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_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP 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 0.000 176.076 176.300 -0.373 0.000 0.893 13 R CA 0.000 55.957 56.100 -0.238 0.000 0.921 13 R CB 0.000 30.165 30.300 -0.225 0.000 0.687 14 R N 1.822 121.977 120.500 -0.575 0.000 3.251 14 R HA -0.156 4.200 4.340 0.027 0.000 0.249 14 R C -0.261 175.487 176.300 -0.919 0.000 0.949 14 R CA 0.785 56.131 56.100 -1.256 0.000 0.645 14 R CB -1.233 28.519 30.300 -0.913 0.000 1.065 14 R HN 0.260 nan 8.270 nan 0.000 0.452 15 D N -0.231 119.819 120.400 -0.583 0.000 2.311 15 D HA -0.178 4.478 4.640 0.027 0.000 0.212 15 D C 1.570 177.764 176.300 -0.176 0.000 0.972 15 D CA 1.599 55.351 54.000 -0.414 0.000 0.887 15 D CB -0.125 40.256 40.800 -0.698 0.000 0.915 15 D HN 0.727 nan 8.370 nan 0.000 0.497 16 W N 1.084 122.399 121.300 0.024 0.000 3.292 16 W HA 0.209 4.885 4.660 0.026 0.000 0.263 16 W C 0.446 177.061 176.519 0.161 0.000 1.318 16 W CA -0.294 57.172 57.345 0.202 0.000 1.663 16 W CB -0.193 29.436 29.460 0.283 0.000 1.114 16 W HN -0.200 nan 8.180 nan 0.000 0.706 17 E N 1.350 121.426 120.200 -0.206 0.000 3.385 17 E HA 0.061 4.427 4.350 0.027 0.000 0.206 17 E C -0.823 175.640 176.600 -0.228 0.000 0.997 17 E CA -0.221 56.096 56.400 -0.137 0.000 1.278 17 E CB -0.197 29.413 29.700 -0.149 0.000 1.165 17 E HN 0.021 nan 8.360 nan 0.000 0.452 18 N N 1.056 119.650 118.700 -0.177 0.000 2.629 18 N HA 0.123 4.879 4.740 0.027 0.000 0.277 18 N C -2.430 172.934 175.510 -0.244 0.000 1.188 18 N CA -1.761 51.145 53.050 -0.241 0.000 0.835 18 N CB 1.491 39.848 38.487 -0.217 0.000 1.420 18 N HN -0.143 nan 8.380 nan 0.000 0.542 19 P HA 0.098 nan 4.420 nan 0.000 0.237 19 P C 1.075 178.131 177.300 -0.407 0.000 1.178 19 P CA 0.482 63.240 63.100 -0.570 0.000 0.766 19 P CB 0.130 30.967 31.700 -1.438 0.000 0.876 20 G N -0.344 108.263 108.800 -0.323 0.000 2.650 20 G HA2 0.048 4.025 3.960 0.027 0.000 0.214 20 G HA3 0.048 4.025 3.960 0.027 0.000 0.214 20 G C 0.299 175.119 174.900 -0.134 0.000 1.136 20 G CA 0.216 45.183 45.100 -0.221 0.000 0.789 20 G HN 0.219 nan 8.290 nan 0.000 0.536 21 V N 1.521 121.373 119.914 -0.104 0.000 2.357 21 V HA 0.276 4.413 4.120 0.027 0.000 0.281 21 V C 0.769 176.919 176.094 0.093 0.000 1.015 21 V CA 0.054 62.344 62.300 -0.017 0.000 0.827 21 V CB 1.290 33.081 31.823 -0.054 0.000 1.018 21 V HN 0.318 nan 8.190 nan 0.000 0.432 22 T N 0.625 115.229 114.554 0.083 0.000 3.023 22 T HA 0.353 4.719 4.350 0.027 0.000 0.253 22 T C 0.258 175.014 174.700 0.094 0.000 1.038 22 T CA 0.097 62.255 62.100 0.096 0.000 0.962 22 T CB 0.262 69.139 68.868 0.015 0.000 1.018 22 T HN 0.700 nan 8.240 nan 0.000 0.521 23 Q N 0.260 120.161 119.800 0.167 0.000 2.721 23 Q HA 0.658 5.014 4.340 0.027 0.000 0.282 23 Q C -2.297 173.838 176.000 0.226 0.000 0.932 23 Q CA -1.045 54.852 55.803 0.157 0.000 0.816 23 Q CB 0.827 29.577 28.738 0.020 0.000 1.506 23 Q HN 0.221 nan 8.270 nan 0.000 0.399 24 L N 1.975 123.358 121.223 0.267 0.000 2.439 24 L HA 0.612 4.968 4.340 0.027 0.000 0.270 24 L C -0.616 176.380 176.870 0.210 0.000 0.972 24 L CA -0.918 54.078 54.840 0.259 0.000 0.836 24 L CB 1.905 44.219 42.059 0.425 0.000 1.255 24 L HN 0.858 nan 8.230 nan 0.000 0.404 25 N N 0.832 119.626 118.700 0.157 0.000 2.782 25 N HA -0.202 4.554 4.740 0.027 0.000 0.251 25 N C 0.144 175.747 175.510 0.154 0.000 1.101 25 N CA 0.808 53.942 53.050 0.141 0.000 0.764 25 N CB -0.808 37.723 38.487 0.074 0.000 1.122 25 N HN 0.671 nan 8.380 nan 0.000 0.561 26 R N 0.665 121.182 120.500 0.027 0.000 2.490 26 R HA 0.467 4.823 4.340 0.027 0.000 0.278 26 R C 0.487 176.664 176.300 -0.204 0.000 1.069 26 R CA -0.378 55.535 56.100 -0.310 0.000 1.080 26 R CB 0.598 30.712 30.300 -0.309 0.000 1.030 26 R HN 0.125 nan 8.270 nan 0.000 0.491 27 L N 2.546 123.614 121.223 -0.259 0.000 2.456 27 L HA 0.381 4.737 4.340 0.027 0.000 0.257 27 L C 0.585 177.414 176.870 -0.069 0.000 1.162 27 L CA -0.689 54.092 54.840 -0.098 0.000 0.808 27 L CB 1.043 43.071 42.059 -0.051 0.000 1.136 27 L HN 0.790 nan 8.230 nan 0.000 0.466 28 A N 1.099 123.919 122.820 -0.001 0.000 2.492 28 A HA 0.474 4.810 4.320 0.027 0.000 0.236 28 A C 0.239 177.836 177.584 0.022 0.000 1.078 28 A CA 0.149 52.192 52.037 0.010 0.000 0.773 28 A CB 0.097 19.128 19.000 0.051 0.000 1.023 28 A HN 0.782 nan 8.150 nan 0.000 0.504 29 A N 0.743 123.531 122.820 -0.053 0.000 2.287 29 A HA 0.734 5.070 4.320 0.027 0.000 0.273 29 A C 0.027 177.524 177.584 -0.146 0.000 1.091 29 A CA 0.400 52.327 52.037 -0.182 0.000 0.817 29 A CB 0.060 18.949 19.000 -0.186 0.000 1.069 29 A HN 1.987 nan 8.150 nan 0.000 0.492 30 H N -2.802 116.120 119.070 -0.246 0.000 2.935 30 H HA 0.592 5.164 4.556 0.027 0.000 0.297 30 H C -3.429 171.615 175.328 -0.473 0.000 1.423 30 H CA -1.670 54.167 56.048 -0.351 0.000 1.161 30 H CB -0.024 29.425 29.762 -0.521 0.000 1.841 30 H HN 0.382 nan 8.280 nan 0.000 0.506 31 P HA 0.206 nan 4.420 nan 0.000 0.273 31 P C -2.573 174.559 177.300 -0.280 0.000 1.250 31 P CA -1.335 61.559 63.100 -0.342 0.000 0.793 31 P CB -0.221 31.197 31.700 -0.470 0.000 1.011 32 P HA 0.025 nan 4.420 nan 0.000 0.260 32 P C -0.856 176.622 177.300 0.297 0.000 1.185 32 P CA 1.120 64.250 63.100 0.050 0.000 0.763 32 P CB -0.141 31.628 31.700 0.114 0.000 0.776 33 F N 1.774 121.830 119.950 0.178 0.000 2.598 33 F HA 0.662 5.206 4.527 0.027 0.000 0.327 33 F C 0.973 176.709 175.800 -0.106 0.000 1.057 33 F CA -1.456 56.596 58.000 0.086 0.000 0.957 33 F CB 1.279 40.288 39.000 0.016 0.000 1.278 33 F HN 0.293 nan 8.300 nan 0.000 0.484 34 A N -0.329 122.424 122.820 -0.111 0.000 2.664 34 A HA 0.333 4.669 4.320 0.027 0.000 0.222 34 A C 0.544 177.842 177.584 -0.476 0.000 1.320 34 A CA 0.629 52.371 52.037 -0.492 0.000 1.029 34 A CB -0.344 17.898 19.000 -1.264 0.000 1.318 34 A HN 0.873 nan 8.150 nan 0.000 0.589 35 S N 0.557 116.084 115.700 -0.288 0.000 3.524 35 S HA -0.146 4.340 4.470 0.027 0.000 0.377 35 S C 0.015 174.546 174.600 -0.115 0.000 0.949 35 S CA 0.425 58.515 58.200 -0.182 0.000 1.264 35 S CB -1.538 61.559 63.200 -0.171 0.000 0.918 35 S HN 0.465 nan 8.310 nan 0.000 0.517 36 W N 1.979 123.260 121.300 -0.032 0.000 2.148 36 W HA 0.215 4.890 4.660 0.026 0.000 0.347 36 W C 1.378 177.875 176.519 -0.036 0.000 1.288 36 W CA -0.475 56.856 57.345 -0.023 0.000 1.252 36 W CB 0.232 29.678 29.460 -0.023 0.000 1.156 36 W HN 0.361 nan 8.180 nan 0.000 0.580 37 R N 1.856 122.482 120.500 0.210 0.000 2.577 37 R HA 0.091 4.447 4.340 0.027 0.000 0.344 37 R C -0.095 176.259 176.300 0.092 0.000 1.037 37 R CA -0.119 56.044 56.100 0.105 0.000 1.102 37 R CB -0.160 30.168 30.300 0.047 0.000 1.313 37 R HN 0.369 nan 8.270 nan 0.000 0.561 38 N N 0.048 118.820 118.700 0.120 0.000 2.454 38 N HA 0.114 4.870 4.740 0.027 0.000 0.291 38 N C -0.190 175.296 175.510 -0.040 0.000 1.079 38 N CA -0.015 53.056 53.050 0.035 0.000 0.893 38 N CB 1.868 40.377 38.487 0.037 0.000 1.512 38 N HN -0.251 nan 8.380 nan 0.000 0.497 39 S N 2.278 117.932 115.700 -0.076 0.000 2.402 39 S HA -0.139 4.347 4.470 0.027 0.000 0.229 39 S C 1.406 175.845 174.600 -0.267 0.000 1.021 39 S CA 0.923 59.034 58.200 -0.148 0.000 0.974 39 S CB 0.016 63.160 63.200 -0.093 0.000 0.800 39 S HN 0.760 nan 8.310 nan 0.000 0.484 40 E N 1.924 121.986 120.200 -0.230 0.000 2.150 40 E HA -0.144 4.222 4.350 0.027 0.000 0.193 40 E C 1.715 178.096 176.600 -0.365 0.000 0.985 40 E CA 1.291 57.514 56.400 -0.295 0.000 0.814 40 E CB -0.212 29.369 29.700 -0.198 0.000 0.752 40 E HN 0.584 nan 8.360 nan 0.000 0.466 41 E N -0.104 119.885 120.200 -0.351 0.000 2.077 41 E HA -0.152 4.214 4.350 0.027 0.000 0.193 41 E C 2.038 178.043 176.600 -0.990 0.000 0.989 41 E CA 0.989 57.128 56.400 -0.436 0.000 0.800 41 E CB -0.215 29.371 29.700 -0.191 0.000 0.746 41 E HN 0.401 nan 8.360 nan 0.000 0.452 42 A N 1.548 123.595 122.820 -1.287 0.000 1.972 42 A HA -0.191 4.145 4.320 0.027 0.000 0.219 42 A C 2.097 179.093 177.584 -0.980 0.000 1.169 42 A CA 1.345 52.297 52.037 -1.810 0.000 0.635 42 A CB -0.417 17.995 19.000 -0.981 0.000 0.810 42 A HN 0.075 nan 8.150 nan 0.000 0.446 43 R N -0.115 119.982 120.500 -0.672 0.000 2.092 43 R HA -0.115 4.241 4.340 0.027 0.000 0.231 43 R C 1.708 177.742 176.300 -0.444 0.000 1.119 43 R CA 1.960 57.717 56.100 -0.573 0.000 0.970 43 R CB -0.338 29.489 30.300 -0.789 0.000 0.864 43 R HN 0.599 nan 8.270 nan 0.000 0.440 44 T N -2.742 111.567 114.554 -0.408 0.000 3.122 44 T HA 0.089 4.455 4.350 0.027 0.000 0.250 44 T C 0.095 174.705 174.700 -0.149 0.000 1.067 44 T CA 0.309 62.262 62.100 -0.245 0.000 0.966 44 T CB 0.179 68.931 68.868 -0.194 0.000 1.002 44 T HN 0.302 nan 8.240 nan 0.000 0.542 45 D N 1.001 121.275 120.400 -0.210 0.000 2.800 45 D HA -0.154 4.502 4.640 0.027 0.000 0.232 45 D C -0.048 176.376 176.300 0.207 0.000 1.137 45 D CA 0.380 54.414 54.000 0.057 0.000 0.718 45 D CB -1.249 39.625 40.800 0.124 0.000 1.084 45 D HN 0.588 nan 8.370 nan 0.000 0.432 46 R N 0.199 120.789 120.500 0.149 0.000 2.615 46 R HA 0.489 4.845 4.340 0.027 0.000 0.270 46 R C -2.071 174.485 176.300 0.427 0.000 1.081 46 R CA -1.296 54.936 56.100 0.221 0.000 1.154 46 R CB 0.311 30.675 30.300 0.107 0.000 1.063 46 R HN 0.063 nan 8.270 nan 0.000 0.519 47 P HA -0.061 nan 4.420 nan 0.000 0.267 47 P C -0.861 176.584 177.300 0.243 0.000 1.200 47 P CA 0.332 63.562 63.100 0.217 0.000 0.772 47 P CB 0.789 32.572 31.700 0.139 0.000 0.855 48 S N 1.567 117.301 115.700 0.057 0.000 2.451 48 S HA 0.117 4.603 4.470 0.027 0.000 0.301 48 S C 1.024 175.633 174.600 0.014 0.000 1.116 48 S CA -0.558 57.604 58.200 -0.063 0.000 1.093 48 S CB 0.446 63.300 63.200 -0.576 0.000 1.017 48 S HN 0.313 nan 8.310 nan 0.000 0.482 49 Q N 2.801 122.646 119.800 0.074 0.000 2.364 49 Q HA -0.101 4.255 4.340 0.027 0.000 0.207 49 Q C 0.870 176.974 176.000 0.172 0.000 0.970 49 Q CA 0.962 56.840 55.803 0.125 0.000 0.888 49 Q CB -0.089 28.729 28.738 0.134 0.000 0.951 49 Q HN 0.689 nan 8.270 nan 0.000 0.469 50 Q N 0.218 120.038 119.800 0.034 0.000 2.444 50 Q HA 0.083 4.439 4.340 0.027 0.000 0.206 50 Q C -0.223 175.817 176.000 0.068 0.000 0.948 50 Q CA 0.359 56.127 55.803 -0.058 0.000 0.946 50 Q CB 0.402 29.028 28.738 -0.186 0.000 1.027 50 Q HN 0.114 nan 8.270 nan 0.000 0.513 51 L N 0.714 121.986 121.223 0.082 0.000 2.353 51 L HA 0.418 4.774 4.340 0.027 0.000 0.270 51 L C -1.182 175.764 176.870 0.126 0.000 1.003 51 L CA -0.337 54.554 54.840 0.084 0.000 0.862 51 L CB 0.924 42.949 42.059 -0.057 0.000 1.221 51 L HN -0.138 nan 8.230 nan 0.000 0.430 52 R N 2.462 123.075 120.500 0.188 0.000 2.474 52 R HA 0.592 4.948 4.340 0.027 0.000 0.295 52 R C -0.446 175.872 176.300 0.030 0.000 0.980 52 R CA -0.688 55.471 56.100 0.097 0.000 0.934 52 R CB 1.936 32.255 30.300 0.031 0.000 1.101 52 R HN 0.631 nan 8.270 nan 0.000 0.469 53 S N 1.948 117.657 115.700 0.015 0.000 2.525 53 S HA 0.288 4.774 4.470 0.027 0.000 0.278 53 S C 0.604 175.197 174.600 -0.012 0.000 1.234 53 S CA -0.641 57.559 58.200 -0.000 0.000 1.058 53 S CB 0.557 63.769 63.200 0.021 0.000 0.983 53 S HN 0.559 nan 8.310 nan 0.000 0.495 54 L N 3.541 124.755 121.223 -0.015 0.000 2.769 54 L HA 0.290 4.646 4.340 0.027 0.000 0.240 54 L C 0.188 177.196 176.870 0.230 0.000 1.163 54 L CA -0.311 54.540 54.840 0.018 0.000 0.962 54 L CB -0.196 41.815 42.059 -0.079 0.000 1.258 54 L HN 0.522 nan 8.230 nan 0.000 0.513 55 N N 1.108 119.891 118.700 0.139 0.000 2.453 55 N HA 0.438 5.194 4.740 0.027 0.000 0.253 55 N C 0.678 176.318 175.510 0.217 0.000 1.252 55 N CA 1.093 54.240 53.050 0.161 0.000 0.917 55 N CB 1.162 39.678 38.487 0.049 0.000 1.117 55 N HN 0.292 nan 8.380 nan 0.000 0.442 56 G N 0.382 109.326 108.800 0.240 0.000 2.240 56 G HA2 -0.093 3.883 3.960 0.027 0.000 0.199 56 G HA3 -0.093 3.883 3.960 0.027 0.000 0.199 56 G C -1.532 173.573 174.900 0.342 0.000 1.342 56 G CA -0.775 44.457 45.100 0.220 0.000 1.145 56 G HN 0.482 nan 8.290 nan 0.000 0.477 57 E N 0.091 120.462 120.200 0.286 0.000 2.194 57 E HA 0.488 4.854 4.350 0.027 0.000 0.284 57 E C -0.944 175.900 176.600 0.407 0.000 1.035 57 E CA -0.236 56.352 56.400 0.314 0.000 0.836 57 E CB 1.102 30.907 29.700 0.174 0.000 1.070 57 E HN 0.368 nan 8.360 nan 0.000 0.401 58 W N 1.599 122.991 121.300 0.153 0.000 2.804 58 W HA 0.417 5.093 4.660 0.027 0.000 0.352 58 W C 0.116 176.768 176.519 0.222 0.000 1.153 58 W CA -0.755 56.713 57.345 0.205 0.000 1.119 58 W CB 0.783 30.424 29.460 0.302 0.000 1.448 58 W HN 0.180 nan 8.180 nan 0.000 0.600 59 R N 1.501 122.293 120.500 0.487 0.000 2.407 59 R HA 0.579 4.935 4.340 0.027 0.000 0.303 59 R C -1.547 175.008 176.300 0.425 0.000 0.981 59 R CA -0.864 55.454 56.100 0.365 0.000 0.905 59 R CB 1.267 31.724 30.300 0.261 0.000 1.099 59 R HN 0.470 nan 8.270 nan 0.000 0.459 60 F N 0.653 120.644 119.950 0.068 0.000 2.596 60 F HA 0.619 5.162 4.527 0.027 0.000 0.311 60 F C -1.565 174.056 175.800 -0.298 0.000 1.116 60 F CA -0.574 57.312 58.000 -0.190 0.000 0.957 60 F CB 1.921 40.719 39.000 -0.337 0.000 1.250 60 F HN 0.625 nan 8.300 nan 0.000 0.444 61 A N 4.525 126.548 122.820 -1.328 0.000 2.449 61 A HA 0.624 4.960 4.320 0.027 0.000 0.302 61 A C -2.395 174.183 177.584 -1.676 0.000 1.048 61 A CA -0.572 50.769 52.037 -1.160 0.000 0.708 61 A CB 0.880 19.449 19.000 -0.719 0.000 1.274 61 A HN 0.944 nan 8.150 nan 0.000 0.410 62 W N 2.293 122.683 121.300 -1.515 0.000 2.520 62 W HA 0.748 5.424 4.660 0.027 0.000 0.323 62 W C -1.832 174.003 176.519 -1.141 0.000 1.062 62 W CA -0.334 56.282 57.345 -1.217 0.000 1.215 62 W CB 1.119 30.155 29.460 -0.706 0.000 1.340 62 W HN 0.498 nan 8.180 nan 0.000 0.516 63 F N 5.752 125.011 119.950 -1.152 0.000 2.603 63 F HA 0.403 4.946 4.527 0.027 0.000 0.317 63 F C -1.323 173.594 175.800 -1.471 0.000 1.066 63 F CA -2.240 55.210 58.000 -0.917 0.000 0.941 63 F CB 1.926 40.535 39.000 -0.651 0.000 1.291 63 F HN 0.195 nan 8.300 nan 0.000 0.472 64 P HA 0.181 nan 4.420 nan 0.000 0.240 64 P C -0.474 176.682 177.300 -0.240 0.000 1.190 64 P CA 0.721 63.532 63.100 -0.483 0.000 0.781 64 P CB 0.889 32.597 31.700 0.015 0.000 0.931 65 A N -0.114 122.579 122.820 -0.212 0.000 2.608 65 A HA 0.523 4.859 4.320 0.027 0.000 0.292 65 A C -2.436 175.037 177.584 -0.185 0.000 1.066 65 A CA -1.022 50.938 52.037 -0.128 0.000 0.676 65 A CB 0.535 19.524 19.000 -0.017 0.000 1.277 65 A HN -0.300 nan 8.150 nan 0.000 0.413 66 P HA -0.119 nan 4.420 nan 0.000 0.218 66 P C 0.729 177.933 177.300 -0.161 0.000 1.149 66 P CA 1.474 64.442 63.100 -0.220 0.000 0.817 66 P CB 0.251 31.781 31.700 -0.282 0.000 0.785 67 E N 0.043 120.203 120.200 -0.067 0.000 2.333 67 E HA -0.062 4.304 4.350 0.027 0.000 0.198 67 E C 1.977 178.497 176.600 -0.134 0.000 1.007 67 E CA 1.214 57.582 56.400 -0.053 0.000 0.845 67 E CB -0.862 28.841 29.700 0.005 0.000 0.766 67 E HN 0.253 nan 8.360 nan 0.000 0.507 68 A N 0.199 122.898 122.820 -0.202 0.000 2.275 68 A HA 0.125 4.461 4.320 0.027 0.000 0.212 68 A C 0.640 177.867 177.584 -0.596 0.000 1.201 68 A CA -0.188 51.700 52.037 -0.247 0.000 0.843 68 A CB 0.334 19.273 19.000 -0.103 0.000 0.873 68 A HN 0.030 nan 8.150 nan 0.000 0.492 69 V N 2.581 122.057 119.914 -0.730 0.000 2.555 69 V HA 0.198 4.335 4.120 0.027 0.000 0.286 69 V C -2.214 173.499 176.094 -0.636 0.000 1.044 69 V CA -1.313 60.303 62.300 -1.140 0.000 1.026 69 V CB 0.684 31.956 31.823 -0.919 0.000 0.981 69 V HN 0.290 nan 8.190 nan 0.000 0.480 70 P HA 0.256 nan 4.420 nan 0.000 0.276 70 P C 0.506 177.733 177.300 -0.121 0.000 1.230 70 P CA -0.343 62.617 63.100 -0.235 0.000 0.776 70 P CB 0.985 32.612 31.700 -0.121 0.000 0.888 71 E N 1.301 121.448 120.200 -0.088 0.000 2.160 71 E HA -0.210 4.156 4.350 0.027 0.000 0.195 71 E C 1.880 178.456 176.600 -0.039 0.000 0.991 71 E CA 1.939 58.300 56.400 -0.066 0.000 0.810 71 E CB -0.353 29.313 29.700 -0.057 0.000 0.742 71 E HN 0.554 nan 8.360 nan 0.000 0.466 72 S N -0.396 115.296 115.700 -0.012 0.000 2.402 72 S HA -0.245 4.241 4.470 0.027 0.000 0.233 72 S C 1.833 176.453 174.600 0.033 0.000 1.030 72 S CA 1.103 59.305 58.200 0.005 0.000 1.003 72 S CB -0.780 62.433 63.200 0.022 0.000 0.813 72 S HN 0.598 nan 8.310 nan 0.000 0.477 73 W N 2.217 123.423 121.300 -0.157 0.000 2.392 73 W HA 0.080 4.756 4.660 0.027 0.000 0.279 73 W C 1.677 178.084 176.519 -0.187 0.000 1.225 73 W CA 0.867 58.121 57.345 -0.150 0.000 1.233 73 W CB -0.336 29.015 29.460 -0.182 0.000 1.122 73 W HN 0.278 nan 8.180 nan 0.000 0.561 74 L N 0.300 121.310 121.223 -0.354 0.000 2.131 74 L HA -0.169 4.187 4.340 0.027 0.000 0.210 74 L C 2.120 178.743 176.870 -0.412 0.000 1.092 74 L CA 1.633 56.092 54.840 -0.636 0.000 0.759 74 L CB -0.637 41.083 42.059 -0.566 0.000 0.903 74 L HN -0.057 nan 8.230 nan 0.000 0.435 75 E N -1.864 118.189 120.200 -0.245 0.000 2.389 75 E HA 0.060 4.426 4.350 0.027 0.000 0.199 75 E C -0.197 176.327 176.600 -0.127 0.000 0.978 75 E CA 0.073 56.383 56.400 -0.151 0.000 0.912 75 E CB 0.685 30.332 29.700 -0.088 0.000 0.907 75 E HN 0.277 nan 8.360 nan 0.000 0.494 76 C N 0.230 119.456 119.300 -0.123 0.000 2.888 76 C HA 0.392 4.868 4.460 0.027 0.000 0.308 76 C C -0.956 174.014 174.990 -0.033 0.000 1.213 76 C CA -1.202 57.776 59.018 -0.067 0.000 1.461 76 C CB 0.971 28.695 27.740 -0.026 0.000 1.934 76 C HN 0.309 nan 8.230 nan 0.000 0.474 77 D N 2.373 122.771 120.400 -0.003 0.000 2.525 77 D HA 0.199 4.855 4.640 0.027 0.000 0.235 77 D C -0.300 176.072 176.300 0.120 0.000 1.137 77 D CA 0.567 54.609 54.000 0.071 0.000 0.868 77 D CB 0.594 41.429 40.800 0.058 0.000 1.180 77 D HN 0.518 nan 8.370 nan 0.000 0.465 78 L N 5.818 127.163 121.223 0.204 0.000 2.360 78 L HA 0.224 4.580 4.340 0.027 0.000 0.276 78 L C -1.274 175.657 176.870 0.102 0.000 1.121 78 L CA -1.443 53.494 54.840 0.162 0.000 0.845 78 L CB 1.097 43.260 42.059 0.174 0.000 1.143 78 L HN 0.514 nan 8.230 nan 0.000 0.452 79 P HA -0.151 nan 4.420 nan 0.000 0.220 79 P C 0.621 177.950 177.300 0.048 0.000 1.148 79 P CA 0.993 64.125 63.100 0.055 0.000 0.803 79 P CB 0.230 31.955 31.700 0.042 0.000 0.782 80 E N -0.460 119.766 120.200 0.042 0.000 2.482 80 E HA 0.171 4.538 4.350 0.027 0.000 0.196 80 E C 1.002 177.610 176.600 0.014 0.000 1.047 80 E CA 0.050 56.463 56.400 0.022 0.000 0.869 80 E CB -0.749 28.952 29.700 0.002 0.000 0.836 80 E HN 0.178 nan 8.360 nan 0.000 0.520 81 A N 1.158 123.996 122.820 0.029 0.000 2.366 81 A HA 0.160 4.497 4.320 0.027 0.000 0.250 81 A C 0.027 177.658 177.584 0.078 0.000 1.099 81 A CA -0.198 51.852 52.037 0.023 0.000 0.794 81 A CB 0.300 19.341 19.000 0.069 0.000 1.056 81 A HN -0.023 nan 8.150 nan 0.000 0.499 82 D N -0.672 119.806 120.400 0.130 0.000 2.392 82 D HA 0.512 5.169 4.640 0.027 0.000 0.246 82 D C -0.622 175.792 176.300 0.191 0.000 1.013 82 D CA -0.018 54.082 54.000 0.167 0.000 0.993 82 D CB 1.314 42.263 40.800 0.248 0.000 1.219 82 D HN 0.393 nan 8.370 nan 0.000 0.538 83 T N 0.512 115.161 114.554 0.157 0.000 2.767 83 T HA 0.512 4.879 4.350 0.027 0.000 0.288 83 T C 0.118 174.911 174.700 0.155 0.000 0.963 83 T CA -0.528 61.672 62.100 0.168 0.000 1.019 83 T CB 0.629 69.570 68.868 0.121 0.000 0.923 83 T HN 0.267 nan 8.240 nan 0.000 0.468 84 V N 1.164 121.202 119.914 0.206 0.000 3.130 84 V HA 0.794 4.930 4.120 0.027 0.000 0.310 84 V C -0.308 175.904 176.094 0.197 0.000 1.158 84 V CA -1.077 61.299 62.300 0.126 0.000 1.029 84 V CB 1.606 33.531 31.823 0.169 0.000 1.057 84 V HN 0.519 nan 8.190 nan 0.000 0.436 85 V N 1.737 121.743 119.914 0.153 0.000 2.732 85 V HA 0.555 4.691 4.120 0.027 0.000 0.297 85 V C 0.020 176.204 176.094 0.150 0.000 1.060 85 V CA -0.112 62.283 62.300 0.158 0.000 1.038 85 V CB 1.505 33.384 31.823 0.094 0.000 1.003 85 V HN 0.766 nan 8.190 nan 0.000 0.481 86 V N 6.105 126.022 119.914 0.005 0.000 2.656 86 V HA 0.456 4.592 4.120 0.027 0.000 0.307 86 V C -2.317 173.666 176.094 -0.184 0.000 1.051 86 V CA -1.678 60.477 62.300 -0.242 0.000 0.893 86 V CB 2.512 33.804 31.823 -0.886 0.000 0.999 86 V HN 0.774 nan 8.190 nan 0.000 0.426 87 P HA 0.418 nan 4.420 nan 0.000 0.274 87 P C -0.837 176.395 177.300 -0.114 0.000 1.231 87 P CA -0.080 62.900 63.100 -0.200 0.000 0.790 87 P CB 1.322 32.915 31.700 -0.177 0.000 0.951 88 S N 0.382 116.024 115.700 -0.098 0.000 2.595 88 S HA 0.407 4.893 4.470 0.027 0.000 0.270 88 S C -1.207 173.316 174.600 -0.128 0.000 1.145 88 S CA -1.041 57.080 58.200 -0.132 0.000 0.825 88 S CB 0.494 63.550 63.200 -0.241 0.000 1.107 88 S HN 0.357 nan 8.310 nan 0.000 0.461 89 N N 0.978 119.545 118.700 -0.222 0.000 2.419 89 N HA 0.423 5.179 4.740 0.027 0.000 0.277 89 N C 0.575 175.914 175.510 -0.286 0.000 1.006 89 N CA -0.846 52.053 53.050 -0.252 0.000 0.923 89 N CB 0.672 38.978 38.487 -0.301 0.000 1.140 89 N HN 0.871 nan 8.380 nan 0.000 0.488 90 W N 2.490 123.652 121.300 -0.229 0.000 2.387 90 W HA -0.107 4.570 4.660 0.027 0.000 0.272 90 W C 1.004 177.493 176.519 -0.051 0.000 1.224 90 W CA 0.727 57.942 57.345 -0.217 0.000 1.210 90 W CB -0.384 28.964 29.460 -0.186 0.000 1.125 90 W HN 0.514 nan 8.180 nan 0.000 0.572 91 Q N 0.462 120.242 119.800 -0.033 0.000 2.124 91 Q HA -0.139 4.217 4.340 0.027 0.000 0.202 91 Q C 2.190 178.134 176.000 -0.093 0.000 0.977 91 Q CA 1.934 57.709 55.803 -0.046 0.000 0.850 91 Q CB -0.633 27.965 28.738 -0.233 0.000 0.901 91 Q HN 0.248 nan 8.270 nan 0.000 0.429 92 M N -0.706 118.799 119.600 -0.159 0.000 2.549 92 M HA -0.073 4.423 4.480 0.027 0.000 0.260 92 M C 0.727 177.079 176.300 0.085 0.000 1.076 92 M CA 1.439 56.673 55.300 -0.109 0.000 1.090 92 M CB -0.626 31.890 32.600 -0.140 0.000 1.418 92 M HN 0.392 nan 8.290 nan 0.000 0.486 93 H N -1.212 117.860 119.070 0.003 0.000 2.586 93 H HA 0.286 4.859 4.556 0.027 0.000 0.273 93 H C 1.298 176.486 175.328 -0.234 0.000 0.997 93 H CA 0.144 56.161 56.048 -0.052 0.000 1.177 93 H CB 0.509 30.323 29.762 0.088 0.000 1.471 93 H HN 0.538 nan 8.280 nan 0.000 0.538 94 G N 0.574 109.355 108.800 -0.032 0.000 2.157 94 G HA2 -0.352 3.624 3.960 0.027 0.000 0.248 94 G HA3 -0.352 3.624 3.960 0.027 0.000 0.248 94 G C 0.360 175.121 174.900 -0.232 0.000 0.979 94 G CA 0.277 45.293 45.100 -0.140 0.000 0.650 94 G HN 0.440 nan 8.290 nan 0.000 0.529 95 Y N 1.636 121.930 120.300 -0.010 0.000 2.314 95 Y HA 0.263 4.829 4.550 0.027 0.000 0.293 95 Y C 1.677 177.308 175.900 -0.449 0.000 1.129 95 Y CA 1.586 59.554 58.100 -0.220 0.000 1.201 95 Y CB 0.210 38.611 38.460 -0.098 0.000 0.999 95 Y HN 0.643 nan 8.280 nan 0.000 0.541 96 D N -1.843 118.600 120.400 0.072 0.000 2.677 96 D HA 0.499 5.155 4.640 0.027 0.000 0.298 96 D C -1.180 175.197 176.300 0.128 0.000 1.250 96 D CA -0.896 53.142 54.000 0.064 0.000 0.888 96 D CB 0.824 41.773 40.800 0.249 0.000 1.397 96 D HN -0.064 nan 8.370 nan 0.000 0.461 97 A N 0.096 123.005 122.820 0.148 0.000 2.310 97 A HA 0.702 5.038 4.320 0.027 0.000 0.299 97 A C -2.315 175.310 177.584 0.068 0.000 1.147 97 A CA -1.173 50.938 52.037 0.122 0.000 0.818 97 A CB 0.180 19.316 19.000 0.226 0.000 1.096 97 A HN 0.551 nan 8.150 nan 0.000 0.495 98 P HA 0.450 nan 4.420 nan 0.000 0.276 98 P C -0.901 176.572 177.300 0.288 0.000 1.244 98 P CA 0.003 63.066 63.100 -0.061 0.000 0.801 98 P CB 0.870 32.298 31.700 -0.452 0.000 1.006 99 I N 1.820 122.650 120.570 0.434 0.000 2.436 99 I HA 0.240 4.426 4.170 0.027 0.000 0.289 99 I C -0.704 175.559 176.117 0.242 0.000 1.010 99 I CA -0.981 60.546 61.300 0.378 0.000 1.098 99 I CB 1.818 39.985 38.000 0.279 0.000 1.266 99 I HN 0.294 nan 8.210 nan 0.000 0.434 100 Y N 6.271 126.449 120.300 -0.202 0.000 2.491 100 Y HA 0.519 5.085 4.550 0.026 0.000 0.334 100 Y C -0.374 175.349 175.900 -0.295 0.000 0.969 100 Y CA -0.599 57.105 58.100 -0.660 0.000 1.241 100 Y CB 1.137 38.771 38.460 -1.376 0.000 1.105 100 Y HN 0.517 nan 8.280 nan 0.000 0.503 101 T N 5.448 119.510 114.554 -0.820 0.000 2.861 101 T HA 0.258 4.624 4.350 0.027 0.000 0.287 101 T C 0.253 174.480 174.700 -0.789 0.000 1.003 101 T CA -0.599 61.043 62.100 -0.762 0.000 0.977 101 T CB 1.023 69.679 68.868 -0.354 0.000 0.996 101 T HN 0.766 nan 8.240 nan 0.000 0.448 102 N N 3.000 121.257 118.700 -0.738 0.000 2.202 102 N HA 0.023 4.779 4.740 0.027 0.000 0.191 102 N C 1.578 176.826 175.510 -0.437 0.000 1.054 102 N CA 1.589 54.353 53.050 -0.477 0.000 0.877 102 N