 4.592 4.340 0.014 0.000 0.214 634 Q C -0.031 175.836 176.000 -0.223 0.000 0.838 634 Q CA 0.451 56.132 55.803 -0.202 0.000 0.972 634 Q CB 0.857 29.493 28.738 -0.170 0.000 1.131 634 Q HN 0.491 nan 8.270 nan 0.000 0.498 635 T N 1.140 115.579 114.554 -0.192 0.000 2.767 635 T HA 0.464 4.822 4.350 0.014 0.000 0.284 635 T C 0.040 174.621 174.700 -0.198 0.000 0.973 635 T CA -0.243 61.756 62.100 -0.169 0.000 0.996 635 T CB 1.193 69.994 68.868 -0.111 0.000 0.927 635 T HN 0.050 nan 8.240 nan 0.000 0.456 636 I N 2.719 123.181 120.570 -0.181 0.000 2.359 636 I HA 0.315 4.493 4.170 0.014 0.000 0.294 636 I C 0.537 176.648 176.117 -0.010 0.000 0.987 636 I CA -0.620 60.591 61.300 -0.150 0.000 1.225 636 I CB 1.380 39.299 38.000 -0.134 0.000 1.366 636 I HN 0.589 nan 8.210 nan 0.000 0.466 637 E N 6.697 126.929 120.200 0.054 0.000 2.113 637 E HA 0.424 4.782 4.350 0.014 0.000 0.273 637 E C -1.627 175.082 176.600 0.182 0.000 0.924 637 E CA -0.566 55.890 56.400 0.094 0.000 0.764 637 E CB 1.615 31.354 29.700 0.064 0.000 1.104 637 E HN 0.345 nan 8.360 nan 0.000 0.406 638 V N 4.098 124.106 119.914 0.157 0.000 2.435 638 V HA 0.340 4.468 4.120 0.014 0.000 0.290 638 V C -0.019 176.120 176.094 0.075 0.000 1.030 638 V CA -0.537 61.843 62.300 0.133 0.000 0.881 638 V CB 1.785 33.698 31.823 0.150 0.000 0.983 638 V HN 0.712 nan 8.190 nan 0.000 0.445 639 T N 3.170 117.734 114.554 0.016 0.000 2.807 639 T HA 0.346 4.705 4.350 0.014 0.000 0.279 639 T C -0.092 174.637 174.700 0.048 0.000 0.993 639 T CA -0.277 61.841 62.100 0.029 0.000 0.970 639 T CB 1.559 70.421 68.868 -0.009 0.000 0.950 639 T HN 0.692 nan 8.240 nan 0.000 0.441 640 S N 1.797 117.543 115.700 0.076 0.000 2.537 640 S HA 0.221 4.699 4.470 0.014 0.000 0.275 640 S C 0.779 175.280 174.600 -0.166 0.000 1.272 640 S CA -0.535 57.652 58.200 -0.021 0.000 1.050 640 S CB 0.606 63.874 63.200 0.114 0.000 0.961 640 S HN 0.723 nan 8.310 nan 0.000 0.496 641 E N 2.862 122.847 120.200 -0.358 0.000 2.481 641 E HA 0.088 4.446 4.350 0.014 0.000 0.198 641 E C -0.712 175.720 176.600 -0.280 0.000 1.027 641 E CA -0.119 56.105 56.400 -0.294 0.000 0.900 641 E CB 0.246 29.739 29.700 -0.345 0.000 0.993 641 E HN 0.675 nan 8.360 nan 0.000 0.482 642 Y N 0.427 120.624 120.300 -0.172 0.000 2.457 642 Y HA -0.050 4.508 4.550 0.014 0.000 0.341 642 Y C 1.426 177.185 175.900 -0.234 0.000 1.240 642 Y CA 0.508 58.511 58.100 -0.161 0.000 1.437 642 Y CB 0.562 38.916 38.460 -0.177 0.000 1.328 642 Y HN -0.041 nan 8.280 nan 0.000 0.588 643 L N 0.689 121.778 121.223 -0.223 0.000 2.515 643 L HA 0.062 4.411 4.340 0.014 0.000 0.223 643 L C 0.620 177.036 176.870 -0.757 0.000 1.079 643 L CA 0.505 54.954 54.840 -0.652 0.000 0.857 643 L CB 0.023 41.303 42.059 -1.299 0.000 1.050 643 L HN 0.567 nan 8.230 nan 0.000 0.476 644 F N -0.570 119.408 119.950 0.047 0.000 2.658 644 F HA 0.208 4.743 4.527 0.012 0.000 0.293 644 F C 1.210 177.004 175.800 -0.009 0.000 0.986 644 F CA -0.766 57.233 58.000 -0.002 0.000 1.182 644 F CB 0.079 39.054 39.000 -0.041 0.000 0.965 644 F HN -0.154 nan 8.300 nan 0.000 0.659 645 R N 0.366 120.927 120.500 0.102 0.000 2.457 645 R HA 0.414 4.762 4.340 0.014 0.000 0.284 645 R C -0.798 175.504 176.300 0.004 0.000 1.024 645 R CA -0.615 55.481 56.100 -0.005 0.000 1.025 645 R CB 0.750 30.930 30.300 -0.200 0.000 1.063 645 R HN 0.097 nan 8.270 nan 0.000 0.493 646 H N 0.904 119.961 119.070 -0.021 0.000 2.607 646 H HA 0.070 4.634 4.556 0.014 0.000 0.367 646 H C 0.006 175.349 175.328 0.026 0.000 1.181 646 H CA 0.324 56.389 56.048 0.028 0.000 1.402 646 H CB 1.120 30.902 29.762 0.033 0.000 1.474 646 H HN 0.766 nan 8.280 nan 0.000 0.596 647 S N 1.952 117.508 115.700 -0.241 0.000 4.183 647 S HA -0.016 4.462 4.470 0.014 0.000 0.195 647 S C 0.020 174.707 174.600 0.146 0.000 1.421 647 S CA -0.267 57.964 58.200 0.051 0.000 0.920 647 S CB -0.714 62.543 63.200 0.096 0.000 1.525 647 S HN 0.709 nan 8.310 nan 0.000 0.447 648 D N 0.726 121.235 120.400 0.182 0.000 2.319 648 D HA 0.041 4.689 4.640 0.014 0.000 0.230 648 D C 0.295 176.659 176.300 0.106 0.000 1.094 648 D CA -0.209 53.901 54.000 0.183 0.000 0.856 648 D CB -0.366 40.524 40.800 0.151 0.000 0.915 648 D HN 0.511 nan 8.370 nan 0.000 0.517 649 N N 0.107 118.867 118.700 0.100 0.000 2.651 649 N HA 0.159 4.907 4.740 0.014 0.000 0.277 649 N C -1.620 173.953 175.510 0.104 0.000 1.787 649 N CA -0.216 52.884 53.050 0.082 0.000 0.818 649 N CB 0.320 38.843 38.487 0.060 0.000 1.316 649 N HN -0.066 nan 8.380 nan 0.000 0.503 650 E N -0.084 120.173 120.200 0.095 0.000 2.335 650 E HA 0.476 4.834 4.350 0.014 0.000 0.280 650 E C -1.875 174.767 176.600 0.070 0.000 0.918 650 E CA -0.697 55.750 56.400 0.079 0.000 0.765 650 E CB 2.284 31.992 29.700 0.013 0.000 1.218 650 E HN 0.220 nan 8.360 nan 0.000 0.425 651 L N 2.709 123.993 121.223 0.101 0.000 2.408 651 L HA 0.642 4.990 4.340 0.014 0.000 0.268 651 L C -1.931 175.073 176.870 0.222 0.000 0.986 651 L CA -0.817 54.118 54.840 0.158 0.000 0.820 651 L CB 1.579 43.766 42.059 0.215 0.000 1.303 651 L HN 0.639 nan 8.230 nan 0.000 0.411 652 L N 4.662 126.022 121.223 0.228 0.000 2.275 652 L HA 0.549 4.897 4.340 0.014 0.000 0.288 652 L C -0.992 176.124 176.870 0.409 0.000 1.046 652 L CA 0.136 55.147 54.840 0.286 0.000 0.805 652 L CB 0.434 42.630 42.059 0.229 0.000 1.193 652 L HN 0.681 nan 8.230 nan 0.000 0.426 653 H N 4.586 123.740 119.070 0.140 0.000 2.472 653 H HA 0.580 5.144 4.556 0.014 0.000 0.338 653 H C -1.081 174.359 175.328 0.186 0.000 1.133 653 H CA -0.630 55.472 56.048 0.089 0.000 1.216 653 H CB 1.095 30.865 29.762 0.012 0.000 1.497 653 H HN 0.621 nan 8.280 nan 0.000 0.500 654 W N 3.859 125.243 121.300 0.140 0.000 3.032 654 W HA 0.622 5.290 4.660 0.014 0.000 0.335 654 W C -1.624 174.948 176.519 0.088 0.000 1.154 654 W CA -1.268 56.142 57.345 0.109 0.000 1.204 654 W CB 1.184 30.687 29.460 0.072 0.000 1.416 654 W HN 0.510 nan 8.180 nan 0.000 0.521 655 M N 2.651 122.455 119.600 0.340 0.000 2.433 655 M HA 0.703 5.191 4.480 0.014 0.000 0.290 655 M C -2.148 174.350 176.300 0.330 0.000 1.173 655 M CA -1.048 54.333 55.300 0.135 0.000 0.905 655 M CB 1.879 34.489 32.600 0.017 0.000 1.692 655 M HN 0.122 nan 8.290 nan 0.000 0.462 656 V N 1.949 122.037 119.914 0.289 0.000 2.495 656 V HA 0.934 5.062 4.120 0.014 0.000 0.298 656 V C -0.356 175.848 176.094 0.183 0.000 1.031 656 V CA -0.411 62.064 62.300 0.292 0.000 0.871 656 V CB 1.639 33.663 31.823 0.335 0.000 0.988 656 V HN 1.060 nan 8.190 nan 0.000 0.432 657 A N 4.421 127.358 122.820 0.195 0.000 2.475 657 A HA 0.873 5.201 4.320 0.014 0.000 0.301 657 A C -1.441 176.256 177.584 0.188 0.000 1.059 657 A CA -0.620 51.500 52.037 0.139 0.000 0.710 657 A CB 1.678 20.726 19.000 0.080 0.000 1.288 657 A HN 0.815 nan 8.150 nan 0.000 0.408 658 L N 1.848 123.152 121.223 0.136 0.000 2.262 658 L HA 0.466 4.814 4.340 0.014 0.000 0.288 658 L C -0.490 176.478 176.870 0.163 0.000 1.035 658 L CA 0.271 55.203 54.840 0.153 0.000 0.820 658 L CB 0.198 42.315 42.059 0.096 0.000 1.204 658 L HN 0.765 nan 8.230 nan 0.000 0.424 659 D N 4.753 125.315 120.400 0.271 0.000 2.704 659 D HA -0.223 4.425 4.640 0.014 0.000 0.232 659 D C 1.146 177.504 176.300 0.097 0.000 1.183 659 D CA 1.327 55.489 54.000 0.270 0.000 0.647 659 D CB -1.141 39.782 40.800 0.205 0.000 1.013 659 D HN 1.168 nan 8.370 nan 0.000 0.415 660 G N -0.590 108.227 108.800 0.030 0.000 2.225 660 G HA2 -0.357 3.611 3.960 0.014 0.000 0.254 660 G HA3 -0.357 3.611 3.960 0.014 0.000 0.254 660 G C 0.174 175.003 174.900 -0.120 0.000 0.988 660 G CA 0.540 45.540 45.100 -0.166 0.000 0.625 660 G HN 0.515 nan 8.290 nan 0.000 0.527 661 K N 1.772 122.152 120.400 -0.033 0.000 2.253 661 K HA 0.483 4.811 4.320 0.014 0.000 0.277 661 K C -2.776 173.816 176.600 -0.012 0.000 1.053 661 K CA -2.006 54.261 56.287 -0.033 0.000 0.892 661 K CB 1.882 34.377 32.500 -0.008 0.000 1.102 661 K HN 0.032 nan 8.250 nan 0.000 0.469 662 P HA -0.100 nan 4.420 nan 0.000 0.262 662 P C 0.032 177.331 177.300 -0.002 0.000 1.182 662 P CA -0.013 63.072 63.100 -0.025 0.000 0.761 662 P CB 0.605 32.272 31.700 -0.055 0.000 0.795 663 L N 1.762 122.998 121.223 0.023 0.000 2.624 663 L HA 0.528 4.876 4.340 0.014 0.000 0.222 663 L C 0.408 177.300 176.870 0.037 0.000 1.046 663 L CA 0.765 55.629 54.840 0.040 0.000 0.872 663 L CB 0.200 42.306 42.059 0.080 0.000 1.190 663 L HN 0.465 nan 8.230 nan 0.000 0.487 664 A N -0.728 122.109 122.820 0.028 0.000 2.567 664 A HA 0.597 4.925 4.320 0.014 0.000 0.291 664 A C -1.049 176.389 177.584 -0.242 0.000 1.048 664 A CA 0.288 52.314 52.037 -0.018 0.000 0.661 664 A CB 1.130 20.228 19.000 0.165 0.000 1.288 664 A HN 0.236 nan 8.150 nan 0.000 0.424 665 S N -0.778 114.535 115.700 -0.644 0.000 2.597 665 S HA 0.910 5.388 4.470 0.014 0.000 0.274 665 S C -0.301 173.426 174.600 -1.456 0.000 1.132 665 S CA 0.057 57.488 58.200 -1.282 0.000 0.835 665 S CB 0.859 63.698 63.200 -0.602 0.000 1.092 665 S HN 2.646 nan 8.310 nan 0.000 0.457 666 G N 0.090 107.714 108.800 -1.960 0.000 2.606 666 G HA2 0.723 4.691 3.960 0.014 0.000 0.300 666 G HA3 0.723 4.691 3.960 0.014 0.000 0.300 666 G C -1.953 172.548 174.900 -0.665 0.000 1.360 666 G CA -0.365 44.174 45.100 -0.935 0.000 0.783 666 G HN 1.201 nan 8.290 nan 0.000 0.484 667 E N -1.766 118.294 120.200 -0.233 0.000 2.340 667 E HA 0.723 5.082 4.350 0.014 0.000 0.273 667 E C -1.649 174.977 176.600 0.043 0.000 0.891 667 E CA -0.950 55.338 56.400 -0.185 0.000 0.757 667 E CB 2.677 32.051 29.700 -0.543 0.000 1.231 667 E HN 0.522 nan 8.360 nan 0.000 0.439 668 V N 1.995 121.969 119.914 0.100 0.000 2.851 668 V HA 0.466 4.594 4.120 0.014 0.000 0.307 668 V C -2.522 173.631 176.094 0.098 0.000 1.129 668 V CA -1.891 60.473 62.300 0.107 0.000 0.932 668 V CB 1.976 33.880 31.823 0.136 0.000 1.024 668 V HN 0.728 nan 8.190 nan 0.000 0.426 669 P HA 0.372 nan 4.420 nan 0.000 0.274 669 P C -0.875 176.470 177.300 0.074 0.000 1.231 669 P CA -0.234 62.914 63.100 0.080 0.000 0.790 669 P CB 0.769 32.513 31.700 0.073 0.000 0.951 670 L N 2.373 123.630 121.223 0.056 0.000 2.307 670 L HA 0.371 4.719 4.340 0.014 0.000 0.282 670 L C 0.303 177.204 176.870 0.051 0.000 1.051 670 L CA -0.033 54.820 54.840 0.022 0.000 0.804 670 L CB 1.008 43.017 42.059 -0.083 0.000 1.197 670 L HN 0.331 nan 8.230 nan 0.000 0.431 671 D N 3.283 123.722 120.400 0.065 0.000 2.468 671 D HA 0.249 4.897 4.640 0.014 0.000 0.272 671 D C -1.427 174.896 176.300 0.038 0.000 1.221 671 D CA -0.078 54.011 54.000 0.148 0.000 0.860 671 D CB 1.299 42.220 40.800 0.201 0.000 1.190 671 D HN 0.117 nan 8.370 nan 0.000 0.509 672 V N 1.889 121.680 119.914 -0.205 0.000 2.540 672 V HA 0.869 4.998 4.120 0.014 0.000 0.302 672 V C -0.073 175.791 176.094 -0.383 0.000 1.035 672 V CA -0.447 61.766 62.300 -0.145 0.000 0.873 672 V CB 1.339 33.184 31.823 0.038 0.000 0.992 672 V HN 0.525 nan 8.190 nan 0.000 0.428 673 A N 8.742 131.495 122.820 -0.112 0.000 2.346 673 A HA 0.715 5.043 4.320 0.014 0.000 0.252 673 A C -2.427 175.168 177.584 0.019 0.000 1.089 673 A CA -1.355 50.691 52.037 0.015 0.000 0.797 673 A CB -0.097 18.987 19.000 0.141 0.000 1.047 673 A HN 0.763 nan 8.150 nan 0.000 0.494 674 P HA 0.030 nan 4.420 nan 0.000 0.264 674 P C -0.494 176.805 177.300 -0.001 0.000 1.193 674 P CA 0.552 63.670 63.100 0.029 0.000 0.763 674 P CB 0.675 32.372 31.700 -0.004 0.000 0.810 675 Q N -1.078 118.710 119.800 -0.020 0.000 2.305 675 Q HA -0.166 4.182 4.340 0.014 0.000 0.203 675 Q C 0.781 176.780 176.000 -0.002 0.000 0.663 675 Q CA 1.804 57.588 55.803 -0.031 0.000 1.389 675 Q CB -2.527 26.185 28.738 -0.043 0.000 1.566 675 Q HN 0.768 nan 8.270 nan 0.000 0.755 676 G N 0.312 109.125 108.800 0.022 0.000 2.547 676 G HA2 0.513 4.481 3.960 0.014 0.000 0.291 676 G HA3 0.513 4.481 3.960 0.014 0.000 0.291 676 G C -0.311 174.615 174.900 0.043 0.000 1.211 676 G CA -0.434 44.687 45.100 0.034 0.000 0.950 676 G HN -0.006 nan 8.290 nan 0.000 0.504 677 K N -0.873 119.553 120.400 0.045 0.000 2.385 677 K HA 0.514 4.842 4.320 0.014 0.000 0.248 677 K C -0.678 175.955 176.600 0.055 0.000 0.955 677 K CA -0.574 55.743 56.287 0.050 0.000 0.816 677 K CB 2.346 34.868 32.500 0.038 0.000 1.250 677 K HN 0.545 nan 8.250 nan 0.000 0.434 678 Q N 2.851 122.688 119.800 0.062 0.000 2.315 678 Q HA 0.404 4.752 4.340 0.014 0.000 0.273 678 Q C -1.693 174.340 176.000 0.055 0.000 1.053 678 Q CA -0.703 55.135 55.803 0.058 0.000 0.817 678 Q CB 1.331 30.107 28.738 0.062 0.000 1.326 678 Q HN 0.508 nan 8.270 nan 0.000 0.423 679 L N 4.691 125.936 121.223 0.036 0.000 2.282 679 L HA 0.563 4.911 4.340 0.014 0.000 0.288 679 L C -0.652 176.222 176.870 0.007 0.000 1.033 679 L CA -0.734 54.116 54.840 0.017 0.000 0.807 679 L CB 1.277 43.337 42.059 0.001 0.000 1.209 679 L HN 0.594 nan 8.230 nan 0.000 0.423 680 I N 3.243 123.805 120.570 -0.013 0.000 2.411 680 I HA 0.184 4.362 4.170 0.014 0.000 0.284 680 I C -0.333 175.722 176.117 -0.103 0.000 1.012 680 I CA -0.436 60.842 61.300 -0.038 0.000 1.119 680 I CB 1.648 39.636 38.000 -0.020 0.000 1.261 680 I HN 0.495 nan 8.210 nan 0.000 0.448 681 E N 7.343 127.483 120.200 -0.099 0.000 2.105 681 E HA 0.304 4.662 4.350 0.014 0.000 0.285 681 E C -0.264 176.221 176.600 -0.191 0.000 1.055 681 E CA -0.447 55.873 56.400 -0.133 0.000 0.843 681 E CB 1.374 31.021 29.700 -0.088 0.000 1.067 681 E HN 0.512 nan 8.360 nan 0.000 0.398 682 L N 4.491 125.532 121.223 -0.303 0.000 2.461 682 L HA 0.112 4.460 4.340 0.014 0.000 0.272 682 L C -1.816 174.883 176.870 -0.284 0.000 1.197 682 L CA -1.502 53.054 54.840 -0.473 0.000 0.836 682 L CB 0.020 41.727 42.059 -0.586 0.000 1.105 682 L HN 0.165 nan 8.230 nan 0.000 0.477 683 P HA -0.025 nan 4.420 nan 0.000 0.270 683 