CB -0.604 37.615 38.487 -0.445 0.000 1.057 102 N HN 0.407 nan 8.380 nan 0.000 0.456 103 V N 0.257 119.850 119.914 -0.536 0.000 2.492 103 V HA 0.106 4.242 4.120 0.027 0.000 0.241 103 V C 0.468 176.264 176.094 -0.498 0.000 1.041 103 V CA 0.806 62.725 62.300 -0.636 0.000 1.057 103 V CB -0.582 30.764 31.823 -0.795 0.000 0.711 103 V HN 0.310 nan 8.190 nan 0.000 0.468 104 T N 0.892 115.215 114.554 -0.385 0.000 2.902 104 T HA 0.157 4.524 4.350 0.027 0.000 0.301 104 T C -0.369 174.202 174.700 -0.214 0.000 1.012 104 T CA 0.230 62.178 62.100 -0.253 0.000 1.151 104 T CB -0.102 68.648 68.868 -0.198 0.000 0.946 104 T HN 0.170 nan 8.240 nan 0.000 0.542 105 Y N 4.633 124.842 120.300 -0.152 0.000 2.578 105 Y HA 0.130 4.696 4.550 0.026 0.000 0.339 105 Y C -0.781 175.002 175.900 -0.195 0.000 1.231 105 Y CA -1.601 56.403 58.100 -0.160 0.000 1.461 105 Y CB 0.426 38.792 38.460 -0.157 0.000 1.323 105 Y HN 0.512 nan 8.280 nan 0.000 0.590 106 P HA 0.001 nan 4.420 nan 0.000 0.245 106 P C -0.355 176.733 177.300 -0.355 0.000 1.212 106 P CA 1.084 64.090 63.100 -0.156 0.000 0.774 106 P CB 0.051 31.705 31.700 -0.076 0.000 0.999 107 I N -5.306 115.034 120.570 -0.384 0.000 2.934 107 I HA 0.478 4.664 4.170 0.027 0.000 0.306 107 I C -0.611 175.371 176.117 -0.225 0.000 1.110 107 I CA -1.232 59.798 61.300 -0.449 0.000 1.019 107 I CB 1.837 39.395 38.000 -0.738 0.000 1.227 107 I HN -0.460 nan 8.210 nan 0.000 0.434 108 T N 2.780 117.244 114.554 -0.150 0.000 2.934 108 T HA 0.111 4.477 4.350 0.027 0.000 0.306 108 T C 0.239 174.921 174.700 -0.030 0.000 1.042 108 T CA -0.162 61.903 62.100 -0.060 0.000 1.145 108 T CB 0.571 69.427 68.868 -0.020 0.000 0.982 108 T HN 0.383 nan 8.240 nan 0.000 0.544 109 V N 4.848 124.760 119.914 -0.004 0.000 2.352 109 V HA 0.222 4.359 4.120 0.027 0.000 0.253 109 V C 0.699 176.831 176.094 0.063 0.000 1.083 109 V CA -0.132 62.180 62.300 0.020 0.000 0.993 109 V CB -0.222 31.602 31.823 0.002 0.000 1.111 109 V HN 0.843 nan 8.190 nan 0.000 0.490 110 N N 5.850 124.643 118.700 0.156 0.000 2.666 110 N HA 0.261 5.017 4.740 0.027 0.000 0.253 110 N C -2.962 172.635 175.510 0.145 0.000 1.621 110 N CA -1.329 51.812 53.050 0.152 0.000 0.785 110 N CB 1.395 40.017 38.487 0.225 0.000 1.332 110 N HN 0.244 nan 8.380 nan 0.000 0.514 111 P HA 0.123 nan 4.420 nan 0.000 0.265 111 P C -2.208 174.884 177.300 -0.347 0.000 1.187 111 P CA -0.602 62.108 63.100 -0.650 0.000 0.766 111 P CB 0.392 31.621 31.700 -0.785 0.000 0.820 112 P HA 0.208 nan 4.420 nan 0.000 0.263 112 P C -0.395 176.811 177.300 -0.156 0.000 1.448 112 P CA -0.209 62.701 63.100 -0.318 0.000 0.983 112 P CB 0.121 31.596 31.700 -0.375 0.000 1.481 113 F N 1.317 121.381 119.950 0.189 0.000 2.406 113 F HA 0.272 4.815 4.527 0.027 0.000 0.327 113 F C 1.383 177.355 175.800 0.287 0.000 1.153 113 F CA -0.572 57.549 58.000 0.201 0.000 1.218 113 F CB 0.571 39.638 39.000 0.111 0.000 1.215 113 F HN -0.201 nan 8.300 nan 0.000 0.570 114 V N -0.829 119.367 119.914 0.470 0.000 3.126 114 V HA 0.740 4.876 4.120 0.027 0.000 0.314 114 V C -2.816 173.437 176.094 0.264 0.000 1.138 114 V CA -2.796 59.695 62.300 0.318 0.000 1.034 114 V CB 1.486 33.540 31.823 0.385 0.000 1.075 114 V HN 0.501 nan 8.190 nan 0.000 0.442 115 P HA 0.248 nan 4.420 nan 0.000 0.269 115 P C 1.018 178.449 177.300 0.218 0.000 1.215 115 P CA 0.446 63.634 63.100 0.146 0.000 0.780 115 P CB 0.614 32.365 31.700 0.084 0.000 0.898 116 T N -2.107 112.546 114.554 0.164 0.000 2.867 116 T HA -0.085 4.281 4.350 0.027 0.000 0.268 116 T C 0.501 175.303 174.700 0.169 0.000 1.057 116 T CA 0.874 63.077 62.100 0.171 0.000 1.136 116 T CB -0.575 68.361 68.868 0.114 0.000 0.874 116 T HN 0.380 nan 8.240 nan 0.000 0.466 117 E N 2.604 122.904 120.200 0.167 0.000 1.941 117 E HA 0.276 4.642 4.350 0.027 0.000 0.275 117 E C -0.757 175.990 176.600 0.244 0.000 1.113 117 E CA -0.406 56.097 56.400 0.172 0.000 0.878 117 E CB 0.183 29.993 29.700 0.184 0.000 1.070 117 E HN 0.262 nan 8.360 nan 0.000 0.399 118 N N 4.479 123.298 118.700 0.199 0.000 2.573 118 N HA 0.239 4.996 4.740 0.027 0.000 0.262 118 N C -2.848 172.695 175.510 0.056 0.000 1.029 118 N CA -2.575 50.638 53.050 0.271 0.000 0.882 118 N CB 1.111 39.747 38.487 0.248 0.000 1.204 118 N HN 0.036 nan 8.380 nan 0.000 0.519 119 P HA 0.012 nan 4.420 nan 0.000 0.258 119 P C -0.842 176.361 177.300 -0.162 0.000 1.172 119 P CA 0.513 63.551 63.100 -0.104 0.000 0.762 119 P CB 0.334 32.302 31.700 0.446 0.000 0.764 120 T N 3.071 117.261 114.554 -0.607 0.000 2.809 120 T HA 0.554 4.920 4.350 0.027 0.000 0.284 120 T C 0.297 174.487 174.700 -0.850 0.000 0.992 120 T CA -0.541 61.269 62.100 -0.483 0.000 0.957 120 T CB 1.421 70.046 68.868 -0.406 0.000 0.942 120 T HN 0.331 nan 8.240 nan 0.000 0.439 121 G N 1.181 109.539 108.800 -0.737 0.000 2.370 121 G HA2 0.475 4.451 3.960 0.027 0.000 0.317 121 G HA3 0.475 4.451 3.960 0.027 0.000 0.317 121 G C -0.274 174.340 174.900 -0.477 0.000 1.162 121 G CA -0.358 44.148 45.100 -0.991 0.000 0.922 121 G HN 0.854 nan 8.290 nan 0.000 0.454 122 C N 3.180 121.980 119.300 -0.834 0.000 2.225 122 C HA 0.478 4.954 4.460 0.027 0.000 0.328 122 C C -0.504 174.419 174.990 -0.111 0.000 1.187 122 C CA -0.801 57.892 59.018 -0.543 0.000 1.665 122 C CB -1.741 25.303 27.740 -1.160 0.000 2.253 122 C HN 0.632 nan 8.230 nan 0.000 0.497 123 Y N 1.975 122.540 120.300 0.442 0.000 2.420 123 Y HA 0.650 5.216 4.550 0.027 0.000 0.334 123 Y C 0.770 177.113 175.900 0.739 0.000 1.094 123 Y CA -0.089 58.381 58.100 0.616 0.000 1.126 123 Y CB 1.645 40.466 38.460 0.602 0.000 1.217 123 Y HN 0.684 nan 8.280 nan 0.000 0.462 124 S N 2.119 118.297 115.700 0.797 0.000 2.607 124 S HA 0.830 5.316 4.470 0.027 0.000 0.273 124 S C -1.983 172.692 174.600 0.125 0.000 1.148 124 S CA -0.821 57.627 58.200 0.413 0.000 0.833 124 S CB 2.254 65.575 63.200 0.201 0.000 1.130 124 S HN 0.592 nan 8.310 nan 0.000 0.470 125 L N 0.603 121.716 121.223 -0.183 0.000 2.513 125 L HA 0.724 5.080 4.340 0.027 0.000 0.261 125 L C -1.158 175.655 176.870 -0.094 0.000 0.945 125 L CA 0.142 54.726 54.840 -0.428 0.000 0.848 125 L CB 2.256 43.566 42.059 -1.249 0.000 1.334 125 L HN 0.921 nan 8.230 nan 0.000 0.407 126 T N 5.253 119.782 114.554 -0.041 0.000 2.771 126 T HA 0.787 5.153 4.350 0.027 0.000 0.281 126 T C -1.003 173.734 174.700 0.062 0.000 0.982 126 T CA 0.002 62.104 62.100 0.004 0.000 0.978 126 T CB 0.428 69.269 68.868 -0.044 0.000 0.930 126 T HN 0.447 nan 8.240 nan 0.000 0.447 127 F N 0.941 120.793 119.950 -0.163 0.000 2.662 127 F HA 0.716 5.259 4.527 0.027 0.000 0.312 127 F C -0.887 174.831 175.800 -0.136 0.000 1.113 127 F CA -1.759 56.144 58.000 -0.162 0.000 0.951 127 F CB 1.015 39.894 39.000 -0.201 0.000 1.344 127 F HN 0.386 nan 8.300 nan 0.000 0.462 128 N N 0.343 118.964 118.700 -0.133 0.000 2.509 128 N HA 0.655 5.411 4.740 0.027 0.000 0.287 128 N C -1.921 173.455 175.510 -0.224 0.000 1.121 128 N CA -0.376 52.535 53.050 -0.231 0.000 0.977 128 N CB 1.777 40.184 38.487 -0.133 0.000 1.167 128 N HN 0.645 nan 8.380 nan 0.000 0.476 129 V N 2.130 121.884 119.914 -0.267 0.000 2.577 129 V HA 0.239 4.375 4.120 0.027 0.000 0.303 129 V C -0.597 175.384 176.094 -0.187 0.000 1.042 129 V CA -0.887 61.268 62.300 -0.242 0.000 0.872 129 V CB 1.464 33.197 31.823 -0.150 0.000 0.998 129 V HN 0.813 nan 8.190 nan 0.000 0.423 130 D N 2.410 122.672 120.400 -0.230 0.000 2.341 130 D HA 0.162 4.818 4.640 0.027 0.000 0.245 130 D C 1.103 177.418 176.300 0.025 0.000 1.106 130 D CA -0.060 53.886 54.000 -0.089 0.000 0.905 130 D CB 1.493 42.254 40.800 -0.065 0.000 1.202 130 D HN 0.654 nan 8.370 nan 0.000 0.426 131 E N 1.379 121.602 120.200 0.038 0.000 2.209 131 E HA -0.206 4.160 4.350 0.027 0.000 0.196 131 E C 1.652 178.323 176.600 0.118 0.000 0.993 131 E CA 1.695 58.136 56.400 0.068 0.000 0.819 131 E CB -0.280 29.445 29.700 0.041 0.000 0.745 131 E HN 0.450 nan 8.360 nan 0.000 0.477 132 S N -1.200 114.583 115.700 0.137 0.000 2.419 132 S HA -0.154 4.332 4.470 0.027 0.000 0.233 132 S C 1.703 176.392 174.600 0.148 0.000 1.016 132 S CA 0.896 59.174 58.200 0.130 0.000 0.974 132 S CB -0.758 62.514 63.200 0.122 0.000 0.786 132 S HN 0.395 nan 8.310 nan 0.000 0.492 133 W N 1.501 122.753 121.300 -0.080 0.000 2.584 133 W HA 0.415 5.091 4.660 0.027 0.000 0.264 133 W C 1.775 178.374 176.519 0.134 0.000 1.264 133 W CA -0.109 57.188 57.345 -0.081 0.000 1.306 133 W CB -0.273 29.203 29.460 0.027 0.000 1.110 133 W HN 0.302 nan 8.180 nan 0.000 0.606 134 L N -0.991 120.410 121.223 0.297 0.000 2.556 134 L HA 0.117 4.473 4.340 0.027 0.000 0.226 134 L C 2.032 178.990 176.870 0.146 0.000 1.089 134 L CA 0.293 55.263 54.840 0.217 0.000 0.864 134 L CB -0.513 41.644 42.059 0.162 0.000 1.067 134 L HN -0.145 nan 8.230 nan 0.000 0.477 135 Q N 0.311 120.185 119.800 0.124 0.000 2.230 135 Q HA 0.019 4.375 4.340 0.027 0.000 0.202 135 Q C -0.006 176.045 176.000 0.086 0.000 0.963 135 Q CA 0.979 56.832 55.803 0.084 0.000 0.866 135 Q CB 0.609 29.384 28.738 0.063 0.000 0.931 135 Q HN 0.266 nan 8.270 nan 0.000 0.452 136 E N -1.827 118.446 120.200 0.121 0.000 2.392 136 E HA 0.505 4.871 4.350 0.027 0.000 0.279 136 E C -0.480 176.223 176.600 0.173 0.000 0.964 136 E CA 0.146 56.613 56.400 0.111 0.000 0.777 136 E CB 1.736 31.493 29.700 0.095 0.000 1.249 136 E HN 0.222 nan 8.360 nan 0.000 0.449 137 G N 1.456 110.293 108.800 0.061 0.000 2.728 137 G HA2 -0.199 3.777 3.960 0.027 0.000 0.294 137 G HA3 -0.199 3.777 3.960 0.027 0.000 0.294 137 G C -0.763 174.052 174.900 -0.140 0.000 1.342 137 G CA -0.152 44.894 45.100 -0.090 0.000 0.866 137 G HN 0.520 nan 8.290 nan 0.000 0.534 138 Q N -0.636 118.934 119.800 -0.384 0.000 2.356 138 Q HA 0.676 5.032 4.340 0.027 0.000 0.270 138 Q C -0.998 174.870 176.000 -0.220 0.000 1.058 138 Q CA -0.544 55.144 55.803 -0.191 0.000 0.802 138 Q CB 1.755 30.408 28.738 -0.142 0.000 1.303 138 Q HN 0.639 nan 8.270 nan 0.000 0.444 139 T N 4.821 119.408 114.554 0.055 0.000 2.788 139 T HA 0.453 4.819 4.350 0.027 0.000 0.296 139 T C -0.633 174.186 174.700 0.200 0.000 1.009 139 T CA -0.648 61.585 62.100 0.222 0.000 0.949 139 T CB 0.458 69.592 68.868 0.443 0.000 0.946 139 T HN 0.633 nan 8.240 nan 0.000 0.453 140 R N 2.901 123.504 120.500 0.172 0.000 2.832 140 R HA 0.782 5.138 4.340 0.027 0.000 0.271 140 R C -0.999 175.394 176.300 0.154 0.000 0.996 140 R CA -0.973 55.222 56.100 0.157 0.000 0.977 140 R CB 1.465 31.832 30.300 0.111 0.000 1.168 140 R HN 0.548 nan 8.270 nan 0.000 0.482 141 I N 2.412 123.072 120.570 0.151 0.000 2.460 141 I HA 0.431 4.617 4.170 0.027 0.000 0.298 141 I C -1.028 175.119 176.117 0.050 0.000 0.989 141 I CA -1.214 60.120 61.300 0.057 0.000 1.173 141 I CB 1.295 39.323 38.000 0.047 0.000 1.338 141 I HN 0.617 nan 8.210 nan 0.000 0.456 142 I N 7.344 127.847 120.570 -0.111 0.000 2.447 142 I HA 0.284 4.470 4.170 0.027 0.000 0.287 142 I C -1.285 174.687 176.117 -0.242 0.000 1.023 142 I CA -0.376 60.882 61.300 -0.070 0.000 1.083 142 I CB 1.438 39.408 38.000 -0.050 0.000 1.245 142 I HN 0.396 nan 8.210 nan 0.000 0.434 143 F N 4.625 124.567 119.950 -0.013 0.000 2.334 143 F HA 0.262 4.805 4.527 0.027 0.000 0.367 143 F C 1.327 177.020 175.800 -0.179 0.000 1.115 143 F CA -0.409 57.510 58.000 -0.136 0.000 1.116 143 F CB 0.777 39.653 39.000 -0.207 0.000 1.230 143 F HN 0.459 nan 8.300 nan 0.000 0.484 144 D N 2.373 122.699 120.400 -0.123 0.000 2.264 144 D HA 0.042 4.698 4.640 0.027 0.000 0.208 144 D C 0.989 177.132 176.300 -0.262 0.000 0.966 144 D CA 0.842 54.725 54.000 -0.195 0.000 0.864 144 D CB 0.420 41.046 40.800 -0.291 0.000 0.933 144 D HN 0.618 nan 8.370 nan 0.000 0.499 145 G N -0.280 108.302 108.800 -0.364 0.000 2.552 145 G HA2 0.448 4.424 3.960 0.027 0.000 0.288 145 G HA3 0.448 4.424 3.960 0.027 0.000 0.288 145 G C -1.400 173.252 174.900 -0.413 0.000 1.358 145 G CA -0.373 44.395 45.100 -0.553 0.000 1.305 145 G HN -0.062 nan 8.290 nan 0.000 0.602 146 V N 2.610 122.476 119.914 -0.081 0.000 2.525 146 V HA 0.515 4.651 4.120 0.027 0.000 0.299 146 V C -0.847 175.328 176.094 0.135 0.000 1.034 146 V CA -1.190 61.067 62.300 -0.071 0.000 0.863 146 V CB 1.950 33.477 31.823 -0.494 0.000 0.999 146 V HN 0.693 nan 8.190 nan 0.000 0.423 147 N N 2.490 121.264 118.700 0.124 0.000 2.446 147 N HA 0.336 5.092 4.740 0.027 0.000 0.265 147 N C 0.599 176.047 175.510 -0.104 0.000 0.975 147 N CA 0.109 53.148 53.050 -0.018 0.000 0.928 147 N CB 2.189 40.526 38.487 -0.250 0.000 1.160 147 N HN 0.689 nan 8.380 nan 0.000 0.495 148 S N 1.756 117.430 115.700 -0.043 0.000 2.526 148 S HA 0.584 5.071 4.470 0.027 0.000 0.220 148 S C 0.365 175.024 174.600 0.097 0.000 1.017 148 S CA -0.023 58.201 58.200 0.039 0.000 0.930 148 S CB 0.394 63.633 63.200 0.065 0.000 0.856 148 S HN 0.662 nan 8.310 nan 0.000 0.497 149 A N 0.905 123.791 122.820 0.110 0.000 2.610 149 A HA 0.797 5.133 4.320 0.027 0.000 0.291 149 A C -1.429 176.237 177.584 0.136 0.000 1.086 149 A CA -0.944 51.119 52.037 0.044 0.000 0.677 149 A CB 0.902 19.949 19.000 0.079 0.000 1.278 149 A HN 1.008 nan 8.150 nan 0.000 0.414 150 F N -1.116 118.636 119.950 -0.329 0.000 2.741 150 F HA 0.733 5.276 4.527 0.027 0.000 0.311 150 F C -1.107 174.582 175.800 -0.186 0.000 1.149 150 F CA -0.817 57.097 58.000 -0.143 0.000 0.930 150 F CB 0.912 39.815 39.000 -0.162 0.000 1.312 150 F HN 0.636 nan 8.300 nan 0.000 0.450 151 H N 1.390 120.592 119.070 0.219 0.000 2.529 151 H HA 0.749 5.321 4.556 0.027 0.000 0.348 151 H C -1.447 173.833 175.328 -0.080 0.000 1.152 151 H CA -0.707 55.338 56.048 -0.005 0.000 1.202 151 H CB 2.509 32.265 29.762 -0.011 0.000 1.562 151 H HN 0.767 nan 8.280 nan 0.000 0.515 152 L N 2.649 123.653 121.223 -0.365 0.000 2.386 152 L HA 0.409 4.765 4.340 0.027 0.000 0.271 152 L C -1.577 175.012 176.870 -0.469 0.000 0.993 152 L CA -0.539 54.165 54.840 -0.227 0.000 0.819 152 L CB 1.435 43.207 42.059 -0.479 0.000 1.294 152 L HN 0.520 nan 8.230 nan 0.000 0.414 153 W N 4.124 125.385 121.300 -0.065 0.000 2.864 153 W HA 0.627 5.303 4.660 0.027 0.000 0.343 153 W C -1.165 175.295 176.519 -0.099 0.000 1.109 153 W CA -0.818 56.478 57.345 -0.082 0.000 1.192 153 W CB 2.071 31.532 29.460 0.001 0.000 1.426 153 W HN 0.623 nan 8.180 nan 0.000 0.529 154 C N 4.130 123.515 119.300 0.141 0.000 2.446 154 C HA 0.290 4.766 4.460 0.027 0.000 0.329 154 C C 0.163 175.282 174.990 0.215 0.000 1.166 154 C CA -0.402 58.696 59.018 0.133 0.000 1.341 154 C CB -0.409 27.341 27.740 0.018 0.000 1.970 154 C HN 0.808 nan 8.230 nan 0.000 0.452 155 N N 3.525 122.306 118.700 0.136 0.000 2.727 155 N HA -0.190 4.566 4.740 0.027 0.000 0.249 155 N C 1.004 176.577 175.510 0.105 0.000 1.048 155 N CA 2.136 55.239 53.050 0.088 0.000 0.714 155 N CB -1.232 37.310 38.487 0.092 0.000 0.959 155 N HN 1.881 nan 8.380 nan 0.000 0.544 156 G N -1.352 107.505 108.800 0.095 0.000 2.234 156 G HA2 -0.365 3.611 3.960 0.027 0.000 0.260 156 G HA3 -0.365 3.611 3.960 0.027 0.000 0.260 156 G C 0.148 175.216 174.900 0.280 0.000 0.987 156 G CA 0.607 45.760 45.100 0.089 0.000 0.625 156 G HN 0.560 nan 8.290 nan 0.000 0.532 157 R N -0.918 119.810 120.500 0.381 0.000 2.407 157 R HA 0.456 4.812 4.340 0.027 0.000 0.303 157 R C -0.249 176.385 176.300 0.556 0.000 0.981 157 R CA -0.836 55.560 56.100 0.494 0.000 0.905 157 R CB 1.142 31.742 30.300 0.501 0.000 1.099 157 R HN 0.219 nan 8.270 nan 0.000 0.459 158 W N 3.331 124.810 121.300 0.298 0.000 2.253 158 W HA 0.111 4.787 4.660 0.027 0.000 0.322 158 W C 0.027 176.476 176.519 -0.117 0.000 1.342 158 W CA 0.038 57.263 57.345 -0.201 0.000 1.218 158 W CB 0.714 29.998 29.460 -0.292 0.000 1.205 158 W HN 0.317 nan 8.180 nan 0.000 0.551 159 V N 5.131 124.313 119.914 -1.221 0.000 2.911 159 V HA 0.540 4.676 4.120 0.027 0.000 0.237 159 V C 0.994 176.132 176.094 -1.592 0.000 1.156 159 V CA 0.953 62.513 62.300 -1.235 0.000 1.180 159 V CB -0.161 30.935 31.823 -1.213 0.000 0.932 159 V HN 0.835 nan 8.190 nan 0.000 0.483 160 G N -1.629 105.970 108.800 -2.002 0.000 2.341 160 G HA2 0.458 4.434 3.960 0.027 0.000 0.299 160 G HA3 0.458 4.434 3.960 0.027 0.000 0.299 160 G C -2.393 172.051 174.900 -0.759 0.000 1.274 160 G CA -0.168 44.110 45.100 -1.371 0.000 0.853 160 G HN 0.025 nan 8.290 nan 0.000 0.493 161 Y N -0.604 119.428 120.300 -0.448 0.000 2.571 161 Y HA 0.697 5.263 4.550 0.027 0.000 0.341 161 Y C -0.139 175.514 175.900 -0.411 0.000 1.076 161 Y CA 0.012 57.789 58.100 -0.539 0.000 1.029 161 Y CB 2.134 40.430 38.460 -0.274 0.000 1.308 161 Y HN 1.341 nan 8.280 nan 0.000 0.461 162 G N 3.332 111.268 108.800 -1.439 0.000 2.718 162 G HA2 0.577 4.553 3.960 0.027 0.000 0.295 162 G HA3 0.577 4.553 3.960 0.027 0.000 0.295 162 G C -2.157 172.302 174.900 -0.735 0.000 1.421 162 G CA -0.863 43.738 45.100 -0.832 0.000 0.902 162 G HN 0.640 nan 8.290 nan 0.000 0.501 163 Q N -0.515 119.104 119.800 -0.302 0.000 2.892 163 Q HA 0.597 4.953 4.340 0.027 0.000 0.307 163 Q C -1.381 174.623 176.000 0.007 0.000 1.039 163 Q CA -0.794 54.946 55.803 -0.105 0.000 0.792 163 Q CB 2.567 31.296 28.738 -0.015 0.000 1.504 163 Q HN 0.685 nan 8.270 nan 0.000 0.487 164 D N -0.363 120.077 120.400 0.066 0.000 4.535 164 D HA -0.100 4.556 4.640 0.027 0.000 0.236 164 D C -0.579 175.787 176.300 0.109 0.000 1.142 164 D CA 0.516 54.571 54.000 0.091 0.000 1.102 164 D CB -0.732 40.108 40.800 0.067 0.000 0.703 164 D HN 0.501 nan 8.370 nan 0.000 0.331 165 S N 3.269 119.048 115.700 0.131 0.000 2.547 165 S HA -0.055 4.431 4.470 0.027 0.000 0.235 165 S C 1.492 176.221 174.600 0.215 0.000 0.980 165 S CA 0.529 58.832 58.200 0.172 0.000 0.941 165 S CB 0.201 63.476 63.200 0.126 0.000 0.763 165 S HN 0.471 nan 8.310 nan 0.000 0.532 166 R N 0.190 120.784 120.500 0.157 0.000 2.596 166 R HA 0.432 4.788 4.340 0.027 0.000 0.369 166 R C -0.506 175.859 176.300 0.107 0.000 1.042 166 R CA 0.050 56.245 56.100 0.159 0.000 1.120 166 R CB 0.195 30.619 30.300 0.207 0.000 1.353 166 R HN 0.315 nan 8.270 nan 0.000 0.564 167 L N 1.540 122.797 121.223 0.056 0.000 2.371 167 L HA 0.515 4.871 4.340 0.027 0.000 0.262 167 L C -2.403 174.450 176.870 -0.029 0.000 1.006 167 L CA -2.269 52.574 54.840 0.005 0.000 0.818 167 L CB 3.067 45.122 42.059 -0.007 0.000 1.354 167 L HN -0.204 nan 8.230 nan 0.000 0.415 168 P HA 0.108 nan 4.420 nan 0.000 0.271 168 P C -0.982 176.285 177.300 -0.055 0.000 1.216 168 P CA -0.208 62.848 63.100 -0.073 0.000 0.771 168 P CB 1.153 32.771 31.700 -0.137 0.000 0.864 169 S N 2.123 117.849 115.700 0.044 0.000 2.456 169 S HA 0.299 4.786 4.470 0.027 0.000 0.316 169 S C -0.331 174.204 174.600 -0.109 0.000 1.089 169 S CA -0.561 57.622 58.200 -0.029 0.000 1.101 169 S CB 0.790 64.134 63.200 0.240 0.000 0.995 169 S HN 0.367 nan 8.310 nan 0.000 0.468 170 E N 2.035 121.975 120.200 -0.432 0.000 2.199 170 E HA 0.538 4.904 4.350 0.027 0.000 0.269 170 E C -1.400 174.811 176.600 -0.648 0.000 0.899 170 E CA -0.506 55.716 56.400 -0.296 0.000 0.772 170 E CB 1.583 31.223 29.700 -0.101 0.000 1.155 170 E HN 0.413 nan 8.360 nan 0.000 0.408 171 F N 0.698 120.705 119.950 0.096 0.000 2.565 171 F HA 0.197 4.741 4.527 0.027 0.000 0.313 171 F C 0.134 175.959 175.800 0.042 0.000 1.091 171 F CA -1.111 56.907 58.000 0.031 0.000 0.915 171 F CB 1.502 40.485 39.000 -0.028 0.000 1.208 171 F HN 0.274 nan 8.300 nan 0.000 0.453 172 D N 2.799 123.328 120.400 0.214 0.000 2.343 172 D HA 0.195 4.851 4.640 0.027 0.000 0.255 172 D C 0.256 176.696 176.300 0.234 0.000 1.187 172 D CA 0.312 54.423 54.000 0.186 0.000 0.875 172 D CB 0.961 41.856 40.800 0.159 0.000 1.136 172 D HN 0.564 nan 8.370 nan 0.000 0.469 173 L N 2.949 124.313 121.223 0.236 0.000 2.700 173 L HA 0.044 4.400 4.340 0.027 0.000 0.234 173 L C 2.047 179.149 176.870 0.387 0.000 1.156 173 L CA -0.190 54.830 54.840 0.300 0.000 0.946 173 L CB 0.058 42.256 42.059 0.232 0.000 1.216 173 L HN 0.287 nan 8.230 nan 0.000 0.493 174 S N 1.415 117.289 115.700 0.290 0.000 2.372 174 S HA -0.265 4.221 4.470 0.027 0.000 0.227 174 S C 1.962 176.672 174.600 0.183 0.000 1.044 174 S CA 1.882 60.212 58.200 0.217 0.000 1.050 174 S CB -0.114 63.171 63.200 0.141 0.000 0.901 174 S HN 0.569 nan 8.310 nan 0.000 0.447 175 A N -0.822 122.092 122.820 0.157 0.000 2.251 175 A HA 0.391 4.728 4.320 0.027 0.000 0.209 175 A C 1.167 178.652 177.584 -0.165 0.000 1.187 175 A CA 0.137 52.148 52.037 -0.045 0.000 0.823 175 A CB -0.371 18.518 19.000 -0.185 0.000 0.846 175 A HN 0.475 nan 8.150 nan 0.000 0.486 176 F N -0.978 119.015 119.950 0.071 0.000 2.724 176 F HA 0.397 4.940 4.527 0.027 0.000 0.306 176 F C 0.619 176.456 175.800 0.062 0.000 1.100 176 F CA -0.034 58.007 58.000 0.068 0.000 1.255 176 F CB 0.287 39.334 39.000 0.079 0.000 1.072 176 F HN -0.007 nan 8.300 nan 0.000 0.589 177 L N 0.812 122.178 121.223 0.238 0.000 2.365 177 L HA 0.584 4.940 4.340 0.027 0.000 0.267 177 L C 0.031 176.943 176.870 0.069 0.000 1.033 177 L CA -0.950 53.975 54.840 0.142 0.000 0.802 177 L CB 1.317 43.474 42.059 0.163 0.000 1.267 177 L HN -0.072 nan 8.230 nan 0.000 0.457 178 R N 1.052 121.555 120.500 0.005 0.000 2.774 178 R HA 0.723 5.080 4.340 0.027 0.000 0.272 178 R C -1.294 174.980 176.300 -0.043 0.000 1.000 178 R CA -0.721 55.374 56.100 -0.009 0.000 0.906 178 R CB 1.582 31.871 30.300 -0.018 0.000 1.227 178 R HN 0.576 nan 8.270 nan 0.000 0.468 179 A N 1.085 123.889 122.820 -0.027 0.000 2.498 179 A HA 0.490 4.826 4.320 0.027 0.000 0.239 179 A C 1.036 178.571 177.584 -0.082 0.000 1.068 179 A CA 1.223 53.234 52.037 -0.043 0.000 0.766 179 A CB -0.659 18.330 19.000 -0.018 0.000 1.003 179 A HN 1.530 nan 8.150 nan 0.000 0.497 180 G N 1.265 109.998 108.800 -0.112 0.000 2.484 180 G HA2 -0.106 3.870 3.960 0.027 0.000 0.225 180 G HA3 -0.106 3.870 3.960 0.027 0.000 0.225 180 G C -0.387 174.389 174.900 -0.208 0.000 1.250 180 G CA -0.104 44.917 45.100 -0.130 0.000 0.926 180 G HN 0.951 nan 8.290 nan 0.000 0.581 181 E N 1.772 121.856 120.200 -0.192 0.000 2.360 181 E HA 0.356 4.722 4.350 0.027 0.000 0.269 181 E C 0.146 176.556 176.600 -0.316 0.000 1.022 181 E CA 0.067 56.312 56.400 -0.258 0.000 0.887 181 E CB 0.674 30.273 29.700 -0.169 0.000 0.990 181 E HN 0.479 nan 8.360 nan 0.000 0.426 182 N N 1.799 120.188 118.700 -0.518 0.000 2.416 182 N HA 0.368 5.124 4.740 0.027 0.000 0.276 182 N C -0.887 174.389 175.510 -0.390 0.000 1.261 182 N CA -0.647 52.102 53.050 -0.501 0.000 0.790 182 N CB 2.834 40.808 38.487 -0.855 0.000 1.554 182 N HN 0.255 nan 8.380 nan 0.000 0.481 183 R N 1.439 121.868 120.500 -0.118 0.000 2.575 183 R HA 0.515 4.871 4.340 0.027 0.000 0.293 183 R C -1.223 175.143 176.300 0.110 0.000 0.983 183 R CA -0.489 55.620 56.100 0.014 0.000 0.887 183 R CB 1.164 31.430 30.300 -0.056 0.000 1.184 183 R HN 0.479 nan 8.270 nan 0.000 0.445 184 L N 2.827 124.152 121.223 0.169 0.000 2.360 184 L HA 0.775 5.131 4.340 0.027 0.000 0.271 184 L C -0.278 176.641 176.870 0.083 0.000 1.057 184 L CA -0.935 54.002 54.840 0.162 0.000 0.803 184 L CB 1.907 44.058 42.059 0.154 0.000 1.207 184 L HN 0.775 nan 8.230 nan 0.000 0.445 185 A N 2.502 125.393 122.820 0.118 0.000 2.381 185 A HA 0.743 5.079 4.320 0.027 0.000 0.299 185 A C -1.180 176.686 177.584 0.471 0.000 1.049 185 A CA -0.437 51.582 52.037 -0.030 0.000 0.715 185 A CB 1.625 20.082 19.000 -0.905 0.000 1.222 185 A HN 0.354 nan 8.150 nan 0.000 0.428 186 V N 3.182 123.544 119.914 0.747 0.000 2.483 186 V HA 0.497 4.633 4.120 0.027 0.000 0.297 186 V C -0.102 176.513 176.094 0.870 0.000 1.027 186 V CA -0.317 62.417 62.300 0.722 0.000 0.855 186 V CB 1.578 33.634 31.823 0.389 0.000 0.995 186 V HN 0.971 nan 8.190 nan 0.000 0.424 187 M N 6.007 126.143 119.600 0.892 0.000 2.061 187 M HA 0.593 5.090 4.480 0.027 0.000 0.346 187 M C -1.491 175.066 176.300 0.429 0.000 1.112 187 M CA -0.335 55.314 55.300 0.582 0.000 1.021 187 M CB 1.102 34.086 32.600 0.641 0.000 1.530 187 M HN 0.484 nan 8.290 nan 0.000 0.437 188 V N 6.926 127.042 119.914 0.337 0.000 2.370 188 V HA 0.402 4.538 4.120 0.027 0.000 0.283 188 V C -0.208 176.050 176.094 0.274 0.000 1.023 188 V CA -0.700 61.811 62.300 0.352 0.000 0.857 188 V CB 1.395 33.513 31.823 0.491 0.000 0.985 188 V HN 0.813 nan 8.190 nan 0.000 0.443 189 L N 4.714 126.027 121.223 0.149 0.000 2.312 189 L HA 0.522 4.879 4.340 0.027 0.000 0.281 189 L C 1.566 178.454 176.870 0.031 0.000 1.070 189 L CA -0.311 54.544 54.840 0.025 0.000 0.805 189 L CB 1.068 43.050 42.059 -0.128 0.000 1.174 189 L HN 0.629 nan 8.230 nan 0.000 0.434 190 R N 2.624 123.097 120.500 -0.044 0.000 2.066 190 R HA -0.033 4.323 4.340 0.027 0.000 0.232 190 R C -0.356 175.616 176.300 -0.548 0.000 1.131 190 R CA 1.157 56.991 56.100 -0.444 0.000 0.955 190 R CB 0.214 30.111 30.300 -0.672 0.000 0.851 190 R HN 0.576 nan 8.270 nan 0.000 0.432 191 W N 0.181 121.540 121.300 0.099 0.000 2.666 191 W HA 0.420 5.096 4.660 0.026 0.000 0.334 191 W C -0.366 176.258 176.519 0.175 0.000 1.051 191 W CA -0.781 56.628 57.345 0.107 0.000 1.224 191 W CB 1.866 31.393 29.460 0.111 0.000 1.405 191 W HN 0.046 nan 8.180 nan 0.000 0.513 192 S N -1.039 114.940 115.700 0.465 0.000 2.672 192 S HA 0.199 4.685 4.470 0.027 0.000 0.271 192 S C 0.059 174.910 174.600 0.419 0.000 1.171 192 S CA -0.425 58.057 58.200 0.471 0.000 0.817 192 S CB 1.111 64.566 63.200 0.426 0.000 1.150 192 S HN 0.635 nan 8.310 nan 0.000 0.478 193 D N 0.263 120.924 120.400 0.435 0.000 2.309 193 D HA 0.086 4.742 4.640 0.027 0.000 0.212 193 D C 1.732 178.361 176.300 0.548 0.000 0.968 193 D CA 1.076 55.398 54.000 0.537 0.000 0.882 193 D CB -0.640 40.345 40.800 0.307 0.000 0.918 193 D HN 0.700 nan 8.370 nan 0.000 0.503 194 G N 0.116 109.144 108.800 0.380 0.000 2.471 194 G HA2 -0.241 3.735 3.960 0.027 0.000 0.219 194 G HA3 -0.241 3.735 3.960 0.027 0.000 0.219 194 G C 1.685 176.774 174.900 0.315 0.000 1.125 194 G CA 0.597 45.895 45.100 0.330 0.000 0.775 194 G HN 0.295 nan 8.290 nan 0.000 0.548 195 S N -0.002 115.864 115.700 0.276 0.000 2.419 195 S HA -0.105 4.381 4.470 0.027 0.000 0.233 195 S C 1.913 176.600 174.600 0.146 0.000 1.016 195 S CA 0.709 59.036 58.200 0.212 0.000 0.974 195 S CB -0.370 62.970 63.200 0.233 0.000 0.786 195 S HN 0.511 nan 8.310 nan 0.000 0.492 196 Y N 1.287 121.724 120.300 0.230 0.000 2.333 196 Y HA 0.054 4.620 4.550 0.027 0.000 0.290 196 Y C 1.648 177.666 175.900 0.198 0.000 1.144 196 Y CA 0.666 58.822 58.100 0.093 0.000 1.228 196 Y CB -0.283 38.104 38.460 -0.121 0.000 0.985 196 Y HN 0.216 nan 8.280 nan 0.000 0.542 197 L N -0.393 121.035 121.223 0.343 0.000 2.628 197 L HA 0.128 4.484 4.340 0.027 0.000 0.229 197 L C 0.049 177.066 176.870 0.246 0.000 1.137 197 L CA 0.381 55.378 54.840 0.262 0.000 0.909 197 L CB 0.030 42.246 42.059 0.262 0.000 1.137 197 L HN 0.111 nan 8.230 nan 0.000 0.470 198 E N -0.091 120.267 120.200 0.263 0.000 3.582 198 E HA 0.046 4.412 4.350 0.027 0.000 0.217 198 E C -0.471 176.248 176.600 0.199 0.000 1.092 198 E CA -0.071 56.467 56.400 0.230 0.000 1.365 198 E CB 0.480 30.304 29.700 0.207 0.000 1.278 198 E HN 0.027 nan 8.360 nan 0.000 0.439 199 D N 1.110 121.588 120.400 0.130 0.000 2.561 199 D HA 0.028 4.684 4.640 0.027 0.000 0.232 199 D C -0.187 176.118 176.300 0.009 0.000 1.198 199 D CA -0.096 53.873 54.000 -0.053 0.000 0.826 199 D CB 0.185 40.711 40.800 -0.457 0.000 0.992 199 D HN 0.077 nan 8.370 nan 0.000 0.490 200 Q N 0.435 120.333 119.800 0.163 0.000 2.432 200 Q HA 0.109 4.465 4.340 0.027 0.000 0.264 200 Q C -0.066 176.060 176.000 0.209 0.000 1.035 200 Q CA 0.109 56.074 55.803 0.270 0.000 0.908 200 Q CB 0.566 29.626 28.738 0.538 0.000 1.280 200 Q HN 0.042 nan 8.270 nan 0.000 0.455 201 D N 2.980 123.525 120.400 0.242 0.000 2.441 201 D HA 0.166 4.822 4.640 0.027 0.000 0.243 201 D C -0.821 175.628 176.300 0.248 0.000 1.257 201 D CA 0.116 54.233 54.000 0.194 0.000 1.027 201 D CB -0.429 40.490 40.800 0.197 0.000 1.084 201 D HN 0.495 nan 8.370 nan 0.000 0.514 202 M N 0.338 120.054 119.600 0.194 0.000 2.949 202 M HA 0.389 4.885 4.480 0.027 0.000 0.270 202 M C -1.302 175.082 176.300 0.140 0.000 1.221 202 M CA -1.156 54.182 55.300 0.063 0.000 0.818 202 M CB 1.023 33.612 32.600 -0.018 0.000 1.635 202 M HN -0.103 nan 8.290 nan 0.000 0.492 203 W N 2.032 123.413 121.300 0.135 0.000 2.257 203 W HA 0.284 4.960 4.660 0.027 0.000 0.337 203 W C 0.280 176.822 176.519 0.038 0.000 1.321 203 W CA 0.050 57.468 57.345 0.122 0.000 1.267 203 W CB 0.323 29.793 29.460 0.016 0.000 1.187 203 W HN 0.302 nan 8.180 nan 0.000 0.565 204 R N 4.792 125.460 120.500 0.279 0.000 2.198 204 R HA 0.453 4.809 4.340 0.027 0.000 0.339 204 R C -0.090 176.215 176.300 0.009 0.000 1.020 204 R CA -0.256 55.932 56.100 0.146 0.000 0.864 204 R CB 0.335 30.790 30.300 0.259 0.000 1.105 204 R HN 0.571 nan 8.270 nan 0.000 0.463 205 M N 0.183 119.674 119.600 -0.182 0.000 2.826 205 M HA 0.513 5.009 4.480 0.027 0.000 0.284 205 M C -0.192 175.756 176.300 -0.587 0.000 1.191 205 M CA -0.826 54.250 55.300 -0.372 0.000 0.745 205 M CB 2.365 34.745 32.600 -0.367 0.000 1.750 205 M HN 0.662 nan 8.290 nan 0.000 0.434 206 S N -1.170 114.053 115.700 -0.794 0.000 2.611 206 S HA 0.947 5.433 4.470 0.027 0.000 0.268 206 S C -0.669 173.442 174.600 -0.816 0.000 1.156 206 S CA -0.181 57.489 58.200 -0.884 0.000 0.817 206 S CB 1.840 64.313 63.200 -1.211 0.000 1.122 206 S HN 1.471 nan 8.310 nan 0.000 0.466 207 G N -0.155 108.417 108.800 -0.380 0.000 2.347 207 G HA2 0.237 4.213 3.960 0.027 0.000 0.341 207 G HA3 0.237 4.213 3.960 0.027 0.000 0.341 207 G C -1.571 173.349 174.900 0.034 0.000 1.287 207 G CA -0.653 44.495 45.100 0.081 0.000 0.984 207 G HN 1.126 nan 8.290 nan 0.000 0.526 208 I N 2.057 122.514 120.570 -0.189 0.000 2.268 208 I HA 0.267 4.453 4.170 0.027 0.000 0.290 208 I C 1.088 177.071 176.117 -0.223 0.000 1.125 208 I CA -0.330 60.734 61.300 -0.392 0.000 1.236 208 I CB -0.035 37.452 38.000 -0.855 0.000 1.469 208 I HN 0.507 nan 8.210 nan 0.000 0.512 209 F N 4.323 124.123 119.950 -0.251 0.000 2.695 209 F HA 0.455 4.998 4.527 0.026 0.000 0.303 209 F C 0.615 176.337 175.800 -0.130 0.000 1.091 209 F CA -0.531 57.356 58.000 -0.188 0.000 1.300 209 F CB -0.022 38.873 39.000 -0.176 0.000 1.071 209 F HN 0.106 nan 8.300 nan 0.000 0.578 210 R N 0.445 120.499 120.500 -0.744 0.000 2.912 210 R HA 0.255 4.611 4.340 0.027 0.000 0.262 210 R C -0.683 175.407 176.300 -0.350 0.000 1.057 210 R CA -1.142 54.644 56.100 -0.522 0.000 0.981 210 R CB 0.759 30.682 30.300 -0.628 0.000 1.201 210 R HN -0.034 nan 8.270 nan 0.000 0.484 211 D N 0.748 120.990 120.400 -0.263 0.000 2.419 211 D HA 0.096 4.752 4.640 0.027 0.000 0.236 211 D C -0.416 175.743 176.300 -0.234 0.000 1.165 211 D CA 0.457 54.340 54.000 -0.196 0.000 0.882 211 D CB 0.727 41.443 40.800 -0.140 0.000 1.201 211 D HN -0.011 nan 8.370 nan 0.000 0.443 212 V N 0.843 120.628 119.914 -0.215 0.000 2.588 212 V HA 0.551 4.687 4.120 0.027 0.000 0.304 212 V C 0.077 176.048 176.094 -0.205 0.000 1.042 212 V CA -0.579 61.532 62.300 -0.315 0.000 0.877 212 V CB 1.722 33.358 31.823 -0.312 0.000 0.996 212 V HN 0.772 nan 8.190 nan 0.000 0.425 213 S N 4.269 119.826 115.700 -0.237 0.000 2.671 213 S HA 0.898 5.384 4.470 0.027 0.000 0.277 213 S C -1.473 173.066 174.600 -0.102 0.000 1.165 213 S CA -0.859 57.267 58.200 -0.123 0.000 0.822 213 S CB 2.192 65.355 63.200 -0.062 0.000 1.150 213 S HN 0.489 nan 8.310 nan 0.000 0.479 214 L N 1.110 122.334 121.223 0.002 0.000 2.385 214 L HA 0.794 5.150 4.340 0.027 0.000 0.273 214 L C -1.585 175.451 176.870 0.277 0.000 0.990 214 L CA -0.717 54.189 54.840 0.110 0.000 0.821 214 L CB 1.701 43.798 42.059 0.063 0.000 1.279 214 L HN 0.853 nan 8.230 nan 0.000 0.412 215 L N 4.235 125.618 121.223 0.266 0.000 2.362 215 L HA 0.505 4.861 4.340 0.027 0.000 0.275 215 L C -1.152 175.785 176.870 0.111 0.000 0.998 215 L CA -0.187 54.763 54.840 0.184 0.000 0.820 215 L CB 1.358 43.475 42.059 0.097 0.000 1.270 215 L HN 0.650 nan 8.230 nan 0.000 0.415 216 H N 5.281 124.189 119.070 -0.269 0.000 2.488 216 H HA 0.475 5.048 4.556 0.027 0.000 0.322 216 H C -1.244 173.888 175.328 -0.327 0.000 1.078 216 H CA -0.572 55.177 56.048 -0.499 0.000 1.260 216 H CB 1.113 30.096 29.762 -1.300 0.000 1.425 216 H HN 0.529 nan 8.280 nan 0.000 0.471 217 K N 5.350 125.362 120.400 -0.646 0.000 2.328 217 K HA 0.379 4.716 4.320 0.027 0.000 0.246 217 K C -2.698 173.622 176.600 -0.467 0.000 0.955 217 K CA -2.049 53.998 56.287 -0.401 0.000 0.817 217 K CB 2.170 34.508 32.500 -0.270 0.000 1.208 217 K HN 0.486 nan 8.250 nan 0.000 0.432 218 P HA 0.158 nan 4.420 nan 0.000 0.274 218 P C 0.516 177.731 177.300 -0.142 0.000 1.246 218 P CA -0.171 62.845 63.100 -0.139 0.000 0.795 218 P CB 0.472 32.141 31.700 -0.052 0.000 1.006 219 T N -1.203 113.298 114.554 -0.089 0.000 2.746 219 T HA -0.049 4.317 4.350 0.027 0.000 0.267 219 T C 0.593 175.248 174.700 -0.074 0.000 1.039 219 T CA 1.582 63.638 62.100 -0.073 0.000 1.142 219 T CB -0.621 68.223 68.868 -0.039 0.000 0.866 219 T HN 0.436 nan 8.240 nan 0.000 0.444 220 T N 3.637 118.155 114.554 -0.060 0.000 2.743 220 T HA 0.475 4.841 4.350 0.027 0.000 0.293 220 T C -0.211 174.442 174.700 -0.079 0.000 0.945 220 T CA -0.603 61.455 62.100 -0.071 0.000 1.030 220 T CB 0.723 69.566 68.868 -0.042 0.000 0.912 220 T HN 0.490 nan 8.240 nan 0.000 0.483 221 Q N 2.204 121.941 119.800 -0.104 0.000 2.590 221 Q HA 0.569 4.925 4.340 0.027 0.000 0.295 221 Q C -1.375 174.555 176.000 -0.116 0.000 0.973 221 Q CA -1.138 54.593 55.803 -0.120 0.000 0.768 221 Q CB 1.155 29.797 28.738 -0.160 0.000 1.479 221 Q HN 0.476 nan 8.270 nan 0.000 0.419 222 I N 2.592 123.067 120.570 -0.159 0.000 2.436 222 I HA 0.035 4.221 4.170 0.027 0.000 0.289 222 I C 0.811 176.813 176.117 -0.193 0.000 1.083 222 I CA 0.058 61.283 61.300 -0.126 0.000 1.372 222 I CB 1.063 38.954 38.000 -0.181 0.000 1.408 222 I HN 0.876 nan 8.210 nan 0.000 0.516 223 S N 2.699 118.405 115.700 0.010 0.000 2.511 223 S HA 0.202 4.688 4.470 0.027 0.000 0.214 223 S C 0.223 175.060 174.600 0.396 0.000 0.997 223 S CA -0.251 58.032 58.200 0.138 0.000 0.908 223 S CB 0.292 63.532 63.200 0.068 0.000 0.803 223 S HN 0.701 nan 8.310 nan 0.000 0.504 224 D N -0.222 120.398 120.400 0.366 0.000 2.683 224 D HA 0.519 5.175 4.640 0.027 0.000 0.246 224 D C -1.980 174.507 176.300 0.311 0.000 1.238 224 D CA -0.625 53.584 54.000 0.348 0.000 0.759 224 D CB 1.840 42.727 40.800 0.145 0.000 1.349 224 D HN 0.198 nan 8.370 nan 0.000 0.426 225 F N -0.502 119.500 119.950 0.086 0.000 2.635 225 F HA 0.569 5.112 4.527 0.027 0.000 0.314 225 F C -1.702 174.151 175.800 0.088 0.000 1.119 225 F CA -0.709 57.275 58.000 -0.026 0.000 1.000 225 F CB 0.971 40.006 39.000 0.060 0.000 1.278 225 F HN 0.241 nan 8.300 nan 0.000 0.446 226 H N 2.166 121.279 119.070 0.071 0.000 2.589 226 H HA 0.767 5.340 4.556 0.028 0.000 0.351 226 H C -1.281 174.076 175.328 0.049 0.000 1.074 226 H CA -1.522 54.508 56.048 -0.029 0.000 1.203 226 H CB 2.652 32.393 29.762 -0.035 0.000 1.558 226 H HN 0.621 nan 8.280 nan 0.000 0.522 227 V N 2.275 122.276 119.914 0.143 0.000 2.459 227 V HA 0.659 4.795 4.120 0.027 0.000 0.295 227 V C -0.184 175.904 176.094 -0.011 0.000 1.029 227 V CA -0.560 61.782 62.300 0.071 0.000 0.874 227 V CB 1.303 33.164 31.823 0.064 0.000 0.985 227 V HN 0.925 nan 8.190 nan 0.000 0.438 228 A N 3.340 126.132 122.820 -0.047 0.000 2.413 228 A HA 0.976 5.312 4.320 0.027 0.000 0.307 228 A C -0.151 177.330 177.584 -0.172 0.000 1.087 228 A CA -0.540 51.448 52.037 -0.083 0.000 0.750 228 A CB 1.994 20.966 19.000 -0.046 0.000 1.296 228 A HN 0.911 nan 8.150 nan 0.000 0.423 229 T N -0.516 113.920 114.554 -0.197 0.000 2.879 229 T HA 0.717 5.083 4.350 0.027 0.000 0.290 229 T C -0.527 173.963 174.700 -0.349 0.000 0.993 229 T CA -0.840 61.045 62.100 -0.358 0.000 0.975 229 T CB 1.179 69.711 68.868 -0.561 0.000 0.981 229 T HN 1.007 nan 8.240 nan 0.000 0.439 230 R N 1.865 122.081 120.500 -0.473 0.000 2.740 230 R HA 0.819 5.175 4.340 0.027 0.000 0.282 230 R C -1.731 174.205 176.300 -0.608 0.000 0.969 230 R CA -0.944 54.947 56.100 -0.350 0.000 0.918 230 R CB 1.367 31.594 30.300 -0.122 0.000 1.175 230 R HN 0.502 nan 8.270 nan 0.000 0.464 231 F N 0.610 120.542 119.950 -0.030 0.000 2.631 231 F HA 0.364 4.907 4.527 0.025 0.000 0.328 231 F C 0.360 176.030 175.800 -0.217 0.000 1.067 231 F CA -0.949 56.977 58.000 -0.124 0.000 0.969 231 F CB 1.539 40.365 39.000 -0.289 0.000 1.332 231 F HN 0.707 nan 8.300 nan 0.000 0.490 232 N N -0.075 118.602 118.700 -0.037 0.000 2.366 232 N HA 0.054 4.810 4.740 0.027 0.000 0.277 232 N C 0.392 175.760 175.510 -0.237 0.000 1.275 232 N CA -0.167 52.825 53.050 -0.096 0.000 0.964 232 N CB 0.043 38.502 38.487 -0.048 0.000 1.167 232 N HN 0.667 nan 8.380 nan 0.000 0.568 233 D N -1.582 118.727 120.400 -0.151 0.000 2.218 233 D HA -0.205 4.451 4.640 0.027 0.000 0.204 233 D C 0.245 176.458 176.300 -0.145 0.000 0.976 233 D CA 1.313 55.221 54.000 -0.153 0.000 0.853 233 D CB -0.463 40.309 40.800 -0.046 0.000 0.939 233 D HN 0.711 nan 8.370 nan 0.000 0.481 234 D N -1.591 118.766 120.400 -0.071 0.000 2.440 234 D HA 0.026 4.682 4.640 0.027 0.000 0.216 234 D C 0.104 176.540 176.300 0.226 0.000 1.150 234 D CA -0.898 53.171 54.000 0.116 0.000 0.832 234 D CB -0.929 39.942 40.800 0.119 0.000 0.992 234 D HN 0.179 nan 8.370 nan 0.000 0.502 235 F N 0.407 120.418 119.950 0.102 0.000 2.953 235 F HA -0.281 4.260 4.527 0.024 0.000 0.292 235 F C 1.599 177.485 175.800 0.144 0.000 0.747 235 F CA 0.787 58.858 58.000 0.118 0.000 1.222 235 F CB -2.495 36.464 39.000 -0.068 0.000 1.457 235 F HN 0.199 nan 8.300 nan 0.000 0.383 236 S N -1.042 114.763 115.700 0.174 0.000 2.524 236 S HA 0.315 4.802 4.470 0.027 0.000 0.216 236 S C 0.596 175.253 174.600 0.096 0.000 0.987 236 S CA -0.037 58.240 58.200 0.129 0.000 0.909 236 S CB 0.383 63.634 63.200 0.085 0.000 0.781 236 S HN 0.460 nan 8.310 nan 0.000 0.521 237 R N 0.215 120.776 120.500 0.101 0.000 2.673 237 R HA 0.821 5.177 4.340 0.027 0.000 0.281 237 R C -1.204 175.126 176.300 0.049 0.000 0.991 237 R CA -0.389 55.738 56.100 0.044 0.000 0.896 237 R CB 2.139 32.441 30.300 0.005 0.000 1.201 237 R HN 0.224 nan 8.270 nan 0.000 0.457 238 A N 1.551 124.341 122.820 -0.049 0.000 2.527 238 A HA 0.792 5.128 4.320 0.027 0.000 0.293 238 A C -1.316 176.180 177.584 -0.147 0.000 1.117 238 A CA -0.736 51.173 52.037 -0.214 0.000 0.723 238 A CB 2.099 20.960 19.000 -0.232 0.000 1.313 238 A HN 0.341 nan 8.150 nan 0.000 0.411 239 V N 1.268 121.071 119.914 -0.186 0.000 2.483 239 V HA 0.422 4.558 4.120 0.027 0.000 0.297 239 V C -0.577 175.453 176.094 -0.106 0.000 1.027 239 V CA -0.370 61.866 62.300 -0.106 0.000 0.855 239 V CB 1.420 33.181 31.823 -0.104 0.000 0.995 239 V HN 0.808 nan 8.190 nan 0.000 0.424 240 L N 4.764 125.964 121.223 -0.039 0.000 2.292 240 L HA 0.631 4.987 4.340 0.027 0.000 0.284 240 L C -0.011 176.819 176.870 -0.067 0.000 1.065 240 L CA 0.034 54.827 54.840 -0.078 0.000 0.806 240 L CB 1.160 43.206 42.059 -0.022 0.000 1.175 240 L HN 0.835 nan 8.230 nan 0.000 0.431 241 E N 4.701 124.857 120.200 -0.073 0.000 2.191 241 E HA 0.644 5.010 4.350 0.027 0.000 0.263 241 E C -1.575 175.017 176.600 -0.014 0.000 0.881 241 E CA -0.792 55.583 56.400 -0.042 0.000 0.757 241 E CB 1.743 31.419 29.700 -0.041 0.000 1.147 241 E HN 0.713 nan 8.360 nan 0.000 0.414 242 A N 4.734 127.553 122.820 -0.001 0.000 2.310 242 A HA 0.321 4.657 4.320 0.027 0.000 0.304 242 A C -0.646 176.947 177.584 0.015 0.000 1.231 242 A CA -0.683 51.376 52.037 0.037 0.000 0.799 242 A CB 1.028 20.052 19.000 0.039 0.000 1.162 242 A HN 0.753 nan 8.150 nan 0.000 0.486 243 E N 2.582 122.791 120.200 0.015 0.000 2.227 243 E HA 0.537 4.903 4.350 0.027 0.000 0.282 243 E C -1.286 175.275 176.600 -0.065 0.000 1.015 243 E CA -0.363 56.007 56.400 -0.050 0.000 0.823 243 E CB 1.141 30.786 29.700 -0.092 0.000 1.081 243 E HN 0.378 nan 8.360 nan 0.000 0.396 244 V N 4.720 124.616 119.914 -0.030 0.000 2.540 244 V HA 0.287 4.423 4.120 0.027 0.000 0.302 244 V C -0.467 175.698 176.094 0.118 0.000 1.035 244 V CA -0.806 61.522 62.300 0.048 0.000 0.873 244 V CB 1.666 33.502 31.823 0.022 0.000 0.992 244 V HN 0.740 nan 8.190 nan 0.000 0.428 245 Q N 4.211 124.084 119.800 0.121 0.000 2.345 245 Q HA 0.839 5.195 4.340 0.027 0.000 0.268 245 Q C -0.816 175.251 176.000 0.112 0.000 1.054 245 Q CA -0.861 55.013 55.803 0.118 0.000 0.835 245 Q CB 2.655 31.399 28.738 0.009 0.000 1.339 245 Q HN 0.819 nan 8.270 nan 0.000 0.447 246 M N -0.902 118.678 119.600 -0.034 0.000 2.644 246 M HA 0.756 5.252 4.480 0.027 0.000 0.304 246 M C -1.351 174.844 176.300 -0.175 0.000 1.215 246 M CA -0.464 54.735 55.300 -0.168 0.000 0.871 246 M CB 1.649 33.961 32.600 -0.479 0.000 1.740 246 M HN 0.525 nan 8.290 nan 0.000 0.464 247 C N 0.801 120.014 119.300 -0.144 0.000 2.667 247 C HA 1.039 5.515 4.460 0.027 0.000 0.323 247 C C 0.638 175.547 174.990 -0.134 0.000 1.214 247 C CA 0.559 59.509 59.018 -0.115 0.000 1.721 247 C CB 1.104 28.805 27.740 -0.064 0.000 2.275 247 C HN 1.414 nan 8.230 nan 0.000 0.491 248 G N 1.450 110.183 108.800 -0.112 0.000 2.483 248 G HA2 0.000 3.977 3.960 0.027 0.000 0.521 248 G HA3 0.000 3.977 3.960 0.027 0.000 0.521 248 G C -0.978 173.849 174.900 -0.122 0.000 1.278 248 G CA -0.472 44.566 45.100 -0.103 0.000 0.965 248 G HN 0.958 nan 8.290 nan 0.000 0.504 249 E N -0.131 120.006 120.200 -0.105 0.000 2.257 249 E HA 0.414 4.780 4.350 0.027 0.000 0.278 249 E C 0.590 177.088 176.600 -0.171 0.000 1.049 249 E CA -0.534 55.798 56.400 -0.114 0.000 0.876 249 E CB 0.285 29.941 29.700 -0.073 0.000 1.035 249 E HN 0.468 nan 8.360 nan 0.000 0.419 250 L N 5.205 126.319 121.223 -0.182 0.000 2.453 250 L HA 0.212 4.568 4.340 0.027 0.000 0.272 250 L C 0.418 177.152 176.870 -0.227 0.000 1.182 250 L CA 0.188 54.896 54.840 -0.220 0.000 0.858 250 L CB 0.262 42.221 42.059 -0.168 0.000 1.120 250 L HN 0.490 nan 8.230 nan 0.000 0.474 251 R N 1.848 122.164 120.500 -0.307 0.000 2.651 251 R HA 0.178 4.534 4.340 0.027 0.000 0.278 251 R C -0.218 175.843 176.300 -0.399 0.000 1.010 251 R CA -0.787 55.041 56.100 -0.454 0.000 0.896 251 R CB 1.592 31.315 30.300 -0.961 0.000 1.211 251 R HN 0.513 nan 8.270 nan 0.000 0.456 252 D N 1.079 121.322 120.400 -0.260 0.000 2.263 252 D HA -0.152 4.504 4.640 0.027 0.000 0.208 252 D C 1.476 177.739 176.300 -0.062 0.000 0.971 252 D CA 1.597 55.533 54.000 -0.108 0.000 0.867 252 D CB 0.100 40.883 40.800 -0.028 0.000 0.929 252 D HN 0.584 nan 8.370 nan 0.000 0.492 253 Y N -0.145 120.166 120.300 0.019 0.000 2.529 253 Y HA 0.280 4.846 4.550 0.027 0.000 0.290 253 Y C 0.745 176.648 175.900 0.005 0.000 1.177 253 Y CA -0.507 57.600 58.100 0.013 0.000 1.305 253 Y CB -0.903 37.565 38.460 0.014 0.000 1.047 253 Y HN -0.191 nan 8.280 nan 0.000 0.522 254 L N 2.512 123.714 121.223 -0.036 0.000 2.436 254 L HA 0.351 4.707 4.340 0.027 0.000 0.265 254 L C 0.234 177.106 176.870 0.004 0.000 1.168 254 L CA -0.229 54.653 54.840 0.071 0.000 0.815 254 L CB 0.567 42.672 42.059 0.077 0.000 1.109 254 L HN 0.147 nan 8.230 nan 0.000 0.462 255 R N 1.580 121.972 120.500 -0.180 0.000 2.774 255 R HA 0.643 4.999 4.340 0.027 0.000 0.272 255 R C -1.562 174.409 176.300 -0.547 0.000 1.000 255 R CA -0.810 55.035 56.100 -0.423 0.000 0.906 255 R CB 2.169 32.092 30.300 -0.629 0.000 1.227 255 R HN 0.258 nan 8.270 nan 0.000 0.468 256 V N 1.183 120.818 119.914 -0.466 0.000 2.487 256 V HA 0.433 4.569 4.120 0.027 0.000 0.298 256 V C -0.265 175.773 176.094 -0.093 0.000 1.028 256 V CA -0.504 61.621 62.300 -0.292 0.000 0.860 256 V CB 2.179 33.761 31.823 -0.402 0.000 0.991 256 V HN 0.702 nan 8.190 nan 0.000 0.427 257 T N 4.423 119.041 114.554 0.105 0.000 2.779 257 T HA 0.588 4.954 4.350 0.027 0.000 0.280 257 T C -0.517 174.198 174.700 0.025 0.000 0.987 257 T CA -0.319 61.850 62.100 0.115 0.000 0.966 257 T CB 1.531 70.508 68.868 0.182 0.000 0.933 257 T HN 0.342 nan 8.240 nan 0.000 0.442 258 V N 4.069 123.977 119.914 -0.010 0.000 2.409 258 V HA 0.632 4.768 4.120 0.027 0.000 0.291 258 V C 0.101 176.192 176.094 -0.005 0.000 1.020 258 V CA -0.803 61.488 62.300 -0.015 0.000 0.848 258 V CB 1.607 33.412 31.823 -0.030 0.000 0.990 258 V HN 1.039 nan 8.190 nan 0.000 0.430 259 S N 5.274 120.993 115.700 0.030 0.000 2.532 259 S HA 0.881 5.367 4.470 0.027 0.000 0.301 259 S C -1.039 173.573 174.600 0.020 0.000 1.083 259 S CA -0.780 57.411 58.200 -0.014 0.000 1.025 259 S CB 2.192 65.408 63.200 0.026 0.000 1.056 259 S HN 0.574 nan 8.310 nan 0.000 0.494 260 L N 1.999 123.145 121.223 -0.129 0.000 2.362 260 L HA 0.820 5.177 4.340 0.027 0.000 0.275 260 L C -2.055 174.743 176.870 -0.120 0.000 0.998 260 L CA -0.296 54.564 54.840 0.034 0.000 0.820 260 L CB 1.123 43.216 42.059 0.057 0.000 1.270 260 L HN 0.907 nan 8.230 nan 0.000 0.415 261 W N 3.491 124.897 121.300 0.177 0.000 2.844 261 W HA 0.598 5.274 4.660 0.027 0.000 0.340 261 W C -0.580 176.039 176.519 0.166 0.000 1.093 261 W CA -0.476 56.951 57.345 0.137 0.000 1.212 261 W CB 1.521 31.013 29.460 0.053 0.000 1.422 261 W HN 0.300 nan 8.180 nan 0.000 0.515 262 Q N 2.116 122.082 119.800 0.278 0.000 2.413 262 Q HA 0.442 4.798 4.340 0.027 0.000 0.258 262 Q C 0.635 176.661 176.000 0.043 0.000 1.037 262 Q CA 0.517 56.296 55.803 -0.039 0.000 0.764 262 Q CB 1.244 29.891 28.738 -0.152 0.000 1.217 262 Q HN 0.806 nan 8.270 nan 0.000 0.490 263 G N 3.977 112.798 108.800 0.034 0.000 2.556 263 G HA2 -0.336 3.640 3.960 0.027 0.000 0.283 263 G HA3 -0.336 3.640 3.960 0.027 0.000 0.283 263 G C 0.413 175.383 174.900 0.116 0.000 1.177 263 G CA 0.401 45.525 45.100 0.039 0.000 0.978 263 G HN 0.668 nan 8.290 nan 0.000 0.554 264 E N 0.959 121.224 120.200 0.108 0.000 2.479 264 E HA 0.171 4.537 4.350 0.027 0.000 0.193 264 E C 0.286 177.079 176.600 0.321 0.000 1.049 264 E CA 0.553 57.047 56.400 0.157 0.000 0.870 264 E CB 0.279 30.017 29.700 0.062 0.000 0.944 264 E HN 0.366 nan 8.360 nan 0.000 0.492 265 T N 1.332 116.055 114.554 0.282 0.000 2.795 265 T HA 0.141 4.507 4.350 0.027 0.000 0.282 265 T C -0.141 174.613 174.700 0.089 0.000 0.980 265 T CA -0.409 61.801 62.100 0.184 0.000 1.012 265 T CB 1.932 70.845 68.868 0.074 0.000 0.936 265 T HN -0.006 nan 8.240 nan 0.000 0.457 266 Q N 2.714 122.350 119.800 -0.274 0.000 2.295 266 Q HA 0.274 4.630 4.340 0.027 0.000 0.259 266 Q C 0.366 176.136 176.000 -0.384 0.000 0.976 266 Q CA -0.315 54.999 55.803 -0.815 0.000 0.923 266 Q CB 0.831 28.912 28.738 -1.095 0.000 1.185 266 Q HN 0.549 nan 8.270 nan 0.000 0.410 267 V N 2.718 122.457 119.914 -0.292 0.000 2.685 267 V HA 0.263 4.400 4.120 0.027 0.000 0.244 267 V C 0.278 176.278 176.094 -0.156 0.000 1.054 267 V CA 1.250 63.475 62.300 -0.126 0.000 1.076 267 V CB 0.430 32.267 31.823 0.023 0.000 0.725 267 V HN 0.810 nan 8.190 nan 0.000 0.467 268 A N -1.218 121.475 122.820 -0.211 0.000 2.601 268 A HA 0.776 5.112 4.320 0.027 0.000 0.291 268 A C -0.810 176.664 177.584 -0.183 0.000 1.075 268 A CA 0.145 52.086 52.037 -0.161 0.000 0.671 268 A CB 1.805 20.744 19.000 -0.103 0.000 1.277 268 A HN 0.120 nan 8.150 nan 0.000 0.417 269 S N -1.030 114.591 115.700 -0.130 0.000 2.537 269 S HA 0.789 5.275 4.470 0.027 0.000 0.271 269 S C -0.635 173.924 174.600 -0.068 0.000 1.148 269 S CA 0.263 58.399 58.200 -0.107 0.000 0.868 269 S CB 1.592 64.717 63.200 -0.125 0.000 1.115 269 S HN 2.415 nan 8.310 nan 0.000 0.461 270 G N 1.596 110.367 108.800 -0.047 0.000 2.746 270 G HA2 0.636 4.612 3.960 0.027 0.000 0.297 270 G HA3 0.636 4.612 3.960 0.027 0.000 0.297 270 G C -1.384 173.501 174.900 -0.026 0.000 1.426 270 G CA -0.410 44.666 45.100 -0.039 0.000 0.989 270 G HN 0.727 nan 8.290 nan 0.000 0.520 271 T N -0.055 114.486 114.554 -0.022 0.000 2.876 271 T HA 0.855 5.221 4.350 0.027 0.000 0.289 271 T C -0.325 174.341 174.700 -0.056 0.000 1.014 271 T CA -0.056 62.036 62.100 -0.012 0.000 0.986 271 T CB 1.827 70.723 68.868 0.047 0.000 1.021 271 T HN 1.523 nan 8.240 nan 0.000 0.458 272 A N 3.505 126.257 122.820 -0.114 0.000 2.604 272 A HA 0.893 5.229 4.320 0.027 0.000 0.295 272 A C -3.083 174.368 177.584 -0.222 0.000 1.067 272 A CA -1.584 50.369 52.037 -0.140 0.000 0.683 272 A CB 1.387 20.302 19.000 -0.143 0.000 1.281 272 A HN 0.532 nan 8.150 nan 0.000 0.407 273 P HA 0.516 nan 4.420 nan 0.000 0.278 273 P C -0.587 176.597 177.300 -0.193 0.000 1.258 273 P CA -0.243 62.771 63.100 -0.144 0.000 0.811 273 P CB 0.402 32.078 31.700 -0.040 0.000 1.063 274 F N 0.019 119.930 119.950 -0.066 0.000 2.490 274 F HA 0.454 4.997 4.527 0.026 0.000 0.336 274 F C 1.500 177.283 175.800 -0.030 0.000 1.178 274 F CA 1.631 59.602 58.000 -0.047 0.000 1.301 274 F CB 0.112 39.078 