P C -0.434 176.832 177.300 -0.057 0.000 1.223 683 P CA -0.324 62.746 63.100 -0.049 0.000 0.785 683 P CB 0.344 32.108 31.700 0.106 0.000 0.923 684 E N 1.571 121.759 120.200 -0.019 0.000 2.529 684 E HA -0.053 4.305 4.350 0.014 0.000 0.259 684 E C -1.002 175.603 176.600 0.008 0.000 0.966 684 E CA 0.352 56.742 56.400 -0.015 0.000 0.937 684 E CB 0.070 29.770 29.700 -0.001 0.000 0.923 684 E HN 0.306 nan 8.360 nan 0.000 0.468 685 L N 8.089 129.310 121.223 -0.003 0.000 2.280 685 L HA 0.315 4.663 4.340 0.014 0.000 0.287 685 L C -1.930 174.958 176.870 0.029 0.000 1.023 685 L CA -1.944 52.913 54.840 0.028 0.000 0.819 685 L CB 1.559 43.638 42.059 0.034 0.000 1.212 685 L HN 0.491 nan 8.230 nan 0.000 0.420 686 P HA 0.003 nan 4.420 nan 0.000 0.269 686 P C -1.524 175.793 177.300 0.029 0.000 1.211 686 P CA -0.307 62.812 63.100 0.032 0.000 0.781 686 P CB 0.382 32.104 31.700 0.037 0.000 0.877 687 Q N 1.388 121.201 119.800 0.021 0.000 2.339 687 Q HA 0.504 4.852 4.340 0.014 0.000 0.268 687 Q C -2.546 173.466 176.000 0.019 0.000 1.027 687 Q CA -2.261 53.553 55.803 0.019 0.000 0.759 687 Q CB 0.325 29.070 28.738 0.013 0.000 1.244 687 Q HN 0.306 nan 8.270 nan 0.000 0.464 688 P HA 0.206 nan 4.420 nan 0.000 0.281 688 P C -0.696 176.617 177.300 0.021 0.000 1.252 688 P CA -0.422 62.693 63.100 0.024 0.000 0.778 688 P CB 1.346 33.065 31.700 0.032 0.000 0.895 689 E N 0.085 120.296 120.200 0.019 0.000 2.479 689 E HA 0.038 4.396 4.350 0.014 0.000 0.193 689 E C 0.704 177.316 176.600 0.021 0.000 1.049 689 E CA 0.007 56.417 56.400 0.017 0.000 0.870 689 E CB -0.094 29.614 29.700 0.013 0.000 0.944 689 E HN 0.314 nan 8.360 nan 0.000 0.492 690 S N 1.274 116.989 115.700 0.024 0.000 2.515 690 S HA 0.318 4.796 4.470 0.014 0.000 0.285 690 S C 0.427 175.047 174.600 0.034 0.000 1.265 690 S CA -0.443 57.775 58.200 0.029 0.000 1.079 690 S CB 0.065 63.284 63.200 0.031 0.000 0.877 690 S HN 0.329 nan 8.310 nan 0.000 0.493 691 A N 4.258 127.100 122.820 0.036 0.000 2.507 691 A HA 0.617 4.946 4.320 0.014 0.000 0.235 691 A C 1.002 178.616 177.584 0.051 0.000 1.070 691 A CA 0.402 52.462 52.037 0.039 0.000 0.768 691 A CB -0.543 18.481 19.000 0.040 0.000 1.011 691 A HN 1.862 nan 8.150 nan 0.000 0.502 692 G N -0.418 108.412 108.800 0.051 0.000 2.359 692 G HA2 0.466 4.434 3.960 0.014 0.000 0.314 692 G HA3 0.466 4.434 3.960 0.014 0.000 0.314 692 G C -1.217 173.714 174.900 0.051 0.000 1.364 692 G CA -0.232 44.911 45.100 0.073 0.000 0.978 692 G HN 1.146 nan 8.290 nan 0.000 0.615 693 Q N -0.211 119.631 119.800 0.071 0.000 2.290 693 Q HA 0.739 5.087 4.340 0.014 0.000 0.259 693 Q C -0.381 175.651 176.000 0.054 0.000 0.941 693 Q CA -0.567 55.223 55.803 -0.021 0.000 0.912 693 Q CB 1.328 30.018 28.738 -0.080 0.000 1.244 693 Q HN 0.576 nan 8.270 nan 0.000 0.441 694 L N 4.066 125.273 121.223 -0.026 0.000 2.350 694 L HA 0.502 4.851 4.340 0.014 0.000 0.275 694 L C -0.846 176.042 176.870 0.030 0.000 1.099 694 L CA -0.432 54.452 54.840 0.073 0.000 0.808 694 L CB 0.795 42.874 42.059 0.033 0.000 1.149 694 L HN 0.705 nan 8.230 nan 0.000 0.442 695 W N 3.841 125.192 121.300 0.085 0.000 2.883 695 W HA 0.466 5.134 4.660 0.013 0.000 0.335 695 W C -0.875 175.746 176.519 0.170 0.000 1.083 695 W CA -0.525 56.891 57.345 0.118 0.000 1.233 695 W CB 1.724 31.263 29.460 0.132 0.000 1.412 695 W HN 0.100 nan 8.180 nan 0.000 0.490 696 L N 3.404 124.904 121.223 0.462 0.000 2.282 696 L HA 0.725 5.074 4.340 0.014 0.000 0.288 696 L C -0.270 176.902 176.870 0.502 0.000 1.033 696 L CA 0.289 55.388 54.840 0.432 0.000 0.807 696 L CB 1.057 43.332 42.059 0.361 0.000 1.209 696 L HN 0.316 nan 8.230 nan 0.000 0.423 697 T N 5.174 119.971 114.554 0.405 0.000 2.824 697 T HA 0.664 5.022 4.350 0.014 0.000 0.282 697 T C -0.706 174.189 174.700 0.326 0.000 0.993 697 T CA -0.417 61.882 62.100 0.330 0.000 0.967 697 T CB 1.524 70.524 68.868 0.220 0.000 0.960 697 T HN 0.599 nan 8.240 nan 0.000 0.441 698 V N 1.682 121.760 119.914 0.275 0.000 2.769 698 V HA 0.857 4.985 4.120 0.014 0.000 0.312 698 V C -0.881 175.309 176.094 0.160 0.000 1.061 698 V CA -1.212 61.215 62.300 0.211 0.000 0.931 698 V CB 1.849 33.736 31.823 0.108 0.000 1.010 698 V HN 0.880 nan 8.190 nan 0.000 0.433 699 R N 2.484 123.097 120.500 0.189 0.000 2.673 699 R HA 0.775 5.124 4.340 0.014 0.000 0.281 699 R C -1.755 174.663 176.300 0.196 0.000 0.991 699 R CA -0.829 55.397 56.100 0.210 0.000 0.896 699 R CB 2.487 32.857 30.300 0.118 0.000 1.201 699 R HN 0.592 nan 8.270 nan 0.000 0.457 700 V N 2.979 123.043 119.914 0.249 0.000 2.394 700 V HA 0.408 4.536 4.120 0.014 0.000 0.282 700 V C -0.147 176.021 176.094 0.124 0.000 1.031 700 V CA -0.594 61.820 62.300 0.191 0.000 0.881 700 V CB 1.686 33.637 31.823 0.213 0.000 0.982 700 V HN 0.477 nan 8.190 nan 0.000 0.451 701 V N 4.749 124.692 119.914 0.048 0.000 2.823 701 V HA 0.448 4.576 4.120 0.014 0.000 0.312 701 V C -0.479 175.658 176.094 0.071 0.000 1.072 701 V CA -0.849 61.448 62.300 -0.005 0.000 0.937 701 V CB 2.168 33.868 31.823 -0.204 0.000 1.013 701 V HN 0.881 nan 8.190 nan 0.000 0.430 702 Q N 4.422 124.281 119.800 0.099 0.000 2.368 702 Q HA 0.297 4.646 4.340 0.014 0.000 0.256 702 Q C -1.849 174.185 176.000 0.057 0.000 0.980 702 Q CA -1.808 54.056 55.803 0.102 0.000 0.887 702 Q CB 2.060 30.873 28.738 0.125 0.000 1.221 702 Q HN 0.458 nan 8.270 nan 0.000 0.458 703 P HA -0.152 nan 4.420 nan 0.000 0.219 703 P C -0.521 176.788 177.300 0.016 0.000 1.150 703 P CA 1.083 64.208 63.100 0.043 0.000 0.814 703 P CB 0.373 32.107 31.700 0.056 0.000 0.787 704 N N -0.520 118.180 118.700 0.000 0.000 2.443 704 N HA 0.451 5.199 4.740 0.014 0.000 0.295 704 N C -0.298 175.165 175.510 -0.078 0.000 1.076 704 N CA -0.691 52.342 53.050 -0.029 0.000 0.919 704 N CB 1.085 39.557 38.487 -0.024 0.000 1.176 704 N HN -0.059 nan 8.380 nan 0.000 0.487 705 A N 0.761 123.527 122.820 -0.089 0.000 2.366 705 A HA 0.500 4.828 4.320 0.014 0.000 0.249 705 A C 0.559 178.021 177.584 -0.203 0.000 1.084 705 A CA -0.055 51.892 52.037 -0.150 0.000 0.794 705 A CB 0.058 18.995 19.000 -0.105 0.000 1.034 705 A HN 0.711 nan 8.150 nan 0.000 0.491 706 T N -3.215 111.135 114.554 -0.341 0.000 2.742 706 T HA 0.628 4.986 4.350 0.014 0.000 0.282 706 T C 0.914 175.442 174.700 -0.287 0.000 1.025 706 T CA 0.054 61.926 62.100 -0.379 0.000 1.020 706 T CB 1.087 69.501 68.868 -0.757 0.000 1.317 706 T HN 1.346 nan 8.240 nan 0.000 0.538 707 A N -0.148 122.582 122.820 -0.150 0.000 2.119 707 A HA 0.137 4.465 4.320 0.014 0.000 0.217 707 A C 1.552 179.259 177.584 0.206 0.000 1.153 707 A CA 0.891 52.958 52.037 0.050 0.000 0.692 707 A CB -0.841 18.237 19.000 0.129 0.000 0.799 707 A HN 0.904 nan 8.150 nan 0.000 0.458 708 W N -0.691 120.671 121.300 0.104 0.000 2.702 708 W HA 0.431 5.100 4.660 0.015 0.000 0.369 708 W C -0.275 176.209 176.519 -0.058 0.000 0.987 708 W CA 0.408 57.785 57.345 0.054 0.000 1.702 708 W CB -1.008 28.474 29.460 0.036 0.000 1.138 708 W HN 0.377 nan 8.180 nan 0.000 0.552 709 S N -0.069 115.233 115.700 -0.664 0.000 2.570 709 S HA 0.465 4.943 4.470 0.014 0.000 0.270 709 S C -0.855 173.531 174.600 -0.356 0.000 1.149 709 S CA -0.763 57.069 58.200 -0.614 0.000 0.837 709 S CB 2.771 65.247 63.200 -1.206 0.000 1.124 709 S HN 0.120 nan 8.310 nan 0.000 0.465 710 E N 0.487 120.588 120.200 -0.166 0.000 2.280 710 E HA 0.594 4.952 4.350 0.014 0.000 0.261 710 E C 0.223 176.791 176.600 -0.053 0.000 1.088 710 E CA -0.937 55.415 56.400 -0.081 0.000 0.915 710 E CB 1.211 30.907 29.700 -0.006 0.000 1.141 710 E HN 0.872 nan 8.360 nan 0.000 0.433 711 A N 0.281 123.078 122.820 -0.038 0.000 2.498 711 A HA 0.376 4.704 4.320 0.014 0.000 0.239 711 A C 1.138 178.731 177.584 0.016 0.000 1.068 711 A CA 0.787 52.814 52.037 -0.016 0.000 0.766 711 A CB -0.476 18.517 19.000 -0.012 0.000 1.003 711 A HN 0.805 nan 8.150 nan 0.000 0.497 712 G N 0.359 109.175 108.800 0.026 0.000 2.179 712 G HA2 -0.268 3.701 3.960 0.014 0.000 0.260 712 G HA3 -0.268 3.701 3.960 0.014 0.000 0.260 712 G C 0.282 175.202 174.900 0.034 0.000 0.977 712 G CA 0.803 45.912 45.100 0.015 0.000 0.641 712 G HN 1.825 nan 8.290 nan 0.000 0.533 713 H N 0.605 119.668 119.070 -0.011 0.000 3.094 713 H HA 0.373 4.937 4.556 0.014 0.000 0.320 713 H C 0.753 176.132 175.328 0.084 0.000 1.000 713 H CA 0.483 56.550 56.048 0.033 0.000 1.413 713 H CB 0.136 29.906 29.762 0.013 0.000 1.405 713 H HN 0.323 nan 8.280 nan 0.000 0.586 714 I N 4.714 125.006 120.570 -0.463 0.000 2.315 714 I HA 0.035 4.213 4.170 0.014 0.000 0.291 714 I C 0.979 176.934 176.117 -0.269 0.000 1.006 714 I CA 0.088 61.251 61.300 -0.229 0.000 1.265 714 I CB 1.465 39.400 38.000 -0.109 0.000 1.387 714 I HN 0.789 nan 8.210 nan 0.000 0.475 715 S N 4.247 120.010 115.700 0.105 0.000 2.502 715 S HA 0.534 5.012 4.470 0.014 0.000 0.215 715 S C 0.480 175.335 174.600 0.425 0.000 1.009 715 S CA -0.005 58.405 58.200 0.350 0.000 0.908 715 S CB 0.534 64.048 63.200 0.523 0.000 0.801 715 S HN 0.698 nan 8.310 nan 0.000 0.505 716 A N 0.440 123.548 122.820 0.479 0.000 2.612 716 A HA 0.691 5.019 4.320 0.014 0.000 0.293 716 A C -1.789 176.166 177.584 0.618 0.000 1.075 716 A CA -0.921 51.382 52.037 0.443 0.000 0.680 716 A CB 0.479 19.802 19.000 0.538 0.000 1.279 716 A HN 0.915 nan 8.150 nan 0.000 0.411 717 W N -0.392 121.106 121.300 0.330 0.000 3.005 717 W HA 0.799 5.468 4.660 0.015 0.000 0.343 717 W C -1.191 175.412 176.519 0.141 0.000 1.243 717 W CA -0.599 56.836 57.345 0.151 0.000 1.186 717 W CB 1.165 30.667 29.460 0.070 0.000 1.453 717 W HN 1.044 nan 8.180 nan 0.000 0.575 718 Q N 0.977 120.863 119.800 0.142 0.000 2.594 718 Q HA 0.407 4.756 4.340 0.014 0.000 0.278 718 Q C -1.752 174.111 176.000 -0.229 0.000 0.961 718 Q CA -0.443 55.286 55.803 -0.123 0.000 0.844 718 Q CB 2.293 30.774 28.738 -0.429 0.000 1.475 718 Q HN 0.629 nan 8.270 nan 0.000 0.389 719 Q N 1.331 120.934 119.800 -0.327 0.000 2.423 719 Q HA 0.653 5.002 4.340 0.014 0.000 0.278 719 Q C -1.237 174.645 176.000 -0.197 0.000 1.097 719 Q CA -0.696 55.082 55.803 -0.043 0.000 0.809 719 Q CB 2.249 31.141 28.738 0.256 0.000 1.391 719 Q HN 0.613 nan 8.270 nan 0.000 0.428 720 W N 1.089 122.559 121.300 0.283 0.000 3.127 720 W HA 0.444 5.112 4.660 0.013 0.000 0.330 720 W C -0.418 176.061 176.519 -0.067 0.000 1.187 720 W CA -0.651 56.762 57.345 0.114 0.000 1.198 720 W CB 1.807 31.291 29.460 0.040 0.000 1.408 720 W HN 0.440 nan 8.180 nan 0.000 0.529 721 R N 1.723 122.107 120.500 -0.194 0.000 2.441 721 R HA 0.482 4.830 4.340 0.014 0.000 0.284 721 R C 0.465 176.624 176.300 -0.234 0.000 1.070 721 R CA -0.160 55.552 56.100 -0.647 0.000 1.047 721 R CB 1.129 30.971 30.300 -0.763 0.000 1.016 721 R HN 0.304 nan 8.270 nan 0.000 0.477 722 L N 1.139 122.232 121.223 -0.217 0.000 2.783 722 L HA 0.544 4.892 4.340 0.014 0.000 0.205 722 L C 0.536 177.328 176.870 -0.130 0.000 1.985 722 L CA -1.113 53.659 54.840 -0.114 0.000 2.546 722 L CB -0.078 41.953 42.059 -0.048 0.000 2.829 722 L HN 0.587 nan 8.230 nan 0.000 0.614 723 A N 0.357 123.127 122.820 -0.083 0.000 2.445 723 A HA 0.198 4.527 4.320 0.014 0.000 0.242 723 A C -0.290 177.246 177.584 -0.080 0.000 1.075 723 A CA 0.202 52.196 52.037 -0.072 0.000 0.777 723 A CB 0.091 19.066 19.000 -0.042 0.000 1.013 723 A HN 0.613 nan 8.150 nan 0.000 0.493 724 E N 1.261 121.418 120.200 -0.072 0.000 2.210 724 E HA 0.308 4.667 4.350 0.014 0.000 0.266 724 E C -1.340 175.243 176.600 -0.028 0.000 0.883 724 E CA -0.702 55.661 56.400 -0.062 0.000 0.761 724 E CB 0.837 30.489 29.700 -0.080 0.000 1.156 724 E HN 0.692 nan 8.360 nan 0.000 0.412 725 N N 5.150 123.845 118.700 -0.008 0.000 2.564 725 N HA 0.259 5.007 4.740 0.014 0.000 0.248 725 N C -0.610 174.908 175.510 0.013 0.000 0.986 725 N CA -0.336 52.716 53.050 0.004 0.000 0.921 725 N CB 1.155 39.648 38.487 0.010 0.000 1.136 725 N HN 0.474 nan 8.380 nan 0.000 0.509 726 L N 0.864 122.094 121.223 0.012 0.000 2.456 726 L HA 0.112 4.460 4.340 0.014 0.000 0.272 726 L C 1.323 178.209 176.870 0.026 0.000 1.189 726 L CA 0.033 54.886 54.840 0.021 0.000 0.846 726 L CB 0.527 42.598 42.059 0.019 0.000 1.111 726 L HN 0.368 nan 8.230 nan 0.000 0.475 727 S N 1.922 117.643 115.700 0.035 0.000 2.505 727 S HA 0.265 4.743 4.470 0.014 0.000 0.276 727 S C 0.474 175.093 174.600 0.032 0.000 1.274 727 S CA -0.777 57.444 58.200 0.036 0.000 1.053 727 S CB 0.842 64.069 63.200 0.045 0.000 0.919 727 S HN 0.470 nan 8.310 nan 0.000 0.490 728 V N 2.088 122.019 119.914 0.027 0.000 3.253 728 V HA 0.369 4.498 4.120 0.014 0.000 0.320 728 V C 0.443 176.551 176.094 0.023 0.000 1.442 728 V CA 0.010 62.324 62.300 0.024 0.000 1.097 728 V CB -0.583 31.251 31.823 0.019 0.000 1.008 728 V HN 0.862 nan 8.190 nan 0.000 0.463 729 T N 0.316 114.886 114.554 0.026 0.000 2.767 729 T HA 0.740 5.098 4.350 0.014 0.000 0.288 729 T C -0.342 174.373 174.700 0.025 0.000 0.963 729 T CA -0.471 61.643 62.100 0.024 0.000 1.019 729 T CB 1.525 70.408 68.868 0.025 0.000 0.923 729 T HN 0.207 nan 8.240 nan 0.000 0.468 730 L N 5.174 126.409 121.223 0.020 0.000 2.410 730 L HA 0.346 4.694 4.340 0.014 0.000 0.273 730 L C -1.315 175.565 176.870 0.017 0.000 1.152 730 L CA -1.338 53.512 54.840 0.018 0.000 0.855 730 L CB -0.707 41.359 42.059 0.011 0.000 1.129 730 L HN 0.582 nan 8.230 nan 0.000 0.463 731 P HA 0.154 nan 4.420 nan 0.000 0.269 731 P C -0.570 176.732 177.300 0.004 0.000 1.217 731 P CA -0.588 62.524 63.100 0.020 0.000 0.783 731 P CB 0.447 32.160 31.700 0.023 0.000 0.898 732 A N 1.608 124.435 122.820 0.010 0.000 2.540 732 A HA 0.405 4.733 4.320 0.014 0.000 0.239 732 A C 0.778 178.314 177.584 -0.080 0.000 1.061 732 A CA 0.112 52.146 52.037 -0.006 0.000 0.758 732 A CB -0.626 18.399 19.000 0.041 0.000 0.991 