39.000 -0.056 0.000 1.175 274 F HN 0.584 nan 8.300 nan 0.000 0.593 275 G N 1.398 110.325 108.800 0.213 0.000 2.648 275 G HA2 0.383 4.359 3.960 0.027 0.000 0.317 275 G HA3 0.383 4.359 3.960 0.027 0.000 0.317 275 G C -0.528 174.427 174.900 0.090 0.000 1.216 275 G CA -0.710 44.465 45.100 0.124 0.000 1.210 275 G HN 1.021 nan 8.290 nan 0.000 0.583 276 G N 0.742 109.615 108.800 0.123 0.000 2.528 276 G HA2 0.701 4.677 3.960 0.027 0.000 0.289 276 G HA3 0.701 4.677 3.960 0.027 0.000 0.289 276 G C 0.456 175.401 174.900 0.075 0.000 1.192 276 G CA 0.002 45.165 45.100 0.104 0.000 0.921 276 G HN 1.073 nan 8.290 nan 0.000 0.512 277 E N -0.392 119.845 120.200 0.061 0.000 2.409 277 E HA 0.066 4.432 4.350 0.027 0.000 0.257 277 E C -0.151 176.476 176.600 0.045 0.000 1.150 277 E CA -0.672 55.753 56.400 0.042 0.000 0.942 277 E CB 0.559 30.279 29.700 0.033 0.000 0.979 277 E HN 0.087 nan 8.360 nan 0.000 0.447 278 I N 2.175 122.759 120.570 0.022 0.000 2.752 278 I HA -0.150 4.036 4.170 0.027 0.000 0.289 278 I C 1.193 177.321 176.117 0.018 0.000 1.197 278 I CA 0.193 61.498 61.300 0.009 0.000 1.432 278 I CB -0.028 37.973 38.000 0.001 0.000 1.359 278 I HN 0.686 nan 8.210 nan 0.000 0.571 279 I N 3.825 124.399 120.570 0.006 0.000 3.300 279 I HA 0.052 4.238 4.170 0.027 0.000 0.279 279 I C 0.606 176.724 176.117 0.002 0.000 1.172 279 I CA 0.858 62.173 61.300 0.024 0.000 1.431 279 I CB -0.327 37.691 38.000 0.031 0.000 1.240 279 I HN 0.656 nan 8.210 nan 0.000 0.453 280 D N -1.342 119.044 120.400 -0.022 0.000 2.946 280 D HA 0.107 4.763 4.640 0.027 0.000 0.337 280 D C 0.414 176.699 176.300 -0.026 0.000 1.332 280 D CA -0.386 53.603 54.000 -0.019 0.000 0.935 280 D CB 0.491 41.279 40.800 -0.020 0.000 1.440 280 D HN -0.262 nan 8.370 nan 0.000 0.540 281 E N -1.024 119.163 120.200 -0.023 0.000 2.267 281 E HA -0.062 4.304 4.350 0.027 0.000 0.197 281 E C 1.371 177.952 176.600 -0.031 0.000 0.998 281 E CA 1.014 57.401 56.400 -0.022 0.000 0.830 281 E CB -0.029 29.661 29.700 -0.017 0.000 0.751 281 E HN 0.206 nan 8.360 nan 0.000 0.491 282 R N -0.442 120.031 120.500 -0.045 0.000 2.334 282 R HA 0.284 4.640 4.340 0.027 0.000 0.216 282 R C 0.828 177.087 176.300 -0.069 0.000 0.905 282 R CA 0.720 56.786 56.100 -0.056 0.000 1.064 282 R CB 0.703 30.962 30.300 -0.067 0.000 1.046 282 R HN 0.211 nan 8.270 nan 0.000 0.508 283 G N -0.687 108.074 108.800 -0.066 0.000 2.341 283 G HA2 -0.068 3.908 3.960 0.027 0.000 0.196 283 G HA3 -0.068 3.908 3.960 0.027 0.000 0.196 283 G C -0.329 174.517 174.900 -0.091 0.000 1.231 283 G CA -0.627 44.433 45.100 -0.067 0.000 1.155 283 G HN 0.436 nan 8.290 nan 0.000 0.529 284 G N -1.964 106.778 108.800 -0.096 0.000 3.211 284 G HA2 0.648 4.624 3.960 0.027 0.000 0.262 284 G HA3 0.648 4.624 3.960 0.027 0.000 0.262 284 G C -1.626 173.166 174.900 -0.179 0.000 1.352 284 G CA -0.752 44.296 45.100 -0.087 0.000 1.004 284 G HN 0.752 nan 8.290 nan 0.000 0.559 285 Y N 0.863 121.175 120.300 0.020 0.000 2.425 285 Y HA 0.442 5.008 4.550 0.026 0.000 0.347 285 Y C 1.374 177.295 175.900 0.036 0.000 0.976 285 Y CA 0.093 58.207 58.100 0.024 0.000 1.190 285 Y CB 1.787 40.267 38.460 0.034 0.000 1.136 285 Y HN 0.539 nan 8.280 nan 0.000 0.517 286 A N 1.733 124.619 122.820 0.111 0.000 2.119 286 A HA -0.127 4.209 4.320 0.027 0.000 0.217 286 A C 1.438 179.081 177.584 0.099 0.000 1.153 286 A CA 1.310 53.398 52.037 0.084 0.000 0.692 286 A CB -0.273 18.738 19.000 0.018 0.000 0.799 286 A HN 0.794 nan 8.150 nan 0.000 0.458 287 D N -0.805 119.651 120.400 0.094 0.000 2.325 287 D HA 0.098 4.754 4.640 0.027 0.000 0.225 287 D C 0.559 176.932 176.300 0.123 0.000 1.096 287 D CA 0.020 54.001 54.000 -0.032 0.000 0.844 287 D CB -0.027 40.738 40.800 -0.060 0.000 0.925 287 D HN 0.386 nan 8.370 nan 0.000 0.513 288 R N -0.843 119.849 120.500 0.319 0.000 2.836 288 R HA 0.741 5.097 4.340 0.027 0.000 0.269 288 R C -1.587 174.882 176.300 0.282 0.000 1.010 288 R CA -1.140 55.152 56.100 0.319 0.000 0.930 288 R CB 3.012 33.369 30.300 0.096 0.000 1.218 288 R HN -0.027 nan 8.270 nan 0.000 0.473 289 V N 0.341 120.306 119.914 0.084 0.000 2.932 289 V HA 0.480 4.616 4.120 0.027 0.000 0.307 289 V C -1.450 174.597 176.094 -0.078 0.000 1.147 289 V CA -0.307 61.946 62.300 -0.079 0.000 0.951 289 V CB 2.726 34.356 31.823 -0.322 0.000 1.031 289 V HN 0.803 nan 8.190 nan 0.000 0.426 290 T N 7.426 121.943 114.554 -0.061 0.000 2.791 290 T HA 0.555 4.921 4.350 0.027 0.000 0.288 290 T C -0.806 173.858 174.700 -0.059 0.000 0.999 290 T CA -0.378 61.693 62.100 -0.049 0.000 0.952 290 T CB 0.910 69.763 68.868 -0.024 0.000 0.938 290 T HN 0.409 nan 8.240 nan 0.000 0.444 291 L N 3.816 125.003 121.223 -0.060 0.000 2.307 291 L HA 0.551 4.908 4.340 0.027 0.000 0.282 291 L C 0.547 177.391 176.870 -0.043 0.000 1.051 291 L CA -0.295 54.510 54.840 -0.058 0.000 0.804 291 L CB 1.137 43.160 42.059 -0.060 0.000 1.197 291 L HN 0.518 nan 8.230 nan 0.000 0.431 292 R N 4.656 125.131 120.500 -0.042 0.000 2.439 292 R HA 0.652 5.009 4.340 0.027 0.000 0.310 292 R C -1.182 175.093 176.300 -0.041 0.000 0.955 292 R CA -0.719 55.357 56.100 -0.041 0.000 0.853 292 R CB 2.058 32.335 30.300 -0.039 0.000 1.171 292 R HN 0.483 nan 8.270 nan 0.000 0.449 293 L N 2.980 124.180 121.223 -0.039 0.000 2.356 293 L HA 0.434 4.791 4.340 0.027 0.000 0.277 293 L C -0.448 176.398 176.870 -0.040 0.000 0.996 293 L CA -1.048 53.769 54.840 -0.039 0.000 0.822 293 L CB 2.002 44.042 42.059 -0.032 0.000 1.256 293 L HN 0.493 nan 8.230 nan 0.000 0.413 294 N N 1.696 120.366 118.700 -0.050 0.000 2.499 294 N HA 0.468 5.224 4.740 0.027 0.000 0.281 294 N C -1.034 174.431 175.510 -0.076 0.000 1.098 294 N CA -0.325 52.690 53.050 -0.058 0.000 0.979 294 N CB 1.860 40.316 38.487 -0.053 0.000 1.121 294 N HN 0.198 nan 8.380 nan 0.000 0.466 295 V N 1.705 121.559 119.914 -0.101 0.000 2.482 295 V HA 0.263 4.399 4.120 0.027 0.000 0.295 295 V C -0.450 175.562 176.094 -0.137 0.000 1.026 295 V CA -0.825 61.373 62.300 -0.169 0.000 0.856 295 V CB 1.424 33.034 31.823 -0.355 0.000 1.001 295 V HN 0.570 nan 8.190 nan 0.000 0.424 296 E N 2.931 123.075 120.200 -0.094 0.000 2.249 296 E HA 0.334 4.700 4.350 0.027 0.000 0.280 296 E C 0.259 176.835 176.600 -0.040 0.000 1.016 296 E CA -0.391 55.979 56.400 -0.050 0.000 0.830 296 E CB 0.835 30.516 29.700 -0.032 0.000 1.081 296 E HN 0.748 nan 8.360 nan 0.000 0.395 297 N N 1.051 119.750 118.700 -0.002 0.000 2.714 297 N HA -0.154 4.602 4.740 0.027 0.000 0.252 297 N C -2.485 173.030 175.510 0.009 0.000 1.014 297 N CA 0.199 53.264 53.050 0.025 0.000 0.735 297 N CB -1.113 37.392 38.487 0.029 0.000 0.924 297 N HN 0.308 nan 8.380 nan 0.000 0.540 298 P HA -0.015 nan 4.420 nan 0.000 0.267 298 P C -0.412 176.930 177.300 0.069 0.000 1.200 298 P CA 0.393 63.411 63.100 -0.138 0.000 0.772 298 P CB 0.687 32.147 31.700 -0.401 0.000 0.855 299 K N 2.736 123.256 120.400 0.200 0.000 2.338 299 K HA 0.264 4.600 4.320 0.027 0.000 0.290 299 K C 0.277 177.042 176.600 0.275 0.000 1.069 299 K CA -0.345 56.056 56.287 0.190 0.000 0.941 299 K CB 0.106 32.694 32.500 0.146 0.000 1.023 299 K HN 0.421 nan 8.250 nan 0.000 0.477 300 L N 2.562 123.883 121.223 0.163 0.000 2.417 300 L HA 0.246 4.602 4.340 0.027 0.000 0.268 300 L C 0.119 177.083 176.870 0.157 0.000 1.158 300 L CA -0.679 54.263 54.840 0.171 0.000 0.819 300 L CB 0.391 42.386 42.059 -0.107 0.000 1.112 300 L HN 0.620 nan 8.230 nan 0.000 0.458 301 W N 3.060 124.397 121.300 0.062 0.000 2.381 301 W HA 0.457 5.132 4.660 0.025 0.000 0.329 301 W C -0.025 176.441 176.519 -0.089 0.000 1.157 301 W CA 0.117 57.479 57.345 0.029 0.000 1.240 301 W CB 1.311 30.840 29.460 0.116 0.000 1.199 301 W HN 0.599 nan 8.180 nan 0.000 0.579 302 S N 2.771 117.927 115.700 -0.907 0.000 2.611 302 S HA 0.602 5.088 4.470 0.027 0.000 0.268 302 S C -0.030 173.788 174.600 -1.304 0.000 1.156 302 S CA -0.368 57.330 58.200 -0.836 0.000 0.817 302 S CB 1.043 64.017 63.200 -0.376 0.000 1.122 302 S HN 1.065 nan 8.310 nan 0.000 0.466 303 A N 0.447 122.673 122.820 -0.991 0.000 2.066 303 A HA 0.093 4.429 4.320 0.027 0.000 0.218 303 A C 1.725 178.978 177.584 -0.551 0.000 1.157 303 A CA 1.365 52.827 52.037 -0.958 0.000 0.670 303 A CB -0.890 17.459 19.000 -1.085 0.000 0.804 303 A HN 0.868 nan 8.150 nan 0.000 0.453 304 E N -0.771 119.235 120.200 -0.324 0.000 2.046 304 E HA 0.057 4.423 4.350 0.027 0.000 0.190 304 E C -0.221 176.225 176.600 -0.256 0.000 0.982 304 E CA 0.721 56.987 56.400 -0.222 0.000 0.800 304 E CB 0.038 29.736 29.700 -0.002 0.000 0.756 304 E HN 0.576 nan 8.360 nan 0.000 0.449 305 I N 1.719 122.117 120.570 -0.287 0.000 2.560 305 I HA 0.143 4.330 4.170 0.027 0.000 0.278 305 I C -2.480 173.415 176.117 -0.371 0.000 1.089 305 I CA -1.848 59.308 61.300 -0.240 0.000 1.086 305 I CB 2.340 40.253 38.000 -0.145 0.000 1.202 305 I HN -0.200 nan 8.210 nan 0.000 0.471 306 P HA 0.059 nan 4.420 nan 0.000 0.225 306 P C -0.565 176.722 177.300 -0.021 0.000 1.768 306 P CA -0.189 62.599 63.100 -0.520 0.000 0.943 306 P CB -0.317 31.248 31.700 -0.224 0.000 1.936 307 N N 1.593 120.307 118.700 0.024 0.000 2.454 307 N HA 0.127 4.883 4.740 0.027 0.000 0.260 307 N C 0.107 175.835 175.510 0.363 0.000 1.218 307 N CA 0.440 53.578 53.050 0.147 0.000 0.904 307 N CB 0.783 39.353 38.487 0.138 0.000 1.065 307 N HN 0.291 nan 8.380 nan 0.000 0.462 308 L N 2.429 123.786 121.223 0.223 0.000 2.370 308 L HA 0.472 4.828 4.340 0.027 0.000 0.266 308 L C -0.730 176.223 176.870 0.139 0.000 1.002 308 L CA -0.862 54.152 54.840 0.291 0.000 0.818 308 L CB 1.226 43.424 42.059 0.233 0.000 1.325 308 L HN 0.382 nan 8.230 nan 0.000 0.418 309 Y N 0.407 120.863 120.300 0.261 0.000 2.631 309 Y HA 0.665 5.232 4.550 0.027 0.000 0.328 309 Y C -0.133 175.890 175.900 0.205 0.000 1.118 309 Y CA -0.871 57.383 58.100 0.256 0.000 1.206 309 Y CB 1.466 40.145 38.460 0.365 0.000 1.337 309 Y HN 0.380 nan 8.280 nan 0.000 0.515 310 R N 0.889 121.619 120.500 0.384 0.000 2.439 310 R HA 0.769 5.125 4.340 0.027 0.000 0.310 310 R C -1.590 174.896 176.300 0.309 0.000 0.955 310 R CA -0.507 55.751 56.100 0.263 0.000 0.853 310 R CB 1.008 31.400 30.300 0.152 0.000 1.171 310 R HN 0.737 nan 8.270 nan 0.000 0.449 311 A N 3.766 126.713 122.820 0.212 0.000 2.274 311 A HA 0.600 4.936 4.320 0.027 0.000 0.309 311 A C -0.919 176.721 177.584 0.094 0.000 1.226 311 A CA -0.570 51.567 52.037 0.166 0.000 0.853 311 A CB 1.116 20.186 19.000 0.116 0.000 1.146 311 A HN 0.488 nan 8.150 nan 0.000 0.518 312 V N 3.731 123.702 119.914 0.095 0.000 2.409 312 V HA 0.353 4.489 4.120 0.027 0.000 0.291 312 V C -0.432 175.636 176.094 -0.043 0.000 1.020 312 V CA -0.457 61.843 62.300 -0.000 0.000 0.848 312 V CB 1.711 33.565 31.823 0.052 0.000 0.990 312 V HN 0.630 nan 8.190 nan 0.000 0.430 313 V N 5.070 124.891 119.914 -0.155 0.000 2.328 313 V HA 0.419 4.556 4.120 0.027 0.000 0.278 313 V C -0.011 176.026 176.094 -0.096 0.000 1.021 313 V CA -0.567 61.623 62.300 -0.182 0.000 0.838 313 V CB 1.280 32.840 31.823 -0.438 0.000 0.999 313 V HN 0.900 nan 8.190 nan 0.000 0.447 314 E N 3.826 124.021 120.200 -0.007 0.000 2.166 314 E HA 0.497 4.863 4.350 0.027 0.000 0.275 314 E C -1.048 175.644 176.600 0.154 0.000 0.941 314 E CA -0.876 55.569 56.400 0.075 0.000 0.784 314 E CB 2.450 32.215 29.700 0.108 0.000 1.115 314 E HN 0.442 nan 8.360 nan 0.000 0.399 315 L N 4.719 126.016 121.223 0.124 0.000 2.272 315 L HA 0.388 4.744 4.340 0.027 0.000 0.289 315 L C -0.955 176.025 176.870 0.184 0.000 1.032 315 L CA 0.106 55.011 54.840 0.108 0.000 0.810 315 L CB 0.012 42.117 42.059 0.077 0.000 1.205 315 L HN 0.689 nan 8.230 nan 0.000 0.422 316 H N 0.212 119.324 119.070 0.070 0.000 2.928 316 H HA 0.802 5.374 4.556 0.027 0.000 0.285 316 H C -0.792 174.607 175.328 0.118 0.000 1.438 316 H CA -0.546 55.544 56.048 0.072 0.000 1.176 316 H CB 0.772 30.557 29.762 0.039 0.000 1.864 316 H HN 0.475 nan 8.280 nan 0.000 0.567 317 T N -2.237 112.462 114.554 0.242 0.000 2.944 317 T HA 0.574 4.940 4.350 0.027 0.000 0.284 317 T C 1.352 176.189 174.700 0.229 0.000 1.010 317 T CA -0.418 61.806 62.100 0.206 0.000 1.025 317 T CB 1.643 70.566 68.868 0.093 0.000 1.079 317 T HN 0.921 nan 8.240 nan 0.000 0.516 318 A N 1.271 124.193 122.820 0.171 0.000 1.978 318 A HA -0.103 4.234 4.320 0.027 0.000 0.220 318 A C 1.889 179.542 177.584 0.115 0.000 1.170 318 A CA 1.873 53.995 52.037 0.143 0.000 0.636 318 A CB -1.082 17.989 19.000 0.118 0.000 0.810 318 A HN 0.988 nan 8.150 nan 0.000 0.448 319 D N -2.088 118.351 120.400 0.064 0.000 2.363 319 D HA 0.241 4.897 4.640 0.027 0.000 0.226 319 D C 1.123 177.445 176.300 0.037 0.000 1.020 319 D CA 1.133 55.149 54.000 0.028 0.000 0.892 319 D CB -0.495 40.293 40.800 -0.020 0.000 0.900 319 D HN 0.862 nan 8.370 nan 0.000 0.531 320 G N -1.120 107.731 108.800 0.085 0.000 2.168 320 G HA2 -0.194 3.782 3.960 0.027 0.000 0.197 320 G HA3 -0.194 3.782 3.960 0.027 0.000 0.197 320 G C 0.160 175.076 174.900 0.026 0.000 0.997 320 G CA 0.051 45.173 45.100 0.038 0.000 0.658 320 G HN 0.412 nan 8.290 nan 0.000 0.513 321 T N 1.561 116.149 114.554 0.057 0.000 2.817 321 T HA 0.538 4.904 4.350 0.027 0.000 0.293 321 T C 0.258 175.010 174.700 0.088 0.000 0.964 321 T CA -0.242 61.883 62.100 0.042 0.000 1.085 321 T CB 1.993 70.874 68.868 0.022 0.000 0.921 321 T HN 0.535 nan 8.240 nan 0.000 0.502 322 L N 4.606 125.860 121.223 0.051 0.000 2.367 322 L HA 0.349 4.705 4.340 0.027 0.000 0.275 322 L C 0.764 177.681 176.870 0.078 0.000 1.129 322 L CA 0.369 55.254 54.840 0.075 0.000 0.839 322 L CB 0.101 42.178 42.059 0.031 0.000 1.133 322 L HN 0.707 nan 8.230 nan 0.000 0.453 323 I N 2.557 123.187 120.570 0.101 0.000 2.512 323 I HA 0.124 4.310 4.170 0.027 0.000 0.247 323 I C 0.334 176.477 176.117 0.043 0.000 1.094 323 I CA 0.514 61.855 61.300 0.068 0.000 1.427 323 I CB 0.109 38.154 38.000 0.075 0.000 1.149 323 I HN 0.814 nan 8.210 nan 0.000 0.438 324 E N 0.104 120.332 120.200 0.045 0.000 2.432 324 E HA 0.709 5.075 4.350 0.027 0.000 0.279 324 E C -1.537 175.089 176.600 0.044 0.000 1.099 324 E CA -1.094 55.325 56.400 0.033 0.000 0.859 324 E CB 1.680 31.366 29.700 -0.023 0.000 1.402 324 E HN -0.006 nan 8.360 nan 0.000 0.451 325 A N 0.837 123.706 122.820 0.082 0.000 2.475 325 A HA 0.720 5.056 4.320 0.027 0.000 0.301 325 A C -1.079 176.617 177.584 0.187 0.000 1.059 325 A CA -0.709 51.381 52.037 0.088 0.000 0.710 325 A CB 1.793 20.849 19.000 0.094 0.000 1.288 325 A HN 0.499 nan 8.150 nan 0.000 0.408 326 E N -0.451 119.788 120.200 0.065 0.000 2.393 326 E HA 0.875 5.241 4.350 0.027 0.000 0.265 326 E C -0.468 176.160 176.600 0.047 0.000 0.941 326 E CA -0.374 56.117 56.400 0.152 0.000 0.801 326 E CB 2.357 32.004 29.700 -0.088 0.000 1.313 326 E HN 1.389 nan 8.360 nan 0.000 0.435 327 A N -0.317 122.625 122.820 0.202 0.000 2.544 327 A HA 0.663 4.999 4.320 0.027 0.000 0.291 327 A C -1.248 176.521 177.584 0.309 0.000 1.055 327 A CA -0.280 51.806 52.037 0.082 0.000 0.651 327 A CB 0.447 19.432 19.000 -0.025 0.000 1.296 327 A HN 0.896 nan 8.150 nan 0.000 0.431 328 C N -0.753 118.691 119.300 0.239 0.000 3.321 328 C HA 0.832 5.308 4.460 0.027 0.000 0.329 328 C C -1.371 173.715 174.990 0.161 0.000 1.394 328 C CA -0.907 58.257 59.018 0.243 0.000 1.291 328 C CB 1.088 28.997 27.740 0.281 0.000 1.606 328 C HN 0.830 nan 8.230 nan 0.000 0.463 329 D N 0.902 121.379 120.400 0.129 0.000 2.302 329 D HA 0.571 5.227 4.640 0.027 0.000 0.248 329 D C -0.432 175.924 176.300 0.094 0.000 1.094 329 D CA 0.160 54.238 54.000 0.129 0.000 0.897 329 D CB 1.840 42.718 40.800 0.130 0.000 1.200 329 D HN 0.550 nan 8.370 nan 0.000 0.429 330 V N 1.096 121.095 119.914 0.141 0.000 2.540 330 V HA 0.657 4.793 4.120 0.027 0.000 0.302 330 V C 0.527 176.700 176.094 0.131 0.000 1.035 330 V CA -0.867 61.464 62.300 0.052 0.000 0.873 330 V CB 2.059 33.896 31.823 0.023 0.000 0.992 330 V HN 0.605 nan 8.190 nan 0.000 0.428 331 G N 3.043 111.812 108.800 -0.052 0.000 2.487 331 G HA2 0.609 4.585 3.960 0.027 0.000 0.314 331 G HA3 0.609 4.585 3.960 0.027 0.000 0.314 331 G C -1.003 173.977 174.900 0.134 0.000 1.267 331 G CA -0.395 44.757 45.100 0.087 0.000 0.937 331 G HN 0.427 nan 8.290 nan 0.000 0.481 332 F N 3.984 124.133 119.950 0.332 0.000 2.462 332 F HA 0.433 4.975 4.527 0.027 0.000 0.360 332 F C 1.156 177.212 175.800 0.426 0.000 1.134 332 F CA -0.036 58.219 58.000 0.425 0.000 1.148 332 F CB 0.639 39.900 39.000 0.435 0.000 1.147 332 F HN 0.461 nan 8.300 nan 0.000 0.550 333 R N 3.057 123.834 120.500 0.462 0.000 2.663 333 R HA 0.423 4.779 4.340 0.027 0.000 0.267 333 R C -1.891 174.559 176.300 0.250 0.000 1.038 333 R CA -0.804 55.412 56.100 0.192 0.000 0.886 333 R CB 1.634 32.092 30.300 0.264 0.000 1.249 333 R HN 0.581 nan 8.270 nan 0.000 0.463 334 E N 1.867 122.119 120.200 0.087 0.000 2.199 334 E HA 0.518 4.884 4.350 0.027 0.000 0.269 334 E C -1.279 175.388 176.600 0.112 0.000 0.899 334 E CA -0.972 55.558 56.400 0.217 0.000 0.772 334 E CB 2.247 32.163 29.700 0.360 0.000 1.155 334 E HN 0.392 nan 8.360 nan 0.000 0.408 335 V N 5.032 125.009 119.914 0.105 0.000 2.487 335 V HA 0.610 4.746 4.120 0.027 0.000 0.298 335 V C -0.280 175.854 176.094 0.066 0.000 1.028 335 V CA -0.679 61.654 62.300 0.055 0.000 0.860 335 V CB 1.435 33.270 31.823 0.020 0.000 0.991 335 V HN 0.763 nan 8.190 nan 0.000 0.427 336 R N 4.187 124.720 120.500 0.056 0.000 2.692 336 R HA 0.706 5.062 4.340 0.027 0.000 0.269 336 R C -2.226 174.101 176.300 0.044 0.000 1.030 336 R CA -0.916 55.221 56.100 0.062 0.000 0.882 336 R CB 1.915 32.268 30.300 0.088 0.000 1.250 336 R HN 0.531 nan 8.270 nan 0.000 0.465 337 I N 1.198 121.794 120.570 0.043 0.000 2.378 337 I HA 0.358 4.544 4.170 0.027 0.000 0.291 337 I C -0.712 175.427 176.117 0.038 0.000 0.992 337 I CA -0.520 60.800 61.300 0.033 0.000 1.154 337 I CB 1.963 39.984 38.000 0.034 0.000 1.315 337 I HN 0.690 nan 8.210 nan 0.000 0.448 338 E N 5.672 125.890 120.200 0.031 0.000 2.263 338 E HA 0.263 4.629 4.350 0.027 0.000 0.268 338 E C -0.229 176.385 176.600 0.023 0.000 0.884 338 E CA -0.502 55.918 56.400 0.033 0.000 0.766 338 E CB 0.996 30.722 29.700 0.043 0.000 1.196 338 E HN 0.541 nan 8.360 nan 0.000 0.416 339 N N 3.311 122.024 118.700 0.023 0.000 2.725 339 N HA -0.234 4.522 4.740 0.027 0.000 0.249 339 N C 0.409 175.925 175.510 0.010 0.000 1.103 339 N CA 2.037 55.096 53.050 0.016 0.000 0.707 339 N CB -1.140 37.356 38.487 0.014 0.000 1.043 339 N HN 0.958 nan 8.380 nan 0.000 0.553 340 G N -2.277 106.530 108.800 0.010 0.000 2.157 340 G HA2 -0.263 3.713 3.960 0.027 0.000 0.248 340 G HA3 -0.263 3.713 3.960 0.027 0.000 0.248 340 G C -0.155 174.740 174.900 -0.008 0.000 0.979 340 G CA 0.407 45.509 45.100 0.003 0.000 0.650 340 G HN 0.450 nan 8.290 nan 0.000 0.529 341 L N -0.025 121.194 121.223 -0.007 0.000 2.362 341 L HA 0.701 5.057 4.340 0.027 0.000 0.271 341 L C 0.022 176.881 176.870 -0.019 0.000 1.002 341 L CA -1.308 53.519 54.840 -0.021 0.000 0.818 341 L CB 1.964 44.011 42.059 -0.020 0.000 1.298 341 L HN 0.109 nan 8.230 nan 0.000 0.420 342 L N 4.356 125.557 121.223 -0.038 0.000 2.281 342 L HA 0.445 4.801 4.340 0.027 0.000 0.285 342 L C -0.891 175.953 176.870 -0.044 0.000 1.074 342 L CA 0.373 55.191 54.840 -0.037 0.000 0.817 342 L CB 0.370 42.395 42.059 -0.056 0.000 1.168 342 L HN 0.383 nan 8.230 nan 0.000 0.434 343 L N 5.987 127.199 121.223 -0.018 0.000 2.334 343 L HA 0.555 4.911 4.340 0.027 0.000 0.276 343 L C -0.836 176.029 176.870 -0.008 0.000 1.014 343 L CA -0.836 53.999 54.840 -0.009 0.000 0.815 343 L CB 1.885 43.961 42.059 0.028 0.000 1.268 343 L HN 0.548 nan 8.230 nan 0.000 0.428 344 L N 3.850 125.073 121.223 0.000 0.000 2.349 344 L HA 0.490 4.846 4.340 0.027 0.000 0.278 344 L C -0.207 176.649 176.870 -0.023 0.000 0.996 344 L CA 0.002 54.845 54.840 0.005 0.000 0.825 344 L CB 0.977 43.044 42.059 0.013 0.000 1.243 344 L HN 0.612 nan 8.230 nan 0.000 0.412 345 N N 3.966 122.503 118.700 -0.272 0.000 2.735 345 N HA -0.216 4.540 4.740 0.027 0.000 0.248 345 N C 0.913 175.998 175.510 -0.707 0.000 1.083 345 N CA 1.317 53.849 53.050 -0.862 0.000 0.703 345 N CB -1.425 36.476 38.487 -0.976 0.000 1.005 345 N HN 1.195 nan 8.380 nan 0.000 0.550 346 G N -2.006 106.680 108.800 -0.190 0.000 2.184 346 G HA2 -0.353 3.623 3.960 0.027 0.000 0.264 346 G HA3 -0.353 3.623 3.960 0.027 0.000 0.264 346 G C -0.068 174.850 174.900 0.030 0.000 0.975 346 G CA 0.965 46.098 45.100 0.055 0.000 0.642 346 G HN 0.432 nan 8.290 nan 0.000 0.536 347 K N 0.544 120.953 120.400 0.014 0.000 2.318 347 K HA 0.554 4.890 4.320 0.027 0.000 0.249 347 K C -2.883 173.684 176.600 -0.055 0.000 0.942 347 K CA -2.175 54.088 56.287 -0.040 0.000 0.808 347 K CB 2.646 35.049 32.500 -0.161 0.000 1.189 347 K HN 0.036 nan 8.250 nan 0.000 0.428 348 P HA 0.229 nan 4.420 nan 0.000 0.282 348 P C -0.141 177.093 177.300 -0.109 0.000 1.262 348 P CA -0.301 62.750 63.100 -0.081 0.000 0.773 348 P CB 0.482 32.139 31.700 -0.072 0.000 0.879 349 L N 3.323 124.478 121.223 -0.114 0.000 2.464 349 L HA 0.272 4.628 4.340 0.027 0.000 0.264 349 L C 0.690 177.479 176.870 -0.135 0.000 1.199 349 L CA -0.469 54.292 54.840 -0.131 0.000 0.818 349 L CB 0.177 42.115 42.059 -0.202 0.000 1.102 349 L HN 0.268 nan 8.230 nan 0.000 0.473 350 L N 3.535 124.693 121.223 -0.108 0.000 2.442 350 L HA 0.409 4.765 4.340 0.027 0.000 0.261 350 L C -0.587 176.238 176.870 -0.076 0.000 1.000 350 L CA -0.226 54.538 54.840 -0.127 0.000 0.882 350 L CB 0.754 42.767 42.059 -0.077 0.000 1.207 350 L HN 0.247 nan 8.230 nan 0.000 0.443 351 I N 4.451 124.910 120.570 -0.186 0.000 2.494 351 I HA 0.163 4.349 4.170 0.027 0.000 0.289 351 I C 0.602 176.691 176.117 -0.048 0.000 1.106 351 I CA 0.321 61.529 61.300 -0.153 0.000 1.369 351 I CB 0.290 38.073 38.000 -0.362 0.000 1.410 351 I HN 0.541 nan 8.210 nan 0.000 0.523 352 R N 4.826 125.380 120.500 0.091 0.000 2.937 352 R HA 0.451 4.807 4.340 0.027 0.000 0.264 352 R C 0.526 176.951 176.300 0.208 0.000 1.334 352 R CA -0.287 55.910 56.100 0.161 0.000 1.516 352 R CB 0.861 31.077 30.300 -0.140 0.000 1.187 352 R HN 0.761 nan 8.270 nan 0.000 0.609 353 G N 0.194 109.077 108.800 0.138 0.000 2.491 353 G HA2 0.580 4.556 3.960 0.027 0.000 0.327 353 G HA3 0.580 4.556 3.960 0.027 0.000 0.327 353 G C -1.250 173.957 174.900 0.512 0.000 1.189 353 G CA -0.468 44.710 45.100 0.129 0.000 0.956 353 G HN 0.240 nan 8.290 nan 0.000 0.491 354 V N 0.095 120.294 119.914 0.476 0.000 2.932 354 V HA 0.454 4.590 4.120 0.027 0.000 0.307 354 V C -1.050 175.201 176.094 0.262 0.000 1.147 354 V CA -1.215 61.256 62.300 0.284 0.000 0.951 354 V CB 2.169 33.886 31.823 -0.177 0.000 1.031 354 V HN 0.774 nan 8.190 nan 0.000 0.426 355 N N 4.276 123.053 118.700 0.128 0.000 2.529 355 N HA 0.434 5.190 4.740 0.027 0.000 0.278 355 N C -0.704 174.658 175.510 -0.247 0.000 1.146 355 N CA -0.279 52.710 53.050 -0.100 0.000 0.980 355 N CB 1.407 39.765 38.487 -0.214 0.000 1.124 355 N HN 0.627 nan 8.380 nan 0.000 0.458 356 R N 1.975 122.290 120.500 -0.309 0.000 2.510 356 R HA 0.212 4.568 4.340 0.027 0.000 0.294 356 R C -0.960 175.136 176.300 -0.341 0.000 1.056 356 R CA -0.532 55.412 56.100 -0.259 0.000 0.918 356 R CB 0.831 30.952 30.300 -0.299 0.000 1.187 356 R HN 0.609 nan 8.270 nan 0.000 0.437 357 H N 1.964 120.917 119.070 -0.196 0.000 2.509 357 H HA 0.156 4.728 4.556 0.027 0.000 0.359 357 H C -0.486 174.848 175.328 0.010 0.000 1.253 357 H CA -0.054 55.957 56.048 -0.063 0.000 1.373 357 H CB 1.427 31.220 29.762 0.051 0.000 1.555 357 H HN 0.553 nan 8.280 nan 0.000 0.586 358 E N 1.519 121.907 120.200 0.313 0.000 1.963 358 E HA 0.110 4.476 4.350 0.027 0.000 0.274 358 E C -0.819 175.928 176.600 0.245 0.000 1.061 358 E CA 0.004 56.515 56.400 0.185 0.000 0.847 358 E CB 0.234 30.065 29.700 0.219 0.000 1.083 358 E HN 0.354 nan 8.360 nan 0.000 0.402 359 H N 1.659 120.793 119.070 0.107 0.000 2.954 359 H HA 0.259 4.831 4.556 0.027 0.000 0.361 359 H C -1.718 173.668 175.328 0.097 0.000 1.122 359 H CA -0.657 55.449 56.048 0.096 0.000 1.217 359 H CB 1.098 30.906 29.762 0.076 0.000 1.776 359 H HN 0.402 nan 8.280 nan 0.000 0.533 360 H N 6.199 124.850 119.070 -0.698 0.000 2.782 360 H HA 0.216 4.788 4.556 0.027 0.000 0.347 360 H C -2.311 172.653 175.328 -0.606 0.000 1.038 360 H CA -2.353 53.447 56.048 -0.412 0.000 1.255 360 H CB 2.777 32.433 29.762 -0.177 0.000 1.623 360 H HN 0.536 nan 8.280 nan 0.000 0.525 361 P HA -0.089 nan 4.420 nan 0.000 0.221 361 P C 1.059 178.245 177.300 -0.189 0.000 1.145 361 P CA 0.846 63.787 63.100 -0.264 0.000 0.795 361 P CB 0.797 32.380 31.700 -0.197 0.000 0.775 362 L N -2.116 119.088 121.223 -0.032 0.000 2.467 362 L HA 0.151 4.507 4.340 0.027 0.000 0.213 362 L C 2.183 178.888 176.870 -0.276 0.000 1.053 362 L CA 0.486 55.204 54.840 -0.203 0.000 0.847 362 L CB -0.592 41.236 42.059 -0.385 0.000 1.075 362 L HN -0.032 nan 8.230 nan 0.000 0.479 363 H N -0.434 118.636 119.070 0.000 0.000 2.539 363 H HA 0.262 4.834 4.556 0.027 0.000 0.269 363 H C 1.448 176.667 175.328 -0.181 0.000 0.980 363 H CA 0.213 56.140 56.048 -0.203 0.000 1.152 363 H CB 0.415 29.916 29.762 -0.435 0.000 1.407 363 H HN 0.383 nan 8.280 nan 0.000 0.564 364 G N 1.423 110.130 108.800 -0.155 0.000 2.559 364 G HA2 -0.386 3.590 3.960 0.027 0.000 0.282 364 G HA3 -0.386 3.590 3.960 0.027 0.000 0.282 364 G C 0.669 175.464 174.900 -0.175 0.000 1.177 364 G CA 0.387 45.343 45.100 -0.239 0.000 0.960 364 G HN 0.460 nan 8.290 nan 0.000 0.540 365 Q N -0.144 119.591 119.800 -0.107 0.000 2.198 365 Q HA 0.469 4.825 4.340 0.027 0.000 0.209 365 Q C 0.251 176.347 176.000 0.160 0.000 0.848 365 Q CA -0.131 55.655 55.803 -0.027 0.000 0.974 365 Q CB 1.515 30.118 28.738 -0.226 0.000 1.115 365 Q HN 0.369 nan 8.270 nan 0.000 0.494 366 V N 2.211 122.196 119.914 0.118 0.000 2.488 366 V HA 0.155 4.291 4.120 0.027 0.000 0.277 366 V C 0.209 176.347 176.094 0.073 0.000 1.046 366 V CA 0.232 62.610 62.300 0.129 0.000 0.986 366 V CB 0.842 32.675 31.823 0.016 0.000 0.989 366 V HN 0.315 nan 8.190 nan 0.000 0.475 367 M N 5.203 124.848 119.600 0.075 0.000 2.537 367 M HA 0.524 5.020 4.480 0.027 0.000 0.324 367 M C -0.376 175.875 176.300 -0.082 0.000 1.187 367 M CA -0.466 54.831 55.300 -0.005 0.000 0.993 367 M CB 1.861 34.413 32.600 -0.080 0.000 1.666 367 M HN 0.838 nan 8.290 nan 0.000 0.461 368 D N -0.054 120.310 120.400 -0.059 0.000 2.547 368 D HA 0.215 4.871 4.640 0.027 0.000 0.231 368 D C 0.032 176.319 176.300 -0.022 0.000 1.099 368 D CA -0.447 53.522 54.000 -0.052 0.000 0.901 368 D CB 2.026 42.814 40.800 -0.020 0.000 1.478 368 D HN 0.727 nan 8.370 nan 0.000 0.471 369 E N 0.190 120.388 120.200 -0.002 0.000 2.118 369 E HA -0.263 4.103 4.350 0.027 0.000 0.195 369 E C 1.731 178.379 176.600 0.080 0.000 0.992 369 E CA 1.215 57.642 56.400 0.046 0.000 0.804 369 E CB 0.195 29.936 29.700 0.068 0.000 0.741 369 E HN 0.506 nan 8.360 nan 0.000 0.458 370 Q N -0.283 119.564 119.800 0.079 0.000 2.061 370 Q HA -0.155 4.202 4.340 0.027 0.000 0.204 370 Q C 2.017 178.082 176.000 0.108 0.000 0.984 370 Q CA 2.059 57.918 55.803 0.094 0.000 0.846 370 Q CB -0.004 28.789 28.738 0.092 0.000 0.902 370 Q HN 0.293 nan 8.270 nan 0.000 0.421 371 T N 0.902 115.530 114.554 0.124 0.000 2.737 371 T HA -0.124 4.242 4.350 0.027 0.000 0.265 371 T C 1.884 176.671 174.700 0.145 0.000 1.038 371 T CA 1.416 63.603 62.100 0.145 0.000 1.144 371 T CB -0.148 68.835 68.868 0.192 0.000 0.866 371 T HN 0.289 nan 8.240 nan 0.000 0.434 372 M N 0.569 120.255 119.600 0.144 0.000 2.082 372 M HA -0.128 4.368 4.480 0.027 0.000 0.258 372 M C 2.465 178.899 176.300 0.224 0.000 1.069 372 M CA 1.485 56.938 55.300 0.256 0.000 1.102 372 M CB -0.737 32.046 32.600 0.306 0.000 1.336 372 M HN 0.101 nan 8.290 nan 0.000 0.404 373 V N 0.147 120.131 119.914 0.117 0.000 2.295 373 V HA -0.301 3.835 4.120 0.027 0.000 0.246 373 V C 2.339 178.424 176.094 -0.015 0.000 1.049 373 V CA 2.169 64.472 62.300 0.006 0.000 1.024 373 V CB -0.854 31.004 31.823 0.059 0.000 0.648 373 V HN 0.559 nan 8.190 nan 0.000 0.447 374 Q N -0.280 119.559 119.800 0.065 0.000 2.096 374 Q HA -0.277 4.079 4.340 0.027 0.000 0.204 374 Q C 1.970 178.044 176.000 0.124 0.000 0.982 374 Q CA 2.234 58.090 55.803 0.088 0.000 0.850 374 Q CB -0.163 28.645 28.738 0.118 0.000 0.901 374 Q HN 0.614 nan 8.270 nan 0.000 0.422 375 D N 0.228 120.727 120.400 0.164 0.000 2.117 375 D HA -0.140 4.516 4.640 0.027 0.000 0.197 375 D C 1.873 178.141 176.300 -0.053 0.000 0.987 375 D CA 1.107 55.214 54.000 0.177 0.000 0.829 375 D CB -0.126 40.767 40.800 0.156 0.000 0.961 375 D HN 0.370 nan 8.370 nan 0.000 0.460 376 I N 0.464 120.987 120.570 -0.077 0.000 2.315 376 I HA -0.191 3.995 4.170 0.027 0.000 0.248 376 I C 2.327 178.304 176.117 -0.234 0.000 1.117 376 I CA 0.460 61.608 61.300 -0.253 0.000 1.404 376 I CB 0.024 37.758 38.000 -0.444 0.000 1.071 376 I HN -0.013 nan 8.210 nan 0.000 0.419 377 L N -0.017 121.098 121.223 -0.179 0.000 2.093 377 L HA -0.198 4.158 4.340 0.027 0.000 0.208 377 L C 2.456 179.380 176.870 0.091 0.000 1.085 377 L CA 1.233 56.046 54.840 -0.044 0.000 0.755 377 L CB -0.399 41.658 42.059 -0.004 0.000 0.904 377 L HN 0.273 nan 8.230 nan 0.000 0.435 378 L N -1.100 120.203 121.223 0.133 0.000 2.141 378 L HA -0.203 4.153 4.340 0.027 0.000 0.209 378 L C 2.638 179.677 176.870 0.282 0.000 1.094 378 L CA 1.069 56.078 54.840 0.280 0.000 0.763 378 L CB -0.278 42.075 42.059 0.491 0.000 0.908 378 L HN 0.287 nan 8.230 nan 0.000 0.437 379 M N -0.483 119.109 119.600 -0.014 0.000 2.065 379 M HA -0.252 4.244 4.480 0.027 0.000 0.259 379 M C 2.322 178.733 176.300 0.185 0.000 1.069 379 M CA 1.914 57.146 55.300 -0.114 0.000 1.110 379 M CB -0.360 31.942 32.600 -0.497 0.000 1.328 379 M HN 0.084 nan 8.290 nan 0.000 0.405 380 K N 0.005 120.412 120.400 0.012 0.000 2.057 380 K HA -0.194 4.142 4.320 0.027 0.000 0.207 380 K C 1.944 178.565 176.600 0.036 0.000 1.049 380 K CA 1.411 57.618 56.287 -0.135 0.000 0.931 380 K CB -0.246 32.013 32.500 -0.402 0.000 0.714 380 K HN 0.472 nan 8.250 nan 0.000 0.440 381 Q N 0.319 120.290 119.800 0.285 0.000 2.291 381 Q HA -0.045 4.311 4.340 0.027 0.000 0.205 381 Q C 0.858 177.166 176.000 0.512 0.000 0.970 381 Q CA 0.740 56.818 55.803 0.458 0.000 0.876 381 Q CB 0.109 29.084 28.738 0.397 0.000 0.935 381 Q HN 0.287 nan 8.270 nan 0.000 0.455 382 N N 0.723 119.677 118.700 0.422 0.000 2.279 382 N HA 0.047 4.803 4.740 0.027 0.000 0.226 382 N C -0.598 175.012 175.510 0.167 0.000 1.126 382 N CA 0.027 53.316 53.050 0.398 0.000 0.846 382 N CB 0.631 39.439 38.487 0.535 0.000 1.050 382 N HN 0.167 nan 8.380 nan 0.000 0.502 383 N N 0.189 118.999 118.700 0.183 0.000 2.776 383 N HA -0.186 4.570 4.740 0.027 0.000 0.250 383 N C -0.853 174.552 175.510 -0.175 0.000 1.112 383 N CA 0.795 53.899 53.050 0.090 0.000 0.733 383 N CB -1.763 36.710 38.487 -0.023 0.000 1.097 383 N HN 0.265 nan 8.380 nan 0.000 0.558 384 F N 1.071 121.055 119.950 0.057 0.000 2.375 384 F HA 0.307 4.850 4.527 0.026 0.000 0.333 384 F C 1.734 177.540 175.800 0.010 0.000 1.104 384 F CA -0.569 57.445 58.000 0.023 0.000 1.149 384 F CB 0.850 39.833 39.000 -0.029 0.000 1.190 384 F HN 0.044 nan 8.300 nan 0.000 0.533 385 N N 0.866 119.684 118.700 0.197 0.000 2.160 385 N HA 0.454 5.210 4.740 0.027 0.000 0.226 385 N C -0.909 174.645 175.510 0.072 0.000 1.256 385 N CA -0.046 53.047 53.050 0.071 0.000 0.890 385 N CB 0.783 39.357 38.487 0.145 0.000 1.116 385 N HN 0.485 nan 8.380 nan 0.000 0.517 386 A N -0.632 122.311 122.820 0.204 0.000 2.604 386 A HA 0.739 5.075 4.320 0.027 0.000 0.295 386 A C -1.843 175.968 177.584 0.378 0.000 1.067 386 A CA -0.672 51.550 52.037 0.308 0.000 0.683 386 A CB 1.691 20.917 19.000 0.376 0.000 1.281 386 A HN 0.253 nan 8.150 nan 0.000 0.407 387 V N 1.061 121.247 119.914 0.454 0.000 2.888 387 V HA 0.809 4.945 4.120 0.027 0.000 0.309 387 V C -0.691 175.546 176.094 0.237 0.000 1.114 387 V CA -0.683 61.836 62.300 0.364 0.000 0.940 387 V CB 1.920 33.883 31.823 0.233 0.000 1.021 387 V HN 1.159 nan 8.190 nan 0.000 0.426 388 R N 4.913 125.404 120.500 -0.014 0.000 2.338 388 R HA 0.487 4.843 4.340 0.027 0.000 0.317 388 R C -0.750 175.408 176.300 -0.237 0.000 0.968 388 R CA -0.453 55.432 56.100 -0.358 0.000 0.849 388 R CB 1.109 30.927 30.300 -0.802 0.000 1.128 388 R HN 0.806 nan 8.270 nan 0.000 0.448 389 C N 4.544 123.732 119.300 -0.186 0.000 2.896 389 C HA 0.113 4.589 4.460 0.027 0.000 0.499 389 C C 0.470 175.178 174.990 -0.470 0.000 1.022 389 C CA -0.400 58.460 59.018 -0.262 0.000 1.127 389 C CB -2.097 25.599 27.740 -0.074 0.000 1.452 389 C HN 0.722 nan 8.230 nan 0.000 0.580 390 S N 1.520 116.819 115.700 -0.669 0.000 2.465 390 S HA 0.207 4.693 4.470 0.027 0.000 0.280 390 S C -0.165 173.505 174.600 -1.549 0.000 1.232 390 S CA 0.051 57.584 58.200 -1.111 0.000 1.066 390 S CB 0.214 62.699 63.200 -1.192 0.000 0.929 390 S HN 0.721 nan 8.310 nan 0.000 0.494 391 H N 3.591 122.029 119.070 -1.053 0.000 2.511 391 H HA 0.330 4.902 4.556 0.026 0.000 0.228 391 H C -1.214 173.980 175.328 -0.225 0.000 1.424 391 H CA -0.346 55.486 56.048 -0.361 0.000 1.321 391 H CB -0.113 29.649 29.762 0.000 0.000 1.720 391 H HN 0.889 nan 8.280 nan 0.000 0.512 392 Y N -2.651 117.745 120.300 0.159 0.000 2.732 392 Y HA 0.403 4.970 4.550 0.028 0.000 0.342 392 Y C -3.298 172.709 175.900 0.178 0.000 1.203 392 Y CA -2.977 55.230 58.100 0.180 0.000 1.092 392 Y CB 0.093 38.665 38.460 0.187 0.000 1.345 392 Y HN -0.064 nan 8.280 nan 0.000 0.458 393 P HA 0.196 nan 4.420 nan 0.000 0.271 393 P C -0.646 176.943 177.300 0.481 0.000 1.216 393 P CA 0.024 63.371 63.100 0.412 0.000 0.776 393 P CB 0.629 32.508 31.700 0.299 0.000 0.881 394 N N 0.321 119.329 118.700 0.514 0.000 2.491 394 N HA 0.105 4.861 4.740 0.027 0.000 0.279 394 N C 0.014 175.790 175.510 0.443 0.000 1.236 394 N CA -0.591 52.688 53.050 0.381 0.000 0.982 394 N CB 0.329 38.848 38.487 0.053 0.000 1.194 394 N HN 0.593 nan 8.380 nan 0.000 0.582 395 H N 2.257 121.455 119.070 0.213 0.000 2.928 395 H HA 0.018 4.590 4.556 0.027 0.000 0.338 395 H C -1.640 173.873 175.328 0.307 0.000 1.047 395 H CA -0.917 55.238 56.048 0.179 0.000 1.435 395 H CB 1.029 30.857 29.762 0.110 0.000 1.428 395 H HN 0.418 nan 8.280 nan 0.000 0.590 396 P HA -0.208 nan 4.420 nan 0.000 0.217 396 P C 1.730 179.362 177.300 0.553 0.000 1.148 396 P CA 0.712 64.064 63.100 0.420 0.000 0.828 396 P CB 0.266 32.053 31.700 0.144 0.000 0.783 397 L N -1.179 120.452 121.223 0.680 0.000 2.275 397 L HA -0.012 4.344 4.340 0.027 0.000 0.215 397 L C 2.371 179.428 176.870 0.311 0.000 1.119 397 L CA 1.231 56.324 54.840 0.421 0.000 0.790 397 L CB -1.383 40.871 42.059 0.326 0.000 0.919 397 L HN 0.010 nan 8.230 nan 0.000 0.443 398 W N -0.615 120.742 121.300 0.094 0.000 2.358 398 W HA -0.310 4.365 4.660 0.026 0.000 0.303 398 W C 2.000 178.383 176.519 -0.226 0.000 1.208 398 W CA 1.702 58.959 57.345 -0.146 0.000 1.274 398 W CB -0.272 28.997 29.460 -0.318 0.000 1.138 398 W HN 0.261 nan 8.180 nan 0.000 0.515 399 Y N 0.844 121.089 120.300 -0.091 0.000 2.200 399 Y HA -0.219 4.347 4.550 0.026 0.000 0.290 399 Y C 2.848 178.538 175.900 -0.349 0.000 1.137 399 Y CA 2.220 60.052 58.100 -0.448 0.000 1.163 399 Y CB -1.285 36.561 38.460 -1.023 0.000 0.988 399 Y HN -0.232 nan 8.280 nan 0.000 0.518 400 T N 0.836 115.428 114.554 0.063 0.000 2.720 400 T HA -0.178 4.188 4.350 0.027 0.000 0.268 400 T C 2.001 176.742 174.700 0.069 0.000 1.037 400 T CA 1.512 63.712 62.100 0.166 0.000 1.144 400 T CB -0.588 68.411 68.868 0.217 0.000 0.864 400 T HN 0.239 nan 8.240 nan 0.000 0.444 401 L N 0.322 121.544 121.223 -0.003 0.000 2.046 401 L HA -0.102 4.254 4.340 0.027 0.000 0.208 401 L C 2.908 179.753 176.870 -0.042 0.000 1.077 401 L CA 0.969 55.825 54.840 0.025 0.000 0.747 401 L CB -0.809 41.228 42.059 -0.038 0.000 0.896 401 L HN 0.366 nan 8.230 nan 0.000 0.432 402 C N -0.198 118.912 119.300 -0.317 0.000 2.440 402 C HA -0.139 4.337 4.460 0.027 0.000 0.278 402 C C 2.439 177.473 174.990 0.073 0.000 1.295 402 C CA 0.401 59.273 59.018 -0.243 0.000 1.738 402 C CB -0.799 26.686 27.740 -0.425 0.000 1.987 402 C HN 0.541 nan 8.230 nan 0.000 0.492 403 D N 0.525 120.974 120.400 0.081 0.000 2.104 403 D HA -0.108 4.548 4.640 0.027 0.000 0.194 403 D C 2.397 178.907 176.300 0.351 0.000 0.994 403 D CA 1.254 55.377 54.000 0.206 0.000 0.830 403 D CB -0.362 40.519 40.800 0.135 0.000 0.959 403 D HN 0.529 nan 8.370 nan 0.000 0.452 404 R N -0.964 119.633 120.500 0.162 0.000 2.100 404 R HA -0.013 4.343 4.340 0.027 0.000 0.220 404 R C 2.151 178.422 176.300 -0.048 0.000 1.091 404 R CA 0.558 56.686 56.100 0.047 0.000 0.986 404 R CB -0.147 30.096 30.300 -0.095 0.000 0.888 404 R HN 0.277 nan 8.270 nan 0.000 0.444 405 Y N 0.013 120.329 120.300 0.027 0.000 2.365 405 Y HA 0.166 4.732 4.550 0.026 0.000 0.293 405 Y C 1.092 176.919 175.900 -0.121 0.000 1.119 405 Y CA 0.930 59.013 58.100 -0.029 0.000 1.203 405 Y CB 0.422 38.839 38.460 -0.072 0.000 1.026 405 Y HN 0.226 nan 8.280 nan 0.000 0.549 406 G N 0.988 109.823 108.800 0.057 0.000 2.830 406 G HA2 -0.124 3.852 3.960 0.027 0.000 0.298 406 G HA3 -0.124 3.852 3.960 0.027 0.000 0.298 406 G C -1.190 173.553 174.900 -0.262 0.000 1.031 406 G CA -0.525 44.475 45.100 -0.165 0.000 1.179 406 G HN 0.171 nan 8.290 nan 0.000 0.527 407 L N 1.334 122.485 121.223 -0.120 0.000 2.445 407 L HA 0.515 4.871 4.340 0.027 0.000 0.262 407 L C -0.385 176.481 176.870 -0.007 0.000 0.974 407 L CA -1.417 53.302 54.840 -0.202 0.000 0.822 407 L CB 1.842 43.813 42.059 -0.147 0.000 1.339 407 L HN 0.371 nan 8.230 nan 0.000 0.409 408 Y N 1.756 122.193 120.300 0.228 0.000 2.359 408 Y HA 0.406 4.974 4.550 0.030 0.000 0.330 408 Y C 0.268 176.299 175.900 0.218 0.000 1.143 408 Y CA -0.542 57.726 58.100 0.280 0.000 1.318 408 Y CB 0.959 39.560 38.460 0.236 0.000 1.234 408 Y HN 0.108 nan 8.280 nan 0.000 0.522 409 V N 3.858 123.958 119.914 0.311 0.000 2.680 409 V HA 0.402 4.538 4.120 0.027 0.000 0.309 409 V C -0.619 175.554 176.094 0.131 0.000 1.052 409 V CA -1.118 61.302 62.300 0.199 0.000 0.908 409 V CB 2.126 34.021 31.823 0.120 0.000 1.001 409 V HN 0.452 nan 8.190 nan 0.000 0.431 410 V N 3.118 123.072 119.914 0.067 0.000 2.318 410 V HA 0.309 4.445 4.120 0.027 0.000 0.271 410 V C -0.320 175.803 176.094 0.048 0.000 1.030 410 V CA -0.297 61.994 62.300 -0.014 0.000 0.844 410 V CB 1.315 33.006 31.823 -0.220 0.000 1.015 410 V HN 0.888 nan 8.190 nan 0.000 0.460 411 D N 4.251 124.724 120.400 0.123 0.000 2.249 411 D HA 0.341 4.997 4.640 0.027 0.000 0.246 411 D C -0.243 176.251 176.300 0.323 0.000 1.114 411 D CA -0.092 54.077 54.000 0.281 0.000 0.854 411 D CB 1.309 42.319 40.800 0.350 0.000 1.132 411 D HN 0.683 nan 8.370 nan 0.000 0.461 412 E N 1.993 122.347 120.200 0.256 0.000 2.234 412 E HA 0.626 4.992 4.350 0.027 0.000 0.266 412 E C -1.062 175.674 176.600 0.228 0.000 0.877 412 E CA -1.059 55.477 56.400 0.226 0.000 0.758 412 E CB 1.366 31.150 29.700 0.141 0.000 1.170 412 E HN 0.453 nan 8.360 nan 0.000 0.415 413 A N 3.802 126.749 122.820 0.211 0.000 2.483 413 A HA 0.064 4.400 4.320 0.027 0.000 0.238 413 A C 0.313 178.022 177.584 0.208 0.000 1.070 413 A CA -0.193 51.949 52.037 0.175 0.000 0.770 413 A CB 0.132 19.198 19.000 0.110 0.000 1.008 413 A HN 0.697 nan 8.150 nan 0.000 0.497 414 N N 1.276 120.109 118.700 0.221 0.000 3.050 414 N HA 0.255 5.011 4.740 0.027 0.000 0.289 414 N C -1.047 174.594 175.510 0.218 0.000 1.209 414 N CA 0.197 53.413 53.050 0.276 0.000 1.154 414 N CB -0.793 37.854 38.487 0.267 0.000 1.444 414 N HN 0.475 nan 8.380 nan 0.000 0.529 415 I N 1.134 121.827 120.570 0.204 0.000 2.503 415 I HA 0.255 4.441 4.170 0.027 0.000 0.282 415 I C -0.577 175.643 176.117 0.173 0.000 1.059 415 I CA -0.580 60.822 61.300 0.170 0.000 1.081 415 I CB 1.569 39.643 38.000 0.123 0.000 1.210 415 I HN 0.260 nan 8.210 nan 0.000 0.450 416 E N 4.391 124.688 120.200 0.163 0.000 2.274 416 E HA 0.360 4.726 4.350 0.027 0.000 0.269 416 E C -0.541 176.123 176.600 0.105 0.000 0.891 416 E CA -0.482 55.984 56.400 0.110 0.000 0.784 416 E CB 1.568 31.319 29.700 0.084 0.000 1.225 416 E HN 0.564 nan 8.360 nan 0.000 0.412 417 T N 0.688 115.294 114.554 0.086 0.000 3.374 417 T HA 0.163 4.529 4.350 0.027 0.000 0.267 417 T C 0.877 175.615 174.700 0.063 0.000 0.996 417 T CA -0.349 61.827 62.100 0.127 0.000 0.977 417 T CB -0.272 68.658 68.868 0.104 0.000 1.149 417 T HN 0.665 nan 8.240 nan 0.000 0.517 418 H N 1.190 120.166 119.070 -0.158 0.000 2.394 418 H HA -0.067 4.506 4.556 0.028 0.000 0.297 418 H C 2.298 177.492 175.328 -0.224 0.000 1.113 418 H CA 1.304 57.233 56.048 -0.199 0.000 1.277 418 H CB -0.160 29.450 29.762 -0.252 0.000 1.370 418 H HN 0.592 nan 8.280 nan 0.000 0.506 419 G N 0.110 108.739 108.800 -0.285 0.000 2.848 419 G HA2 -0.040 3.936 3.960 0.027 0.000 0.208 419 G HA3 -0.040 3.936 3.960 0.027 0.000 0.208 419 G C 0.469 175.470 174.900 0.169 0.000 1.152 419 G CA -0.160 44.812 45.100 -0.213 0.000 0.789 419 G HN 0.143 nan 8.290 nan 0.000 0.531 420 M N 0.339 120.087 119.600 0.248 0.000 2.198 420 M HA 0.309 4.805 4.480 0.027 0.000 0.315 420 M C -0.315 176.022 176.300 0.061 0.000 1.134 420 M CA -0.256 55.148 55.300 0.173 0.000 1.171 420 M CB 1.356 34.010 32.600 0.089 0.000 1.413 420 M HN -0.207 nan 8.290 nan 0.000 0.467 421 V N 3.727 123.654 119.914 0.022 0.000 2.482 421 V HA 0.373 4.510 4.120 0.027 0.000 0.295 421 V C -1.968 174.118 176.094 -0.013 0.000 1.026 421 V CA -1.323 60.976 62.300 -0.002 0.000 0.856 421 V CB 1.825 33.642 31.823 -0.011 0.000 1.001 421 V HN 0.733 nan 8.190 nan 0.000 0.424 422 P HA 0.236 nan 4.420 nan 0.000 0.275 422 P C 0.985 178.286 177.300 0.002 0.000 1.266 422 P CA -0.486 62.609 63.100 -0.008 0.000 0.793 422 P CB 1.019 32.716 31.700 -0.006 0.000 1.074 423 M N 0.675 120.282 119.600 0.011 0.000 2.267 423 M HA -0.178 4.318 4.480 0.027 0.000 0.263 423 M C 1.234 177.553 176.300 0.033 0.000 1.063 423 M CA 1.815 57.131 55.300 0.027 0.000 1.090 423 M CB -0.473 32.136 32.600 0.014 0.000 1.392 423 M HN 0.375 nan 8.290 nan 0.000 0.422 424 N N -0.106 118.613 118.700 0.032 0.000 2.313 424 N HA -0.079 4.677 4.740 0.027 0.000 0.207 424 N C 1.130 176.621 175.510 -0.031 0.000 1.141 424 N CA 0.196 53.266 53.050 0.034 0.000 0.830 424 N CB -0.713 37.809 38.487 0.059 0.000 1.008 424 N HN 0.364 nan 8.380 nan 0.000 0.481 425 R N 0.348 120.816 120.500 -0.053 0.000 2.105 425 R HA 0.009 4.365 4.340 0.027 0.000 0.239 425 R C 1.421 177.621 176.300 -0.166 0.000 1.135 425 R CA 1.276 57.321 56.100 -0.092 0.000 0.967 425 R CB -0.031 30.210 30.300 -0.098 0.000 0.861 425 R HN 0.293 nan 8.270 nan 0.000 0.442 426 L N -0.693 120.373 121.223 -0.261 0.000 2.202 426 L HA 0.002 4.359 4.340 0.027 0.000 0.205 426 L C 2.378 179.111 176.870 -0.228 0.000 1.083 426 L CA 1.275 55.843 54.840 -0.452 0.000 0.790 426 L CB -0.391 41.167 42.059 -0.834 0.000 0.942 426 L HN 0.337 nan 8.230 nan 0.000 0.452 427 T N -4.552 109.900 114.554 -0.169 0.000 3.072 427 T HA -0.130 4.236 4.350 0.027 0.000 0.266 427 T C 1.234 175.846 174.700 -0.146 0.000 1.127 427 T CA 0.929 62.914 62.100 -0.191 0.000 1.107 427 T CB -0.176 68.526 68.868 -0.277 0.000 0.910 427 T HN 0.082 nan 8.240 nan 0.000 0.513 428 D N 1.142 121.489 120.400 -0.088 0.000 2.349 428 D HA 0.096 4.752 4.640 0.027 0.000 0.214 428 D C -0.263 176.016 176.300 -0.035 0.000 1.063 428 D CA -0.201 53.758 54.000 -0.068 0.000 0.847 428 D CB -0.105 40.663 40.800 -0.054 0.000 0.933 428 D HN 0.293 nan 8.370 nan 0.000 0.513 429 D N -0.015 120.380 120.400 -0.008 0.000 2.359 429 D HA 0.119 4.775 4.640 0.027 0.000 0.230 429 D C -1.667 174.686 176.300 0.088 0.000 1.118 429 D CA -2.182 51.853 54.000 0.058 0.000 0.844 429 D CB 1.959 42.838 40.800 0.132 0.000 1.059 429 D HN -0.012 nan 8.370 nan 0.000 0.493 430 P HA -0.092 nan 4.420 nan 0.000 0.222 430 P C 0.966 178.271 177.300 0.008 0.000 1.147 430 P CA 0.642 63.752 63.100 0.017 0.000 0.790 430 P CB 0.317 32.015 31.700 -0.004 0.000 0.780 431 R N -1.823 118.690 120.500 0.020 0.000 2.285 431 R HA -0.062 4.294 4.340 0.027 0.000 0.213 431 R C 1.416 177.587 176.300 -0.215 0.000 1.068 431 R CA 0.974 57.016 56.100 -0.095 0.000 1.004 431 R CB -0.488 29.744 30.300 -0.115 0.000 0.873 431 R HN 0.330 nan 8.270 nan 0.000 0.467 432 W N -0.217 121.029 121.300 -0.091 0.000 3.220 432 W HA 0.122 4.798 4.660 0.026 0.000 0.328 432 W C 1.520 177.980 176.519 -0.098 0.000 1.205 432 W CA -0.492 56.798 57.345 -0.091 0.000 1.773 432 W CB 0.080 29.484 29.460 -0.093 0.000 1.086 432 W HN 0.001 nan 8.180 nan 0.000 0.622 433 L N 2.204 123.455 121.223 0.046 0.000 2.046 433 L HA -0.037 4.319 4.340 0.027 0.000 0.208 433 L C -0.698 176.137 176.870 -0.058 0.000 1.077 433 L CA 2.208 57.037 54.840 -0.018 0.000 0.747 433 L CB -1.714 40.323 42.059 -0.036 0.000 0.896 433 L HN -0.240 nan 8.230 nan 0.000 0.432 434 P HA -0.195 nan 4.420 nan 0.000 0.213 434 P C 1.657 178.902 177.300 -0.091 0.000 1.170 434 P CA 2.371 65.409 63.100 -0.104 0.000 0.902 434 P CB -0.290 31.338 31.700 -0.120 0.000 0.789 435 A N -1.113 121.666 122.820 -0.069 0.000 1.908 435 A HA -0.214 4.122 4.320 0.027 0.000 0.218 435 A C 2.278 179.874 177.584 0.021 0.000 1.181 435 A CA 2.191 54.221 52.037 -0.010 0.000 0.627 435 A CB -1.513 17.515 19.000 0.048 0.000 0.818 435 A HN 0.123 nan 8.150 nan 0.000 0.445 436 M N 0.109 119.729 119.600 0.032 0.000 2.175 436 M HA -0.135 4.361 4.480 0.027 0.000 0.264 436 M C 2.547 178.793 176.300 -0.091 0.000 1.063 436 M CA 1.609 56.906 55.300 -0.006 0.000 1.119 436 M CB -0.336 32.241 32.600 -0.038 0.000 1.377 436 M HN 0.675 nan 8.290 nan 0.000 0.415 437 S N 0.535 116.153 115.700 -0.137 0.000 2.374 437 S HA -0.216 4.270 4.470 0.027 0.000 0.227 437 S C 1.599 176.029 174.600 -0.285 0.000 1.037 437 S CA 1.685 59.735 58.200 -0.251 0.000 1.024 437 S CB -0.636 62.388 63.200 -0.293 0.000 0.861 437 S HN 0.545 nan 8.310 nan 0.000 0.456 438 E N 0.842 120.928 120.200 -0.189 0.000 2.204 438 E HA -0.030 4.336 4.350 0.027 0.000 0.194 438 E C 2.416 178.930 176.600 -0.142 0.000 0.989 438 E CA 0.673 56.966 56.400 -0.178 0.000 0.824 438 E CB -0.096 29.538 29.700 -0.110 0.000 0.756 438 E HN 0.579 nan 8.360 nan 0.000 0.477 439 R N 0.065 120.511 120.500 -0.089 0.000 2.115 439 R HA -0.070 4.286 4.340 0.027 0.000 0.230 439 R C 2.249 178.510 176.300 -0.066 0.000 1.111 439 R CA 0.767 56.846 56.100 -0.035 0.000 0.976 439 R CB -0.004 30.315 30.300 0.032 0.000 0.870 439 R HN 0.022 nan 8.270 nan 0.000 0.445 440 V N 0.328 120.159 119.914 -0.140 0.000 2.379 440 V HA -0.187 3.949 4.120 0.027 0.000 0.243 440 V C 2.525 178.444 176.094 -0.291 0.000 1.035 440 V CA 2.134 64.331 62.300 -0.172 0.000 1.035 440 V CB -0.361 31.347 31.823 -0.192 0.000 0.673 440 V HN 0.530 nan 8.190 nan 0.000 0.457 441 T N -0.591 113.661 114.554 -0.502 0.000 2.746 441 T HA -0.258 4.108 4.350 0.027 0.000 0.267 441 T C 1.939 176.482 174.700 -0.261 0.000 1.039 441 T CA 1.506 63.221 62.100 -0.642 0.000 1.142 441 T CB -0.432 67.862 68.868 -0.958 0.000 0.866 441 T HN 0.412 nan 8.240 nan 0.000 0.444 442 R N 0.294 120.668 120.500 -0.210 0.000 2.148 442 R HA 0.199 4.555 4.340 0.027 0.000 0.227 442 R C 2.639 178.866 176.300 -0.122 0.000 1.103 442 R CA 1.374 57.388 56.100 -0.144 0.000 0.983 442 R CB -0.454 29.770 30.300 -0.127 0.000 0.874 442 R HN 0.518 nan 8.270 nan 0.000 0.451 443 M N 0.431 119.966 119.600 -0.109 0.000 2.123 443 M HA -0.112 4.384 4.480 0.027 0.000 0.263 443 M C 1.804 178.039 176.300 -0.107 0.000 1.069 443 M CA 1.585 56.850 55.300 -0.057 0.000 1.133 443 M CB 0.138 32.745 32.600 0.012 0.000 1.356 443 M HN -0.030 nan 8.290 nan 0.000 0.415 444 V N 1.124 120.872 119.914 -0.277 0.000 2.407 444 V HA -0.270 3.866 4.120 0.027 0.000 0.248 444 V C 2.287 178.282 176.094 -0.164 0.000 1.055 444 V CA 1.933 63.938 62.300 -0.492 0.000 1.049 444 V CB -0.870 30.616 31.823 -0.561 0.000 0.662 444 V HN 0.594 nan 8.190 nan 0.000 0.455 445 Q N -0.583 119.152 119.800 -0.108 0.000 2.124 445 Q HA -0.230 4.126 4.340 0.027 0.000 0.202 445 Q C 2.464 178.384 176.000 -0.134 0.000 0.977 445 Q CA 1.652 57.399 55.803 -0.094 0.000 0.850 445 Q CB -0.187 28.513 28.738 -0.063 0.000 0.901 445 Q HN 0.537 nan 8.270 nan 0.000 0.429 446 R N 0.328 120.741 120.500 -0.144 0.000 2.075 446 R HA -0.097 4.260 4.340 0.027 0.000 0.226 446 R C 0.610 176.837 176.300 -0.121 0.000 1.114 446 R CA 1.371 57.360 56.100 -0.184 0.000 0.972 446 R CB 0.376 30.567 30.300 -0.182 0.000 0.869 446 R HN 0.150 nan 8.270 nan 0.000 0.437 447 D N -0.229 120.168 120.400 -0.004 0.000 2.369 447 D HA -0.016 4.640 