732 A HN 0.738 nan 8.150 nan 0.000 0.502 733 A N 2.887 125.641 122.820 -0.110 0.000 2.540 733 A HA 0.402 4.731 4.320 0.014 0.000 0.239 733 A C 0.928 178.280 177.584 -0.388 0.000 1.061 733 A CA 0.157 52.092 52.037 -0.169 0.000 0.758 733 A CB -0.258 18.683 19.000 -0.098 0.000 0.991 733 A HN 1.097 nan 8.150 nan 0.000 0.502 734 S N 1.985 117.512 115.700 -0.287 0.000 2.752 734 S HA 0.031 4.509 4.470 0.014 0.000 0.329 734 S C 0.951 175.415 174.600 -0.227 0.000 1.204 734 S CA 0.249 58.284 58.200 -0.276 0.000 1.252 734 S CB -0.437 62.702 63.200 -0.101 0.000 1.053 734 S HN 0.812 nan 8.310 nan 0.000 0.533 735 H N 2.238 121.321 119.070 0.022 0.000 2.319 735 H HA 0.122 4.686 4.556 0.014 0.000 0.299 735 H C 1.148 176.488 175.328 0.020 0.000 1.092 735 H CA 1.246 57.305 56.048 0.019 0.000 1.302 735 H CB 0.054 29.826 29.762 0.017 0.000 1.373 735 H HN 0.629 nan 8.280 nan 0.000 0.497 736 A N 0.569 123.462 122.820 0.122 0.000 2.578 736 A HA 0.699 5.027 4.320 0.014 0.000 0.255 736 A C -0.891 176.728 177.584 0.059 0.000 1.251 736 A CA -0.598 51.487 52.037 0.081 0.000 0.882 736 A CB 1.066 20.113 19.000 0.077 0.000 1.416 736 A HN 0.312 nan 8.150 nan 0.000 0.462 737 I N -0.670 119.942 120.570 0.069 0.000 2.571 737 I HA 0.576 4.755 4.170 0.014 0.000 0.289 737 I C -3.112 173.078 176.117 0.122 0.000 1.115 737 I CA -2.251 59.099 61.300 0.083 0.000 1.045 737 I CB 2.450 40.504 38.000 0.091 0.000 1.238 737 I HN 0.271 nan 8.210 nan 0.000 0.424 738 P HA 0.276 nan 4.420 nan 0.000 0.272 738 P C -1.391 176.059 177.300 0.251 0.000 1.223 738 P CA 0.220 63.396 63.100 0.125 0.000 0.784 738 P CB 0.338 32.070 31.700 0.054 0.000 0.923 739 H N 0.478 119.582 119.070 0.058 0.000 2.492 739 H HA 0.427 4.992 4.556 0.014 0.000 0.345 739 H C -0.642 174.718 175.328 0.053 0.000 1.136 739 H CA -1.099 54.974 56.048 0.040 0.000 1.202 739 H CB 1.696 31.482 29.762 0.040 0.000 1.524 739 H HN 0.260 nan 8.280 nan 0.000 0.506 740 L N 2.140 123.438 121.223 0.125 0.000 2.307 740 L HA 0.334 4.682 4.340 0.014 0.000 0.282 740 L C -0.439 176.493 176.870 0.103 0.000 1.051 740 L CA 0.064 54.959 54.840 0.092 0.000 0.804 740 L CB 1.565 43.624 42.059 0.000 0.000 1.197 740 L HN 0.545 nan 8.230 nan 0.000 0.431 741 T N 3.436 118.078 114.554 0.147 0.000 2.840 741 T HA 0.515 4.873 4.350 0.014 0.000 0.287 741 T C -0.528 174.285 174.700 0.189 0.000 0.991 741 T CA -0.351 61.828 62.100 0.133 0.000 0.964 741 T CB 1.194 70.128 68.868 0.110 0.000 0.954 741 T HN 0.702 nan 8.240 nan 0.000 0.438 742 T N 2.840 117.497 114.554 0.172 0.000 2.888 742 T HA 0.777 5.136 4.350 0.014 0.000 0.284 742 T C -0.168 174.583 174.700 0.085 0.000 1.017 742 T CA -0.715 61.513 62.100 0.213 0.000 1.022 742 T CB 1.367 70.381 68.868 0.243 0.000 1.013 742 T HN 0.714 nan 8.240 nan 0.000 0.465 743 S N 0.631 116.335 115.700 0.007 0.000 2.651 743 S HA 0.444 4.923 4.470 0.014 0.000 0.279 743 S C 0.764 175.307 174.600 -0.094 0.000 1.148 743 S CA -0.893 57.291 58.200 -0.027 0.000 0.837 743 S CB 1.795 64.986 63.200 -0.015 0.000 1.138 743 S HN 0.725 nan 8.310 nan 0.000 0.478 744 E N -0.417 119.740 120.200 -0.071 0.000 2.153 744 E HA -0.160 4.198 4.350 0.014 0.000 0.194 744 E C 1.516 178.033 176.600 -0.139 0.000 0.988 744 E CA 1.271 57.613 56.400 -0.096 0.000 0.811 744 E CB -0.116 29.552 29.700 -0.054 0.000 0.746 744 E HN 0.644 nan 8.360 nan 0.000 0.466 745 M N 0.299 119.835 119.600 -0.107 0.000 2.476 745 M HA 0.092 4.580 4.480 0.014 0.000 0.262 745 M C -0.549 175.677 176.300 -0.123 0.000 1.111 745 M CA 0.785 56.028 55.300 -0.094 0.000 1.127 745 M CB 0.785 33.362 32.600 -0.038 0.000 1.376 745 M HN -0.177 nan 8.290 nan 0.000 0.465 746 D N -1.452 118.854 120.400 -0.156 0.000 2.583 746 D HA 0.268 4.916 4.640 0.014 0.000 0.248 746 D C -1.560 174.622 176.300 -0.196 0.000 1.209 746 D CA -0.332 53.588 54.000 -0.134 0.000 0.848 746 D CB 1.511 42.332 40.800 0.035 0.000 1.431 746 D HN -0.119 nan 8.370 nan 0.000 0.436 747 F N 1.002 121.038 119.950 0.143 0.000 2.426 747 F HA 0.355 4.890 4.527 0.014 0.000 0.348 747 F C 0.102 176.036 175.800 0.224 0.000 1.124 747 F CA -0.763 57.318 58.000 0.135 0.000 1.008 747 F CB 1.171 40.216 39.000 0.074 0.000 1.139 747 F HN 0.127 nan 8.300 nan 0.000 0.452 748 C N 4.714 124.236 119.300 0.370 0.000 2.411 748 C HA 0.795 5.264 4.460 0.014 0.000 0.330 748 C C -0.290 174.884 174.990 0.308 0.000 1.224 748 C CA -0.735 58.479 59.018 0.326 0.000 1.770 748 C CB 0.848 28.711 27.740 0.205 0.000 2.297 748 C HN 0.516 nan 8.230 nan 0.000 0.507 749 I N 2.252 123.049 120.570 0.378 0.000 2.545 749 I HA 0.524 4.702 4.170 0.014 0.000 0.292 749 I C -0.141 176.232 176.117 0.425 0.000 1.040 749 I CA -0.253 61.252 61.300 0.342 0.000 1.068 749 I CB 1.518 39.699 38.000 0.300 0.000 1.251 749 I HN 0.650 nan 8.210 nan 0.000 0.424 750 E N 5.085 125.468 120.200 0.304 0.000 2.266 750 E HA 0.779 5.137 4.350 0.014 0.000 0.268 750 E C -1.879 174.853 176.600 0.220 0.000 0.879 750 E CA -0.853 55.692 56.400 0.242 0.000 0.762 750 E CB 2.483 32.236 29.700 0.088 0.000 1.199 750 E HN 0.542 nan 8.360 nan 0.000 0.422 751 L N 4.445 125.809 121.223 0.235 0.000 2.596 751 L HA 0.531 4.879 4.340 0.014 0.000 0.265 751 L C 0.059 176.983 176.870 0.090 0.000 0.962 751 L CA 0.627 55.571 54.840 0.175 0.000 0.891 751 L CB 1.287 43.515 42.059 0.280 0.000 1.248 751 L HN 0.793 nan 8.230 nan 0.000 0.410 752 G N 4.338 113.146 108.800 0.014 0.000 2.596 752 G HA2 -0.408 3.560 3.960 0.014 0.000 0.295 752 G HA3 -0.408 3.560 3.960 0.014 0.000 0.295 752 G C 0.366 175.244 174.900 -0.036 0.000 1.240 752 G CA 0.570 45.664 45.100 -0.010 0.000 0.985 752 G HN 1.346 nan 8.290 nan 0.000 0.555 753 N N 1.252 119.924 118.700 -0.046 0.000 2.322 753 N HA 0.162 4.910 4.740 0.014 0.000 0.216 753 N C 0.161 175.607 175.510 -0.106 0.000 1.144 753 N CA 0.493 53.500 53.050 -0.073 0.000 0.830 753 N CB 0.270 38.718 38.487 -0.065 0.000 1.034 753 N HN 0.726 nan 8.380 nan 0.000 0.484 754 K N 0.830 121.155 120.400 -0.125 0.000 2.221 754 K HA 0.479 4.808 4.320 0.014 0.000 0.258 754 K C -0.219 176.195 176.600 -0.311 0.000 0.944 754 K CA -0.676 55.426 56.287 -0.309 0.000 0.823 754 K CB 1.822 34.072 32.500 -0.415 0.000 1.113 754 K HN 0.149 nan 8.250 nan 0.000 0.431 755 R N 2.211 122.471 120.500 -0.400 0.000 2.725 755 R HA 0.457 4.805 4.340 0.014 0.000 0.277 755 R C -1.098 175.141 176.300 -0.102 0.000 0.987 755 R CA -0.960 55.087 56.100 -0.089 0.000 0.901 755 R CB 1.803 32.064 30.300 -0.065 0.000 1.207 755 R HN 0.549 nan 8.270 nan 0.000 0.463 756 W N 1.686 123.107 121.300 0.201 0.000 2.883 756 W HA 0.341 5.009 4.660 0.014 0.000 0.335 756 W C -0.507 176.100 176.519 0.147 0.000 1.083 756 W CA -0.594 56.799 57.345 0.080 0.000 1.233 756 W CB 2.614 32.096 29.460 0.036 0.000 1.412 756 W HN 0.484 nan 8.180 nan 0.000 0.490 757 Q N 2.585 122.502 119.800 0.195 0.000 2.330 757 Q HA 0.459 4.807 4.340 0.014 0.000 0.269 757 Q C -1.941 174.017 176.000 -0.070 0.000 1.022 757 Q CA -0.493 55.431 55.803 0.202 0.000 0.796 757 Q CB 1.550 30.481 28.738 0.322 0.000 1.271 757 Q HN 0.373 nan 8.270 nan 0.000 0.450 758 F N 2.868 122.905 119.950 0.145 0.000 2.402 758 F HA 0.317 4.852 4.527 0.014 0.000 0.355 758 F C 0.536 176.363 175.800 0.044 0.000 1.123 758 F CA -0.831 57.218 58.000 0.082 0.000 1.021 758 F CB 1.350 40.406 39.000 0.092 0.000 1.160 758 F HN 0.497 nan 8.300 nan 0.000 0.451 759 N N 3.606 122.412 118.700 0.176 0.000 2.452 759 N HA 0.078 4.827 4.740 0.014 0.000 0.266 759 N C 0.856 176.380 175.510 0.024 0.000 1.175 759 N CA 0.054 53.155 53.050 0.085 0.000 0.945 759 N CB 0.765 39.311 38.487 0.098 0.000 1.063 759 N HN 0.704 nan 8.380 nan 0.000 0.472 760 R N 2.292 122.738 120.500 -0.089 0.000 2.276 760 R HA -0.063 4.286 4.340 0.014 0.000 0.203 760 R C 1.611 177.851 176.300 -0.100 0.000 1.017 760 R CA 0.619 56.621 56.100 -0.164 0.000 1.010 760 R CB 0.209 30.299 30.300 -0.351 0.000 0.900 760 R HN 0.675 nan 8.270 nan 0.000 0.469 761 Q N 0.191 119.960 119.800 -0.052 0.000 2.204 761 Q HA -0.052 4.296 4.340 0.014 0.000 0.198 761 Q C 1.808 177.798 176.000 -0.016 0.000 0.946 761 Q CA 1.474 57.258 55.803 -0.032 0.000 0.859 761 Q CB 0.368 29.104 28.738 -0.004 0.000 0.946 761 Q HN 0.269 nan 8.270 nan 0.000 0.474 762 S N -1.998 113.715 115.700 0.021 0.000 2.492 762 S HA 0.231 4.709 4.470 0.014 0.000 0.218 762 S C 1.397 175.921 174.600 -0.127 0.000 1.016 762 S CA 0.515 58.746 58.200 0.052 0.000 0.916 762 S CB 0.614 63.949 63.200 0.226 0.000 0.791 762 S HN 0.608 nan 8.310 nan 0.000 0.513 763 G N 0.483 109.220 108.800 -0.106 0.000 2.148 763 G HA2 -0.209 3.760 3.960 0.014 0.000 0.254 763 G HA3 -0.209 3.760 3.960 0.014 0.000 0.254 763 G C -0.197 174.599 174.900 -0.175 0.000 0.981 763 G CA 0.375 45.385 45.100 -0.150 0.000 0.670 763 G HN 0.477 nan 8.290 nan 0.000 0.528 764 F N -1.228 118.902 119.950 0.301 0.000 2.556 764 F HA 0.705 5.240 4.527 0.014 0.000 0.327 764 F C 0.438 176.295 175.800 0.095 0.000 1.059 764 F CA -1.763 56.387 58.000 0.250 0.000 0.953 764 F CB 1.277 40.374 39.000 0.162 0.000 1.227 764 F HN 0.003 nan 8.300 nan 0.000 0.478 765 L N 1.974 123.271 121.223 0.123 0.000 2.565 765 L HA 0.149 4.497 4.340 0.014 0.000 0.275 765 L C 1.060 177.834 176.870 -0.161 0.000 1.137 765 L CA 0.526 55.092 54.840 -0.458 0.000 0.915 765 L CB -0.015 41.751 42.059 -0.489 0.000 1.232 765 L HN 0.710 nan 8.230 nan 0.000 0.473 766 S N 2.673 118.277 115.700 -0.160 0.000 2.503 766 S HA 0.230 4.709 4.470 0.014 0.000 0.215 766 S C 0.590 175.063 174.600 -0.211 0.000 1.003 766 S CA 0.003 58.146 58.200 -0.094 0.000 0.910 766 S CB 0.134 63.331 63.200 -0.005 0.000 0.790 766 S HN 0.685 nan 8.310 nan 0.000 0.514 767 Q N -0.285 119.326 119.800 -0.314 0.000 2.578 767 Q HA 0.677 5.026 4.340 0.014 0.000 0.284 767 Q C -1.999 173.646 176.000 -0.591 0.000 0.960 767 Q CA -0.327 55.147 55.803 -0.548 0.000 0.809 767 Q CB 1.714 29.984 28.738 -0.779 0.000 1.462 767 Q HN 0.441 nan 8.270 nan 0.000 0.392 768 M N 1.466 120.609 119.600 -0.762 0.000 2.470 768 M HA 0.590 5.079 4.480 0.014 0.000 0.285 768 M C -1.542 174.410 176.300 -0.580 0.000 1.213 768 M CA -0.402 54.552 55.300 -0.578 0.000 0.901 768 M CB 2.273 34.514 32.600 -0.599 0.000 1.718 768 M HN 0.510 nan 8.290 nan 0.000 0.469 769 W N 2.688 123.762 121.300 -0.378 0.000 2.915 769 W HA 0.585 5.253 4.660 0.014 0.000 0.337 769 W C -1.506 174.821 176.519 -0.320 0.000 1.102 769 W CA -0.773 56.407 57.345 -0.274 0.000 1.224 769 W CB 1.829 31.169 29.460 -0.199 0.000 1.416 769 W HN 0.355 nan 8.180 nan 0.000 0.503 770 I N 2.495 123.069 120.570 0.007 0.000 2.390 770 I HA 0.473 4.651 4.170 0.014 0.000 0.283 770 I C 0.786 176.893 176.117 -0.018 0.000 1.016 770 I CA 0.364 61.620 61.300 -0.072 0.000 1.151 770 I CB 0.709 38.648 38.000 -0.103 0.000 1.293 770 I HN 0.723 nan 8.210 nan 0.000 0.458 771 G N 5.509 114.287 108.800 -0.036 0.000 2.550 771 G HA2 -0.325 3.644 3.960 0.014 0.000 0.277 771 G HA3 -0.325 3.644 3.960 0.014 0.000 0.277 771 G C 0.296 175.200 174.900 0.006 0.000 1.190 771 G CA 0.543 45.624 45.100 -0.032 0.000 0.971 771 G HN 0.643 nan 8.290 nan 0.000 0.559 772 D N 0.657 121.069 120.400 0.020 0.000 2.339 772 D HA 0.352 5.000 4.640 0.014 0.000 0.217 772 D C 0.878 177.303 176.300 0.208 0.000 1.050 772 D CA 0.753 54.795 54.000 0.071 0.000 0.856 772 D CB 0.358 41.170 40.800 0.020 0.000 0.922 772 D HN 0.571 nan 8.370 nan 0.000 0.518 773 K N 1.794 122.280 120.400 0.144 0.000 2.276 773 K HA 0.149 4.478 4.320 0.014 0.000 0.285 773 K C -0.336 176.281 176.600 0.027 0.000 1.062 773 K CA -0.531 55.804 56.287 0.081 0.000 0.918 773 K CB 0.668 33.170 32.500 0.003 0.000 1.055 773 K HN -0.210 nan 8.250 nan 0.000 0.477 774 K N 3.282 123.629 120.400 -0.089 0.000 2.382 774 K HA 0.020 4.348 4.320 0.014 0.000 0.275 774 K C 0.422 176.852 176.600 -0.283 0.000 1.009 774 K CA -0.152 55.884 56.287 -0.418 0.000 0.970 774 K CB 0.796 33.075 32.500 -0.368 0.000 0.934 774 K HN 0.640 nan 8.250 nan 0.000 0.479 775 Q N 1.431 121.029 119.800 -0.336 0.000 2.280 775 Q HA 0.192 4.540 4.340 0.014 0.000 0.228 775 Q C 0.025 175.951 176.000 -0.122 0.000 0.857 775 Q CA 0.336 56.059 55.803 -0.133 0.000 0.939 775 Q CB 0.643 29.351 28.738 -0.050 0.000 1.114 775 Q HN 0.498 nan 8.270 nan 0.000 0.514 776 L N 0.862 121.942 121.223 -0.238 0.000 2.346 776 L HA 0.394 4.742 4.340 0.014 0.000 0.276 776 L C 0.940 177.679 176.870 -0.218 0.000 1.006 776 L CA -0.373 54.343 54.840 -0.206 0.000 0.817 776 L CB 1.688 43.613 42.059 -0.224 0.000 1.272 776 L HN -0.082 nan 8.230 nan 0.000 0.421 777 L N 0.323 121.416 121.223 -0.218 0.000 2.357 777 L HA 0.221 4.570 4.340 0.014 0.000 0.211 777 L C 0.303 177.067 176.870 -0.176 0.000 1.075 777 L CA 0.742 55.465 54.840 -0.195 0.000 0.830 777 L CB 0.180 42.121 42.059 -0.197 0.000 0.996 777 L HN 0.596 nan 8.230 nan 0.000 0.467 778 T N -0.099 114.321 114.554 -0.224 0.000 2.912 778 T HA 0.409 4.767 4.350 0.014 0.000 0.299 778 T C -2.568 172.057 174.700 -0.125 0.000 1.052 778 T CA -1.177 60.842 62.100 -0.136 0.000 0.996 778 T CB 2.470 71.259 68.868 -0.132 0.000 1.070 778 T HN -0.279 nan 8.240 nan 0.000 0.465 779 P HA 0.139 nan 4.420 nan 0.000 0.269 779 P C -0.643 176.617 177.300 -0.066 0.000 1.217 779 P CA -0.660 62.408 63.100 -0.054 0.000 0.783 779 P CB 0.406 32.110 31.700 0.006 0.000 0.898 780 L N 3.644 124.862 121.223 -0.009 0.000 2.325 780 L HA 0.256 4.604 4.340 0.014 0.000 0.284 780 L C 0.077 176.889 176.870 -0.098 0.000 1.089 780 L CA 0.622 55.487 54.840 0.043 0.000 0.836 780 L CB -0.542 41.650 42.059 0.222 0.000 1.184 780 L HN 0.270 nan 8.230 nan 0.000 0.444 781 R N 2.994 123.318 120.500 -0.292 0.000 2.795 781 R HA 0.430 4.778 4.340 0.014 0.000 0.275 781 R C -0.925 175.196 176.300 -0.299 0.000 0.981 781 R CA -1.085 54.602 56.100 -0.688 0.000 0.917 781 R CB 1.354 31.197 30.300 -0.761 0.000 1.202 781 R HN 0.566 nan 8.270 nan 0.000 0.469 782 D N 1.308 121.613 120.400 -0.158 0.000 2.400 782 D HA 0.005 4.653 4.640 0.014 0.000 0.238 782 D C -0.346 175.575 176.300 -0.630 0.000 1.157 782 D CA 0.630 54.421 54.000 -0.348 0.000 0.889 782 D CB 0.645 41.209 40.800 -0.393 0.000 1.199 782 D HN 0.204 nan 8.370 nan 0.000 0.436 783 Q N 0.989 120.225 119.800 -0.940 0.000 2.305 783 Q HA 0.345 4.693 4.340 0.014 0.000 0.271 783 Q C -1.179 174.074 176.000 -1.244 0.000 1.046 783 Q CA -0.574 54.725 55.803 -0.839 0.000 0.798 783 Q CB 0.808 29.263 28.738 -0.471 0.000 1.286 783 Q HN 0.484 nan 8.270 nan 0.000 0.435 784 F N 0.372 119.934 119.950 -0.646 0.000 2.706 784 F HA 0.187 4.723 4.527 0.014 0.000 0.313 784 F C 0.628 175.986 175.800 -0.737 0.000 1.096 784 F CA -0.017 57.481 58.000 -0.838 0.000 1.219 784 F CB 1.349 39.528 39.000 -1.369 0.000 1.051 784 F HN 0.449 nan 8.300 nan 0.000 0.568 785 T N -0.698 113.549 114.554 -0.511 0.000 2.926 785 T HA 0.783 5.141 4.350 0.014 0.000 0.289 785 T C -0.475 173.987 174.700 -0.397 0.000 1.054 785 T CA -0.975 60.766 62.100 -0.598 0.000 1.015 785 T CB 2.751 71.178 68.868 -0.736 0.000 1.167 785 T HN 0.226 nan 8.240 nan 0.000 0.526 786 R N -0.135 120.181 120.500 -0.307 0.000 2.771 786 R HA 0.769 5.117 4.340 0.014 0.000 0.274 786 R C -0.822 175.534 176.300 0.092 0.000 0.987 786 R CA -1.227 54.812 56.100 -0.102 0.000 0.908 786 R CB 1.569 31.809 30.300 -0.099 0.000 1.213 786 R HN 0.812 nan 8.270 nan 0.000 0.468 787 A N 3.612 126.467 122.820 0.058 0.000 2.484 787 A HA 0.296 4.624 4.320 0.014 0.000 0.268 787 A C -2.001 175.637 177.584 0.090 0.000 1.114 787 A CA -1.367 50.699 52.037 0.048 0.000 0.780 787 A CB -0.426 18.549 19.000 -0.042 0.000 1.061 787 A HN 0.561 nan 8.150 nan 0.000 0.505 788 P HA 0.098 nan 4.420 nan 0.000 0.265 788 P C -0.253 177.143 177.300 0.160 0.000 1.193 788 P CA 0.405 63.646 63.100 0.235 0.000 0.765 788 P CB 0.378 32.245 31.700 0.278 0.000 0.823 789 L N 2.455 123.743 121.223 0.108 0.000 2.466 789 L HA 0.159 4.508 4.340 0.014 0.000 0.257 789 L C 1.857 178.733 176.870 0.009 0.000 1.189 789 L CA -0.469 54.369 54.840 -0.004 0.000 0.813 789 L CB -0.038 41.948 42.059 -0.122 0.000 1.118 789 L HN 0.296 nan 8.230 nan 0.000 0.471 790 D N 0.469 120.821 120.400 -0.080 0.000 2.158 790 D HA -0.172 4.477 4.640 0.014 0.000 0.197 790 D C 1.592 177.805 176.300 -0.145 0.000 0.995 790 D CA 1.446 55.322 54.000 -0.208 0.000 0.846 790 D CB 0.037 40.627 40.800 -0.351 0.000 0.941 790 D HN 0.482 nan 8.370 nan 0.000 0.456 791 N N 0.884 119.516 118.700 -0.114 0.000 2.309 791 N HA -0.099 4.649 4.740 0.014 0.000 0.182 791 N C 1.086 176.601 175.510 0.008 0.000 1.018 791 N CA 0.658 53.670 53.050 -0.063 0.000 0.876 791 N CB -0.092 38.350 38.487 -0.075 0.000 0.972 791 N HN 0.256 nan 8.380 nan 0.000 0.434 792 D N 0.258 120.680 120.400 0.035 0.000 2.277 792 D HA 0.085 4.733 4.640 0.014 0.000 0.208 792 D C 1.889 178.229 176.300 0.067 0.000 0.962 792 D CA 0.294 54.355 54.000 0.101 0.000 0.865 792 D CB 0.317 41.249 40.800 0.220 0.000 0.939 792 D HN 0.324 nan 8.370 nan 0.000 0.510 793 I N 0.005 120.596 120.570 0.036 0.000 2.731 793 I HA 0.092 4.270 4.170 0.014 0.000 0.260 793 I C 1.733 177.859 176.117 0.016 0.000 1.138 793 I CA 0.482 61.791 61.300 0.015 0.000 1.461 793 I CB -0.149 37.835 38.000 -0.027 0.000 1.128 793 I HN 0.026 nan 8.210 nan 0.000 0.438 794 G N 1.571 110.391 108.800 0.033 0.000 2.574 794 G HA2 -0.347 3.621 3.960 0.014 0.000 0.286 794 G HA3 -0.347 3.621 3.960 0.014 0.000 0.286 794 G C 0.716 175.771 174.900 0.258 0.000 1.212 794 G CA 0.772 45.957 45.100 0.141 0.000 0.979 794 G HN 0.480 nan 8.290 nan 0.000 0.557 795 V N -1.819 118.204 119.914 0.180 0.000 3.649 795 V HA 0.556 4.684 4.120 0.014 0.000 0.275 795 V C 1.422 177.540 176.094 0.041 0.000 1.281 795 V CA 1.359 63.722 62.300 0.106 0.000 1.143 795 V CB -0.059 31.719 31.823 -0.074 0.000 0.892 795 V HN 1.375 nan 8.190 nan 0.000 0.441 796 S N 1.226 116.942 115.700 0.027 0.000 2.563 796 S HA 0.145 4.624 4.470 0.014 0.000 0.294 796 S C -0.052 174.551 174.600 0.004 0.000 1.279 796 S CA 0.296 58.496 58.200 -0.001 0.000 1.069 796 S CB -0.038 63.154 63.200 -0.013 0.000 0.828 796 S HN 0.838 nan 8.310 nan 0.000 0.497 797 E N 2.011 122.209 120.200 -0.003 0.000 2.317 797 E HA 0.601 4.960 4.350 0.014 0.000 0.270 797 E C 0.545 177.148 176.600 0.004 0.000 0.885 797 E CA -0.420 55.982 56.400 0.004 0.000 0.760 797 E CB 1.507 31.207 29.700 0.001 0.000 1.227 797 E HN 0.628 nan 8.360 nan 0.000 0.434 798 A N 1.421 124.250 122.820 0.014 0.000 1.940 798 A HA -0.192 4.137 4.320 0.014 0.000 0.219 798 A C 1.997 179.587 177.584 0.009 0.000 1.176 798 A CA 2.398 54.444 52.037 0.014 0.000 0.631 798 A CB -0.883 18.130 19.000 0.023 0.000 0.814 798 A HN 0.676 nan 8.150 nan 0.000 0.446 799 T N -3.391 111.168 114.554 0.009 0.000 3.085 799 T HA 0.066 4.425 4.350 0.014 0.000 0.263 799 T C 0.815 175.510 174.700 -0.008 0.000 1.127 799 T CA 0.946 63.048 62.100 0.003 0.000 1.103 799 T CB -0.169 68.703 68.868 0.007 0.000 0.921 799 T HN 0.402 nan 8.240 nan 0.000 0.510 800 R N 0.760 121.253 120.500 -0.012 0.000 3.124 800 R HA 0.262 4.611 4.340 0.014 0.000 0.212 800 R C -1.269 175.014 176.300 -0.027 0.000 1.677 800 R CA -0.594 55.491 56.100 -0.024 0.000 1.186 800 R CB 0.084 30.363 30.300 -0.035 0.000 1.571 800 R HN 0.198 nan 8.270 nan 0.000 0.583 801 I N 1.641 122.197 120.570 -0.024 0.000 2.752 801 I HA -0.011 4.167 4.170 0.014 0.000 0.287 801 I C 0.532 176.625 176.117 -0.041 0.000 1.188 801 I CA 0.330 61.613 61.300 -0.027 0.000 1.427 801 I CB 0.611 38.597 38.000 -0.023 0.000 1.365 801 I HN 0.454 nan 8.210 nan 0.000 0.585 802 D N 8.573 128.945 120.400 -0.047 0.000 2.454 802 D HA 0.308 4.956 4.640 0.014 0.000 0.225 802 D C -1.838 174.412 176.300 -0.084 0.000 1.081 802 D CA -2.183 51.779 54.000 -0.063 0.000 0.864 802 D CB 1.600 42.365 40.800 -0.059 0.000 1.040 802 D HN 0.163 nan 8.370 nan 0.000 0.517 803 P HA -0.064 nan 4.420 nan 0.000 0.230 803 P C 0.818 178.019 177.300 -0.166 0.000 1.158 803 P CA 0.587 63.622 63.100 -0.109 0.000 0.769 803 P CB 0.178 31.824 31.700 -0.090 0.000 0.807 804 N N -0.333 118.264 118.700 -0.172 0.000 2.422 804 N HA 0.034 4.783 4.740 0.014 0.000 0.181 804 N C 0.326 175.637 175.510 -0.331 0.000 1.080 804 N CA -0.183 52.721 53.050 -0.244 0.000 0.893 804 N CB 0.088 38.462 38.487 -0.189 0.000 0.973 804 N HN -0.058 nan 8.380 nan 0.000 0.456 805 A N 0.391 123.064 122.820 -0.246 0.000 2.445 805 A HA 0.025 4.353 4.320 0.014 0.000 0.242 805 A C 0.552 177.917 177.584 -0.365 0.000 1.075 805 A CA -0.390 51.503 52.037 -0.240 0.000 0.777 805 A CB -0.113 18.820 19.000 -0.112 0.000 1.013 805 A HN 0.473 nan 8.150 nan 0.000 0.493 806 W N 1.678 122.725 121.300 -0.422 0.000 2.318 806 W HA -0.199 4.469 4.660 0.013 0.000 0.313 806 W C 2.250 178.161 176.519 -1.014 0.000 1.221 806 W CA 1.873 58.706 57.345 -0.854 0.000 1.266 806 W CB -0.387 28.483 29.460 -0.984 0.000 1.150 806 W HN 0.556 nan 8.180 nan 0.000 0.496 807 V N 0.850 120.606 119.914 -0.264 0.000 2.392 807 V HA -0.275 3.853 4.120 0.014 0.000 0.249 807 V C 2.148 178.285 176.094 0.071 0.000 1.059 807 V CA 2.169 64.510 62.300 0.067 0.000 1.051 807 V CB -0.361 31.573 31.823 0.186 0.000 0.658 807 V HN 0.104 nan 8.190 nan 0.000 0.455 808 E N -0.045 120.116 120.200 -0.065 0.000 2.072 808 E HA -0.167 4.191 4.350 0.014 0.000 0.190 808 E C 2.336 178.882 176.600 -0.091 0.000 0.982 808 E CA 1.102 57.471 56.400 -0.052 0.000 0.803 808 E CB -0.321 29.329 29.700 -0.082 0.000 0.755 808 E HN 0.626 nan 8.360 nan 0.000 0.453 809 R N -0.051 120.310 120.500 -0.232 0.000 2.073 809 R HA -0.125 4.223 4.340 0.014 0.000 0.234 809 R C 2.328 178.528 176.300 -0.167 0.000 1.134 809 R CA 1.416 57.360 56.100 -0.261 0.000 0.952 809 R CB -0.232 29.793 30.300 -0.458 0.000 0.850 809 R HN 0.244 nan 8.270 nan 0.000 0.433 810 W N 1.481 122.745 121.300 -0.059 0.000 2.358 810 W HA -0.093 4.575 4.660 0.014 0.000 0.303 810 W C 1.965 178.428 176.519 -0.093 0.000 1.208 810 W CA 0.727 57.922 57.345 -0.251 0.000 1.274 810 W CB -0.689 28.764 29.460 -0.012 0.000 1.138 810 W HN 0.116 nan 8.180 nan 0.000 0.515 811 K N 0.090 120.690 120.400 0.333 0.000 2.026 811 K HA -0.100 4.228 4.320 0.014 0.000 0.208 811 K C 2.302 178.952 176.600 0.083 0.000 1.048 811 K CA 1.876 58.322 56.287 0.265 0.000 0.929 811 K CB -0.628 31.977 32.500 0.176 0.000 0.713 811 K HN -0.021 nan 8.250 nan 0.000 0.439 812 A N 1.080 123.919 122.820 0.031 0.000 1.972 812 A HA -0.093 4.235 4.320 0.014 0.000 0.219 812 A C 2.180 179.754 177.584 -0.016 0.000 1.169 812 A CA 1.791 53.832 52.037 0.008 0.000 0.635 812 A CB -0.556 18.437 19.000 -0.012 0.000 0.810 812 A HN 0.349 nan 8.150 nan 0.000 0.446 813 A N -1.865 120.918 122.820 -0.061 0.000 2.235 813 A HA 0.398 4.726 4.320 0.014 0.000 0.208 813 A C 1.807 179.337 177.584 -0.090 0.000 1.172 813 A CA 1.224 53.238 52.037 -0.039 0.000 0.786 813 A CB -0.896 18.045 19.000 -0.099 0.000 0.804 813 A HN 1.877 nan 8.150 nan 0.000 0.479 814 G N -1.406 107.232 108.800 -0.271 0.000 2.143 814 G HA2 -0.314 3.655 3.960 0.014 0.000 0.249 814 G HA3 -0.314 3.655 3.960 0.014 0.000 0.249 814 G C 0.551 175.432 174.900 -0.032 0.000 0.981 814 G CA 0.685 45.416 45.100 -0.616 0.000 0.665 814 G HN 0.777 nan 8.290 nan 0.000 0.528 815 H N -1.595 117.455 119.070 -0.032 0.000 2.422 815 H HA -0.105 4.460 4.556 0.014 0.000 0.298 815 H C 2.219 177.514 175.328 -0.056 0.000 1.098 815 H CA 1.607 57.646 56.048 -0.014 0.000 1.315 815 H CB 0.038 29.741 29.762 -0.098 0.000 1.382 815 H HN 0.594 nan 8.280 nan 0.000 0.523 816 Y N 0.534 120.961 120.300 0.211 0.000 2.395 816 Y HA -0.079 4.480 4.550 0.014 0.000 0.293 816 Y C 2.178 178.168 175.900 0.149 0.000 1.123 816 Y CA 0.729 58.919 58.100 0.150 0.000 1.227 816 Y CB 0.282 38.810 38.460 0.114 0.000 1.012 816 Y HN 0.153 nan 8.280 nan 0.000 0.552 817 Q N -0.251 119.712 119.800 0.273 0.000 2.384 817 Q HA 0.287 4.635 4.340 0.014 0.000 0.207 817 Q C 0.788 176.972 176.000 0.306 0.000 0.904 817 Q CA 0.008 55.965 55.803 0.257 0.000 0.933 817 Q CB 0.382 29.261 28.738 0.235 0.000 1.077 817 Q HN 0.291 nan 8.270 nan 0.000 0.522 818 A N 1.774 124.796 122.820 0.336 0.000 2.587 818 A HA -0.056 4.273 4.320 0.014 0.000 0.233 818 A C -0.128 177.738 177.584 0.471 0.000 1.049 818 A CA 0.535 52.833 52.037 0.436 0.000 0.754 818 A CB 0.176 19.505 19.000 0.547 0.000 0.977 818 A HN 0.181 nan 8.150 nan 0.000 0.509 819 E N 0.724 121.117 120.200 0.322 0.000 2.195 819 E HA 0.481 4.839 4.350 0.014 0.000 0.271 819 E C -0.412 176.125 176.600 -0.106 0.000 0.923 819 E CA -0.659 55.847 56.400 0.176 0.000 0.790 819 E CB 1.931 31.709 29.700 0.129 0.000 1.155 819 E HN 0.724 nan 8.360 nan 0.000 0.402 820 A N 2.292 124.925 122.820 -0.312 0.000 2.671 820 A HA 0.426 4.754 4.320 0.014 0.000 0.306 820 A C 0.224 177.650 177.584 -0.262 0.000 1.473 820 A CA -0.261 51.339 52.037 -0.728 0.000 1.155 820 A CB -0.366 18.343 19.000 -0.484 0.000 1.123 820 A HN 0.577 nan 8.150 nan 0.000 0.545 821 A N 2.623 125.306 122.820 -0.229 0.000 2.409 821 A HA 0.497 4.826 4.320 0.014 0.000 0.262 821 A C 0.050 177.560 177.584 -0.123 0.000 1.113 821 A CA -0.411 51.561 52.037 -0.108 0.000 0.790 821 A CB 0.056 19.014 19.000 -0.070 0.000 1.046 821 A HN 1.149 nan 8.150 nan 0.000 0.496 822 L N 3.392 124.532 121.223 -0.137 0.000 2.361 822 L HA 0.286 4.634 4.340 0.014 0.000 0.278 822 L C 0.536 177.279 176.870 -0.212 0.000 1.113 822 L CA 0.386 55.056 54.840 -0.283 0.000 0.849 822 L CB 0.211 42.122 42.059 -0.248 0.000 1.155 822 L HN 0.737 nan 8.230 nan 0.000 0.452 823 L N 3.765 124.852 121.223 -0.227 0.000 2.515 823 L HA 0.315 4.664 4.340 0.014 0.000 0.223 823 L C 0.416 177.222 176.870 -0.107 0.000 1.079 823 L CA 0.022 54.792 54.840 -0.117 0.000 0.857 823 L CB -0.022 42.001 42.059 -0.060 0.000 1.050 823 L HN 0.748 nan 8.230 nan 0.000 0.476 824 Q N -0.193 119.514 119.800 -0.155 0.000 2.468 824 Q HA 0.310 4.658 4.340 0.014 0.000 0.263 824 Q C -2.072 173.870 176.000 -0.097 0.000 0.979 824 Q CA -0.571 55.178 55.803 -0.090 0.000 0.932 824 Q CB 2.752 31.463 28.738 -0.046 0.000 1.462 824 Q HN 0.038 nan 8.270 nan 0.000 0.403 825 C N 3.456 122.742 119.300 -0.024 0.000 2.789 825 C HA 0.805 5.273 4.460 0.014 0.000 0.367 825 C C -0.759 174.338 174.990 0.179 0.000 1.062 825 C CA 0.538 59.584 59.018 0.047 0.000 1.297 825 C CB 0.593 28.348 27.740 0.025 0.000 1.794 825 C HN 0.842 nan 8.230 nan 0.000 0.474 826 T N 2.458 117.073 114.554 0.102 0.000 2.916 826 T HA 0.914 5.272 4.350 0.014 0.000 0.292 826 T C -0.525 173.974 174.700 -0.335 0.000 1.064 826 T CA -0.333 61.773 62.100 0.011 0.000 1.011 826 T CB 1.959 70.805 68.868 -0.037 0.000 1.152 826 T HN 1.678 nan 8.240 nan 0.000 0.510 827 A N 1.268 123.697 122.820 -0.651 0.000 2.393 827 A HA 0.730 5.058 4.320 0.014 0.000 0.306 827 A C -1.239 176.088 177.584 -0.428 0.000 1.050 827 A CA -0.764 50.793 52.037 -0.799 0.000 0.724 827 A CB 1.237 19.364 19.000 -1.456 0.000 1.248 827 A HN 0.871 nan 8.150 nan 0.000 0.424 828 D N 1.228 121.446 120.400 -0.302 0.000 2.619 828 D HA 0.478 5.126 4.640 0.014 0.000 0.241 828 D C -0.842 175.361 176.300 -0.161 0.000 1.087 828 D CA -0.004 53.883 54.000 -0.188 0.000 0.851 828 D CB 2.368 43.089 40.800 -0.131 0.000 1.474 828 D HN 0.413 nan 8.370 nan 0.000 0.478 829 T N 1.984 116.465 114.554 -0.122 0.000 2.829 829 T HA 0.544 4.903 4.350 0.014 0.000 0.282 829 T C 0.406 175.064 174.700 -0.071 0.000 0.990 829 T CA -0.395 61.648 62.100 -0.095 0.000 1.028 829 T CB 0.942 69.761 68.868 -0.082 0.000 0.951 829 T HN 0.134 