4.640 0.027 0.000 0.211 447 D C 1.345 177.767 176.300 0.203 0.000 1.077 447 D CA 0.170 54.224 54.000 0.090 0.000 0.842 447 D CB 0.195 41.005 40.800 0.017 0.000 0.947 447 D HN 0.369 nan 8.370 nan 0.000 0.509 448 R N 0.651 121.282 120.500 0.219 0.000 2.293 448 R HA 0.001 4.357 4.340 0.027 0.000 0.219 448 R C 0.690 176.998 176.300 0.013 0.000 1.091 448 R CA 0.881 57.116 56.100 0.225 0.000 1.004 448 R CB -0.265 30.106 30.300 0.118 0.000 0.865 448 R HN -0.082 nan 8.270 nan 0.000 0.469 449 N N 0.225 118.860 118.700 -0.109 0.000 2.280 449 N HA 0.010 4.766 4.740 0.027 0.000 0.192 449 N C -0.563 174.822 175.510 -0.209 0.000 1.109 449 N CA 0.215 53.167 53.050 -0.163 0.000 0.855 449 N CB 0.133 38.486 38.487 -0.223 0.000 0.974 449 N HN 0.284 nan 8.380 nan 0.000 0.482 450 H N 1.231 120.240 119.070 -0.101 0.000 2.668 450 H HA 0.116 4.688 4.556 0.026 0.000 0.303 450 H C -1.225 173.954 175.328 -0.249 0.000 1.074 450 H CA -1.253 54.718 56.048 -0.129 0.000 1.406 450 H CB 1.627 31.348 29.762 -0.068 0.000 1.442 450 H HN 0.053 nan 8.280 nan 0.000 0.482 451 P HA -0.143 nan 4.420 nan 0.000 0.221 451 P C 1.435 178.272 177.300 -0.772 0.000 1.150 451 P CA 1.008 63.760 63.100 -0.580 0.000 0.800 451 P CB 0.302 31.435 31.700 -0.945 0.000 0.787 452 S N -0.649 114.695 115.700 -0.594 0.000 2.419 452 S HA -0.050 4.436 4.470 0.027 0.000 0.233 452 S C 1.117 175.677 174.600 -0.066 0.000 1.016 452 S CA 0.413 58.420 58.200 -0.322 0.000 0.974 452 S CB -1.546 61.636 63.200 -0.031 0.000 0.786 452 S HN -0.059 nan 8.310 nan 0.000 0.492 453 V N 3.686 123.541 119.914 -0.099 0.000 2.446 453 V HA 0.206 4.342 4.120 0.027 0.000 0.276 453 V C 1.188 177.150 176.094 -0.221 0.000 1.030 453 V CA 0.085 62.297 62.300 -0.148 0.000 1.033 453 V CB 0.390 32.034 31.823 -0.300 0.000 0.993 453 V HN 0.634 nan 8.190 nan 0.000 0.477 454 I N 2.676 123.175 120.570 -0.118 0.000 4.035 454 I HA 0.495 4.681 4.170 0.027 0.000 0.321 454 I C 0.419 176.428 176.117 -0.181 0.000 1.289 454 I CA 0.574 61.810 61.300 -0.105 0.000 1.236 454 I CB 0.469 38.489 38.000 0.034 0.000 1.076 454 I HN 0.326 nan 8.210 nan 0.000 0.418 455 I N 0.201 120.643 120.570 -0.212 0.000 2.656 455 I HA 0.348 4.534 4.170 0.027 0.000 0.292 455 I C -1.534 174.495 176.117 -0.145 0.000 1.144 455 I CA -0.409 60.809 61.300 -0.136 0.000 1.038 455 I CB 2.143 40.156 38.000 0.022 0.000 1.244 455 I HN 0.035 nan 8.210 nan 0.000 0.420 456 W N 4.011 125.363 121.300 0.087 0.000 2.438 456 W HA 0.605 5.278 4.660 0.023 0.000 0.324 456 W C 0.418 177.006 176.519 0.115 0.000 1.119 456 W CA -0.647 56.756 57.345 0.097 0.000 1.221 456 W CB 1.661 31.174 29.460 0.089 0.000 1.253 456 W HN 0.309 nan 8.180 nan 0.000 0.555 457 S N 2.686 118.619 115.700 0.388 0.000 2.482 457 S HA 0.386 4.872 4.470 0.027 0.000 0.303 457 S C 0.287 175.056 174.600 0.282 0.000 1.091 457 S CA -0.727 57.653 58.200 0.300 0.000 1.057 457 S CB 0.841 64.172 63.200 0.218 0.000 1.031 457 S HN 0.582 nan 8.310 nan 0.000 0.485 458 L N 4.092 125.475 121.223 0.266 0.000 2.622 458 L HA 0.308 4.664 4.340 0.027 0.000 0.233 458 L C 1.410 178.347 176.870 0.111 0.000 1.156 458 L CA 0.543 55.462 54.840 0.132 0.000 0.866 458 L CB -1.262 40.770 42.059 -0.046 0.000 0.980 458 L HN 1.008 nan 8.230 nan 0.000 0.448 459 G N -0.050 108.901 108.800 0.252 0.000 2.280 459 G HA2 -0.137 3.839 3.960 0.027 0.000 0.277 459 G HA3 -0.137 3.839 3.960 0.027 0.000 0.277 459 G C -1.574 173.535 174.900 0.348 0.000 1.288 459 G CA -0.551 44.706 45.100 0.261 0.000 1.075 459 G HN 0.179 nan 8.290 nan 0.000 0.480 460 N N 0.202 119.047 118.700 0.242 0.000 2.367 460 N HA 0.470 5.226 4.740 0.027 0.000 0.278 460 N C -0.466 175.006 175.510 -0.063 0.000 1.117 460 N CA 0.130 53.177 53.050 -0.005 0.000 0.867 460 N CB 1.580 39.810 38.487 -0.428 0.000 1.649 460 N HN 0.889 nan 8.380 nan 0.000 0.479 461 E N 0.687 120.751 120.200 -0.227 0.000 2.160 461 E HA -0.179 4.187 4.350 0.027 0.000 0.180 461 E C -0.827 175.678 176.600 -0.157 0.000 1.452 461 E CA 0.787 56.958 56.400 -0.382 0.000 0.683 461 E CB -1.318 27.880 29.700 -0.838 0.000 1.072 461 E HN 0.430 nan 8.360 nan 0.000 0.332 462 S N 0.063 115.818 115.700 0.092 0.000 2.941 462 S HA 0.405 4.891 4.470 0.027 0.000 0.251 462 S C 0.669 175.430 174.600 0.268 0.000 1.029 462 S CA -0.180 58.134 58.200 0.190 0.000 1.062 462 S CB 1.386 64.751 63.200 0.274 0.000 0.977 462 S HN 0.850 nan 8.310 nan 0.000 0.552 463 G N 2.033 110.922 108.800 0.149 0.000 2.598 463 G HA2 -0.270 3.706 3.960 0.027 0.000 0.269 463 G HA3 -0.270 3.706 3.960 0.027 0.000 0.269 463 G C -0.496 174.592 174.900 0.312 0.000 1.289 463 G CA -0.073 45.118 45.100 0.152 0.000 0.926 463 G HN 0.651 nan 8.290 nan 0.000 0.567 464 H N 0.489 119.668 119.070 0.183 0.000 2.727 464 H HA 0.581 5.154 4.556 0.028 0.000 0.330 464 H C 0.278 175.764 175.328 0.263 0.000 0.986 464 H CA -0.055 56.140 56.048 0.244 0.000 1.251 464 H CB 0.810 30.655 29.762 0.138 0.000 1.493 464 H HN 1.072 nan 8.280 nan 0.000 0.515 465 G N 1.515 110.377 108.800 0.103 0.000 2.569 465 G HA2 0.452 4.428 3.960 0.027 0.000 0.300 465 G HA3 0.452 4.428 3.960 0.027 0.000 0.300 465 G C 0.516 175.286 174.900 -0.217 0.000 1.269 465 G CA -0.157 44.859 45.100 -0.140 0.000 0.959 465 G HN 0.676 nan 8.290 nan 0.000 0.478 466 A N 0.405 123.126 122.820 -0.165 0.000 2.019 466 A HA -0.090 4.246 4.320 0.027 0.000 0.219 466 A C 2.146 179.700 177.584 -0.051 0.000 1.164 466 A CA 1.872 53.855 52.037 -0.090 0.000 0.644 466 A CB -0.449 18.521 19.000 -0.050 0.000 0.805 466 A HN 0.547 nan 8.150 nan 0.000 0.449 467 N N -0.066 118.569 118.700 -0.110 0.000 2.149 467 N HA -0.178 4.578 4.740 0.027 0.000 0.188 467 N C 1.386 176.826 175.510 -0.116 0.000 1.019 467 N CA 1.875 54.846 53.050 -0.132 0.000 0.857 467 N CB -0.720 37.648 38.487 -0.197 0.000 0.997 467 N HN 0.794 nan 8.380 nan 0.000 0.426 468 H N 0.365 119.410 119.070 -0.043 0.000 2.321 468 H HA -0.035 4.537 4.556 0.027 0.000 0.300 468 H C 1.323 176.712 175.328 0.102 0.000 1.087 468 H CA 1.344 57.377 56.048 -0.025 0.000 1.319 468 H CB 0.093 29.839 29.762 -0.026 0.000 1.379 468 H HN 0.190 nan 8.280 nan 0.000 0.501 469 D N 0.416 120.970 120.400 0.257 0.000 2.123 469 D HA -0.144 4.512 4.640 0.027 0.000 0.196 469 D C 2.313 178.760 176.300 0.246 0.000 0.992 469 D CA 1.222 55.371 54.000 0.248 0.000 0.833 469 D CB -0.462 40.453 40.800 0.191 0.000 0.954 469 D HN 0.435 nan 8.370 nan 0.000 0.455 470 A N 0.735 123.649 122.820 0.156 0.000 1.902 470 A HA -0.125 4.211 4.320 0.027 0.000 0.217 470 A C 2.414 180.104 177.584 0.178 0.000 1.181 470 A CA 0.985 53.105 52.037 0.139 0.000 0.623 470 A CB -0.738 18.302 19.000 0.067 0.000 0.818 470 A HN 0.209 nan 8.150 nan 0.000 0.443 471 L N -2.181 119.132 121.223 0.150 0.000 2.156 471 L HA -0.119 4.237 4.340 0.027 0.000 0.208 471 L C 2.556 179.571 176.870 0.242 0.000 1.095 471 L CA 1.378 56.308 54.840 0.150 0.000 0.770 471 L CB -0.634 41.442 42.059 0.029 0.000 0.914 471 L HN 0.613 nan 8.230 nan 0.000 0.439 472 Y N 1.317 121.699 120.300 0.138 0.000 2.128 472 Y HA -0.320 4.242 4.550 0.020 0.000 0.284 472 Y C 2.783 178.767 175.900 0.139 0.000 1.154 472 Y CA 1.772 59.957 58.100 0.142 0.000 1.149 472 Y CB -0.157 38.388 38.460 0.142 0.000 0.976 472 Y HN -0.028 nan 8.280 nan 0.000 0.505 473 R N -0.222 120.395 120.500 0.194 0.000 2.092 473 R HA -0.188 4.168 4.340 0.027 0.000 0.231 473 R C 2.032 178.340 176.300 0.013 0.000 1.119 473 R CA 1.865 57.996 56.100 0.051 0.000 0.970 473 R CB -1.412 28.993 30.300 0.176 0.000 0.864 473 R HN 0.629 nan 8.270 nan 0.000 0.440 474 W N 0.577 121.838 121.300 -0.066 0.000 2.335 474 W HA -0.154 4.521 4.660 0.026 0.000 0.311 474 W C 1.607 178.036 176.519 -0.150 0.000 1.213 474 W CA 2.082 59.372 57.345 -0.091 0.000 1.274 474 W CB -0.258 29.151 29.460 -0.085 0.000 1.148 474 W HN 0.088 nan 8.180 nan 0.000 0.498 475 I N 0.767 121.368 120.570 0.052 0.000 2.179 475 I HA -0.347 3.839 4.170 0.027 0.000 0.242 475 I C 2.456 178.380 176.117 -0.321 0.000 1.088 475 I CA 1.373 62.537 61.300 -0.228 0.000 1.357 475 I CB -0.754 37.165 38.000 -0.136 0.000 1.051 475 I HN -0.114 nan 8.210 nan 0.000 0.409 476 K N 0.303 120.519 120.400 -0.308 0.000 2.113 476 K HA -0.180 4.156 4.320 0.027 0.000 0.208 476 K C 2.290 178.750 176.600 -0.233 0.000 1.047 476 K CA 1.480 57.602 56.287 -0.275 0.000 0.928 476 K CB -0.504 31.783 32.500 -0.355 0.000 0.716 476 K HN 0.236 nan 8.250 nan 0.000 0.446 477 S N 0.822 116.351 115.700 -0.285 0.000 2.377 477 S HA -0.080 4.406 4.470 0.027 0.000 0.223 477 S C 2.010 176.389 174.600 -0.368 0.000 1.030 477 S CA 1.156 59.188 58.200 -0.280 0.000 0.970 477 S CB -0.053 62.976 63.200 -0.286 0.000 0.830 477 S HN 0.201 nan 8.310 nan 0.000 0.473 478 V N -0.939 118.613 119.914 -0.605 0.000 2.951 478 V HA 0.277 4.413 4.120 0.027 0.000 0.255 478 V C 0.280 176.143 176.094 -0.385 0.000 1.088 478 V CA 1.202 63.148 62.300 -0.591 0.000 1.109 478 V CB -0.310 30.914 31.823 -0.999 0.000 0.724 478 V HN 0.396 nan 8.190 nan 0.000 0.471 479 D N 0.428 120.651 120.400 -0.294 0.000 2.364 479 D HA 0.396 5.052 4.640 0.027 0.000 0.251 479 D C -2.370 173.919 176.300 -0.018 0.000 1.282 479 D CA -1.772 52.166 54.000 -0.103 0.000 0.927 479 D CB 1.745 42.569 40.800 0.040 0.000 1.267 479 D HN 0.161 nan 8.370 nan 0.000 0.531 480 P HA -0.011 nan 4.420 nan 0.000 0.241 480 P C 1.197 178.515 177.300 0.031 0.000 1.191 480 P CA 0.412 63.504 63.100 -0.012 0.000 0.771 480 P CB 0.183 31.869 31.700 -0.023 0.000 0.929 481 S N -1.304 114.423 115.700 0.045 0.000 2.515 481 S HA 0.033 4.519 4.470 0.027 0.000 0.231 481 S C 0.867 175.494 174.600 0.044 0.000 0.987 481 S CA 0.104 58.335 58.200 0.051 0.000 0.936 481 S CB -0.416 62.808 63.200 0.040 0.000 0.766 481 S HN 0.058 nan 8.310 nan 0.000 0.528 482 R N 0.828 121.367 120.500 0.066 0.000 2.673 482 R HA 0.534 4.891 4.340 0.027 0.000 0.281 482 R C -3.256 173.093 176.300 0.083 0.000 0.991 482 R CA -2.261 53.845 56.100 0.010 0.000 0.896 482 R CB 1.535 31.730 30.300 -0.175 0.000 1.201 482 R HN 0.123 nan 8.270 nan 0.000 0.457 483 P HA 0.089 nan 4.420 nan 0.000 0.272 483 P C -0.870 176.539 177.300 0.181 0.000 1.223 483 P CA -0.367 62.798 63.100 0.109 0.000 0.784 483 P CB 0.683 32.433 31.700 0.084 0.000 0.923 484 V N 2.811 122.859 119.914 0.224 0.000 2.459 484 V HA 0.403 4.539 4.120 0.027 0.000 0.295 484 V C 0.230 176.516 176.094 0.320 0.000 1.029 484 V CA -0.290 62.193 62.300 0.305 0.000 0.874 484 V CB 1.076 33.052 31.823 0.255 0.000 0.985 484 V HN 0.606 nan 8.190 nan 0.000 0.438 485 Q N 3.937 123.905 119.800 0.279 0.000 2.458 485 Q HA 0.824 5.180 4.340 0.027 0.000 0.282 485 Q C -1.799 174.365 176.000 0.273 0.000 1.106 485 Q CA -0.952 54.979 55.803 0.213 0.000 0.814 485 Q CB 3.022 31.832 28.738 0.121 0.000 1.425 485 Q HN 0.635 nan 8.270 nan 0.000 0.437 486 Y N 0.050 120.362 120.300 0.020 0.000 2.409 486 Y HA 0.143 4.707 4.550 0.024 0.000 0.321 486 Y C -0.758 175.087 175.900 -0.093 0.000 1.209 486 Y CA -0.765 57.317 58.100 -0.030 0.000 1.086 486 Y CB 1.954 40.386 38.460 -0.045 0.000 1.320 486 Y HN 0.944 nan 8.280 nan 0.000 0.440 487 E N 3.379 123.057 120.200 -0.870 0.000 2.400 487 E HA 0.164 4.530 4.350 0.027 0.000 0.195 487 E C 0.621 176.774 176.600 -0.745 0.000 1.012 487 E CA 0.709 56.730 56.400 -0.632 0.000 0.875 487 E CB 0.288 29.759 29.700 -0.382 0.000 0.859 487 E HN 0.887 nan 8.360 nan 0.000 0.498 488 G N -0.057 107.888 108.800 -1.427 0.000 2.559 488 G HA2 0.242 4.218 3.960 0.027 0.000 0.235 488 G HA3 0.242 4.218 3.960 0.027 0.000 0.235 488 G C 0.818 175.571 174.900 -0.245 0.000 1.266 488 G CA 0.298 44.990 45.100 -0.679 0.000 0.847 488 G HN 0.355 nan 8.290 nan 0.000 0.583 489 G N -0.716 108.049 108.800 -0.058 0.000 2.160 489 G HA2 0.228 4.204 3.960 0.027 0.000 0.251 489 G HA3 0.228 4.204 3.960 0.027 0.000 0.251 489 G C 1.258 176.172 174.900 0.024 0.000 1.008 489 G CA 1.014 46.144 45.100 0.050 0.000 0.724 489 G HN 2.608 nan 8.290 nan 0.000 0.514 490 G N -1.635 107.172 108.800 0.012 0.000 2.205 490 G HA2 0.441 4.417 3.960 0.027 0.000 0.180 490 G HA3 0.441 4.417 3.960 0.027 0.000 0.180 490 G C 1.022 176.046 174.900 0.207 0.000 1.004 490 G CA 1.340 46.512 45.100 0.120 0.000 0.670 490 G HN 2.329 nan 8.290 nan 0.000 0.496 491 A N -0.123 122.696 122.820 -0.001 0.000 3.661 491 A HA -0.140 4.196 4.320 0.027 0.000 0.269 491 A C 1.099 178.607 177.584 -0.127 0.000 1.056 491 A CA 2.623 54.593 52.037 -0.111 0.000 1.159 491 A CB -1.782 17.124 19.000 -0.157 0.000 1.105 491 A HN 2.112 nan 8.150 nan 0.000 0.907 492 D N -0.692 119.717 120.400 0.015 0.000 2.760 492 D HA 0.314 4.970 4.640 0.027 0.000 0.314 492 D C 0.383 176.674 176.300 -0.016 0.000 1.464 492 D CA 0.889 54.901 54.000 0.020 0.000 0.797 492 D CB -1.089 39.858 40.800 0.245 0.000 1.149 492 D HN 0.822 nan 8.370 nan 0.000 0.455 493 T N -2.465 112.011 114.554 -0.129 0.000 2.753 493 T HA 0.217 4.583 4.350 0.027 0.000 0.309 493 T C 1.566 176.124 174.700 -0.237 0.000 1.043 493 T CA 0.448 62.406 62.100 -0.236 0.000 0.964 493 T CB 0.615 69.117 68.868 -0.611 0.000 1.206 493 T HN 0.056 nan 8.240 nan 0.000 0.528 494 T N -2.470 111.932 114.554 -0.252 0.000 3.163 494 T HA 0.263 4.629 4.350 0.027 0.000 0.260 494 T C 1.407 175.846 174.700 -0.434 0.000 1.156 494 T CA 0.207 62.174 62.100 -0.222 0.000 1.072 494 T CB -0.527 68.292 68.868 -0.080 0.000 0.937 494 T HN 0.821 nan 8.240 nan 0.000 0.528 495 A N 0.391 122.961 122.820 -0.416 0.000 2.500 495 A HA 0.530 4.866 4.320 0.027 0.000 0.267 495 A C 0.755 178.152 177.584 -0.311 0.000 1.290 495 A CA -0.365 51.404 52.037 -0.447 0.000 0.928 495 A CB 0.187 19.197 19.000 0.016 0.000 1.066 495 A HN 0.412 nan 8.150 nan 0.000 0.516 496 T N -1.288 113.100 114.554 -0.277 0.000 2.971 496 T HA 0.349 4.715 4.350 0.027 0.000 0.304 496 T C -0.710 174.006 174.700 0.028 0.000 1.038 496 T CA -0.416 61.677 62.100 -0.011 0.000 1.007 496 T CB 1.226 70.083 68.868 -0.020 0.000 1.055 496 T HN 0.075 nan 8.240 nan 0.000 0.451 497 D N 2.983 123.484 120.400 0.168 0.000 2.349 497 D HA 0.275 4.931 4.640 0.027 0.000 0.215 497 D C 0.309 176.644 176.300 0.057 0.000 1.016 497 D CA 0.695 54.782 54.000 0.145 0.000 0.870 497 D CB 0.401 41.316 40.800 0.192 0.000 0.917 497 D HN 0.539 nan 8.370 nan 0.000 0.524 498 I N 0.831 121.416 120.570 0.025 0.000 2.582 498 I HA 0.242 4.428 4.170 0.027 0.000 0.292 498 I C -0.201 175.853 176.117 -0.104 0.000 1.066 498 I CA -0.874 60.407 61.300 -0.031 0.000 1.053 498 I CB 2.903 40.897 38.000 -0.009 0.000 1.241 498 I HN -0.344 nan 8.210 nan 0.000 0.421 499 I N 5.726 126.187 120.570 -0.183 0.000 2.494 499 I HA 0.012 4.199 4.170 0.027 0.000 0.289 499 I C 0.318 176.226 176.117 -0.348 0.000 1.106 499 I CA 0.095 61.185 61.300 -0.350 0.000 1.369 499 I CB 0.055 37.736 38.000 -0.531 0.000 1.410 499 I HN 0.683 nan 8.210 nan 0.000 0.523 500 C N 5.831 124.945 119.300 -0.311 0.000 3.163 500 C HA 0.465 4.942 4.460 0.027 0.000 0.228 500 C C -2.075 172.785 174.990 -0.217 0.000 1.593 500 C CA -2.383 56.507 59.018 -0.213 0.000 1.489 500 C CB -1.043 26.631 27.740 -0.110 0.000 2.294 500 C HN 0.412 nan 8.230 nan 0.000 0.508 501 P HA 0.226 nan 4.420 nan 0.000 0.271 501 P C -0.365 176.888 177.300 -0.079 0.000 1.233 501 P CA 0.591 63.590 63.100 -0.168 0.000 0.789 501 P CB 0.640 32.271 31.700 -0.115 0.000 0.951 502 M N 0.038 119.614 119.600 -0.040 0.000 2.243 502 M HA 0.450 4.946 4.480 0.027 0.000 0.324 502 M C -0.723 175.533 176.300 -0.073 0.000 1.031 502 M CA -0.742 54.415 55.300 -0.239 0.000 0.949 502 M CB 1.254 33.686 32.600 -0.280 0.000 1.615 502 M HN 0.248 nan 8.290 nan 0.000 0.430 503 Y N -0.561 119.920 120.300 0.301 0.000 4.409 503 Y HA -0.214 4.353 4.550 0.028 0.000 0.228 503 Y C 0.534 176.626 175.900 0.319 0.000 1.108 503 Y CA 0.508 58.796 58.100 0.313 0.000 1.955 503 Y CB -2.525 36.104 38.460 0.282 0.000 1.615 503 Y HN 0.969 nan 8.280 nan 0.000 0.665 504 A N 1.045 124.101 122.820 0.394 0.000 2.425 504 A HA 0.565 4.902 4.320 0.027 0.000 0.249 504 A C 0.798 178.615 177.584 0.387 0.000 1.084 504 A CA -0.469 51.801 52.037 0.389 0.000 0.781 504 A CB 0.377 19.642 19.000 0.442 0.000 1.019 504 A HN 0.403 nan 8.150 nan 0.000 0.490 505 R N 1.431 122.079 120.500 0.246 0.000 2.543 505 R HA 0.342 4.699 4.340 0.027 0.000 0.268 505 R C 0.931 177.192 176.300 -0.065 0.000 1.067 505 R CA -0.733 55.430 56.100 0.105 0.000 1.142 505 R CB 0.601 30.939 30.300 0.065 0.000 1.110 505 R HN 0.474 nan 8.270 nan 0.000 0.549 506 V N 0.587 120.307 119.914 -0.325 0.000 2.283 506 V HA -0.183 3.953 4.120 0.027 0.000 0.243 506 V C 0.956 176.928 176.094 -0.203 0.000 1.039 506 V CA 1.810 63.878 62.300 -0.387 0.000 1.016 506 V CB -0.238 31.235 31.823 -0.583 0.000 0.650 506 V HN 0.740 nan 8.190 nan 0.000 0.449 507 D N -1.326 118.987 120.400 -0.144 0.000 2.454 507 D HA 0.101 4.757 4.640 0.027 0.000 0.214 507 D C 0.899 177.179 176.300 -0.034 0.000 1.088 507 D CA 0.088 54.040 54.000 -0.080 0.000 0.855 507 D CB 0.637 41.396 40.800 -0.068 0.000 1.025 507 D HN 0.469 nan 8.370 nan 0.000 0.502 508 E N 1.934 122.118 120.200 -0.027 0.000 2.167 508 E HA 0.096 4.462 4.350 0.027 0.000 0.284 508 E C -0.800 175.794 176.600 -0.010 0.000 1.016 508 E CA -0.591 55.802 56.400 -0.012 0.000 0.817 508 E CB 0.848 30.544 29.700 -0.007 0.000 1.080 508 E HN -0.157 nan 8.360 nan 0.000 0.397 509 D N 3.634 124.029 120.400 -0.008 0.000 2.341 509 D HA 0.097 4.753 4.640 0.027 0.000 0.245 509 D C -0.479 175.694 176.300 -0.210 0.000 1.106 509 D CA 0.298 54.276 54.000 -0.035 0.000 0.905 509 D CB 1.043 41.892 40.800 0.081 0.000 1.202 509 D HN 0.425 nan 8.370 nan 0.000 0.426 510 Q N 1.555 121.088 119.800 -0.445 0.000 2.674 510 Q HA 0.238 4.594 4.340 0.027 0.000 0.249 510 Q C -2.208 173.059 176.000 -1.221 0.000 1.011 510 Q CA -1.541 53.784 55.803 -0.797 0.000 0.734 510 Q CB 2.252 30.514 28.738 -0.793 0.000 1.201 510 Q HN 0.175 nan 8.270 nan 0.000 0.498 511 P HA 0.017 nan 4.420 nan 0.000 0.225 511 P C -0.677 176.262 177.300 -0.601 0.000 1.768 511 P CA -0.216 62.394 63.100 -0.816 0.000 0.943 511 P CB -0.565 30.884 31.700 -0.419 0.000 1.936 512 F N 2.156 121.918 119.950 -0.313 0.000 2.602 512 F HA 0.123 4.665 4.527 0.026 0.000 0.367 512 F C -1.175 174.510 175.800 -0.192 0.000 1.126 512 F CA -2.295 55.584 58.000 -0.201 0.000 1.321 512 F CB -1.211 37.694 39.000 -0.158 0.000 1.094 512 F HN 0.114 nan 8.300 nan 0.000 0.594 513 P HA 0.183 nan 4.420 nan 0.000 0.271 513 P C 0.415 177.727 177.300 0.020 0.000 1.216 513 P CA 0.914 64.024 63.100 0.016 0.000 0.776 513 P CB 1.186 32.898 31.700 0.020 0.000 0.881 514 A N 2.703 125.528 122.820 0.008 0.000 3.292 514 A HA -0.251 4.085 4.320 0.027 0.000 0.241 514 A C 0.746 178.341 177.584 0.018 0.000 0.569 514 A CA 2.114 54.164 52.037 0.021 0.000 1.149 514 A CB -2.695 16.319 19.000 0.024 0.000 1.321 514 A HN 0.693 nan 8.150 nan 0.000 0.679 515 V N -3.186 116.734 119.914 0.010 0.000 2.468 515 V HA 0.543 4.679 4.120 0.027 0.000 0.256 515 V C -2.330 173.755 176.094 -0.015 0.000 0.998 515 V CA -1.272 61.038 62.300 0.017 0.000 1.114 515 V CB 0.561 32.404 31.823 0.033 0.000 1.378 515 V HN 0.466 nan 8.190 nan 0.000 0.573 516 P HA 0.202 nan 4.420 nan 0.000 0.268 516 P C -0.557 176.321 177.300 -0.704 0.000 1.208 516 P CA 0.252 62.932 63.100 -0.699 0.000 0.777 516 P CB 0.943 31.701 31.700 -1.571 0.000 0.875 517 K N 2.291 122.316 120.400 -0.626 0.000 2.419 517 K HA 0.194 4.530 4.320 0.027 0.000 0.244 517 K C -0.402 175.901 176.600 -0.495 0.000 1.045 517 K CA -0.259 55.865 56.287 -0.272 0.000 1.004 517 K CB 0.341 32.943 32.500 0.171 0.000 1.376 517 K HN 0.474 nan 8.250 nan 0.000 0.460 518 W N 1.309 122.238 121.300 -0.618 0.000 2.126 518 W HA 0.045 4.722 4.660 0.028 0.000 0.346 518 W C 1.355 177.839 176.519 -0.058 0.000 1.279 518 W CA -0.410 56.675 57.345 -0.433 0.000 1.259 518 W CB 0.490 29.475 29.460 -0.792 0.000 1.133 518 W HN 0.371 nan 8.180 nan 0.000 0.592 519 S N 3.166 118.994 115.700 0.213 0.000 2.558 519 S HA -0.098 4.388 4.470 0.027 0.000 0.291 519 S C 1.219 175.961 174.600 0.236 0.000 1.306 519 S CA -0.046 58.241 58.200 0.145 0.000 1.056 519 S CB 0.176 63.414 63.200 0.063 0.000 0.836 519 S HN 0.518 nan 8.310 nan 0.000 0.504 520 I N 2.008 122.687 120.570 0.182 0.000 2.286 520 I HA -0.146 4.040 4.170 0.027 0.000 0.248 520 I C 2.021 178.165 176.117 0.045 0.000 1.115 520 I CA 1.336 62.748 61.300 0.187 0.000 1.392 520 I CB -0.421 37.633 38.000 0.090 0.000 1.065 520 I HN 0.601 nan 8.210 nan 0.000 0.418 521 K N 1.484 121.804 120.400 -0.133 0.000 2.097 521 K HA -0.147 4.189 4.320 0.027 0.000 0.205 521 K C 2.298 178.876 176.600 -0.037 0.000 1.050 521 K CA 1.618 57.730 56.287 -0.291 0.000 0.938 521 K CB -0.177 32.054 32.500 -0.449 0.000 0.718 521 K HN 0.390 nan 8.250 nan 0.000 0.442 522 K N 0.041 120.449 120.400 0.013 0.000 2.103 522 K HA -0.159 4.177 4.320 0.027 0.000 0.204 522 K C 1.847 178.469 176.600 0.037 0.000 1.052 522 K CA 0.781 57.070 56.287 0.002 0.000 0.945 522 K CB -0.060 32.411 32.500 -0.047 0.000 0.722 522 K HN 0.203 nan 8.250 nan 0.000 0.443 523 W N 2.180 123.455 121.300 -0.041 0.000 2.338 523 W HA -0.185 4.487 4.660 0.020 0.000 0.304 523 W C 1.614 178.107 176.519 -0.045 0.000 1.212 523 W CA 1.127 58.457 57.345 -0.025 0.000 1.264 523 W CB -0.633 28.886 29.460 0.099 0.000 1.142 523 W HN 0.085 nan 8.180 nan 0.000 0.512 524 L N 0.823 122.197 121.223 0.252 0.000 2.129 524 L HA -0.252 4.104 4.340 0.027 0.000 0.212 524 L C 2.176 179.109 176.870 0.105 0.000 1.087 524 L CA 2.015 56.937 54.840 0.137 0.000 0.757 524 L CB -1.008 41.119 42.059 0.113 0.000 0.896 524 L HN 0.006 nan 8.230 nan 0.000 0.434 525 S N -1.541 114.206 115.700 0.079 0.000 2.572 525 S HA 0.272 4.758 4.470 0.027 0.000 0.228 525 S C 0.541 175.127 174.600 -0.023 0.000 0.963 525 S CA -0.557 57.661 58.200 0.030 0.000 0.939 525 S CB -0.360 62.858 63.200 0.030 0.000 0.804 525 S HN 0.146 nan 8.310 nan 0.000 0.480 526 L N 1.762 122.961 121.223 -0.040 0.000 2.482 526 L HA 0.251 4.607 4.340 0.027 0.000 0.273 526 L C -2.205 174.629 176.870 -0.061 0.000 1.228 526 L CA -1.819 52.946 54.840 -0.125 0.000 0.827 526 L CB -0.301 41.655 42.059 -0.172 0.000 1.099 526 L HN 0.029 nan 8.230 nan 0.000 0.494 527 P HA 0.003 nan 4.420 nan 0.000 0.262 527 P C 0.672 177.963 177.300 -0.015 0.000 1.182 527 P CA 0.990 64.064 63.100 -0.043 0.000 0.761 527 P CB 0.602 32.272 31.700 -0.051 0.000 0.795 528 G N 1.705 110.503 108.800 -0.004 0.000 2.245 528 G HA2 -0.284 3.692 3.960 0.027 0.000 0.264 528 G HA3 -0.284 3.692 3.960 0.027 0.000 0.264 528 G C 0.310 175.223 174.900 0.022 0.000 0.985 528 G CA 0.183 45.288 45.100 0.010 0.000 0.625 528 G HN 0.609 nan 8.290 nan 0.000 0.536 529 E N 1.036 121.254 120.200 0.029 0.000 2.338 529 E HA 0.590 4.956 4.350 0.027 0.000 0.272 529 E C 1.324 177.945 176.600 0.035 0.000 1.029 529 E CA 0.720 57.149 56.400 0.047 0.000 0.872 529 E CB 0.737 30.490 29.700 0.088 0.000 1.015 529 E HN 0.531 nan 8.360 nan 0.000 0.417 530 T N 0.607 115.178 114.554 0.029 0.000 3.130 530 T HA 0.328 4.694 4.350 0.027 0.000 0.288 530 T C 0.542 175.249 174.700 0.012 0.000 0.936 530 T CA -0.499 61.613 62.100 0.021 0.000 0.897 530 T CB 0.072 68.952 68.868 0.020 0.000 1.178 530 T HN 0.240 nan 8.240 nan 0.000 0.543 531 R N 2.469 122.971 120.500 0.004 0.000 2.637 531 R HA 0.445 4.801 4.340 0.027 0.000 0.269 531 R C -2.478 173.801 176.300 -0.035 0.000 1.089 531 R CA -1.781 54.311 56.100 -0.014 0.000 1.177 531 R CB 0.150 30.434 30.300 -0.028 0.000 1.091 531 R HN 0.231 nan 8.270 nan 0.000 0.540 532 P HA 0.086 nan 4.420 nan 0.000 0.274 532 P C -1.094 176.140 177.300 -0.110 0.000 1.237 532 P CA -0.123 62.938 63.100 -0.066 0.000 0.793 532 P CB 0.759 32.420 31.700 -0.064 0.000 0.977 533 L N 2.499 123.638 121.223 -0.140 0.000 2.381 533 L HA 0.579 4.935 4.340 0.027 0.000 0.274 533 L C -1.003 175.735 176.870 -0.219 0.000 0.988 533 L CA -0.721 53.999 54.840 -0.200 0.000 0.824 533 L CB 0.763 42.700 42.059 -0.203 0.000 1.263 533 L HN 0.237 nan 8.230 nan 0.000 0.410 534 I N 5.689 126.136 120.570 -0.205 0.000 2.497 534 I HA 0.251 4.437 4.170 0.027 0.000 0.284 534 I C -0.753 175.285 176.117 -0.132 0.000 1.060 534 I CA -0.519 60.647 61.300 -0.224 0.000 1.071 534 I CB 1.913 39.836 38.000 -0.129 0.000 1.216 534 I HN 0.469 nan 8.210 nan 0.000 0.442 535 L N 5.582 126.701 121.223 -0.174 0.000 2.499 535 L HA -0.005 4.351 4.340 0.027 0.000 0.273 535 L C 1.524 178.493 176.870 0.164 0.000 1.195 535 L CA -0.036 54.778 54.840 -0.042 0.000 0.882 535 L CB 0.471 42.495 42.059 -0.057 0.000 1.133 535 L HN 0.856 nan 8.230 nan 0.000 0.483 536 C N 0.717 120.087 119.300 0.117 0.000 2.468 536 C HA 0.105 4.581 4.460 0.027 0.000 0.277 536 C C 0.726 175.881 174.990 0.275 0.000 1.400 536 C CA -0.164 58.970 59.018 0.193 0.000 1.770 536 C CB -0.977 26.785 27.740 0.036 0.000 1.905 536 C HN 0.817 nan 8.230 nan 0.000 0.519 537 Q N -0.353 119.541 119.800 0.156 0.000 2.281 537 Q HA 0.598 4.954 4.340 0.027 0.000 0.263 537 Q C -1.516 174.483 176.000 -0.002 0.000 0.989 537 Q CA -0.329 55.561 55.803 0.145 0.000 0.852 537 Q CB 2.432 31.047 28.738 -0.205 0.000 1.337 537 Q HN 0.688 nan 8.270 nan 0.000 0.418 538 Y N -0.112 120.234 120.300 0.077 0.000 2.609 538 Y HA 0.809 5.377 4.550 0.029 0.000 0.336 538 Y C -0.725 175.351 175.900 0.292 0.000 1.129 538 Y CA -0.802 57.326 58.100 0.046 0.000 1.040 538 Y CB 0.601 38.913 38.460 -0.246 0.000 1.310 538 Y HN 0.944 nan 8.280 nan 0.000 0.460 539 A N 1.429 124.350 122.820 0.168 0.000 2.490 539 A HA 0.077 4.413 4.320 0.027 0.000 0.684 539 A C -1.160 176.678 177.584 0.423 0.000 0.174 539 A CA 0.616 52.769 52.037 0.193 0.000 0.057 539 A CB -1.454 17.598 19.000 0.086 0.000 3.963 539 A HN 1.866 nan 8.150 nan 0.000 0.547 540 H N 0.742 119.947 119.070 0.224 0.000 3.021 540 H HA 0.505 5.076 4.556 0.027 0.000 0.293 540 H C 0.105 175.505 175.328 0.121 0.000 1.244 540 H CA 0.299 56.528 56.048 0.301 0.000 1.596 540 H CB 0.619 30.458 29.762 0.130 0.000 1.720 540 H HN 1.609 nan 8.280 nan 0.000 0.537 541 A N 6.186 128.928 122.820 -0.130 0.000 2.958 541 A HA 0.126 4.462 4.320 0.027 0.000 0.247 541 A C 0.680 178.066 177.584 -0.331 0.000 1.679 541 A CA -0.319 51.588 52.037 -0.217 0.000 1.345 541 A CB -0.769 18.103 19.000 -0.213 0.000 1.013 541 A HN 0.703 nan 8.150 nan 0.000 0.641 542 M N 1.593 121.005 119.600 -0.314 0.000 2.084 542 M HA 0.482 4.978 4.480 0.027 0.000 0.351 542 M C 0.854 176.916 176.300 -0.397 0.000 1.240 542 M CA 1.116 56.218 55.300 -0.329 0.000 1.083 542 M CB 0.087 32.577 32.600 -0.182 0.000 1.593 542 M HN 0.885 nan 8.290 nan 0.000 0.463 543 G N 4.145 112.631 108.800 -0.523 0.000 2.552 543 G HA2 -0.325 3.651 3.960 0.027 0.000 0.265 543 G HA3 -0.325 3.651 3.960 0.027 0.000 0.265 543 G C -0.332 173.978 174.900 -0.983 0.000 1.234 543 G CA -0.113 44.538 45.100 -0.748 0.000 0.944 543 G HN 0.861 nan 8.290 nan 0.000 0.568 544 N N 1.104 119.121 118.700 -1.139 0.000 2.421 544 N HA 0.482 5.238 4.740 0.027 0.000 0.260 544 N C 0.092 175.313 175.510 -0.482 0.000 1.173 544 N CA 1.129 53.681 53.050 -0.831 0.000 0.960 544 N CB 0.528 38.564 38.487 -0.752 0.000 1.273 544 N HN 0.866 nan 8.380 nan 0.000 0.497 545 S N 2.214 117.707 115.700 -0.346 0.000 3.121 545 S HA 0.571 5.057 4.470 0.027 0.000 0.324 545 S C -0.156 174.355 174.600 -0.149 0.000 1.192 545 S CA -0.330 57.732 58.200 -0.229 0.000 0.937 545 S CB -0.007 63.066 63.200 -0.211 0.000 1.336 545 S HN 0.376 nan 8.310 nan 0.000 0.664 546 L N 0.120 121.299 121.223 -0.073 0.000 4.613 546 L HA -0.062 4.294 4.340 0.027 0.000 0.409 546 L C 0.519 177.429 176.870 0.066 0.000 1.100 546 L CA 0.911 55.743 54.840 -0.013 0.000 1.029 546 L CB -1.738 40.225 42.059 -0.160 0.000 2.137 546 L HN 0.727 nan 8.230 nan 0.000 0.713 547 G N -0.843 107.965 108.800 0.012 0.000 2.365 547 G HA2 0.474 4.450 3.960 0.027 0.000 0.249 547 G HA3 0.474 4.450 3.960 0.027 0.000 0.249 547 G C 1.229 176.176 174.900 0.078 0.000 1.288 547 G CA 0.172 45.261 45.100 -0.020 0.000 0.887 547 G HN 1.355 nan 8.290 nan 0.000 0.524 548 G N 1.704 110.549 108.800 0.075 0.000 2.175 548 G HA2 -0.314 3.662 3.960 0.027 0.000 0.244 548 G HA3 -0.314 3.662 3.960 0.027 0.000 0.244 548 G C 1.030 176.121 174.900 0.318 0.000 0.982 548 G CA 0.726 45.927 45.100 0.170 0.000 0.641 548 G HN 0.747 nan 8.290 nan 0.000 0.527 549 F N 1.951 122.025 119.950 0.207 0.000 2.126 549 F HA 0.133 4.677 4.527 0.028 0.000 0.299 549 F C 2.709 178.729 175.800 0.367 0.000 1.096 549 F CA 2.591 60.789 58.000 0.331 0.000 1.255 549 F CB -0.407 38.730 39.000 0.228 0.000 0.997 549 F HN 0.344 nan 8.300 nan 0.000 0.479 550 A N -0.410 122.604 122.820 0.324 0.000 2.019 550 A HA -0.238 4.098 4.320 0.027 0.000 0.219 550 A C 2.269 179.893 177.584 0.066 0.000 1.164 550 A CA 1.704 53.860 52.037 0.199 0.000 0.644 550 A CB -0.815 18.300 19.000 0.192 0.000 0.805 550 A HN 0.459 nan 8.150 nan 0.000 0.449 551 K N -1.617 118.798 120.400 0.026 0.000 2.147 551 K HA -0.171 4.165 4.320 0.027 0.000 0.205 551 K C 1.637 178.022 176.600 -0.360 0.000 1.049 551 K CA 1.538 57.752 56.287 -0.123 0.000 0.936 551 K CB -0.289 32.146 32.500 -0.108 0.000 0.722 551 K HN 0.568 nan 8.250 nan 0.000 0.446 552 Y N -0.862 119.165 120.300 -0.456 0.000 2.163 552 Y HA -0.208 4.357 4.550 0.025 0.000 0.288 552 Y C 1.950 176.907 175.900 -1.571 0.000 1.136 552 Y CA 1.500 58.964 58.100 -1.060 0.000 1.147 552 Y CB -0.358 37.420 38.460 -1.136 0.000 0.987 552 Y HN 0.154 nan 8.280 nan 0.000 0.509 553 W N 0.072 120.978 121.300 -0.657 0.000 2.363 553 W HA -0.193 4.485 4.660 0.030 0.000 0.296 553 W C 2.611 178.969 176.519 -0.268 0.000 1.212 553 W CA 1.527 58.613 57.345 -0.432 0.000 1.260 553 W CB -0.525 28.779 29.460 -0.261 0.000 1.131 553 W HN 0.048 nan 8.180 nan 0.000 0.530 554 Q N 0.669 120.392 119.800 -0.128 0.000 2.119 554 Q HA -0.146 4.211 4.340 0.027 0.000 0.201 554 Q C 2.169 178.111 176.000 -0.097 0.000 0.972 554 Q CA 1.897 57.665 55.803 -0.058 0.000 0.847 554 Q CB -0.467 28.248 28.738 -0.037 0.000 0.903 554 Q HN 0.274 nan 8.270 nan 0.000 0.433 555 A N 0.139 122.802 122.820 -0.262 0.000 1.898 555 A HA -0.119 4.217 4.320 0.027 0.000 0.216 555 A C 1.795 179.332 177.584 -0.078 0.000 1.181 555 A CA 1.038 52.948 52.037 -0.211 0.000 0.620 555 A CB -0.759 17.991 19.000 -0.417 0.000 0.819 555 A HN 0.355 nan 8.150 nan 0.000 0.442 556 F N 0.231 119.998 119.950 -0.305 0.000 2.161 556 F HA -0.109 4.434 4.527 0.027 0.000 0.300 556 F C 2.484 178.186 175.800 -0.164 0.000 1.089 556 F CA 1.238 59.032 58.000 -0.344 0.000 1.282 556 F CB -0.801 37.764 39.000 -0.725 0.000 1.010 556 F HN 0.183 nan 8.300 nan 0.000 0.485 557 R N -0.330 120.227 120.500 0.094 0.000 2.148 557 R HA -0.133 4.223 4.340 0.027 0.000 0.223 557 R C 2.120 178.459 176.300 0.065 0.000 1.088 557 R CA 1.029 57.172 56.100 0.072 0.000 0.985 557 R CB -0.350 29.989 30.300 0.064 0.000 0.880 557 R HN 0.375 nan 8.270 nan 0.000 0.451 558 Q N -0.420 119.447 119.800 0.112 0.000 2.212 558 Q HA -0.044 4.312 4.340 0.027 0.000 0.199 558 Q C -0.484 175.544 176.000 0.046 0.000 0.950 558 Q CA 0.834 56.690 55.803 0.088 0.000 0.863 558 Q CB 0.398 29.225 28.738 0.148 0.000 0.944 558 Q HN 0.182 nan 8.270 nan 0.000 0.465 559 Y N 0.297 120.579 120.300 -0.030 0.000 2.353 559 Y HA 0.273 4.837 4.550 0.024 0.000 0.340 559 Y C -1.778 174.098 175.900 -0.040 0.000 0.972 559 Y CA -2.774 55.309 58.100 -0.030 0.000 1.157 559 Y CB 1.483 39.929 38.460 -0.022 0.000 1.157 559 Y HN 0.117 nan 8.280 nan 0.000 0.495 560 P HA -0.182 nan 4.420 nan 0.000 0.215 560 P C 1.180 178.484 177.300 0.007 0.000 1.157 560 P CA 1.875 64.979 63.100 0.006 0.000 0.874 560 P CB 0.302 31.989 31.700 -0.021 0.000 0.790 561 R N -1.198 119.324 120.500 0.036 0.000 2.316 561 R HA 0.065 4.421 4.340 0.027 0.000 0.202 561 R C 0.488 176.770 176.300 -0.030 0.000 1.029 561 R CA 0.163 56.265 56.100 0.004 0.000 1.018 561 R CB -0.561 29.752 30.300 0.022 0.000 0.888 561 R HN 0.242 nan 8.270 nan 0.000 0.471 562 L N 1.812 123.036 121.223 0.002 0.000 2.312 562 L HA 0.113 4.469 4.340 0.027 0.000 0.287 562 L C 0.593 177.325 176.870 -0.230 0.000 1.091 562 L CA 0.188 54.981 54.840 -0.078 0.000 0.846 562 L CB 1.108 43.193 42.059 0.044 0.000 1.219 562 L HN 0.086 nan 8.230 nan 0.000 0.439 563 Q N 2.809 122.395 119.800 -0.358 0.000 2.201 563 Q HA 0.314 4.670 4.340 0.027 0.000 0.217 563 Q C 0.787 176.371 176.000 -0.693 0.000 0.860 563 Q CA 0.089 55.643 55.803 -0.415 0.000 0.984 563 Q CB 1.049 29.638 28.738 -0.248 0.000 1.095 563 Q HN 0.960 nan 8.270 nan 0.000 0.477 564 G N -0.383 107.620 108.800 -1.328 0.000 2.378 564 G HA2 0.147 4.123 3.960 0.027 0.000 0.198 564 G HA3 0.147 4.123 3.960 0.027 0.000 0.198 564 G C -0.395 173.663 174.900 -1.403 0.000 1.223 564 G CA -0.734 43.253 45.100 -1.855 0.000 1.088 564 G HN 0.543 nan 8.290 nan 0.000 0.530 565 G N -2.107 106.181 108.800 -0.853 0.000 2.356 565 G HA2 0.632 4.608 3.960 0.027 0.000 0.294 565 G HA3 0.632 4.608 3.960 0.027 0.000 0.294 565 G C -1.816 173.012 174.900 -0.121 0.000 1.423 565 G CA -0.338 44.484 45.100 -0.463 0.000 0.806 565 G HN 1.128 nan 8.290 nan 0.000 0.527 566 F N 0.749 120.963 119.950 0.441 0.000 2.403 566 F HA 0.510 5.051 4.527 0.025 0.000 0.355 566 F C 0.822 176.907 175.800 0.474 0.000 1.119 566 F CA -0.757 57.505 58.000 0.437 0.000 1.007 566 F CB 2.036 41.195 39.000 0.265 0.000 1.194 566 F HN 0.257 nan 8.300 nan 0.000 0.443 567 V N 3.469 123.673 119.914 0.482 0.000 2.872 567 V HA -0.146 3.990 4.120 0.027 0.000 0.307 567 V C -0.246 175.993 176.094 0.241 0.000 1.072 567 V CA -0.184 62.194 62.300 0.130 0.000 1.148 567 V CB 0.734 32.682 31.823 0.209 0.000 0.954 567 V HN 0.753 nan 8.190 nan 0.000 0.490 568 W N 6.455 127.831 121.300 0.127 0.000 2.296 568 W HA 0.440 5.116 4.660 0.026 0.000 0.316 568 W C -0.821 175.736 176.519 0.063 0.000 1.022 568 W CA -0.679 56.790 57.345 0.206 0.000 1.324 568 W CB 1.329 31.077 29.460 0.480 0.000 1.227 568 W HN 0.910 nan 8.180 nan 0.000 0.409 569 D N 2.755 122.843 120.400 -0.520 0.000 2.895 569 D HA 0.099 4.755 4.640 0.027 0.000 0.320 569 D C 0.676 176.795 176.300 -0.302 0.000 1.249 569 D CA -0.537 53.053 54.000 -0.682 0.000 0.997 569 D CB 0.237 40.125 40.800 -1.519 0.000 1.430 569 D HN 0.421 nan 8.370 nan 0.000 0.558 570 W N 0.430 121.473 121.300 -0.428 0.000 2.413 570 W HA 0.140 4.816 4.660 0.027 0.000 0.315 570 W C -0.116 176.258 176.519 -0.242 0.000 1.186 570 W CA 1.064 58.216 57.345 -0.322 0.000 1.326 570 W CB 0.333 29.614 29.460 -0.298 0.000 1.153 570 W HN 0.141 nan 8.180 nan 0.000 0.489 571 V N 2.722 122.437 119.914 -0.332 0.000 2.656 571 V HA 0.246 4.382 4.120 0.027 0.000 0.307 571 V C -0.880 175.068 176.094 -0.244 0.000 1.051 571 V CA -0.795 61.274 62.300 -0.385 0.000 0.893 571 V CB 1.519 33.199 31.823 -0.238 0.000 0.999 571 V HN -0.095 nan 8.190 nan 0.000 0.426 572 D N 4.104 124.370 120.400 -0.224 0.000 2.488 572 D HA 0.110 4.766 4.640 0.027 0.000 0.238 572 D C 0.242 176.392 176.300 -0.249 0.000 1.138 572 D CA 0.621 54.515 54.000 -0.176 0.000 0.873 572 D CB 0.894 41.652 40.800 -0.071 0.000 1.183 572 D HN 0.608 nan 8.370 nan 0.000 0.458 573 Q N 1.209 120.779 119.800 -0.384 0.000 3.207 573 Q HA 0.143 4.500 4.340 0.027 0.000 0.335 573 Q C -0.139 175.748 176.000 -0.189 0.000 1.374 573 Q CA -0.336 54.962 55.803 -0.843 0.000 1.023 573 Q CB 0.079 28.470 28.738 -0.578 0.000 1.576 573 Q HN 0.357 nan 8.270 nan 0.000 0.515 574 S N 0.067 115.784 115.700 0.029 0.000 2.616 574 S HA 0.658 5.145 4.470 0.027 0.000 0.277 574 S C -0.142 174.599 174.600 0.235 0.000 1.234 574 S CA -0.787 57.554 58.200 0.235 0.000 1.028 574 S CB 1.485 64.818 63.200 0.222 0.000 0.988 574 S HN 0.346 nan 8.310 nan 0.000 0.522 575 L N 1.660 122.940 121.223 0.096 0.000 2.354 575 L HA 0.533 4.889 4.340 0.027 0.000 0.269 575 L C -0.481 176.275 176.870 -0.190 0.000 1.005 575 L CA -1.203 53.577 54.840 -0.100 0.000 0.819 575 L CB 1.490 43.354 42.059 -0.325 0.000 1.311 575 L HN 0.550 nan 8.230 nan 0.000 0.423 576 I N 2.337 122.744 120.570 -0.271 0.000 2.441 576 I HA 0.264 4.450 4.170 0.027 0.000 0.287 576 I C 0.169 175.879 176.117 -0.678 0.000 1.049 576 I CA -0.009 61.004 61.300 -0.479 0.000 1.381 576 I CB 1.041 38.780 38.000 -0.435 0.000 1.409 576 I HN 0.581 nan 8.210 nan 0.000 0.523 577 K N 5.347 125.063 120.400 -1.140 0.000 2.352 577 K HA 0.566 4.902 4.320 0.027 0.000 0.240 577 K C -1.533 174.259 176.600 -1.347 0.000 1.017 577 K CA -0.715 54.845 56.287 -1.211 0.000 0.851 577 K CB 2.174 33.691 32.500 -1.639 0.000 1.261 577 K HN 0.236 nan 8.250 nan 0.000 0.451 578 Y N 0.872 120.953 120.300 -0.364 0.000 2.376 578 Y HA 0.127 4.693 4.550 0.027 0.000 0.340 578 Y C 0.141 176.156 175.900 0.193 0.000 0.965 578 Y CA -1.107 56.959 58.100 -0.058 0.000 1.078 578 Y CB 1.227 39.660 38.460 -0.044 0.000 1.193 578 Y HN 0.677 nan 8.280 nan 0.000 0.452 579 D N 0.018 120.680 120.400 0.435 0.000 2.414 579 D HA 0.016 4.672 4.640 0.027 0.000 0.259 579 D C 0.846 177.256 176.300 0.183 0.000 1.269 579 D CA -0.363 53.822 54.000 0.307 0.000 1.028 579 D CB 0.457 41.361 40.800 0.173 0.000 1.093 579 D HN 0.728 nan 8.370 nan 0.000 0.545 580 E N -0.797 119.468 120.200 0.108 0.000 2.209 580 E HA -0.238 4.128 4.350 0.027 0.000 0.196 580 E C 0.765 177.401 176.600 0.061 0.000 0.993 580 E CA 1.048 57.488 56.400 0.066 0.000 0.819 580 E CB -0.502 29.218 29.700 0.033 0.000 0.745 580 E HN 0.304 nan 8.360 nan 0.000 0.477 581 N N 0.202 118.947 118.700 0.075 0.000 2.336 581 N HA 0.067 4.823 4.740 0.027 0.000 0.189 581 N C 0.974 176.533 175.510 0.081 0.000 1.113 581 N CA 0.850 53.938 53.050 0.064 0.000 0.858 581 N CB 1.215 39.735 38.487 0.056 0.000 0.970 581 N HN 0.439 nan 8.380 nan 0.000 0.471 582 G N 0.711 109.583 108.800 0.120 0.000 2.176 582 G HA2 -0.252 3.724 3.960 0.027 0.000 0.253 582 G HA3 -0.252 3.724 3.960 0.027 0.000 0.253 582 G C -0.101 174.944 174.900 0.242 0.000 0.979 582 G CA -0.333 44.845 45.100 0.130 0.000 0.641 582 G HN 0.282 nan 8.290 nan 0.000 0.530 583 N N 1.980 120.817 118.700 0.228 0.000 2.499 583 N HA 0.443 5.200 4.740 0.027 0.000 0.281 583 N C -2.396 173.259 175.510 0.241 0.000 1.098 583 N CA -1.077 52.105 53.050 0.221 0.000 0.979 583 N CB 1.590 40.170 38.487 0.154 0.000 1.121 583 N HN 0.191 nan 8.380 nan 0.000 0.466 584 P HA 0.240 nan 4.420 nan 0.000 0.274 584 P C -0.484 176.788 177.300 -0.046 0.000 1.231 584 P CA -0.271 62.709 63.100 -0.200 0.000 0.790 584 P CB 0.681 32.260 31.700 -0.202 0.000 0.951 585 W N -0.868 120.195 121.300 -0.395 0.000 3.167 585 W HA 0.426 5.102 4.660 0.027 0.000 0.324 585 W C -1.501 174.841 176.519 -0.294 0.000 1.230 585 W CA -1.048 56.083 57.345 -0.357 0.000 1.184 585 W CB 0.379 29.423 29.460 -0.692 0.000 1.414 585 W HN 0.110 nan 8.180 nan 0.000 0.551 586 S N 1.659 117.432 115.700 0.121 0.000 2.474 586 S HA 0.581 5.067 4.470 0.027 0.000 0.276 586 S C 0.168 174.926 174.600 0.264 0.000 1.227 586 S CA -0.213 58.052 58.200 0.108 0.000 1.050 586 S CB 0.849 64.171 63.200 0.202 0.000 0.939 586 S HN 0.613 nan 8.310 nan 0.000 0.490 587 A N 2.968 125.807 122.820 0.032 0.000 2.330 587 A HA 0.915 5.251 4.320 0.027 0.000 0.329 587 A C -0.744 177.081 177.584 0.403 0.000 1.135 587 A CA -0.777 51.330 52.037 0.118 0.000 0.817 587 A CB 0.774 19.543 19.000 -0.386 0.000 1.269 587 A HN 0.836 nan 8.150 nan 0.000 0.469 588 Y N -0.980 119.634 120.300 0.523 0.000 3.048 588 Y HA 0.770 5.336 4.550 0.027 0.000 0.305 588 Y C 0.728 177.005 175.900 0.629 0.000 1.538 588 Y CA -1.314 57.106 58.100 0.532 0.000 1.082 588 Y CB -0.148 38.456 38.460 0.239 0.000 1.388 588 Y HN 0.921 nan 8.280 nan 0.000 0.557 589 G N -0.199 109.022 108.800 0.703 0.000 2.287 589 G HA2 0.357 4.333 3.960 0.027 0.000 0.235 589 G HA3 0.357 4.333 3.960 0.027 0.000 0.235 589 G C 0.982 176.194 174.900 0.519 0.000 1.258 589 G CA 0.475 45.904 45.100 0.550 0.000 0.884 589 G HN 1.964 nan 8.290 nan 0.000 0.518 590 G N 2.132 111.199 108.800 0.445 0.000 2.253 590 G HA2 -0.288 3.688 3.960 0.027 0.000 0.251 590 G HA3 -0.288 3.688 3.960 0.027 0.000 0.251 590 G C 0.926 176.000 174.900 0.290 0.000 0.998 590 G CA 0.706 46.003 45.100 0.329 0.000 0.621 590 G HN 0.649 nan 8.290 nan 0.000 0.524 591 D N -0.273 120.308 120.400 0.300 0.000 2.371 591 D HA 0.122 4.778 4.640 0.027 0.000 0.221 591 D C 1.331 177.453 176.300 -0.295 0.000 0.986 591 D CA 0.515 54.523 54.000 0.013 0.000 0.899 591 D CB -0.189 40.569 40.800 -0.069 0.000 0.902 591 D HN 0.489 nan 8.370 nan 0.000 0.530 592 F N -0.849 119.221 119.950 0.200 0.000 2.654 592 F HA 0.301 4.844 4.527 0.027 0.000 0.303 592 F C 1.766 177.648 175.800 0.137 0.000 1.099 592 F CA -0.138 57.940 58.000 0.131 0.000 1.270 592 F CB 0.845 39.928 39.000 0.138 0.000 1.024 592 F HN -0.045 nan 8.300 nan 0.000 0.548 593 G N 0.338 109.277 108.800 0.233 0.000 2.176 593 G HA2 -0.267 3.709 3.960 0.027 0.000 0.253 593 G HA3 -0.267 3.709 3.960 0.027 0.000 0.253 593 G C -0.250 174.780 174.900 0.217 0.000 0.979 593 G CA 0.105 45.317 45.100 0.186 0.000 0.641 593 G HN 0.382 nan 8.290 nan 0.000 0.530 594 D N 0.524 121.101 120.400 0.295 0.000 2.390 594 D HA 0.518 5.174 4.640 0.027 0.000 0.249 594 D C 0.192 176.604 176.300 0.185 0.000 1.144 594 D CA 0.900 55.059 54.000 0.265 0.000 0.880 594 D CB 1.642 42.653 40.800 0.351 0.000 1.182 594 D HN 0.462 nan 8.370 nan 0.000 0.451 595 T N 0.741 115.376 114.554 0.134 0.000 3.047 595 T HA 0.423 4.789 4.350 0.027 0.000 0.340 595 T C -2.781 171.950 174.700 0.051 0.000 1.421 595 T CA -1.139 61.013 62.100 0.085 0.000 1.090 595 T CB 1.024 69.945 68.868 0.088 0.000 1.292 595 T HN 0.222 nan 8.240 nan 0.000 0.480 596 P HA 0.488 nan 4.420 nan 0.000 0.271 596 P C -0.951 176.332 177.300 -0.028 0.000 1.244 596 P CA -0.284 62.811 63.100 -0.009 0.000 0.793 596 P CB 0.281 31.952 31.700 -0.048 0.000 0.984 597 N N -1.938 116.740 118.700 -0.036 0.000 2.610 597 N HA 0.268 5.024 4.740 0.027 0.000 0.264 597 N C -1.078 174.368 175.510 -0.107 0.000 1.348 597 N CA -0.741 52.261 53.050 -0.080 0.000 0.819 597 N CB 0.864 39.392 38.487 0.068 0.000 1.521 597 N HN 0.101 nan 8.380 nan 0.000 0.497 598 D N -0.283 119.989 120.400 -0.214 0.000 2.559 598 D HA 0.124 4.780 4.640 0.027 0.000 0.234 598 D C 0.447 176.944 176.300 0.329 0.000 1.226 598 D CA -0.078 53.882 54.000 -0.066 0.000 0.830 598 D CB 0.238 40.830 40.800 -0.347 0.000 1.028 598 D HN 0.724 nan 8.370 nan 0.000 0.492 599 R N 0.877 121.577 120.500 0.333 0.000 3.682 599 R HA -0.323 4.033 4.340 0.027 0.000 0.519 599 R C 1.136 177.538 176.300 0.170 0.000 0.241 599 R CA 1.595 57.913 56.100 0.363 0.000 1.619 599 R CB -1.602 28.830 30.300 0.221 0.000 0.923 599 R HN 0.132 nan 8.270 nan 0.000 0.598 600 Q N 1.457 121.008 119.800 -0.414 0.000 2.482 600 Q HA 0.000 4.356 4.340 0.027 0.000 0.209 600 Q C 1.519 177.250 176.000 -0.448 0.000 0.961 600 Q CA 1.272 56.613 55.803 -0.770 0.000 0.945 600 Q CB 0.066 28.069 28.738 -1.225 0.000 1.012 600 Q HN 0.606 nan 8.270 nan 0.000 0.515 601 F N 1.538 121.433 119.950 -0.092 0.000 2.641 601 F HA -0.086 4.457 4.527 0.027 0.000 0.298 601 F C 2.115 177.876 175.800 -0.065 0.000 1.146 601 F CA 0.836 58.849 58.000 0.022 0.000 1.464 601 F CB -0.202 38.886 39.000 0.147 0.000 1.101 601 F HN 0.404 nan 8.300 nan 0.000 0.585 602 C N -1.373 117.685 119.300 -0.403 0.000 2.576 602 C HA 0.249 4.725 4.460 0.027 0.000 0.267 602 C C 0.934 175.728 174.990 -0.328 0.000 1.364 602 C CA -0.493 58.065 59.018 -0.768 0.000 1.723 602 C CB -1.745 24.957 27.740 -1.730 0.000 1.778 602 C HN 0.195 nan 8.230 nan 0.000 0.572 603 M N 2.466 121.932 119.600 -0.223 0.000 2.023 603 M HA 0.291 4.788 4.480 0.027 0.000 0.325 603 M C -0.483 175.705 176.300 -0.187 0.000 0.963 603 M CA 0.308 55.501 55.300 -0.177 0.000 0.928 603 M CB 0.325 32.843 32.600 -0.136 0.000 1.429 603 M HN 0.320 nan 8.290 nan 0.000 0.404 604 N N 1.078 119.670 118.700 -0.179 0.000 2.307 604 N HA 0.219 4.975 4.740 0.027 0.000 0.248 604 N C 0.166 175.500 175.510 -0.295 0.000 1.322 604 N CA -0.550 52.352 53.050 -0.247 0.000 0.861 604 N CB 1.313 39.734 38.487 -0.111 0.000 1.303 604 N HN 0.672 nan 8.380 nan 0.000 0.498 605 G N -0.113 108.527 108.800 -0.267 0.000 2.462 605 G HA2 0.384 4.360 3.960 0.027 0.000 0.319 605 G HA3 0.384 4.360 3.960 0.027 0.000 0.319 605 G C 0.714 175.477 174.900 -0.228 0.000 1.171 605 G CA -0.571 44.351 45.100 -0.296 0.000 0.920 605 G HN 0.087 nan 8.290 nan 0.000 0.499 606 L N -0.225 120.814 121.223 -0.307 0.000 2.291 606 L HA 0.087 4.443 4.340 0.027 0.000 0.214 606 L C 0.937 177.607 176.870 -0.333 0.000 1.120 606 L CA 0.514 55.205 54.840 -0.249 0.000 0.799 606 L CB -0.332 41.567 42.059 -0.266 0.000 0.925 606 L HN 0.388 nan 8.230 nan 0.000 0.446 607 V N -5.164 114.376 119.914 -0.623 0.000 3.001 607 V HA 0.468 4.604 4.120 0.027 0.000 0.314 607 V C -0.222 175.483 176.094 -0.648 0.000 1.099 607 V CA -1.257 60.626 62.300 -0.694 0.000 0.989 607 V CB 1.627 32.975 31.823 -0.791 0.000 1.040 607 V HN -0.164 nan 8.190 nan 0.000 0.434 608 F N 1.490 121.048 119.950 -0.653 0.000 2.440 608 F HA 0.565 5.108 4.527 0.027 0.000 0.323 608 F C 1.907 177.540 175.800 -0.278 0.000 1.192 608 F CA 0.701 58.435 58.000 -0.445 0.000 1.252 608 F CB 0.915 39.677 39.000 -0.398 0.000 1.214 608 F HN 0.782 nan 8.300 nan 0.000 0.578 609 A N 0.736 123.589 122.820 0.055 0.000 1.978 609 A HA -0.227 4.109 4.320 0.027 0.000 0.220 609 A C 1.589 179.130 177.584 -0.071 0.000 1.170 609 A CA 1.906 53.951 52.037 0.014 0.000 0.636 609 A CB -1.019 18.031 19.000 0.085 0.000 0.810 609 A HN 0.791 nan 8.150 nan 0.000 0.448 610 D N -3.090 117.268 120.400 -0.071 0.000 2.328 610 D HA 0.156 4.812 4.640 0.027 0.000 0.226 610 D C 0.749 176.997 176.300 -0.085 0.000 1.066 610 D CA 0.092 54.023 54.000 -0.116 0.000 0.861 610 D CB -0.041 40.689 40.800 -0.117 0.000 0.912 610 D HN 0.262 nan 8.370 nan 0.000 0.521 611 R N -2.077 118.371 120.500 -0.088 0.000 3.584 611 R HA -0.121 4.235 4.340 0.027 0.000 0.488 611 R C -0.222 176.031 176.300 -0.079 0.000 0.869 611 R CA 1.188 57.238 56.100 -0.084 0.000 1.325 611 R CB -3.068 27.230 30.300 -0.004 0.000 2.015 611 R HN 0.252 nan 8.270 nan 0.000 0.489 612 T N 2.948 117.464 114.554 -0.063 0.000 2.902 612 T HA 0.297 4.664 4.350 0.027 0.000 0.301 612 T C -2.315 172.365 174.700 -0.033 0.000 1.012 612 T CA -0.543 61.528 62.100 -0.048 0.000 1.151 612 T CB 0.887 69.683 68.868 -0.119 0.000 0.946 612 T HN -0.076 nan 8.240 nan 0.000 0.542 613 P HA 0.258 nan 4.420 nan 0.000 0.275 613 P C -0.298 176.938 177.300 -0.107 0.000 1.228 613 P CA -0.301 62.726 63.100 -0.123 0.000 0.786 613 P CB 0.471 32.145 31.700 -0.043 0.000 0.927 614 H N 2.490 121.448 119.070 -0.187 0.000 2.509 614 H HA 0.171 4.743 4.556 0.027 0.000 0.359 614 H C -1.212 174.037 175.328 -0.132 0.000 1.253 614 H CA -1.453 54.453 56.048 -0.236 0.000 1.373 614 H CB 0.130 29.682 29.762 -0.351 0.000 1.555 614 H HN 0.346 nan 8.280 nan 0.000 0.586 615 P HA -0.146 nan 4.420 nan 0.000 0.220 615 P C 0.892 178.194 177.300 0.003 0.000 1.148 615 P CA 1.493 64.594 63.100 0.001 0.000 0.803 615 P CB 0.052 31.753 31.700 0.001 0.000 0.782 616 A N -0.505 122.310 122.820 -0.008 0.000 2.019 616 A HA -0.170 4.166 4.320 0.027 0.000 0.219 616 A C 2.042 179.581 177.584 -0.075 0.000 1.164 616 A CA 1.163 53.158 52.037 -0.071 0.000 0.644 616 A CB -1.543 17.375 19.000 -0.136 0.000 0.805 616 A HN 0.168 nan 8.150 nan 0.000 0.449 617 L N -0.652 120.558 121.223 -0.021 0.000 2.131 617 L HA -0.091 4.265 4.340 0.027 0.000 0.210 617 L C 2.481 179.403 176.870 0.087 0.000 1.092 617 L CA 2.619 57.485 54.840 0.043 0.000 0.759 617 L CB -0.947 41.143 42.059 0.052 0.000 0.903 617 L HN 0.373 nan 8.230 nan 0.000 0.435 618 T N -1.545 113.059 114.554 0.083 0.000 2.867 618 T HA -0.204 4.163 4.350 0.027 0.000 0.268 618 T C 1.806 176.613 174.700 0.178 0.000 1.057 618 T CA 1.465 63.663 62.100 0.163 0.000 1.136 618 T CB -0.109 68.835 68.868 0.127 0.000 0.874 618 T HN 0.471 nan 8.240 nan 0.000 0.466 619 E N 0.894 121.138 120.200 0.074 0.000 2.058 619 E HA -0.004 4.362 4.350 0.027 0.000 0.194 619 E C 2.206 178.814 176.600 0.012 0.000 0.997 619 E CA 1.536 57.976 56.400 0.067 0.000 0.801 619 E CB -0.684 29.017 29.700 0.002 0.000 0.746 619 E HN 0.543 nan 8.360 nan 0.000 0.450 620 A N 0.932 123.649 122.820 -0.172 0.000 1.902 620 A HA -0.235 4.101 4.320 0.027 0.000 0.217 620 A C 2.176 179.656 177.584 -0.173 0.000 1.181 620 A CA 1.985 53.885 52.037 -0.228 0.000 0.623 620 A CB -0.660 18.213 19.000 -0.211 0.000 0.818 620 A HN 0.280 nan 8.150 nan 0.000 0.443 621 K N -1.267 119.111 120.400 -0.037 0.000 2.063 621 K HA -0.286 4.050 4.320 