nan 8.240 nan 0.000 0.460 830 L N 1.122 122.309 121.223 -0.059 0.000 2.211 830 L HA 0.645 4.993 4.340 0.014 0.000 0.259 830 L C 1.954 178.806 176.870 -0.029 0.000 1.031 830 L CA -1.404 53.409 54.840 -0.044 0.000 0.877 830 L CB 0.339 42.372 42.059 -0.044 0.000 1.457 830 L HN 0.671 nan 8.230 nan 0.000 0.466 831 A N 0.602 123.408 122.820 -0.024 0.000 1.927 831 A HA -0.211 4.117 4.320 0.014 0.000 0.220 831 A C 1.085 178.664 177.584 -0.008 0.000 1.185 831 A CA 2.497 54.525 52.037 -0.015 0.000 0.639 831 A CB -0.565 18.426 19.000 -0.015 0.000 0.820 831 A HN 0.934 nan 8.150 nan 0.000 0.451 832 D N -3.227 117.166 120.400 -0.012 0.000 2.712 832 D HA 0.541 5.189 4.640 0.014 0.000 0.300 832 D C -0.182 176.111 176.300 -0.013 0.000 1.521 832 D CA 0.664 54.660 54.000 -0.007 0.000 0.790 832 D CB -0.338 40.454 40.800 -0.014 0.000 1.155 832 D HN 0.660 nan 8.370 nan 0.000 0.456 833 A N -0.694 122.113 122.820 -0.022 0.000 2.540 833 A HA 0.608 4.936 4.320 0.014 0.000 0.291 833 A C -1.862 175.687 177.584 -0.059 0.000 1.083 833 A CA -0.647 51.364 52.037 -0.043 0.000 0.650 833 A CB 1.369 20.335 19.000 -0.057 0.000 1.292 833 A HN 0.057 nan 8.150 nan 0.000 0.435 834 V N 0.536 120.396 119.914 -0.090 0.000 2.495 834 V HA 0.655 4.783 4.120 0.014 0.000 0.298 834 V C -0.955 175.048 176.094 -0.151 0.000 1.031 834 V CA -0.430 61.797 62.300 -0.122 0.000 0.871 834 V CB 1.365 33.117 31.823 -0.118 0.000 0.988 834 V HN 0.857 nan 8.190 nan 0.000 0.432 835 L N 6.212 127.334 121.223 -0.168 0.000 2.325 835 L HA 0.644 4.992 4.340 0.014 0.000 0.281 835 L C -0.830 175.898 176.870 -0.238 0.000 1.004 835 L CA -0.034 54.711 54.840 -0.158 0.000 0.823 835 L CB 1.326 43.319 42.059 -0.109 0.000 1.236 835 L HN 0.415 nan 8.230 nan 0.000 0.415 836 I N 4.104 124.521 120.570 -0.256 0.000 2.354 836 I HA 0.399 4.577 4.170 0.014 0.000 0.292 836 I C -0.066 175.990 176.117 -0.102 0.000 0.989 836 I CA -0.227 60.860 61.300 -0.354 0.000 1.188 836 I CB 1.591 39.115 38.000 -0.793 0.000 1.342 836 I HN 0.565 nan 8.210 nan 0.000 0.457 837 T N 4.821 119.328 114.554 -0.079 0.000 2.797 837 T HA 0.622 4.980 4.350 0.014 0.000 0.279 837 T C 0.212 174.945 174.700 0.055 0.000 0.991 837 T CA -0.538 61.572 62.100 0.018 0.000 0.979 837 T CB 1.724 70.583 68.868 -0.014 0.000 0.943 837 T HN 0.762 nan 8.240 nan 0.000 0.444 838 T N -0.622 114.007 114.554 0.126 0.000 2.906 838 T HA 0.857 5.216 4.350 0.014 0.000 0.295 838 T C -1.144 173.604 174.700 0.079 0.000 1.061 838 T CA -1.050 61.103 62.100 0.088 0.000 1.000 838 T CB 1.974 70.955 68.868 0.187 0.000 1.103 838 T HN 0.783 nan 8.240 nan 0.000 0.486 839 A N 1.699 124.483 122.820 -0.060 0.000 2.427 839 A HA 0.776 5.105 4.320 0.014 0.000 0.298 839 A C -1.401 176.064 177.584 -0.197 0.000 1.036 839 A CA -0.770 51.270 52.037 0.005 0.000 0.701 839 A CB 0.903 19.913 19.000 0.018 0.000 1.250 839 A HN 1.012 nan 8.150 nan 0.000 0.412 840 H N 0.032 119.157 119.070 0.092 0.000 2.895 840 H HA 0.779 5.343 4.556 0.014 0.000 0.373 840 H C -0.143 175.222 175.328 0.063 0.000 1.174 840 H CA 0.213 56.239 56.048 -0.037 0.000 1.144 840 H CB 2.177 31.827 29.762 -0.188 0.000 1.793 840 H HN 0.983 nan 8.280 nan 0.000 0.551 841 A N 1.900 124.756 122.820 0.059 0.000 2.330 841 A HA 0.390 4.719 4.320 0.014 0.000 0.313 841 A C -1.287 176.337 177.584 0.066 0.000 1.124 841 A CA -0.696 51.439 52.037 0.164 0.000 0.774 841 A CB 0.979 20.035 19.000 0.092 0.000 1.198 841 A HN 0.567 nan 8.150 nan 0.000 0.465 842 W N 1.938 123.349 121.300 0.183 0.000 2.390 842 W HA 0.447 5.116 4.660 0.014 0.000 0.312 842 W C -0.198 176.347 176.519 0.043 0.000 1.123 842 W CA -0.111 57.336 57.345 0.170 0.000 1.202 842 W CB 1.569 31.189 29.460 0.267 0.000 1.251 842 W HN 0.736 nan 8.180 nan 0.000 0.511 843 Q N 1.415 121.354 119.800 0.230 0.000 2.456 843 Q HA 0.384 4.733 4.340 0.014 0.000 0.283 843 Q C -1.058 175.078 176.000 0.226 0.000 1.084 843 Q CA -0.890 55.005 55.803 0.154 0.000 0.801 843 Q CB 3.689 32.479 28.738 0.087 0.000 1.434 843 Q HN 0.430 nan 8.270 nan 0.000 0.419 844 H N 1.479 120.587 119.070 0.062 0.000 2.840 844 H HA 0.084 4.648 4.556 0.014 0.000 0.340 844 H C -0.813 174.549 175.328 0.056 0.000 1.004 844 H CA -0.280 55.815 56.048 0.078 0.000 1.288 844 H CB 1.202 31.018 29.762 0.091 0.000 1.607 844 H HN 0.631 nan 8.280 nan 0.000 0.522 845 Q N 2.920 122.437 119.800 -0.472 0.000 2.457 845 Q HA -0.195 4.153 4.340 0.014 0.000 0.283 845 Q C 1.084 177.022 176.000 -0.103 0.000 1.234 845 Q CA 1.619 57.241 55.803 -0.301 0.000 0.877 845 Q CB -1.773 26.802 28.738 -0.272 0.000 1.250 845 Q HN 1.203 nan 8.270 nan 0.000 0.481 846 G N -1.458 107.311 108.800 -0.051 0.000 2.225 846 G HA2 -0.391 3.578 3.960 0.014 0.000 0.254 846 G HA3 -0.391 3.578 3.960 0.014 0.000 0.254 846 G C 0.118 175.024 174.900 0.010 0.000 0.988 846 G CA 0.491 45.583 45.100 -0.013 0.000 0.625 846 G HN 0.532 nan 8.290 nan 0.000 0.527 847 K N 1.483 121.901 120.400 0.029 0.000 2.183 847 K HA 0.634 4.963 4.320 0.014 0.000 0.274 847 K C -0.068 176.552 176.600 0.034 0.000 1.009 847 K CA -0.082 56.227 56.287 0.036 0.000 0.888 847 K CB 0.945 33.478 32.500 0.057 0.000 1.078 847 K HN -0.006 nan 8.250 nan 0.000 0.459 848 T N 5.941 120.505 114.554 0.016 0.000 2.729 848 T HA 0.213 4.571 4.350 0.014 0.000 0.296 848 T C 1.044 175.697 174.700 -0.077 0.000 0.928 848 T CA -0.430 61.676 62.100 0.010 0.000 1.045 848 T CB 0.437 69.326 68.868 0.034 0.000 0.902 848 T HN 0.566 nan 8.240 nan 0.000 0.500 849 L N 2.342 123.435 121.223 -0.218 0.000 2.145 849 L HA 0.312 4.660 4.340 0.014 0.000 0.201 849 L C -0.217 176.209 176.870 -0.740 0.000 1.075 849 L CA 0.864 55.320 54.840 -0.640 0.000 0.773 849 L CB 0.075 41.331 42.059 -1.339 0.000 0.936 849 L HN 0.495 nan 8.230 nan 0.000 0.451 850 F N -0.993 118.907 119.950 -0.082 0.000 2.588 850 F HA 0.564 5.099 4.527 0.014 0.000 0.310 850 F C -0.443 175.440 175.800 0.137 0.000 1.082 850 F CA -1.018 56.870 58.000 -0.188 0.000 0.929 850 F CB 1.521 39.998 39.000 -0.872 0.000 1.254 850 F HN -0.312 nan 8.300 nan 0.000 0.455 851 I N 1.456 122.236 120.570 0.349 0.000 2.498 851 I HA 0.442 4.620 4.170 0.014 0.000 0.290 851 I C -0.718 175.659 176.117 0.434 0.000 1.032 851 I CA -0.560 60.979 61.300 0.398 0.000 1.073 851 I CB 2.205 40.352 38.000 0.245 0.000 1.251 851 I HN 0.576 nan 8.210 nan 0.000 0.426 852 S N 6.826 122.885 115.700 0.599 0.000 2.478 852 S HA 0.587 5.065 4.470 0.014 0.000 0.312 852 S C -0.731 174.116 174.600 0.412 0.000 1.094 852 S CA -0.704 57.816 58.200 0.533 0.000 1.081 852 S CB 0.766 64.408 63.200 0.738 0.000 1.007 852 S HN 0.555 nan 8.310 nan 0.000 0.475 853 R N 3.563 124.227 120.500 0.274 0.000 2.437 853 R HA 0.564 4.913 4.340 0.014 0.000 0.310 853 R C -0.689 175.692 176.300 0.135 0.000 0.955 853 R CA -0.785 55.431 56.100 0.193 0.000 0.851 853 R CB 1.830 32.214 30.300 0.140 0.000 1.161 853 R HN 0.567 nan 8.270 nan 0.000 0.446 854 K N 0.851 121.326 120.400 0.124 0.000 2.480 854 K HA 0.505 4.833 4.320 0.014 0.000 0.258 854 K C -0.782 175.817 176.600 -0.001 0.000 0.990 854 K CA -0.909 55.383 56.287 0.008 0.000 0.857 854 K CB 2.629 35.118 32.500 -0.019 0.000 1.384 854 K HN 0.648 nan 8.250 nan 0.000 0.446 855 T N -1.417 113.066 114.554 -0.117 0.000 2.952 855 T HA 0.538 4.896 4.350 0.014 0.000 0.305 855 T C -1.365 173.244 174.700 -0.152 0.000 1.064 855 T CA -0.785 61.292 62.100 -0.038 0.000 1.008 855 T CB 0.500 69.357 68.868 -0.018 0.000 1.078 855 T HN 0.375 nan 8.240 nan 0.000 0.459 856 Y N 0.852 121.123 120.300 -0.048 0.000 2.328 856 Y HA 0.647 5.205 4.550 0.014 0.000 0.336 856 Y C 0.496 176.335 175.900 -0.103 0.000 0.960 856 Y CA -1.200 56.886 58.100 -0.023 0.000 1.134 856 Y CB 1.861 40.341 38.460 0.032 0.000 1.166 856 Y HN 0.647 nan 8.280 nan 0.000 0.464 857 R N 4.103 124.635 120.500 0.054 0.000 2.320 857 R HA 0.613 4.961 4.340 0.014 0.000 0.319 857 R C -1.575 174.677 176.300 -0.079 0.000 0.969 857 R CA -0.449 55.634 56.100 -0.027 0.000 0.857 857 R CB 0.443 30.732 30.300 -0.019 0.000 1.160 857 R HN 0.765 nan 8.270 nan 0.000 0.491 858 I N 5.124 125.586 120.570 -0.180 0.000 2.312 858 I HA 0.160 4.339 4.170 0.014 0.000 0.290 858 I C -0.031 175.970 176.117 -0.193 0.000 1.008 858 I CA -0.438 60.669 61.300 -0.321 0.000 1.226 858 I CB 1.206 38.798 38.000 -0.680 0.000 1.371 858 I HN 0.661 nan 8.210 nan 0.000 0.468 859 D N 4.484 124.817 120.400 -0.111 0.000 2.569 859 D HA 0.235 4.883 4.640 0.014 0.000 0.266 859 D C 1.269 177.567 176.300 -0.005 0.000 1.164 859 D CA -0.722 53.250 54.000 -0.047 0.000 1.071 859 D CB 0.863 41.650 40.800 -0.023 0.000 1.183 859 D HN 0.454 nan 8.370 nan 0.000 0.613 860 G N -1.211 107.596 108.800 0.012 0.000 2.535 860 G HA2 -0.170 3.798 3.960 0.014 0.000 0.218 860 G HA3 -0.170 3.798 3.960 0.014 0.000 0.218 860 G C 1.209 176.166 174.900 0.095 0.000 1.122 860 G CA 1.094 46.223 45.100 0.049 0.000 0.769 860 G HN 0.545 nan 8.290 nan 0.000 0.549 861 S N -1.166 114.580 115.700 0.077 0.000 2.528 861 S HA 0.367 4.846 4.470 0.014 0.000 0.219 861 S C 1.878 176.572 174.600 0.156 0.000 0.985 861 S CA 0.961 59.237 58.200 0.126 0.000 0.914 861 S CB 0.072 63.324 63.200 0.087 0.000 0.776 861 S HN 1.414 nan 8.310 nan 0.000 0.526 862 G N 0.380 109.278 108.800 0.163 0.000 2.175 862 G HA2 -0.228 3.740 3.960 0.014 0.000 0.244 862 G HA3 -0.228 3.740 3.960 0.014 0.000 0.244 862 G C -0.166 174.894 174.900 0.267 0.000 0.982 862 G CA 0.041 45.309 45.100 0.281 0.000 0.641 862 G HN 0.602 nan 8.290 nan 0.000 0.527 863 Q N -0.314 119.575 119.800 0.149 0.000 2.259 863 Q HA 0.659 5.007 4.340 0.014 0.000 0.246 863 Q C 0.220 176.265 176.000 0.074 0.000 0.920 863 Q CA -0.287 55.605 55.803 0.148 0.000 0.895 863 Q CB 1.483 30.294 28.738 0.123 0.000 1.220 863 Q HN 0.401 nan 8.270 nan 0.000 0.439 864 M N 2.209 121.890 119.600 0.135 0.000 2.036 864 M HA 0.463 4.951 4.480 0.014 0.000 0.337 864 M C -1.319 175.082 176.300 0.169 0.000 1.012 864 M CA -0.475 54.874 55.300 0.083 0.000 0.962 864 M CB 0.712 33.387 32.600 0.126 0.000 1.423 864 M HN 0.692 nan 8.290 nan 0.000 0.405 865 A N 6.718 129.601 122.820 0.105 0.000 2.309 865 A HA 0.634 4.962 4.320 0.014 0.000 0.290 865 A C -0.613 177.011 177.584 0.066 0.000 1.206 865 A CA -0.518 51.581 52.037 0.104 0.000 0.850 865 A CB 0.046 19.087 19.000 0.068 0.000 1.118 865 A HN 0.915 nan 8.150 nan 0.000 0.523 866 I N 2.258 122.856 120.570 0.047 0.000 2.377 866 I HA 0.348 4.526 4.170 0.014 0.000 0.293 866 I C -0.001 176.016 176.117 -0.167 0.000 0.987 866 I CA -0.213 61.007 61.300 -0.133 0.000 1.185 866 I CB 2.113 40.043 38.000 -0.116 0.000 1.341 866 I HN 0.500 nan 8.210 nan 0.000 0.455 867 T N 5.489 119.908 114.554 -0.226 0.000 2.829 867 T HA 0.592 4.950 4.350 0.014 0.000 0.280 867 T C -0.413 174.095 174.700 -0.319 0.000 0.999 867 T CA -0.479 61.495 62.100 -0.210 0.000 0.983 867 T CB 2.027 70.866 68.868 -0.049 0.000 0.968 867 T HN 0.220 nan 8.240 nan 0.000 0.446 868 V N 3.181 122.780 119.914 -0.524 0.000 2.638 868 V HA 0.481 4.609 4.120 0.014 0.000 0.306 868 V C -0.923 175.028 176.094 -0.240 0.000 1.052 868 V CA -0.918 61.114 62.300 -0.446 0.000 0.885 868 V CB 2.201 33.473 31.823 -0.918 0.000 0.999 868 V HN 0.854 nan 8.190 nan 0.000 0.424 869 D N 3.204 123.618 120.400 0.022 0.000 2.471 869 D HA 0.522 5.170 4.640 0.014 0.000 0.245 869 D C -0.980 175.441 176.300 0.201 0.000 1.116 869 D CA -0.060 54.041 54.000 0.168 0.000 0.853 869 D CB 2.584 43.499 40.800 0.191 0.000 1.123 869 D HN 0.233 nan 8.370 nan 0.000 0.540 870 V N 2.315 122.382 119.914 0.256 0.000 2.628 870 V HA 0.309 4.438 4.120 0.014 0.000 0.306 870 V C 0.063 176.298 176.094 0.234 0.000 1.045 870 V CA -0.690 61.775 62.300 0.275 0.000 0.905 870 V CB 2.556 34.584 31.823 0.342 0.000 0.997 870 V HN 0.351 nan 8.190 nan 0.000 0.436 871 E N 2.343 122.666 120.200 0.206 0.000 2.171 871 E HA 0.620 4.979 4.350 0.014 0.000 0.271 871 E C -1.569 175.139 176.600 0.180 0.000 0.916 871 E CA -0.564 55.935 56.400 0.165 0.000 0.774 871 E CB 2.550 32.333 29.700 0.139 0.000 1.128 871 E HN 0.393 nan 8.360 nan 0.000 0.403 872 V N 2.137 122.161 119.914 0.184 0.000 2.444 872 V HA 0.360 4.488 4.120 0.014 0.000 0.294 872 V C 0.101 176.284 176.094 0.149 0.000 1.022 872 V CA -0.940 61.492 62.300 0.220 0.000 0.850 872 V CB 1.497 33.486 31.823 0.278 0.000 0.992 872 V HN 0.844 nan 8.190 nan 0.000 0.426 873 A N 3.506 126.373 122.820 0.079 0.000 2.567 873 A HA 0.231 4.559 4.320 0.014 0.000 0.240 873 A C 1.644 179.298 177.584 0.117 0.000 1.053 873 A CA 0.696 52.771 52.037 0.063 0.000 0.755 873 A CB 0.212 19.215 19.000 0.005 0.000 0.978 873 A HN 1.391 nan 8.150 nan 0.000 0.507 874 S N 1.119 116.884 115.700 0.110 0.000 2.423 874 S HA -0.157 4.322 4.470 0.014 0.000 0.231 874 S C 0.922 175.607 174.600 0.141 0.000 1.014 874 S CA 1.332 59.617 58.200 0.142 0.000 0.965 874 S CB -0.311 62.951 63.200 0.103 0.000 0.785 874 S HN 0.833 nan 8.310 nan 0.000 0.495 875 D N 0.307 120.763 120.400 0.094 0.000 2.339 875 D HA 0.132 4.780 4.640 0.014 0.000 0.217 875 D C 0.576 176.917 176.300 0.068 0.000 1.050 875 D CA 0.086 54.126 54.000 0.067 0.000 0.856 875 D CB -0.531 40.294 40.800 0.042 0.000 0.922 875 D HN 0.305 nan 8.370 nan 0.000 0.518 876 T N 1.419 116.038 114.554 0.109 0.000 2.909 876 T HA 0.374 4.732 4.350 0.014 0.000 0.286 876 T C -2.587 172.240 174.700 0.211 0.000 1.002 876 T CA -1.986 60.208 62.100 0.156 0.000 1.074 876 T CB 0.979 69.944 68.868 0.161 0.000 0.984 876 T HN -0.154 nan 8.240 nan 0.000 0.495 877 P HA 0.053 nan 4.420 nan 0.000 0.262 877 P C -0.528 177.113 177.300 0.568 0.000 1.182 877 P CA 0.194 63.429 63.100 0.226 0.000 0.761 877 P CB -0.131 31.714 31.700 0.241 0.000 0.795 878 H N 4.175 123.627 119.070 0.637 0.000 3.094 878 H HA 0.032 4.596 4.556 0.014 0.000 0.320 878 H C -1.544 174.114 175.328 0.549 0.000 1.000 878 H CA -1.222 55.124 56.048 0.497 0.000 1.413 878 H CB -0.381 29.612 29.762 0.385 0.000 1.405 878 H HN 0.394 nan 8.280 nan 0.000 0.586 879 P HA 0.003 nan 4.420 nan 0.000 0.274 879 P C 0.124 177.295 177.300 -0.216 0.000 1.237 879 P CA -0.269 62.879 63.100 0.080 0.000 0.793 879 P CB 1.072 32.673 31.700 -0.165 0.000 0.977 880 A N 3.159 125.565 122.820 -0.690 0.000 2.015 880 A HA -0.093 4.235 4.320 0.014 0.000 0.219 880 A C 1.059 178.240 177.584 -0.673 0.000 1.163 880 A CA 1.270 52.883 52.037 -0.707 0.000 0.646 880 A CB -0.516 17.857 19.000 -1.044 0.000 0.806 880 A HN 0.748 nan 8.150 nan 0.000 0.448 881 R N -2.944 117.198 120.500 -0.598 0.000 2.733 881 R HA 0.748 5.096 4.340 0.014 0.000 0.272 881 R C -1.660 174.381 176.300 -0.432 0.000 1.029 881 R CA -0.821 54.955 56.100 -0.540 0.000 0.888 881 R CB 0.878 30.825 30.300 -0.589 0.000 1.251 881 R HN -0.011 nan 8.270 nan 0.000 0.464 882 I N 1.002 121.350 120.570 -0.370 0.000 2.517 882 I HA 0.634 4.812 4.170 0.014 0.000 0.280 882 I C -0.469 175.411 176.117 -0.394 0.000 1.061 882 I CA -0.266 60.839 61.300 -0.326 0.000 1.091 882 I CB 1.879 39.751 38.000 -0.213 0.000 1.205 882 I HN 0.967 nan 8.210 nan 0.000 0.459 883 G N 5.848 114.351 108.800 -0.496 0.000 2.650 883 G HA2 0.724 4.692 3.960 0.014 0.000 0.310 883 G HA3 0.724 4.692 3.960 0.014 0.000 0.310 883 G C -1.729 172.994 174.900 -0.294 0.000 1.270 883 G CA -0.584 44.270 45.100 -0.409 0.000 0.810 883 G HN 0.269 nan 8.290 nan 0.000 0.493 884 L N 0.765 121.865 121.223 -0.204 0.000 2.333 884 L HA 0.672 5.021 4.340 0.014 0.000 0.263 884 L C -0.758 176.009 176.870 -0.171 0.000 1.014 884 L CA -1.151 53.600 54.840 -0.149 0.000 0.820 884 L CB 2.478 44.530 42.059 -0.011 0.000 1.352 884 L HN 0.789 nan 8.230 nan 0.000 0.421 885 N N 0.599 119.226 118.700 -0.121 0.000 2.396 885 N HA 0.685 5.433 4.740 0.014 0.000 0.275 885 N C -1.349 174.167 175.510 0.009 0.000 1.218 885 N CA -0.504 52.512 53.050 -0.057 0.000 0.812 885 N CB 2.408 40.877 38.487 -0.031 0.000 1.592 885 N HN 0.851 nan 8.380 nan 0.000 0.480 886 C N -0.834 118.477 119.300 0.019 0.000 3.312 886 C HA 0.593 5.061 4.460 0.014 0.000 0.332 886 C C -0.987 173.768 174.990 -0.391 0.000 1.340 886 C CA -0.866 58.096 59.018 -0.093 0.000 1.265 886 C CB 1.016 28.736 27.740 -0.034 0.000 1.563 886 C HN 0.844 nan 8.230 nan 0.000 0.471 887 Q N 1.310 120.654 119.800 -0.760 0.000 2.372 887 Q HA 0.669 5.018 4.340 0.014 0.000 0.259 887 Q C -1.060 174.627 176.000 -0.522 0.000 0.993 887 Q CA -0.407 54.700 55.803 -1.160 0.000 0.854 887 Q CB 0.810 28.569 28.738 -1.633 0.000 1.231 887 Q HN 0.758 nan 8.270 nan 0.000 0.462 888 L N 2.570 123.592 121.223 -0.335 0.000 2.395 888 L HA 0.312 4.660 4.340 0.014 0.000 0.269 888 L C 1.197 178.004 176.870 -0.106 0.000 1.133 888 L CA -0.238 54.539 54.840 -0.105 0.000 0.812 888 L CB 0.853 42.964 42.059 0.086 0.000 1.125 888 L HN 0.819 nan 8.230 nan 0.000 0.452 889 A N 1.816 124.603 122.820 -0.055 0.000 1.929 889 A HA -0.121 4.207 4.320 0.014 0.000 0.216 889 A C 1.153 178.729 177.584 -0.013 0.000 1.176 889 A CA 0.635 52.635 52.037 -0.061 0.000 0.628 889 A CB -0.312 18.648 19.000 -0.067 0.000 0.816 889 A HN 0.793 nan 8.150 nan 0.000 0.444 890 Q N -0.013 119.816 119.800 0.049 0.000 2.364 890 Q HA 0.385 4.734 4.340 0.014 0.000 0.267 890 Q C -1.113 174.924 176.000 0.062 0.000 0.999 890 Q CA 0.426 56.250 55.803 0.037 0.000 0.886 890 Q CB 0.746 29.540 28.738 0.094 0.000 1.243 890 Q HN 0.140 nan 8.270 nan 0.000 0.415 891 V N 3.572 123.479 119.914 -0.012 0.000 2.447 891 V HA 0.791 4.919 4.120 0.014 0.000 0.292 891 V C -0.679 175.366 176.094 -0.081 0.000 1.021 891 V CA -0.214 62.109 62.300 0.038 0.000 0.850 891 V CB 1.058 32.896 31.823 0.025 0.000 1.005 891 V HN 0.920 nan 8.190 nan 0.000 0.426 892 A N 3.102 125.817 122.820 -0.174 0.000 2.354 892 A HA 0.765 5.093 4.320 0.014 0.000 0.321 892 A C 0.850 178.437 177.584 0.004 0.000 1.125 892 A CA -0.085 51.806 52.037 -0.244 0.000 0.799 892 A CB 1.586 20.218 19.000 -0.614 0.000 1.293 892 A HN 0.937 nan 8.150 nan 0.000 0.452 893 E N 0.659 120.862 120.200 0.005 0.000 2.072 893 E HA -0.065 4.294 4.350 0.014 0.000 0.190 893 E C 0.453 177.125 176.600 0.120 0.000 0.982 893 E CA 0.887 57.322 56.400 0.059 0.000 0.803 893 E CB 0.074 29.791 29.700 0.028 0.000 0.755 893 E HN 0.535 nan 8.360 nan 0.000 0.453 894 R N 0.139 120.719 120.500 0.134 0.000 2.828 894 R HA 0.557 4.905 4.340 0.014 0.000 0.264 894 R C -1.043 175.439 176.300 0.304 0.000 1.022 894 R CA -1.010 55.202 56.100 0.186 0.000 1.021 894 R CB 1.928 32.311 30.300 0.138 0.000 1.163 894 R HN -0.010 nan 8.270 nan 0.000 0.494 895 V N 1.958 122.061 119.914 0.314 0.000 2.483 895 V HA 0.315 4.443 4.120 0.014 0.000 0.297 895 V C -0.346 176.018 176.094 0.449 0.000 1.027 895 V CA -0.926 61.596 62.300 0.369 0.000 0.855 895 V CB 1.711 33.697 31.823 0.271 0.000 0.995 895 V HN 0.679 nan 8.190 nan 0.000 0.424 896 N N 4.692 123.628 118.700 0.392 0.000 2.314 896 N HA 0.535 5.283 4.740 0.014 0.000 0.294 896 N C -1.330 174.427 175.510 0.412 0.000 1.029 896 N CA -0.444 52.808 53.050 0.337 0.000 0.845 896 N CB 2.711 41.291 38.487 0.155 0.000 1.321 896 N HN 0.800 nan 8.380 nan 0.000 0.481 897 W N 3.249 124.575 121.300 0.044 0.000 3.118 897 W HA 0.590 5.258 4.660 0.013 0.000 0.328 897 W C -2.055 174.409 176.519 -0.091 0.000 1.239 897 W CA -1.141 56.202 57.345 -0.004 0.000 1.176 897 W CB 0.715 30.206 29.460 0.051 0.000 1.433 897 W HN 0.235 nan 8.180 nan 0.000 0.562 898 L N 4.355 125.534 121.223 -0.073 0.000 2.277 898 L HA 0.915 5.263 4.340 0.014 0.000 0.284 898 L C 0.016 176.650 176.870 -0.393 0.000 1.028 898 L CA 0.396 54.995 54.840 -0.402 0.000 0.835 898 L CB 0.620 42.548 42.059 -0.220 0.000 1.215 898 L HN 1.009 nan 8.230 nan 0.000 0.425 899 G N 3.806 112.205 108.800 -0.669 0.000 2.356 899 G HA2 0.200 4.168 3.960 0.014 0.000 0.281 899 G HA3 0.200 4.168 3.960 0.014 0.000 0.281 899 G C -1.625 173.230 174.900 -0.075 0.000 1.246 899 G CA -1.007 43.937 45.100 -0.259 0.000 0.889 899 G HN 0.439 nan 8.290 nan 0.000 0.486 900 L N 1.147 122.509 121.223 0.230 0.000 2.349 900 L HA 0.634 4.982 4.340 0.014 0.000 0.275 900 L C 1.020 177.996 176.870 0.176 0.000 1.115 900 L CA 0.652 55.604 54.840 0.186 0.000 0.820 900 L CB 0.726 42.849 42.059 0.106 0.000 1.135 900 L HN 1.194 nan 8.230 nan 0.000 0.445 901 G N 2.866 111.552 108.800 -0.189 0.000 2.341 901 G HA2 0.256 4.224 3.960 0.014 0.000 0.299 901 G HA3 0.256 4.224 3.960 0.014 0.000 0.299 901 G C -2.791 171.316 174.900 -1.321 0.000 1.274 901 G CA -0.300 44.383 45.100 -0.695 0.000 0.853 901 G HN 0.302 nan 8.290 nan 0.000 0.493 902 P HA 0.104 nan 4.420 nan 0.000 0.234 902 P C 0.537 177.659 177.300 -0.295 0.000 1.175 902 P CA 0.568 63.057 63.100 -1.018 0.000 0.801 902 P CB 0.485 31.711 31.700 -0.789 0.000 0.891 903 Q N 0.452 120.061 119.800 -0.319 0.000 2.316 903 Q HA 0.143 4.491 4.340 0.014 0.000 0.215 903 Q C 0.375 176.268 176.000 -0.178 0.000 1.020 903 Q CA -0.564 55.127 55.803 -0.186 0.000 0.970 903 Q CB 0.592 29.239 28.738 -0.152 0.000 1.187 903 Q HN 0.119 nan 8.270 nan 0.000 0.546 904 E N 1.125 121.230 120.200 -0.159 0.000 2.452 904 E HA -0.083 4.275 4.350 0.014 0.000 0.261 904 E C -1.163 175.360 176.600 -0.128 0.000 0.987 904 E CA 0.206 56.500 56.400 -0.177 0.000 0.926 904 E CB 0.269 29.936 29.700 -0.056 0.000 0.934 904 E HN 0.567 nan 8.360 nan 0.000 0.452 905 N N 2.655 121.209 118.700 -0.242 0.000 2.308 905 N HA 0.329 5.077 4.740 0.014 0.000 0.283 905 N C -1.824 173.495 175.510 -0.318 0.000 1.105 905 N CA -0.681 52.279 53.050 -0.150 0.000 0.840 905 N CB 0.762 39.178 38.487 -0.119 0.000 1.633 905 N HN 0.245 nan 8.380 nan 0.000 0.476 906 Y N 0.002 120.212 120.300 -0.150 0.000 2.662 906 Y HA 0.511 5.069 4.550 0.014 0.000 0.335 906 Y C -1.640 174.191 175.900 -0.115 0.000 1.066 906 Y CA -2.050 55.946 58.100 -0.173 0.000 1.116 906 Y CB 1.847 40.197 38.460 -0.184 0.000 1.308 906 Y HN 0.435 nan 8.280 nan 0.000 0.502 907 P HA -0.175 nan 4.420 nan 0.000 0.216 907 P C 0.409 177.640 177.300 -0.114 0.000 1.153 907 P CA 2.177 65.339 63.100 0.103 0.000 0.858 907 P CB 0.191 32.063 31.700 0.286 0.000 0.789 908 D N -2.368 117.708 120.400 -0.539 0.000 2.340 908 D HA -0.006 4.642 4.640 0.014 0.000 0.217 908 D C 0.787 176.925 176.300 -0.271 0.000 1.081 908 D CA 0.154 53.604 54.000 -0.916 0.000 0.842 908 D CB -0.242 39.790 40.800 -1.279 0.000 0.934 908 D HN 0.119 nan 8.370 nan 0.000 0.511 909 R N 0.945 121.395 120.500 -0.083 0.000 2.627 909 R HA 0.195 4.544 4.340 0.014 0.000 0.251 909 R C -0.598 175.733 176.300 0.052 0.000 1.524 909 R CA -0.141 55.972 56.100 0.022 0.000 1.606 909 R CB 0.098 30.412 30.300 0.024 0.000 1.396 909 R HN 0.092 nan 8.270 nan 0.000 0.724 910 L N -2.042 119.220 121.223 0.064 0.000 3.410 910 L HA 0.340 4.688 4.340 0.014 0.000 0.309 910 L C 1.290 178.216 176.870 0.092 0.000 1.254 910 L CA -0.025 54.851 54.840 0.059 0.000 1.048 910 L CB 0.183 42.270 42.059 0.046 0.000 1.442 910 L HN 0.045 nan 8.230 nan 0.000 0.615 911 T N -2.828 111.809 114.554 0.138 0.000 2.915 911 T HA 0.039 4.397 4.350 0.014 0.000 0.269 911 T C 1.775 176.510 174.700 0.059 0.000 1.071 911 T CA 1.242 63.447 62.100 0.175 0.000 1.132 911 T CB -0.256 68.778 68.868 0.277 0.000 0.878 911 T HN 0.377 nan 8.240 nan 0.000 0.479 912 A N 1.673 124.527 122.820 0.056 0.000 2.016 912 A HA 0.651 4.980 4.320 0.014 0.000 0.217 912 A C 1.664 179.310 177.584 0.103 0.000 1.162 912 A CA 0.502 52.493 52.037 -0.075 0.000 0.662 912 A CB -0.971 18.156 19.000 0.211 0.000 0.812 912 A HN 0.827 nan 8.150 nan 0.000 0.450 913 A N -0.994 121.843 122.820 0.028 0.000 2.425 913 A HA 0.409 4.737 4.320 0.014 0.000 0.242 913 A C 0.103 177.688 177.584 0.002 0.000 1.077 913 A CA 0.057 52.068 52.037 -0.044 0.000 0.781 913 A CB -0.224 18.748 19.000 -0.046 0.000 1.020 913 A HN 0.505 nan 8.150 nan 0.000 0.494 914 C N 0.638 119.924 119.300 -0.024 0.000 2.493 914 C HA 0.541 5.010 4.460 0.014 0.000 0.326 914 C C -0.061 175.021 174.990 0.154 0.000 1.200 914 C CA -0.462 58.607 59.018 0.085 0.000 1.739 914 C CB 0.667 28.479 27.740 0.120 0.000 2.300 914 C HN 0.777 nan 8.230 nan 0.000 0.500 915 F N 3.730 123.518 119.950 -0.269 0.000 2.445 915 F HA 0.467 5.002 4.527 0.014 0.000 0.359 915 F C 0.379 175.865 175.800 -0.522 0.000 1.101 915 F CA 1.123 58.830 58.000 -0.489 0.000 1.177 915 F CB -0.033 38.173 39.000 -1.323 0.000 1.110 915 F HN 0.642 nan 8.300 nan 0.000 0.522 916 D N 3.247 123.111 120.400 -0.893 0.000 2.992 916 D HA 0.178 4.826 4.640 0.014 0.000 0.349 916 D C -1.651 173.781 176.300 -1.446 0.000 1.393 916 D CA -0.710 52.645 54.000 -1.074 0.000 0.887 916 D CB 1.501 41.589 40.800 -1.188 0.000 1.447 916 D HN 0.461 nan 8.370 nan 0.000 0.524 917 R N 0.597 120.294 120.500 -1.337 0.000 2.229 917 R HA 0.524 4.872 4.340 0.014 0.000 0.332 917 R C -1.456 174.044 176.300 -1.333 0.000 0.989 917 R CA -0.250 55.205 56.100 -1.075 0.000 0.842 917 R CB 0.305 30.237 30.300 -0.613 0.000 1.119 917 R HN 0.270 nan 8.270 nan 0.000 0.456 918 W N 2.281 123.038 121.300 -0.905 0.000 2.655 918 W HA 0.466 5.134 4.660 0.014 0.000 0.358 918 W C -0.498 175.652 176.519 -0.615 0.000 1.100 918 W CA -0.558 56.221 57.345 -0.945 0.000 1.195 918 W CB 1.578 30.007 29.460 -1.719 0.000 1.403 918 W HN 0.390 nan 8.180 nan 0.000 0.589 919 D N 1.974 122.345 120.400 -0.049 0.000 2.452 919 D HA 0.358 5.006 4.640 0.014 0.000 0.226 919 D C -1.564 174.841 176.300 0.176 0.000 1.366 919 D CA -0.116 53.948 54.000 0.106 0.000 0.986 919 D CB 0.766 41.582 40.800 0.028 0.000 1.420 919 D HN 0.361 nan 8.370 nan 0.000 0.583 920 L N 2.761 124.162 121.223 0.297 0.000 2.309 920 L HA 0.606 4.954 4.340 0.014 0.000 0.261 920 L C -2.253 174.735 176.870 0.198 0.000 1.021 920 L CA -2.248 52.732 54.840 0.233 0.000 0.823 920 L CB 2.486 44.723 42.059 0.296 0.000 1.366 920 L HN 0.159 nan 8.230 nan 0.000 0.423 921 P HA 0.036 nan 4.420 nan 0.000 0.271 921 P C 0.508 177.887 177.300 0.131 0.000 1.218 921 P CA -0.368 62.805 63.100 0.121 0.000 0.780 921 P CB 0.827 32.578 31.700 0.085 0.000 0.901 922 L N 3.356 124.661 121.223 0.137 0.000 2.043 922 L HA -0.248 4.100 4.340 0.014 0.000 0.212 922 L C 2.192 179.114 176.870 0.086 0.000 1.075 922 L CA 2.740 57.652 54.840 0.120 0.000 0.752 922 L CB -1.531 40.612 42.059 0.141 0.000 0.891 922 L HN 0.457 nan 8.230 nan 0.000 0.432 923 S N -1.982 113.770 115.700 0.087 0.000 2.442 923 S HA -0.160 4.319 4.470 0.014 0.000 0.236 923 S C 1.601 176.274 174.600 0.122 0.000 1.007 923 S CA 1.038 59.306 58.200 0.113 0.000 0.965 923 S CB -0.739 62.522 63.200 0.102 0.000 0.773 923 S HN 0.521 nan 8.310 nan 0.000 0.504 924 D N 1.116 121.563 120.400 0.079 0.000 2.371 924 D HA 0.088 4.737 4.640 0.014 0.000 0.221 924 D C 1.178 177.484 176.300 0.011 0.000 0.986 924 D CA 0.601 54.626 54.000 0.042 0.000 0.899 924 D CB -0.103 40.729 40.800 0.054 0.000 0.902 924 D HN 0.392 nan 8.370 nan 0.000 0.530 925 M N -0.500 119.116 119.600 0.027 0.000 2.495 925 M HA 0.049 4.538 4.480 0.014 0.000 0.237 925 M C 0.009 176.316 176.300 0.011 0.000 1.131 925 M CA -0.075 55.195 55.300 -0.050 0.000 1.032 925 M CB -0.721 31.835 32.600 -0.073 0.000 1.513 925 M HN -0.056 nan 8.290 nan 0.000 0.488 926 Y N 0.350 120.619 120.300 -0.051 0.000 2.352 926 Y HA 0.489 5.048 4.550 0.014 0.000 0.339 926 Y C -0.657 175.212 175.900 -0.052 0.000 0.992 926 Y CA -0.909 57.184 58.100 -0.012 0.000 1.100 926 Y CB 1.178 39.692 38.460 0.090 0.000 1.192 926 Y HN -0.122 nan 8.280 nan 0.000 0.458 927 T N 9.066 123.213 114.554 -0.678 0.000 2.758 927 T HA 0.289 4.647 4.350 0.014 0.000 0.285 927 T C -2.677 171.334 174.700 -1.148 0.000 0.981 927 T CA -1.494 60.145 62.100 -0.769 0.000 0.965 927 T CB 1.162 69.657 68.868 -0.622 0.000 0.927 927 T HN 0.477 nan 8.240 nan 0.000 0.448 928 P HA 0.157 nan 4.420 nan 0.000 0.220 928 P C -0.747 176.517 177.300 -0.060 0.000 1.806 928 P CA -0.552 62.197 63.100 -0.584 0.000 0.976 928 P CB -0.512 30.973 31.700 -0.357 0.000 1.952 929 Y N 0.045 120.395 120.300 0.083 0.000 2.717 929 Y HA -0.108 4.450 4.550 0.014 0.000 0.330 929 Y C 2.256 178.274 175.900 0.196 0.000 1.217 929 Y CA 0.095 58.301 58.100 0.177 0.000 1.506 929 Y CB 0.098 38.554 38.460 -0.007 0.000 1.268 929 Y HN -0.044 nan 8.280 nan 0.000 0.561 930 V N 3.471 123.655 119.914 0.450 0.000 2.332 930 V HA -0.286 3.842 4.120 0.014 0.000 0.248 930 V C 0.646 176.936 176.094 0.327 0.000 1.055 930 V CA 1.382 63.911 62.300 0.382 0.000 1.038 930 V CB -0.630 31.448 31.823 0.427 0.000 0.651 930 V HN 0.605 nan 8.190 nan 0.000 0.450 931 F N 3.146 123.158 119.950 0.104 0.000 2.350 931 F HA 0.519 5.054 4.527 0.014 0.000 0.365 931 F C -2.477 173.333 175.800 0.017 0.000 1.122 931 F CA -3.542 54.453 58.000 -0.009 0.000 1.139 931 F CB 0.692 39.567 39.000 -0.209 0.000 1.220 931 F HN -0.006 nan 8.300 nan 0.000 0.499 932 P HA 0.259 nan 4.420 nan 0.000 0.269 932 P C -1.027 175.944 177.300 -0.548 0.000 1.209 932 P CA 0.068 62.931 63.100 -0.395 0.000 0.776 932 P CB 1.213 32.697 31.700 -0.362 0.000 0.876 933 S N -0.143 115.438 115.700 -0.198 0.000 2.703 933 S HA 0.443 4.921 4.470 0.014 0.000 0.273 933 S C -0.831 173.757 174.600 -0.020 0.000 1.178 933 S CA -0.946 57.175 58.200 -0.130 0.000 0.838 933 S CB 0.402 63.548 63.200 -0.090 0.000 1.178 933 S HN 0.343 nan 8.310 nan 0.000 0.494 934 E N 1.135 121.335 120.200 -0.000 0.000 2.568 934 E HA 0.335 4.694 4.350 0.014 0.000 0.262 934 E C -0.180 176.481 176.600 0.102 0.000 0.961 934 E CA 0.922 57.356 56.400 0.057 0.000 0.945 934 E CB -0.211 29.548 29.700 0.099 0.000 0.924 934 E HN 0.812 nan 8.360 nan 0.000 0.467 935 N N 1.303 120.104 118.700 0.168 0.000 3.046 935 N HA 0.467 5.215 4.740 0.014 0.000 0.243 935 N C 0.109 175.691 175.510 0.119 0.000 1.452 935 N CA -0.558 52.633 53.050 0.235 0.000 0.882 935 N CB 0.909 39.536 38.487 0.234 0.000 1.425 935 N HN 0.752 nan 8.380 nan 0.000 0.517 936 G N -1.184 107.651 108.800 0.059 0.000 2.155 936 G HA2 -0.271 3.698 3.960 0.014 0.000 0.257 936 G HA3 -0.271 3.698 3.960 0.014 0.000 0.257 936 G C -0.203 174.451 174.900 -0.410 0.000 0.983 936 G CA 0.481 45.488 45.100 -0.155 0.000 0.676 936 G HN 0.700 nan 8.290 nan 0.000 0.528 937 L N -0.220 120.687 121.223 -0.528 0.000 2.483 937 L HA 0.671 5.019 4.340 0.014 0.000 0.275 937 L C 0.740 177.030 176.870 -0.966 0.000 1.220 937 L CA 0.412 54.695 54.840 -0.927 0.000 0.833 937 L CB 0.551 41.698 42.059 -1.520 0.000 1.102 937 L HN 0.264 nan 8.230 nan 0.000 0.490 938 R N 1.977 121.816 120.500 -1.103 0.000 2.532 938 R HA 0.499 4.847 4.340 0.014 0.000 0.297 938 R C -0.963 174.994 176.300 -0.571 0.000 0.984 938 R CA -0.291 55.298 56.100 -0.851 0.000 0.884 938 R CB 1.414 31.025 30.300 -1.149 0.000 1.182 938 R HN 0.709 nan 8.270 nan 0.000 0.442 939 C N 0.258 119.373 119.300 -0.309 0.000 2.484 939 C HA 0.699 5.167 4.460 0.014 0.000 0.409 939 C C 1.306 176.277 174.990 -0.031 0.000 1.434 939 C CA 0.094 59.005 59.018 -0.178 0.000 1.913 939 C CB 1.281 28.941 27.740 -0.132 0.000 2.028 939 C HN 1.026 nan 8.230 nan 0.000 0.516 940 G N 1.583 110.383 108.800 -0.001 0.000 2.341 940 G HA2 -0.192 3.776 3.960 0.014 0.000 0.292 940 G HA3 -0.192 3.776 3.960 0.014 0.000 0.292 940 G C -0.025 174.942 174.900 0.111 0.000 1.021 940 G CA 0.686 45.841 45.100 0.092 0.000 0.905 940 G HN 0.784 nan 8.290 nan 0.000 0.508 941 T N 0.026 114.518 114.554 -0.103 0.000 2.806 941 T HA 0.508 4.867 4.350 0.014 0.000 0.290 941 T C 1.325 175.719 174.700 -0.510 0.000 0.966 941 T CA -0.571 61.391 62.100 -0.229 0.000 1.060 941 T CB 1.351 70.090 68.868 -0.215 0.000 0.927 941 T HN 0.213 nan 8.240 nan 0.000 0.485 942 R N 1.563 121.967 120.500 -0.160 0.000 2.282 942 R HA 0.293 4.641 4.340 0.014 0.000 0.195 942 R C 0.487 176.797 176.300 0.016 0.000 0.909 942 R CA 0.175 56.247 56.100 -0.047 0.000 1.039 942 R CB 0.391 30.802 30.300 0.184 0.000 1.015 942 R HN 0.713 nan 8.270 nan 0.000 0.513 943 E N 0.481 120.692 120.200 0.019 0.000 2.347 943 E HA 0.299 4.658 4.350 0.014 0.000 0.285 943 E C -1.902 174.822 176.600 0.207 0.000 0.925 943 E CA -0.613 55.894 56.400 0.177 0.000 0.779 943 E CB 1.431 31.206 29.700 0.125 0.000 1.233 943 E HN -0.081 nan 8.360 nan 0.000 0.414 944 L N 4.007 125.426 121.223 0.326 0.000 2.385 944 L HA 0.613 4.962 4.340 0.014 0.000 0.273 944 L C -1.803 175.260 176.870 0.321 0.000 0.990 944 L CA -0.400 54.572 54.840 0.220 0.000 0.821 944 L CB 1.811 43.874 42.059 0.006 0.000 1.279 944 L HN 0.482 nan 8.230 nan 0.000 0.412 945 N N 4.343 123.203 118.700 0.267 0.000 2.354 945 N HA 0.391 5.140 4.740 0.014 0.000 0.287 945 N C -1.993 173.742 175.510 0.376 0.000 1.016 945 N CA -0.259 52.948 53.050 0.262 0.000 0.871 945 N CB 2.204 40.788 38.487 0.163 0.000 1.299 945 N HN 0.609 nan 8.380 nan 0.000 0.482 946 Y N 1.342 121.782 120.300 0.233 0.000 2.307 946 Y HA 0.400 4.959 4.550 0.014 0.000 0.323 946 Y C 0.591 176.593 175.900 0.171 0.000 1.100 946 Y CA 0.074 58.310 58.100 0.227 0.000 1.140 946 Y CB 0.484 39.141 38.460 0.328 0.000 1.159 946 Y HN 0.867 nan 8.280 nan 0.000 0.436 947 G N 6.569 115.219 108.800 -0.250 0.000 2.583 947 G HA2 -0.304 3.664 3.960 0.014 0.000 0.292 947 G HA3 -0.304 3.664 3.960 0.014 0.000 0.292 947 G C -1.649 173.128 174.900 -0.205 0.000 1.203 947 G CA 0.111 45.031 45.100 -0.300 0.000 0.987 947 G HN 0.571 nan 8.290 nan 0.000 0.554 948 P HA 0.126 nan 4.420 nan 0.000 0.236 948 P C 0.355 177.459 177.300 -0.326 0.000 1.177 948 P CA 0.834 63.735 63.100 -0.332 0.000 0.773 948 P CB -0.023 31.424 31.700 -0.421 0.000 0.878 949 H N 0.483 119.488 119.070 -0.108 0.000 2.505 949 H HA 0.416 4.980 4.556 0.014 0.000 0.351 949 H C 0.051 175.085 175.328 -0.490 0.000 1.151 949 H CA 0.184 56.025 56.048 -0.345 0.000 1.339 949 H CB 1.213 30.597 29.762 -0.630 0.000 1.483 949 H HN 0.099 nan 8.280 nan 0.000 0.558 950 Q N 2.428 121.920 119.800 -0.513 0.000 2.285 950 Q HA 0.219 4.568 4.340 0.014 0.000 0.269 950 Q C -1.562 174.131 176.000 -0.512 0.000 1.030 950 Q CA -0.658 54.958 55.803 -0.311 0.000 0.788 950 Q CB 1.828 30.529 28.738 -0.062 0.000 1.266 950 Q HN 0.566 nan 8.270 nan 0.000 0.438 951 W N 3.785 125.031 121.300 -0.089 0.000 2.573 951 W HA 0.578 5.247 4.660 0.014 0.000 0.326 951 W C -0.152 176.447 176.519 0.134 0.000 1.049 951 W CA -0.705 56.558 57.345 -0.137 0.000 1.220 951 W CB 1.941 31.113 29.460 -0.480 0.000 1.373 951 W HN 0.527 nan 8.180 nan 0.000 0.507 952 R N 0.596 121.326 120.500 0.383 0.000 2.750 952 R HA 0.782 5.130 4.340 0.014 0.000 0.281 952 R C 0.216 176.795 176.300 0.465 0.000 0.972 952 R CA -0.374 55.974 56.100 0.414 0.000 0.912 952 R CB 2.378 32.828 30.300 0.249 0.000 1.187 952 R HN 0.738 nan 8.270 nan 0.000 0.464 953 G N 0.642 109.714 108.800 0.454 0.000 2.564 953 G HA2 0.022 3.990 3.960 0.014 0.000 0.139 953 G HA3 0.022 3.990 3.960 0.014 0.000 0.139 953 G C -1.767 173.285 174.900 0.253 0.000 1.147 953 G CA -0.351 44.983 45.100 0.391 0.000 1.031 953 G HN 0.492 nan 8.290 nan 0.000 0.482 954 D N 0.177 120.728 120.400 0.251 0.000 2.381 954 D HA 0.575 5.224 4.640 0.014 0.000 0.245 954 D C -0.662 175.664 176.300 0.044 0.000 1.297 954 D CA -0.492 53.537 54.000 0.049 0.000 0.931 954 D CB 0.149 41.002 40.800 0.089 0.000 1.334 954 D HN 0.496 nan 8.370 nan 0.000 0.535 955 F N -0.214 119.733 119.950 -0.005 0.000 2.764 955 F HA 0.746 5.281 4.527 0.014 0.000 0.347 955 F C -0.735 175.019 175.800 -0.077 0.000 1.151 955 F CA -1.020 56.912 58.000 -0.114 0.000 1.021 955 F CB 0.722 39.654 39.000 -0.114 0.000 1.438 955 F HN -0.181 nan 8.300 nan 0.000 0.516 956 Q N 1.384 121.262 119.800 0.130 0.000 2.348 956 Q HA 0.641 4.989 4.340 0.014 0.000 0.271 956 Q C -1.264 174.820 176.000 0.141 0.000 1.067 956 Q CA -0.562 55.235 55.803 -0.010 0.000 0.839 956 Q CB 2.669 31.294 28.738 -0.187 0.000 1.354 956 Q HN 0.850 nan 8.270 nan 0.000 0.447 957 F N -1.174 118.668 119.950 -0.181 0.000 2.693 957 F HA 0.734 5.269 4.527 0.014 0.000 0.309 957 F C -1.531 174.059 175.800 -0.349 0.000 1.129 957 F CA -1.092 56.759 58.000 -0.249 0.000 0.948 957 F CB 1.422 40.303 39.000 -0.199 0.000 1.315 957 F HN 0.571 nan 8.300 nan 0.000 0.447 958 N N 1.693 120.261 118.700 -0.220 0.000 2.455 958 N HA 0.784 5.532 4.740 0.014 0.000 0.278 958 N C -2.023 173.433 175.510 -0.090 0.000 1.291 958 N CA -0.821 52.049 53.050 -0.301 0.000 0.780 958 N CB 2.699 41.021 38.487 -0.274 0.000 1.520 958 N HN 1.134 nan 8.380 nan 0.000 0.486 959 I N 0.011 120.520 120.570 -0.102 0.000 2.685 959 I HA 0.616 4.794 4.170 0.014 0.000 0.289 959 I C -1.562 174.483 176.117 -0.121 0.000 1.292 959 I CA 0.080 61.292 61.300 -0.146 0.000 1.050 959 I CB 1.262 39.104 38.000 -0.264 0.000 1.301 959 I HN 1.074 nan 8.210 nan 0.000 0.425 960 S N 6.201 121.844 115.700 -0.095 0.000 2.655 960 S HA 0.508 4.986 4.470 0.014 0.000 0.266 960 S C -0.311 174.193 174.600 -0.160 0.000 1.149 960 S CA -0.976 57.157 58.200 -0.112 0.000 0.818 960 S CB 1.661 64.853 63.200 -0.013 0.000 1.130 960 S HN 0.626 nan 8.310 nan 0.000 0.476 961 R N -0.116 120.121 120.500 -0.439 0.000 2.335 961 R HA 0.277 4.625 4.340 0.014 0.000 0.223 961 R C -0.991 174.993 176.300 -0.527 0.000 0.940 961 R CA 0.298 56.123 56.100 -0.459 0.000 1.086 961 R CB -1.141 28.755 30.300 -0.674 0.000 1.073 961 R HN 0.617 nan 8.270 nan 0.000 0.504 962 Y N -0.265 120.006 120.300 -0.050 0.000 2.409 962 Y HA 0.236 4.795 4.550 0.014 0.000 0.343 962 Y C 0.681 176.371 175.900 -0.349 0.000 0.973 962 Y CA -1.436 56.545 58.100 -0.199 0.000 1.064 962 Y CB 1.398 39.683 38.460 -0.292 0.000 1.207 962 Y HN -0.104 nan 8.280 nan 0.000 0.452 963 S N 1.808 117.187 115.700 -0.535 0.000 2.592 963 S HA 0.080 4.558 4.470 0.014 0.000 0.271 963 S C 0.867 175.117 174.600 -0.583 0.000 1.326 963 S CA -0.737 56.772 58.200 -1.152 0.000 1.024 963 S CB 1.179 63.644 63.200 -1.224 0.000 0.921 963 S HN 0.717 nan 8.310 nan 0.000 0.527 964 Q N 1.022 120.498 119.800 -0.540 0.000 2.135 964 Q HA -0.231 4.117 4.340 0.014 0.000 0.204 964 Q C 2.189 178.043 176.000 -0.244 0.000 0.981 964 Q CA 2.019 57.652 55.803 -0.285 0.000 0.856 964 Q CB -0.535 28.072 28.738 -0.217 0.000 0.902 964 Q HN 0.984 nan 8.270 nan 0.000 0.425 965 Q N 0.554 120.175 119.800 -0.298 0.000 2.096 965 Q HA -0.227 4.121 4.340 0.014 0.000 0.204 965 Q C 2.139 178.028 176.000 -0.185 0.000 0.982 965 Q CA 1.643 57.328 55.803 -0.197 0.000 0.850 965 Q CB 0.004 28.632 28.738 -0.184 0.000 0.901 965 Q HN 0.406 nan 8.270 nan 0.000 0.422 966 Q N -0.037 119.622 119.800 -0.234 0.000 2.079 966 Q HA -0.164 4.184 4.340 0.014 0.000 0.200 966 Q C 2.198 178.067 176.000 -0.218 0.000 0.974 966 Q CA 1.272 56.951 55.803 -0.207 0.000 0.840 966 Q CB -0.070 28.518 28.738 -0.249 0.000 0.898 966 Q HN 0.485 nan 8.270 nan 0.000 0.430 967 L N 0.260 121.348 121.223 -0.226 0.000 2.042 967 L HA -0.223 4.125 4.340 0.014 0.000 0.210 967 L C 2.705 179.433 176.870 -0.236 0.000 1.076 967 L CA 1.386 56.087 54.840 -0.231 0.000 0.749 967 L CB -0.424 41.532 42.059 -0.171 0.000 0.893 967 L HN 0.419 nan 8.230 nan 0.000 0.432 968 M N -0.573 118.920 119.600 -0.178 0.000 2.476 968 M HA -0.141 4.347 4.480 0.014 0.000 0.262 968 M C 1.235 177.458 176.300 -0.129 0.000 1.079 968 M CA 1.549 56.760 55.300 -0.149 0.000 1.104 968 M CB 0.110 32.638 32.600 -0.120 0.000 1.409 968 M HN 0.219 nan 8.290 nan 0.000 0.467 969 E N -0.422 119.701 120.200 -0.129 0.000 2.498 969 E HA 0.110 4.468 4.350 0.014 0.000 0.203 969 E C -0.528 176.023 176.600 -0.082 0.000 1.013 969 E CA -0.071 56.280 56.400 -0.083 0.000 0.927 969 E CB 0.790 30.450 29.700 -0.067 0.000 1.012 969 E HN 0.261 nan 8.360 nan 0.000 0.482 970 T N 0.199 114.665 114.554 -0.146 0.000 2.797 970 T HA 0.104 4.462 4.350 0.014 0.000 0.279 970 T C 0.920 175.528 174.700 -0.153 0.000 0.991 970 T CA -0.500 61.517 62.100 -0.138 0.000 0.979 970 T CB 1.663 70.412 68.868 -0.198 0.000 0.943 970 T HN 0.007 nan 8.240 nan 0.000 0.444 971 S N 1.630 117.337 115.700 0.012 0.000 2.548 971 S HA 0.139 4.617 4.470 0.014 0.000 0.215 971 S C 0.175 174.846 174.600 0.119 0.000 0.976 971 S CA 0.087 58.373 58.200 0.142 0.000 0.908 971 S CB -0.191 63.241 63.200 0.386 0.000 0.781 971 S HN 0.730 nan 8.310 nan 0.000 0.519 972 H N 0.629 119.694 119.070 -0.010 0.000 2.865 972 H HA 0.473 5.037 4.556 0.014 0.000 0.362 972 H C 0.865 176.143 175.328 -0.084 0.000 1.114 972 H CA -0.801 55.282 56.048 0.059 0.000 1.208 972 H CB 1.516 31.272 29.762 -0.010 0.000 1.727 972 H HN 0.118 nan 8.280 nan 0.000 0.534 973 R N 1.877 122.471 120.500 0.156 0.000 2.127 973 R HA -0.166 4.182 4.340 0.014 0.000 0.238 973 R C 1.196 177.495 176.300 -0.003 0.000 1.134 973 R CA 1.878 58.010 56.100 0.054 0.000 0.975 973 R CB -0.415 29.973 30.300 0.146 0.000 0.865 973 R HN 0.766 nan 8.270 nan 0.000 0.447 974 H N 1.036 120.106 119.070 0.000 0.000 2.521 974 H HA 0.031 4.595 4.556 0.014 0.000 0.286 974 H C 1.473 176.718 175.328 -0.138 0.000 1.034 974 H CA 0.754 56.760 56.048 -0.070 0.000 1.278 974 H CB -0.131 29.571 29.762 -0.101 0.000 1.386 974 H HN 0.313 nan 8.280 nan 0.000 0.567 975 L N 0.971 121.767 121.223 -0.711 0.000 2.592 975 L HA 0.202 4.550 4.340 0.014 0.000 0.227 975 L C 0.643 177.362 176.870 -0.251 0.000 1.127 975 L CA -0.143 54.381 54.840 -0.526 0.000 0.884 975 L CB 0.059 41.784 42.059 -0.558 0.000 1.065 975 L HN 0.050 nan 8.230 nan 0.000 0.457 976 L N 0.648 121.714 121.223 -0.263 0.000 2.417 976 L HA 0.160 4.508 4.340 0.014 0.000 0.268 976 L C 0.251 177.073 176.870 -0.081 0.000 1.158 976 L CA -0.142 54.514 54.840 -0.307 0.000 0.819 976 L CB 0.403 42.044 42.059 -0.695 0.000 1.112 976 L HN 0.199 nan 8.230 nan 0.000 0.458 977 H N 1.327 120.422 119.070 0.042 0.000 2.600 977 H HA 0.607 5.171 4.556 0.014 0.000 0.357 977 H C -0.786 174.667 175.328 0.208 0.000 1.106 977 H CA -1.252 54.859 56.048 0.105 0.000 1.193 977 H CB 1.400 31.177 29.762 0.026 0.000 1.594 977 H HN 0.686 nan 8.280 nan 0.000 0.526 978 A N 3.484 126.420 122.820 0.193 0.000 2.520 978 A HA 0.082 4.410 4.320 0.014 0.000 0.245 978 A C 0.346 177.983 177.584 0.087 0.000 1.072 978 A CA -0.093 51.904 52.037 -0.066 0.000 0.761 978 A CB -0.052 18.898 19.000 -0.084 0.000 1.004 978 A HN 0.860 nan 8.150 nan 0.000 0.499 979 E N 0.794 121.017 120.200 0.038 0.000 2.330 979 E HA 0.226 4.585 4.350 0.014 0.000 0.256 979 E C -0.007 176.647 176.600 0.089 0.000 1.146 979 E CA -0.715 55.792 56.400 0.178 0.000 0.945 979 E CB 0.625 30.497 29.700 0.287 0.000 1.182 979 E HN 0.801 nan 8.360 nan 0.000 0.480 980 E N 0.057 120.306 120.200 0.081 0.000 2.398 980 E HA 0.206 4.564 4.350 0.014 0.000 0.263 980 E C 0.258 176.831 176.600 -0.045 0.000 1.046 980 E CA 0.578 56.986 56.400 0.012 0.000 0.908 980 E CB 0.414 30.117 29.700 0.005 0.000 0.963 980 E HN 0.660 nan 8.360 nan 0.000 0.431 981 G N 2.512 111.281 108.800 -0.051 0.000 2.697 981 G HA2 -0.231 3.737 3.960 0.014 0.000 0.240 981 G HA3 -0.231 3.737 3.960 0.014 0.000 0.240 981 G C -0.627 174.216 174.900 -0.096 0.000 1.346 981 G CA -0.149 44.900 45.100 -0.084 0.000 0.887 981 G HN 0.604 nan 8.290 nan 0.000 0.569 982 T N 0.124 114.599 114.554 -0.131 0.000 2.848 982 T HA 0.514 4.872 4.350 0.014 0.000 0.285 982 T C -0.719 173.815 174.700 -0.276 0.000 0.995 982 T CA -0.172 61.856 62.100 -0.120 0.000 0.970 982 T CB 1.429 70.319 68.868 0.037 0.000 0.976 982 T HN 0.564 nan 8.240 nan 0.000 0.441 983 W N 3.044 124.258 121.300 -0.144 0.000 2.322 983 W HA 0.605 5.273 4.660 0.014 0.000 0.307 983 W C -0.307 176.084 176.519 -0.214 0.000 1.220 983 W CA -0.699 56.556 57.345 -0.150 0.000 1.210 983 W CB 0.776 30.159 29.460 -0.128 0.000 1.223 983 W HN 0.380 nan 8.180 nan 0.000 0.511 984 L N 5.569 126.775 121.223 -0.029 0.000 2.333 984 L HA 0.512 4.860 4.340 0.014 0.000 0.280 984 L C -0.997 175.777 176.870 -0.161 0.000 1.004 984 L CA -0.422 54.284 54.840 -0.223 0.000 0.820 984 L CB 0.860 42.623 42.059 -0.492 0.000 1.247 984 L HN 0.303 nan 8.230 nan 0.000 0.416 985 N N 6.927 125.526 118.700 -0.168 0.000 2.479 985 N HA 0.470 5.218 4.740 0.014 0.000 0.261 985 N C -1.209 174.163 175.510 -0.229 0.000 0.979 985 N CA -0.196 52.756 53.050 -0.164 0.000 0.930 985 N CB 2.163 40.584 38.487 -0.110 0.000 1.172 985 N HN 0.561 nan 8.380 nan 0.000 0.499 986 I N 1.940 122.327 120.570 -0.305 0.000 2.410 986 I HA 0.242 4.421 4.170 0.014 0.000 0.286 986 I C -0.694 175.233 176.117 -0.315 0.000 1.009 986 I CA -0.587 60.495 61.300 -0.363 0.000 1.111 986 I CB 1.627 39.225 38.000 -0.670 0.000 1.262 986 I HN 0.171 nan 8.210 nan 0.000 0.443 987 D N 4.450 124.700 120.400 -0.249 0.000 2.248 987 D HA 0.293 4.941 4.640 0.014 0.000 0.246 987 D C 0.908 176.904 176.300 -0.508 0.000 1.027 987 D CA -0.279 53.506 54.000 -0.358 0.000 0.853 987 D CB 2.527 43.217 40.800 -0.183 0.000 1.243 987 D HN 0.689 nan 8.370 nan 0.000 0.462 988 G N 0.711 108.919 108.800 -0.987 0.000 2.430 988 G HA2 0.028 3.996 3.960 0.014 0.000 0.216 988 G HA3 0.028 3.996 3.960 0.014 0.000 0.216 988 G C 0.054 174.203 174.900 -1.252 0.000 1.146 988 G CA 0.491 44.882 45.100 -1.181 0.000 0.793 988 G HN 0.355 nan 8.290 nan 0.000 0.537 989 F N -1.935 117.812 119.950 -0.339 0.000 2.608 989 F HA 0.578 5.113 4.527 0.014 0.000 0.309 989 F C -0.612 175.088 175.800 -0.167 0.000 1.103 989 F CA -1.212 56.668 58.000 -0.199 0.000 0.954 989 F CB 2.063 40.870 39.000 -0.322 0.000 1.267 989 F HN 0.027 nan 8.300 nan 0.000 0.444 990 H N 1.930 120.997 119.070 -0.006 0.000 2.771 990 H HA 0.559 5.123 4.556 0.014 0.000 0.361 990 H C -0.781 174.567 175.328 0.032 0.000 1.108 990 H CA -0.887 55.137 56.048 -0.040 0.000 1.201 990 H CB 1.870 31.600 29.762 -0.053 0.000 1.681 990 H HN 0.782 nan 8.280 nan 0.000 0.534 991 M N 3.405 122.975 119.600 -0.049 0.000 2.245 991 M HA 0.296 4.784 4.480 0.014 0.000 0.330 991 M C 0.492 176.908 176.300 0.195 0.000 1.098 991 M CA 0.355 55.683 55.300 0.048 0.000 1.172 991 M CB 0.415 32.938 32.600 -0.128 0.000 1.467 991 M HN 0.816 nan 8.290 nan 0.000 0.454 992 G N 2.516 111.412 108.800 0.160 0.000 2.716 992 G HA2 0.281 4.250 3.960 0.014 0.000 0.251 992 G HA3 0.281 4.250 3.960 0.014 0.000 0.251 992 G C 0.573 175.457 174.900 -0.027 0.000 1.224 992 G CA -0.293 44.836 45.100 0.048 0.000 0.891 992 G HN 0.975 nan 8.290 nan 0.000 0.561 993 I N -2.054 118.445 120.570 -0.120 0.000 3.462 993 I HA 0.422 4.601 4.170 0.014 0.000 0.290 993 I C 1.220 177.256 176.117 -0.134 0.000 1.236 993 I CA 0.423 61.608 61.300 -0.191 0.000 1.418 993 I CB -0.565 37.216 38.000 -0.365 0.000 1.102 993 I HN 0.948 nan 8.210 nan 0.000 0.441 994 G N 1.482 110.224 108.800 -0.096 0.000 2.698 994 G HA2 0.050 4.019 3.960 0.014 0.000 0.233 994 G HA3 0.050 4.019 3.960 0.014 0.000 0.233 994 G C 0.519 175.400 174.900 -0.031 0.000 1.352 994 G CA 0.083 45.162 45.100 -0.035 0.000 0.879 994 G HN 1.321 nan 8.290 nan 0.000 0.567 995 G N -2.388 106.412 108.800 -0.000 0.000 2.870 995 G HA2 0.032 4.000 3.960 0.014 0.000 0.216 995 G HA3 0.032 4.000 3.960 0.014 0.000 0.216 995 G C 0.661 175.609 174.900 0.080 0.000 0.973 995 G CA 0.973 46.084 45.100 0.019 0.000 0.807 995 G HN 0.928 nan 8.290 nan 0.000 0.573 996 D N 1.288 121.752 120.400 0.107 0.000 2.158 996 D HA 0.057 4.706 4.640 0.014 0.000 0.197 996 D C 1.059 177.382 176.300 0.037 0.000 0.995 996 D CA 2.119 56.241 54.000 0.204 0.000 0.846 996 D CB 0.140 41.074 40.800 0.224 0.000 0.941 996 D HN 0.797 nan 8.370 nan 0.000 0.456 997 D N -3.274 116.949 120.400 -0.294 0.000 2.677 997 D HA 0.363 5.011 4.640 0.014 0.000 0.298 997 D C -0.828 174.990 176.300 -0.803 0.000 1.250 997 D CA -0.739 52.690 54.000 -0.952 0.000 0.888 997 D CB 0.930 40.562 40.800 -1.947 0.000 1.397 997 D HN -0.304 nan 8.370 nan 0.000 0.461 998 S N -0.774 114.297 115.700 -1.049 0.000 2.809 998 S HA 0.256 4.734 4.470 0.014 0.000 0.248 998 S C -0.773 173.848 174.600 0.035 0.000 1.071 998 S CA -0.703 57.335 58.200 -0.271 0.000 1.059 998 S CB -0.465 62.782 63.200 0.078 0.000 0.923 998 S HN 0.620 nan 8.310 nan 0.000 0.516 999 W N 0.656 121.888 121.300 -0.113 0.000 2.079 999 W HA 0.512 5.179 4.660 0.013 0.000 0.285 999 W C 0.043 176.504 176.519 -0.096 0.000 0.891 999 W CA -0.377 56.905 57.345 -0.105 0.000 1.308 999 W CB -0.466 28.858 29.460 -0.227 0.000 1.047 999 W HN 0.197 nan 8.180 nan 0.000 0.522 1000 S N -0.991 114.563 115.700 -0.244 0.000 2.570 1000 S HA 0.670 5.148 4.470 0.014 0.000 0.270 1000 S C -3.151 171.371 174.600 -0.131 0.000 1.149 1000 S CA -1.608 56.504 58.200 -0.146 0.000 0.837 1000 S CB 1.818 64.946 63.200 -0.120 0.000 1.124 1000 S HN -0.240 nan 8.310 nan 0.000 0.465 1001 P HA 0.233 nan 4.420 nan 0.000 0.267 1001 P C 0.246 177.582 177.300 0.061 0.000 1.205 1001 P CA -0.068 63.039 63.100 0.010 0.000 0.765 1001 P CB 0.791 32.385 31.700 -0.175 0.000 0.828 1002 S N 0.421 116.197 115.700 0.128 0.000 2.847 1002 S HA 0.143 4.621 4.470 0.014 0.000 0.254 1002 S C 0.158 174.836 174.600 0.131 0.000 1.039 1002 S CA -0.316 57.930 58.200 0.078 0.000 1.113 1002 S CB -0.290 62.903 63.200 -0.012 0.000 1.092 1002 S HN 0.104 nan 8.310 nan 0.000 0.620 1003 V N 2.872 122.910 119.914 0.207 0.000 2.455 1003 V HA 0.390 4.518 4.120 0.014 0.000 0.273 1003 V C 0.817 177.059 176.094 0.247 0.000 1.045 1003 V CA -0.248 62.159 62.300 0.179 0.000 0.976 1003 V CB 0.999 32.870 31.823 0.079 0.000 0.993 1003 V HN 0.526 nan 8.190 nan 0.000 0.475 1004 S N 4.049 119.905 115.700 0.259 0.000 2.579 1004 S HA 0.317 4.795 4.470 0.014 0.000 0.275 1004 S C 1.547 176.299 174.600 0.254 0.000 1.345 1004 S CA 0.079 58.433 58.200 0.257 0.000 1.031 1004 S CB 1.179 64.563 63.200 0.306 0.000 0.892 1004 S HN 0.984 nan 8.310 nan 0.000 0.529 1005 A N 3.385 126.312 122.820 0.178 0.000 1.917 1005 A HA -0.162 4.166 4.320 0.014 0.000 0.219 1005 A C 2.021 179.651 177.584 0.076 0.000 1.182 1005 A CA 1.938 54.063 52.037 0.148 0.000 0.633 1005 A CB -0.774 18.289 19.000 0.104 0.000 0.819 1005 A HN 0.969 nan 8.150 nan 0.000 0.448 1006 E N -0.961 119.228 120.200 -0.019 0.000 2.401 1006 E HA -0.145 4.214 4.350 0.014 0.000 0.199 1006 E C 0.644 177.047 176.600 -0.328 0.000 1.023 1006 E CA 0.858 57.131 56.400 -0.212 0.000 0.859 1006 E CB -0.402 29.081 29.700 -0.362 0.000 0.780 1006 E HN 0.641 nan 8.360 nan 0.000 0.523 1007 F N 1.198 121.200 119.950 0.087 0.000 2.639 1007 F HA 0.293 4.828 4.527 0.013 0.000 0.302 1007 F C 0.780 176.619 175.800 0.065 0.000 1.097 1007 F CA -0.406 57.645 58.000 0.085 0.000 1.294 1007 F CB 0.450 39.500 39.000 0.083 0.000 1.027 1007 F HN -0.183 nan 8.300 nan 0.000 0.550 1008 Q N 1.087 120.997 119.800 0.184 0.000 2.235 1008 Q HA 0.395 4.743 4.340 0.014 0.000 0.250 1008 Q C -0.117 175.920 176.000 0.061 0.000 0.909 1008 Q CA -0.462 55.425 55.803 0.139 0.000 0.910 1008 Q CB 1.784 30.691 28.738 0.282 0.000 1.223 1008 Q HN 0.233 nan 8.270 nan 0.000 0.432 1009 L N 2.550 123.793 121.223 0.034 0.000 2.399 1009 L HA 0.098 4.446 4.340 0.014 0.000 0.257 1009 L C 0.572 177.415 176.870 -0.045 0.000 1.236 1009 L CA -0.028 54.821 54.840 0.016 0.000 1.144 1009 L CB -0.408 41.551 42.059 -0.166 0.000 1.379 1009 L HN 0.673 nan 8.230 nan 0.000 0.414 1010 S N -1.278 114.297 115.700 -0.208 0.000 2.568 1010 S HA 0.174 4.652 4.470 0.014 0.000 0.232 1010 S C 1.541 176.053 174.600 -0.147 0.000 0.975 1010 S CA 0.128 58.039 58.200 -0.482 0.000 0.949 1010 S CB 0.791 63.544 63.200 -0.745 0.000 0.829 1010 S HN 0.507 nan 8.310 nan 0.000 0.479 1011 A N 1.355 124.122 122.820 -0.089 0.000 2.168 1011 A HA 0.471 4.799 4.320 0.014 0.000 0.215 1011 A C 2.094 179.502 177.584 -0.295 0.000 1.152 1011 A CA 1.047 52.891 52.037 -0.320 0.000 0.716 1011 A CB -1.246 17.366 19.000 -0.647 0.000 0.794 1011 A HN 1.440 nan 8.150 nan 0.000 0.465 1012 G N -1.058 107.671 108.800 -0.118 0.000 2.708 1012 G HA2 -0.320 3.648 3.960 0.014 0.000 0.229 1012 G HA3 -0.320 3.648 3.960 0.014 0.000 0.229 1012 G C 0.495 175.368 174.900 -0.044 0.000 1.236 1012 G CA 0.557 45.647 45.100 -0.017 0.000 0.749 1012 G HN 0.686 nan 8.290 nan 0.000 0.515 1013 R N -0.513 119.841 120.500 -0.242 0.000 2.561 1013 R HA 0.680 5.028 4.340 0.014 0.000 0.297 1013 R C -1.560 174.490 176.300 -0.417 0.000 0.969 1013 R CA -0.603 55.405 56.100 -0.155 0.000 0.879 1013 R CB 1.524 31.770 30.300 -0.089 0.000 1.178 1013 R HN 0.239 nan 8.270 nan 0.000 0.445 1014 Y N 0.450 120.733 120.300 -0.028 0.000 2.477 1014 Y HA 0.318 4.876 4.550 0.014 0.000 0.347 1014 Y C -0.427 175.594 175.900 0.202 0.000 0.981 1014 Y CA -0.798 57.238 58.100 -0.107 0.000 1.033 1014 Y CB 2.059 40.337 38.460 -0.303 0.000 1.245 1014 Y HN 0.577 nan 8.280 nan 0.000 0.455 1015 H N 3.082 122.393 119.070 0.401 0.000 2.600 1015 H HA 0.617 5.181 4.556 0.014 0.000 0.357 1015 H C -1.720 173.998 175.328 0.650 0.000 1.106 1015 H CA -0.876 55.414 56.048 0.404 0.000 1.193 1015 H CB 1.072 30.976 29.762 0.237 0.000 1.594 1015 H HN 0.538 nan 8.280 nan 0.000 0.526 1016 Y N 1.453 121.510 120.300 -0.406 0.000 2.638 1016 Y HA 0.480 5.038 4.550 0.014 0.000 0.335 1016 Y C -2.051 173.641 175.900 -0.347 0.000 1.155 1016 Y CA -1.144 56.816 58.100 -0.234 0.000 1.046 1016 Y CB 1.234 39.689 38.460 -0.009 0.000 1.303 1016 Y HN 0.743 nan 8.280 nan 0.000 0.460 1017 Q N 2.400 122.183 119.800 -0.027 0.000 2.377 1017 Q HA 0.799 5.147 4.340 0.014 0.000 0.279 1017 Q C -2.224 173.861 176.000 0.142 0.000 1.049 1017 Q CA -1.044 54.737 55.803 -0.036 0.000 0.825 1017 Q CB 3.361 32.119 28.738 0.032 0.000 1.401 1017 Q HN 0.856 nan 8.270 nan 0.000 0.404 1018 L N 0.808 122.100 121.223 0.115 0.000 2.415 1018 L HA 0.722 5.071 4.340 0.014 0.000 0.256 1018 L C -1.271 175.713 176.870 0.191 0.000 1.010 1018 L CA -1.044 53.904 54.840 0.181 0.000 0.826 1018 L CB 2.875 45.022 42.059 0.146 0.000 1.405 1018 L HN 0.533 nan 8.230 nan 0.000 0.410 1019 V N 0.794 120.846 119.914 0.229 0.000 2.487 1019 V HA 0.406 4.534 4.120 0.014 0.000 0.298 1019 V C -1.398 174.860 176.094 0.273 0.000 1.028 1019 V CA -0.493 61.947 62.300 0.234 0.000 0.860 1019 V CB 2.077 34.013 31.823 0.187 0.000 0.991 1019 V HN 0.611 nan 8.190 nan 0.000 0.427 1020 W N 6.839 128.193 121.300 0.090 0.000 2.417 1020 W HA 0.710 5.378 4.660 0.014 0.000 0.315 1020 W C -0.221 176.294 176.519 -0.006 0.000 1.045 1020 W CA -1.138 56.179 57.345 -0.046 0.000 1.221 1020 W CB 1.351 30.849 29.460 0.062 0.000 1.309 1020 W HN 0.883 nan 8.180 nan 0.000 0.453 1021 C N 3.778 123.300 119.300 0.371 0.000 3.318 1021 C HA 0.843 5.311 4.460 0.014 0.000 0.329 1021 C C -0.556 174.550 174.990 0.193 0.000 1.449 1021 C CA -0.898 58.279 59.018 0.266 0.000 1.397 1021 C CB 1.520 29.362 27.740 0.171 0.000 1.810 1021 C HN 0.686 nan 8.230 nan 0.000 0.449 1022 Q N 1.232 121.100 119.800 0.114 0.000 2.316 1022 Q HA 0.757 5.106 4.340 0.014 0.000 0.264 1022 Q C -0.746 175.256 176.000 0.002 0.000 0.987 1022 Q CA -0.018 55.801 55.803 0.027 0.000 0.852 1022 Q CB 1.081 29.806 28.738 -0.022 0.000 1.287 1022 Q HN 0.890 nan 8.270 nan 0.000 0.448 1023 K N 0.000 120.379 120.400 -0.035 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.014 0.000 0.191 1023 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 1023 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543