0.027 0.000 0.208 621 K C 2.059 178.576 176.600 -0.140 0.000 1.048 621 K CA 2.026 58.302 56.287 -0.018 0.000 0.928 621 K CB -0.345 32.294 32.500 0.232 0.000 0.713 621 K HN 0.639 nan 8.250 nan 0.000 0.442 622 H N 0.328 119.233 119.070 -0.275 0.000 2.357 622 H HA 0.000 4.573 4.556 0.027 0.000 0.301 622 H C 1.959 177.019 175.328 -0.447 0.000 1.082 622 H CA 1.668 57.360 56.048 -0.593 0.000 1.342 622 H CB 0.112 29.558 29.762 -0.525 0.000 1.389 622 H HN 0.233 nan 8.280 nan 0.000 0.511 623 Q N 0.251 119.820 119.800 -0.385 0.000 2.224 623 Q HA -0.102 4.254 4.340 0.027 0.000 0.203 623 Q C 1.577 177.044 176.000 -0.889 0.000 0.970 623 Q CA 1.181 56.669 55.803 -0.525 0.000 0.865 623 Q CB 0.020 28.600 28.738 -0.264 0.000 0.922 623 Q HN 0.691 nan 8.270 nan 0.000 0.445 624 Q N 0.102 119.333 119.800 -0.948 0.000 2.322 624 Q HA 0.063 4.419 4.340 0.027 0.000 0.203 624 Q C -0.069 175.379 176.000 -0.920 0.000 0.923 624 Q CA -0.219 54.882 55.803 -1.171 0.000 0.949 624 Q CB 0.344 28.452 28.738 -1.050 0.000 1.039 624 Q HN 0.373 nan 8.270 nan 0.000 0.496 625 Q N -0.559 118.856 119.800 -0.642 0.000 2.414 625 Q HA -0.074 4.282 4.340 0.027 0.000 0.288 625 Q C -0.204 175.439 176.000 -0.595 0.000 1.086 625 Q CA 0.488 56.051 55.803 -0.401 0.000 0.943 625 Q CB 0.433 29.016 28.738 -0.258 0.000 1.282 625 Q HN 0.295 nan 8.270 nan 0.000 0.438 626 F N 0.230 119.951 119.950 -0.380 0.000 2.695 626 F HA 0.258 4.801 4.527 0.026 0.000 0.303 626 F C -0.319 174.910 175.800 -0.952 0.000 1.091 626 F CA -0.114 57.416 58.000 -0.784 0.000 1.300 626 F CB 0.532 38.698 39.000 -1.391 0.000 1.071 626 F HN 0.268 nan 8.300 nan 0.000 0.578 627 F N 0.567 120.434 119.950 -0.137 0.000 2.529 627 F HA 0.509 5.053 4.527 0.028 0.000 0.320 627 F C -0.059 175.425 175.800 -0.527 0.000 1.118 627 F CA -1.118 56.700 58.000 -0.303 0.000 0.915 627 F CB 1.330 40.151 39.000 -0.298 0.000 1.161 627 F HN -0.294 nan 8.300 nan 0.000 0.445 628 Q N 2.922 122.496 119.800 -0.376 0.000 2.301 628 Q HA 0.592 4.948 4.340 0.027 0.000 0.267 628 Q C -1.365 174.401 176.000 -0.391 0.000 1.035 628 Q CA -0.636 54.997 55.803 -0.283 0.000 0.856 628 Q CB 2.856 31.532 28.738 -0.103 0.000 1.337 628 Q HN 0.554 nan 8.270 nan 0.000 0.450 629 F N 0.287 120.368 119.950 0.217 0.000 2.576 629 F HA 0.588 5.132 4.527 0.028 0.000 0.313 629 F C 0.292 176.331 175.800 0.398 0.000 1.078 629 F CA -0.861 57.342 58.000 0.338 0.000 0.921 629 F CB 1.987 41.319 39.000 0.554 0.000 1.232 629 F HN 0.160 nan 8.300 nan 0.000 0.459 630 R N 1.682 122.475 120.500 0.487 0.000 2.771 630 R HA 0.753 5.109 4.340 0.027 0.000 0.274 630 R C -2.045 174.290 176.300 0.058 0.000 0.987 630 R CA -1.278 55.026 56.100 0.340 0.000 0.908 630 R CB 2.926 33.340 30.300 0.190 0.000 1.213 630 R HN 0.523 nan 8.270 nan 0.000 0.468 631 L N 0.659 121.797 121.223 -0.143 0.000 2.362 631 L HA 0.526 4.882 4.340 0.027 0.000 0.275 631 L C -1.002 175.725 176.870 -0.238 0.000 0.998 631 L CA -0.029 54.528 54.840 -0.473 0.000 0.820 631 L CB 2.138 43.529 42.059 -1.114 0.000 1.270 631 L HN 0.652 nan 8.230 nan 0.000 0.415 632 S N 3.997 119.579 115.700 -0.197 0.000 2.775 632 S HA 0.726 5.213 4.470 0.027 0.000 0.277 632 S C 0.156 174.677 174.600 -0.132 0.000 1.156 632 S CA 0.341 58.467 58.200 -0.123 0.000 1.081 632 S CB 0.261 63.418 63.200 -0.071 0.000 1.054 632 S HN 1.664 nan 8.310 nan 0.000 0.482 633 G N 4.878 113.600 108.800 -0.129 0.000 2.536 633 G HA2 -0.299 3.677 3.960 0.027 0.000 0.277 633 G HA3 -0.299 3.677 3.960 0.027 0.000 0.277 633 G C 0.088 174.885 174.900 -0.171 0.000 1.155 633 G CA 0.702 45.727 45.100 -0.124 0.000 0.960 633 G HN 1.200 nan 8.290 nan 0.000 0.544 634 Q N 0.413 120.111 119.800 -0.170 0.000 2.172 634 Q HA 0.484 4.840 4.340 0.027 0.000 0.217 634 Q C 0.446 176.314 176.000 -0.220 0.000 0.832 634 Q CA 0.739 56.416 55.803 -0.209 0.000 1.010 634 Q CB -0.131 28.501 28.738 -0.177 0.000 1.133 634 Q HN 0.528 nan 8.270 nan 0.000 0.489 635 T N 1.543 115.980 114.554 -0.195 0.000 2.756 635 T HA 0.589 4.955 4.350 0.027 0.000 0.290 635 T C -0.275 174.312 174.700 -0.189 0.000 0.985 635 T CA -0.425 61.577 62.100 -0.163 0.000 0.955 635 T CB 0.621 69.427 68.868 -0.104 0.000 0.930 635 T HN 0.198 nan 8.240 nan 0.000 0.451 636 I N 3.071 123.537 120.570 -0.173 0.000 2.331 636 I HA 0.300 4.486 4.170 0.027 0.000 0.292 636 I C 0.605 176.728 176.117 0.011 0.000 0.998 636 I CA -0.453 60.770 61.300 -0.127 0.000 1.267 636 I CB 1.032 38.979 38.000 -0.088 0.000 1.386 636 I HN 0.543 nan 8.210 nan 0.000 0.476 637 E N 6.633 126.874 120.200 0.068 0.000 2.158 637 E HA 0.464 4.830 4.350 0.027 0.000 0.271 637 E C -1.610 175.087 176.600 0.162 0.000 0.911 637 E CA -0.634 55.821 56.400 0.093 0.000 0.767 637 E CB 1.757 31.494 29.700 0.063 0.000 1.120 637 E HN 0.348 nan 8.360 nan 0.000 0.405 638 V N 4.114 124.102 119.914 0.123 0.000 2.384 638 V HA 0.333 4.469 4.120 0.027 0.000 0.287 638 V C -0.095 176.021 176.094 0.036 0.000 1.020 638 V CA -0.548 61.785 62.300 0.055 0.000 0.850 638 V CB 1.667 33.552 31.823 0.104 0.000 0.987 638 V HN 0.710 nan 8.190 nan 0.000 0.436 639 T N 3.267 117.808 114.554 -0.022 0.000 2.829 639 T HA 0.378 4.744 4.350 0.027 0.000 0.280 639 T C -0.075 174.638 174.700 0.023 0.000 0.999 639 T CA -0.288 61.816 62.100 0.007 0.000 0.983 639 T CB 1.633 70.484 68.868 -0.029 0.000 0.968 639 T HN 0.690 nan 8.240 nan 0.000 0.446 640 S N 1.678 117.403 115.700 0.042 0.000 2.525 640 S HA 0.240 4.726 4.470 0.027 0.000 0.278 640 S C 0.706 175.188 174.600 -0.197 0.000 1.234 640 S CA -0.565 57.593 58.200 -0.071 0.000 1.058 640 S CB 0.635 63.875 63.200 0.068 0.000 0.983 640 S HN 0.719 nan 8.310 nan 0.000 0.495 641 E N 2.748 122.720 120.200 -0.381 0.000 2.476 641 E HA 0.099 4.465 4.350 0.027 0.000 0.196 641 E C -0.762 175.652 176.600 -0.311 0.000 1.029 641 E CA -0.112 56.101 56.400 -0.312 0.000 0.896 641 E CB 0.240 29.745 29.700 -0.324 0.000 1.012 641 E HN 0.650 nan 8.360 nan 0.000 0.475 642 Y N 0.475 120.651 120.300 -0.207 0.000 2.397 642 Y HA -0.006 4.560 4.550 0.027 0.000 0.335 642 Y C 1.363 177.092 175.900 -0.285 0.000 1.213 642 Y CA 0.357 58.335 58.100 -0.204 0.000 1.391 642 Y CB 0.605 38.932 38.460 -0.222 0.000 1.293 642 Y HN -0.048 nan 8.280 nan 0.000 0.557 643 L N 0.750 121.800 121.223 -0.289 0.000 2.357 643 L HA 0.033 4.389 4.340 0.027 0.000 0.211 643 L C 0.727 177.139 176.870 -0.764 0.000 1.075 643 L CA 0.607 55.021 54.840 -0.710 0.000 0.830 643 L CB 0.000 41.245 42.059 -1.358 0.000 0.996 643 L HN 0.559 nan 8.230 nan 0.000 0.467 644 F N -0.582 119.376 119.950 0.012 0.000 2.640 644 F HA 0.211 4.753 4.527 0.025 0.000 0.285 644 F C 1.274 177.053 175.800 -0.035 0.000 1.031 644 F CA -0.728 57.255 58.000 -0.028 0.000 1.240 644 F CB 0.037 39.005 39.000 -0.054 0.000 1.011 644 F HN -0.140 nan 8.300 nan 0.000 0.656 645 R N 0.252 120.791 120.500 0.065 0.000 2.573 645 R HA 0.385 4.741 4.340 0.027 0.000 0.272 645 R C -0.500 175.792 176.300 -0.013 0.000 1.009 645 R CA -0.597 55.498 56.100 -0.009 0.000 1.059 645 R CB 0.681 30.867 30.300 -0.190 0.000 1.112 645 R HN 0.106 nan 8.270 nan 0.000 0.517 646 H N 0.364 119.434 119.070 0.000 0.000 2.508 646 H HA 0.053 4.626 4.556 0.027 0.000 0.358 646 H C 0.159 175.525 175.328 0.063 0.000 1.212 646 H CA 0.150 56.230 56.048 0.053 0.000 1.356 646 H CB 1.704 31.499 29.762 0.054 0.000 1.525 646 H HN 0.761 nan 8.280 nan 0.000 0.578 647 S N 1.020 116.878 115.700 0.264 0.000 4.175 647 S HA -0.050 4.436 4.470 0.027 0.000 0.193 647 S C 0.278 174.988 174.600 0.183 0.000 1.373 647 S CA -0.654 57.712 58.200 0.276 0.000 0.908 647 S CB -0.781 62.633 63.200 0.356 0.000 1.547 647 S HN 0.576 nan 8.310 nan 0.000 0.440 648 D N 0.808 121.288 120.400 0.134 0.000 2.336 648 D HA 0.073 4.729 4.640 0.027 0.000 0.228 648 D C 0.258 176.602 176.300 0.073 0.000 1.120 648 D CA -0.297 53.759 54.000 0.093 0.000 0.839 648 D CB -0.371 40.469 40.800 0.068 0.000 0.932 648 D HN 0.503 nan 8.370 nan 0.000 0.509 649 N N 0.132 118.887 118.700 0.091 0.000 2.651 649 N HA 0.174 4.931 4.740 0.027 0.000 0.277 649 N C -1.589 173.989 175.510 0.113 0.000 1.787 649 N CA -0.188 52.910 53.050 0.081 0.000 0.818 649 N CB 0.334 38.856 38.487 0.059 0.000 1.316 649 N HN -0.047 nan 8.380 nan 0.000 0.503 650 E N -0.200 120.062 120.200 0.103 0.000 2.354 650 E HA 0.521 4.887 4.350 0.027 0.000 0.283 650 E C -1.539 175.108 176.600 0.079 0.000 0.938 650 E CA -0.661 55.796 56.400 0.095 0.000 0.777 650 E CB 1.902 31.636 29.700 0.056 0.000 1.222 650 E HN 0.303 nan 8.360 nan 0.000 0.423 651 L N -0.191 121.096 121.223 0.106 0.000 2.393 651 L HA 0.754 5.110 4.340 0.027 0.000 0.260 651 L C -1.398 175.587 176.870 0.192 0.000 1.002 651 L CA -1.187 53.734 54.840 0.135 0.000 0.818 651 L CB 1.295 43.441 42.059 0.145 0.000 1.369 651 L HN 0.489 nan 8.230 nan 0.000 0.412 652 L N 1.693 123.035 121.223 0.198 0.000 2.282 652 L HA 0.568 4.924 4.340 0.027 0.000 0.288 652 L C -0.890 176.174 176.870 0.323 0.000 1.033 652 L CA 0.133 55.133 54.840 0.266 0.000 0.807 652 L CB 0.555 42.765 42.059 0.252 0.000 1.209 652 L HN 0.602 nan 8.230 nan 0.000 0.423 653 H N 5.094 124.249 119.070 0.142 0.000 2.467 653 H HA 0.492 5.064 4.556 0.027 0.000 0.326 653 H C -1.074 174.349 175.328 0.157 0.000 1.094 653 H CA -0.333 55.756 56.048 0.069 0.000 1.253 653 H CB 0.757 30.518 29.762 -0.003 0.000 1.439 653 H HN 0.597 nan 8.280 nan 0.000 0.479 654 W N 3.990 125.372 121.300 0.137 0.000 2.915 654 W HA 0.582 5.258 4.660 0.027 0.000 0.337 654 W C -1.706 174.867 176.519 0.091 0.000 1.102 654 W CA -1.400 56.014 57.345 0.115 0.000 1.224 654 W CB 1.291 30.801 29.460 0.084 0.000 1.416 654 W HN 0.561 nan 8.180 nan 0.000 0.503 655 M N 3.631 123.403 119.600 0.287 0.000 2.378 655 M HA 0.651 5.147 4.480 0.027 0.000 0.289 655 M C -2.538 173.952 176.300 0.317 0.000 1.136 655 M CA -0.809 54.563 55.300 0.121 0.000 0.917 655 M CB 1.935 34.543 32.600 0.013 0.000 1.669 655 M HN 0.172 nan 8.290 nan 0.000 0.461 656 V N 3.799 123.894 119.914 0.301 0.000 2.448 656 V HA 1.014 5.150 4.120 0.027 0.000 0.295 656 V C -0.391 175.813 176.094 0.184 0.000 1.025 656 V CA -0.204 62.269 62.300 0.288 0.000 0.859 656 V CB 1.162 33.173 31.823 0.314 0.000 0.988 656 V HN 1.127 nan 8.190 nan 0.000 0.431 657 A N 4.438 127.373 122.820 0.192 0.000 2.475 657 A HA 0.909 5.245 4.320 0.027 0.000 0.301 657 A C -1.428 176.268 177.584 0.186 0.000 1.059 657 A CA -0.630 51.486 52.037 0.131 0.000 0.710 657 A CB 1.767 20.802 19.000 0.058 0.000 1.288 657 A HN 0.905 nan 8.150 nan 0.000 0.408 658 L N 1.377 122.681 121.223 0.135 0.000 2.280 658 L HA 0.524 4.881 4.340 0.027 0.000 0.287 658 L C -0.537 176.423 176.870 0.151 0.000 1.023 658 L CA 0.160 55.093 54.840 0.155 0.000 0.819 658 L CB 0.532 42.652 42.059 0.102 0.000 1.212 658 L HN 0.761 nan 8.230 nan 0.000 0.420 659 D N 4.652 125.202 120.400 0.250 0.000 2.692 659 D HA -0.231 4.425 4.640 0.027 0.000 0.233 659 D C 1.150 177.488 176.300 0.063 0.000 1.172 659 D CA 1.400 55.539 54.000 0.231 0.000 0.636 659 D CB -1.136 39.776 40.800 0.186 0.000 1.028 659 D HN 1.223 nan 8.370 nan 0.000 0.419 660 G N -0.728 108.069 108.800 -0.005 0.000 2.225 660 G HA2 -0.377 3.599 3.960 0.027 0.000 0.254 660 G HA3 -0.377 3.599 3.960 0.027 0.000 0.254 660 G C 0.289 175.104 174.900 -0.141 0.000 0.988 660 G CA 0.562 45.545 45.100 -0.194 0.000 0.625 660 G HN 0.490 nan 8.290 nan 0.000 0.527 661 K N 1.988 122.358 120.400 -0.051 0.000 2.262 661 K HA 0.459 4.795 4.320 0.027 0.000 0.282 661 K C -2.574 174.015 176.600 -0.017 0.000 1.066 661 K CA -1.814 54.449 56.287 -0.039 0.000 0.901 661 K CB 1.473 33.970 32.500 -0.005 0.000 1.089 661 K HN 0.073 nan 8.250 nan 0.000 0.476 662 P HA 0.001 nan 4.420 nan 0.000 0.271 662 P C 0.018 177.319 177.300 0.002 0.000 1.226 662 P CA -0.008 63.077 63.100 -0.024 0.000 0.765 662 P CB 0.744 32.410 31.700 -0.057 0.000 0.835 663 L N 1.789 123.032 121.223 0.034 0.000 2.445 663 L HA 0.449 4.805 4.340 0.027 0.000 0.207 663 L C 0.845 177.747 176.870 0.054 0.000 1.053 663 L CA 0.690 55.561 54.840 0.052 0.000 0.841 663 L CB 0.158 42.268 42.059 0.086 0.000 1.074 663 L HN 0.433 nan 8.230 nan 0.000 0.479 664 A N -0.847 122.009 122.820 0.061 0.000 2.586 664 A HA 0.596 4.932 4.320 0.027 0.000 0.291 664 A C -1.073 176.404 177.584 -0.179 0.000 1.062 664 A CA 0.170 52.220 52.037 0.022 0.000 0.666 664 A CB 1.465 20.598 19.000 0.222 0.000 1.281 664 A HN 0.118 nan 8.150 nan 0.000 0.421 665 S N -0.979 114.356 115.700 -0.609 0.000 2.595 665 S HA 0.924 5.410 4.470 0.027 0.000 0.270 665 S C -0.287 173.370 174.600 -1.572 0.000 1.145 665 S CA 0.025 57.413 58.200 -1.353 0.000 0.825 665 S CB 0.952 63.763 63.200 -0.649 0.000 1.107 665 S HN 2.618 nan 8.310 nan 0.000 0.461 666 G N -0.151 107.392 108.800 -2.095 0.000 2.606 666 G HA2 0.677 4.653 3.960 0.027 0.000 0.300 666 G HA3 0.677 4.653 3.960 0.027 0.000 0.300 666 G C -2.157 172.336 174.900 -0.678 0.000 1.360 666 G CA -0.727 43.808 45.100 -0.943 0.000 0.783 666 G HN 0.788 nan 8.290 nan 0.000 0.484 667 E N -1.493 118.590 120.200 -0.194 0.000 2.340 667 E HA 0.646 5.012 4.350 0.027 0.000 0.273 667 E C -1.424 175.226 176.600 0.084 0.000 0.891 667 E CA -0.686 55.632 56.400 -0.138 0.000 0.757 667 E CB 3.242 32.765 29.700 -0.295 0.000 1.231 667 E HN 0.325 nan 8.360 nan 0.000 0.439 668 V N 3.090 123.078 119.914 0.123 0.000 2.777 668 V HA 0.366 4.502 4.120 0.027 0.000 0.306 668 V C -2.514 173.642 176.094 0.102 0.000 1.112 668 V CA -1.901 60.472 62.300 0.122 0.000 0.917 668 V CB 2.064 33.986 31.823 0.165 0.000 1.018 668 V HN 0.571 nan 8.190 nan 0.000 0.426 669 P HA 0.285 nan 4.420 nan 0.000 0.271 669 P C -0.820 176.527 177.300 0.078 0.000 1.216 669 P CA -0.006 63.139 63.100 0.074 0.000 0.776 669 P CB 0.597 32.334 31.700 0.061 0.000 0.881 670 L N 3.119 124.385 121.223 0.071 0.000 2.295 670 L HA 0.375 4.731 4.340 0.027 0.000 0.285 670 L C 0.331 177.255 176.870 0.090 0.000 1.035 670 L CA -0.098 54.779 54.840 0.062 0.000 0.806 670 L CB 1.116 43.168 42.059 -0.011 0.000 1.214 670 L HN 0.307 nan 8.230 nan 0.000 0.426 671 D N 3.402 123.867 120.400 0.109 0.000 2.405 671 D HA 0.339 4.995 4.640 0.027 0.000 0.264 671 D C -1.271 175.139 176.300 0.184 0.000 1.240 671 D CA -0.174 53.914 54.000 0.148 0.000 0.893 671 D CB 1.061 41.929 40.800 0.114 0.000 1.198 671 D HN 0.059 nan 8.370 nan 0.000 0.514 672 V N 1.522 121.562 119.914 0.211 0.000 2.487 672 V HA 0.848 4.985 4.120 0.027 0.000 0.298 672 V C 0.894 177.003 176.094 0.025 0.000 1.028 672 V CA -1.197 61.200 62.300 0.162 0.000 0.860 672 V CB 1.102 33.053 31.823 0.213 0.000 0.991 672 V HN 0.537 nan 8.190 nan 0.000 0.427 673 A N 6.736 129.465 122.820 -0.151 0.000 2.296 673 A HA 0.728 5.064 4.320 0.027 0.000 0.264 673 A C -2.320 175.061 177.584 -0.339 0.000 1.097 673 A CA -1.501 50.087 52.037 -0.749 0.000 0.811 673 A CB -0.155 18.552 19.000 -0.489 0.000 1.072 673 A HN 0.685 nan 8.150 nan 0.000 0.495 674 P HA 0.080 nan 4.420 nan 0.000 0.267 674 P C -0.588 176.641 177.300 -0.118 0.000 1.209 674 P CA 0.567 63.584 63.100 -0.139 0.000 0.763 674 P CB 0.840 32.461 31.700 -0.131 0.000 0.816 675 Q N -0.731 119.013 119.800 -0.093 0.000 2.342 675 Q HA -0.137 4.219 4.340 0.027 0.000 0.196 675 Q C 0.748 176.718 176.000 -0.050 0.000 0.629 675 Q CA 1.746 57.500 55.803 -0.081 0.000 1.365 675 Q CB -2.525 26.161 28.738 -0.087 0.000 1.406 675 Q HN 0.728 nan 8.270 nan 0.000 0.840 676 G N 0.399 109.176 108.800 -0.039 0.000 2.557 676 G HA2 0.529 4.505 3.960 0.027 0.000 0.292 676 G HA3 0.529 4.505 3.960 0.027 0.000 0.292 676 G C -0.138 174.774 174.900 0.021 0.000 1.237 676 G CA -0.494 44.601 45.100 -0.009 0.000 0.978 676 G HN -0.023 nan 8.290 nan 0.000 0.498 677 K N -0.582 119.838 120.400 0.032 0.000 2.340 677 K HA 0.452 4.788 4.320 0.027 0.000 0.244 677 K C -0.931 175.704 176.600 0.058 0.000 0.973 677 K CA -0.661 55.653 56.287 0.045 0.000 0.828 677 K CB 2.610 35.130 32.500 0.033 0.000 1.226 677 K HN 0.556 nan 8.250 nan 0.000 0.437 678 Q N 2.158 121.998 119.800 0.067 0.000 2.347 678 Q HA 0.423 4.779 4.340 0.027 0.000 0.271 678 Q C -1.630 174.405 176.000 0.058 0.000 1.064 678 Q CA -0.684 55.160 55.803 0.068 0.000 0.800 678 Q CB 1.580 30.368 28.738 0.083 0.000 1.304 678 Q HN 0.522 nan 8.270 nan 0.000 0.438 679 L N 4.922 126.169 121.223 0.041 0.000 2.296 679 L HA 0.559 4.916 4.340 0.027 0.000 0.286 679 L C -0.618 176.260 176.870 0.012 0.000 1.023 679 L CA -0.638 54.215 54.840 0.021 0.000 0.812 679 L CB 1.355 43.417 42.059 0.005 0.000 1.223 679 L HN 0.604 nan 8.230 nan 0.000 0.421 680 I N 3.026 123.593 120.570 -0.004 0.000 2.436 680 I HA 0.255 4.441 4.170 0.027 0.000 0.289 680 I C -0.087 175.978 176.117 -0.087 0.000 1.010 680 I CA -0.407 60.878 61.300 -0.025 0.000 1.098 680 I CB 2.152 40.148 38.000 -0.006 0.000 1.266 680 I HN 0.556 nan 8.210 nan 0.000 0.434 681 E N 6.798 126.943 120.200 -0.092 0.000 2.146 681 E HA 0.420 4.786 4.350 0.027 0.000 0.282 681 E C -0.873 175.603 176.600 -0.207 0.000 0.989 681 E CA -0.621 55.700 56.400 -0.132 0.000 0.799 681 E CB 1.457 31.104 29.700 -0.089 0.000 1.088 681 E HN 0.456 nan 8.360 nan 0.000 0.397 682 L N 5.054 126.093 121.223 -0.306 0.000 2.453 682 L HA 0.301 4.657 4.340 0.027 0.000 0.261 682 L C -1.791 174.908 176.870 -0.286 0.000 1.179 682 L CA -1.799 52.764 54.840 -0.461 0.000 0.813 682 L CB -0.046 41.605 42.059 -0.681 0.000 1.110 682 L HN 0.346 nan 8.230 nan 0.000 0.466 683 P HA 0.021 nan 4.420 nan 0.000 0.272 683 P C -0.793 176.451 177.300 -0.093 0.000 1.240 683 P CA -0.531 62.511 63.100 -0.097 0.000 0.791 683 P CB 0.379 32.086 31.700 0.012 0.000 0.978 684 E N 1.183 121.357 120.200 -0.042 0.000 2.452 684 E HA 0.047 4.414 4.350 0.027 0.000 0.261 684 E C -1.002 175.594 176.600 -0.008 0.000 0.987 684 E CA -0.186 56.195 56.400 -0.032 0.000 0.926 684 E CB -0.087 29.605 29.700 -0.013 0.000 0.934 684 E HN 0.250 nan 8.360 nan 0.000 0.452 685 L N 6.182 127.395 121.223 -0.015 0.000 2.277 685 L HA 0.411 4.767 4.340 0.027 0.000 0.284 685 L C -2.003 174.878 176.870 0.018 0.000 1.028 685 L CA -2.179 52.671 54.840 0.016 0.000 0.835 685 L CB 0.865 42.946 42.059 0.036 0.000 1.215 685 L HN 0.507 nan 8.230 nan 0.000 0.425 686 P HA -0.051 nan 4.420 nan 0.000 0.269 686 P C -0.708 176.607 177.300 0.026 0.000 1.205 686 P CA -0.198 62.917 63.100 0.026 0.000 0.780 686 P CB 0.621 32.342 31.700 0.035 0.000 0.858 687 Q N 2.309 122.121 119.800 0.020 0.000 2.288 687 Q HA 0.268 4.624 4.340 0.027 0.000 0.258 687 Q C -1.737 174.278 176.000 0.025 0.000 0.957 687 Q CA -1.214 54.601 55.803 0.020 0.000 0.919 687 Q CB -0.491 28.255 28.738 0.013 0.000 1.185 687 Q HN 0.372 nan 8.270 nan 0.000 0.408 688 P HA -0.096 nan 4.420 nan 0.000 0.266 688 P C -0.138 177.180 177.300 0.030 0.000 1.193 688 P CA 0.169 63.290 63.100 0.035 0.000 0.770 688 P CB 0.792 32.517 31.700 0.041 0.000 0.836 689 E N 0.275 120.493 120.200 0.029 0.000 2.085 689 E HA -0.102 4.265 4.350 0.027 0.000 0.194 689 E C 0.824 177.440 176.600 0.026 0.000 0.994 689 E CA 1.421 57.837 56.400 0.025 0.000 0.801 689 E CB -0.048 29.666 29.700 0.023 0.000 0.743 689 E HN 0.688 nan 8.360 nan 0.000 0.453 690 S N -0.709 115.010 115.700 0.031 0.000 2.840 690 S HA 0.664 5.150 4.470 0.027 0.000 0.307 690 S C -0.367 174.255 174.600 0.037 0.000 1.180 690 S CA -0.641 57.579 58.200 0.033 0.000 0.846 690 S CB 1.428 64.649 63.200 0.034 0.000 1.233 690 S HN 0.172 nan 8.310 nan 0.000 0.548 691 A N -0.315 122.528 122.820 0.039 0.000 2.448 691 A HA 0.701 5.037 4.320 0.027 0.000 0.239 691 A C 0.955 178.572 177.584 0.055 0.000 1.080 691 A CA 0.518 52.580 52.037 0.042 0.000 0.779 691 A CB -0.934 18.091 19.000 0.043 0.000 1.026 691 A HN 2.439 nan 8.150 nan 0.000 0.499 692 G N -0.711 108.122 108.800 0.055 0.000 2.359 692 G HA2 0.434 4.411 3.960 0.027 0.000 0.303 692 G HA3 0.434 4.411 3.960 0.027 0.000 0.303 692 G C -1.155 173.782 174.900 0.062 0.000 1.293 692 G CA -0.154 44.992 45.100 0.077 0.000 0.964 692 G HN 1.149 nan 8.290 nan 0.000 0.531 693 Q N -0.167 119.689 119.800 0.093 0.000 2.314 693 Q HA 0.733 5.089 4.340 0.027 0.000 0.259 693 Q C -0.333 175.732 176.000 0.109 0.000 0.951 693 Q CA -0.509 55.312 55.803 0.029 0.000 0.909 693 Q CB 1.201 29.936 28.738 -0.005 0.000 1.236 693 Q HN 0.572 nan 8.270 nan 0.000 0.444 694 L N 4.109 125.336 121.223 0.006 0.000 2.326 694 L HA 0.511 4.867 4.340 0.027 0.000 0.278 694 L C -0.765 176.126 176.870 0.034 0.000 1.092 694 L CA -0.459 54.437 54.840 0.093 0.000 0.810 694 L CB 0.813 42.905 42.059 0.054 0.000 1.153 694 L HN 0.665 nan 8.230 nan 0.000 0.439 695 W N 3.845 125.207 121.300 0.104 0.000 2.819 695 W HA 0.523 5.199 4.660 0.026 0.000 0.337 695 W C -0.897 175.730 176.519 0.180 0.000 1.077 695 W CA -0.534 56.895 57.345 0.141 0.000 1.226 695 W CB 1.762 31.324 29.460 0.171 0.000 1.419 695 W HN 0.108 nan 8.180 nan 0.000 0.502 696 L N 3.128 124.641 121.223 0.484 0.000 2.296 696 L HA 0.751 5.108 4.340 0.027 0.000 0.286 696 L C -0.398 176.783 176.870 0.519 0.000 1.023 696 L CA 0.083 55.192 54.840 0.449 0.000 0.812 696 L CB 1.318 43.607 42.059 0.383 0.000 1.223 696 L HN 0.321 nan 8.230 nan 0.000 0.421 697 T N 5.254 120.053 114.554 0.410 0.000 2.812 697 T HA 0.671 5.037 4.350 0.027 0.000 0.282 697 T C -0.627 174.266 174.700 0.321 0.000 0.990 697 T CA -0.442 61.853 62.100 0.326 0.000 0.960 697 T CB 1.418 70.412 68.868 0.211 0.000 0.948 697 T HN 0.606 nan 8.240 nan 0.000 0.438 698 V N 1.715 121.796 119.914 0.278 0.000 2.769 698 V HA 0.866 5.002 4.120 0.027 0.000 0.312 698 V C -0.786 175.401 176.094 0.156 0.000 1.061 698 V CA -1.247 61.194 62.300 0.235 0.000 0.931 698 V CB 1.988 33.918 31.823 0.178 0.000 1.010 698 V HN 0.825 nan 8.190 nan 0.000 0.433 699 R N 1.848 122.464 120.500 0.193 0.000 2.725 699 R HA 0.781 5.137 4.340 0.027 0.000 0.277 699 R C -1.641 174.791 176.300 0.220 0.000 0.987 699 R CA -0.804 55.424 56.100 0.212 0.000 0.901 699 R CB 2.686 33.060 30.300 0.124 0.000 1.207 699 R HN 0.658 nan 8.270 nan 0.000 0.463 700 V N 2.898 122.971 119.914 0.265 0.000 2.383 700 V HA 0.348 4.484 4.120 0.027 0.000 0.275 700 V C -0.284 175.900 176.094 0.150 0.000 1.036 700 V CA -0.580 61.844 62.300 0.207 0.000 0.889 700 V CB 1.517 33.459 31.823 0.198 0.000 0.985 700 V HN 0.427 nan 8.190 nan 0.000 0.459 701 V N 5.205 125.178 119.914 0.098 0.000 2.555 701 V HA 0.395 4.532 4.120 0.027 0.000 0.302 701 V C -0.158 175.996 176.094 0.100 0.000 1.038 701 V CA -0.743 61.578 62.300 0.035 0.000 0.887 701 V CB 1.948 33.705 31.823 -0.110 0.000 0.991 701 V HN 0.879 nan 8.190 nan 0.000 0.434 702 Q N 5.635 125.507 119.800 0.121 0.000 2.360 702 Q HA 0.270 4.626 4.340 0.027 0.000 0.254 702 Q C -1.758 174.280 176.000 0.064 0.000 0.975 702 Q CA -1.753 54.120 55.803 0.117 0.000 0.912 702 Q CB 1.885 30.708 28.738 0.143 0.000 1.212 702 Q HN 0.479 nan 8.270 nan 0.000 0.452 703 P HA -0.114 nan 4.420 nan 0.000 0.222 703 P C -0.518 176.792 177.300 0.016 0.000 1.153 703 P CA 0.941 64.068 63.100 0.044 0.000 0.798 703 P CB 0.444 32.177 31.700 0.055 0.000 0.796 704 N N -0.530 118.170 118.700 0.001 0.000 2.405 704 N HA 0.459 5.215 4.740 0.027 0.000 0.299 704 N C -0.334 175.131 175.510 -0.076 0.000 1.075 704 N CA -0.704 52.330 53.050 -0.027 0.000 0.884 704 N CB 1.177 39.651 38.487 -0.022 0.000 1.194 704 N HN -0.087 nan 8.380 nan 0.000 0.491 705 A N 0.799 123.567 122.820 -0.088 0.000 2.448 705 A HA 0.407 4.743 4.320 0.027 0.000 0.239 705 A C 0.582 178.049 177.584 -0.195 0.000 1.080 705 A CA 0.072 52.021 52.037 -0.147 0.000 0.779 705 A CB -0.015 18.924 19.000 -0.102 0.000 1.026 705 A HN 0.696 nan 8.150 nan 0.000 0.499 706 T N -2.981 111.373 114.554 -0.335 0.000 2.742 706 T HA 0.633 4.999 4.350 0.027 0.000 0.282 706 T C 0.930 175.475 174.700 -0.259 0.000 1.025 706 T CA 0.039 61.923 62.100 -0.360 0.000 1.020 706 T CB 1.157 69.564 68.868 -0.769 0.000 1.317 706 T HN 1.368 nan 8.240 nan 0.000 0.538 707 A N -0.068 122.699 122.820 -0.089 0.000 2.067 707 A HA 0.119 4.455 4.320 0.027 0.000 0.219 707 A C 1.646 179.350 177.584 0.201 0.000 1.158 707 A CA 0.994 53.081 52.037 0.083 0.000 0.661 707 A CB -0.847 18.252 19.000 0.165 0.000 0.801 707 A HN 0.913 nan 8.150 nan 0.000 0.452 708 W N -0.492 120.868 121.300 0.100 0.000 2.870 708 W HA 0.423 5.100 4.660 0.028 0.000 0.358 708 W C -0.165 176.319 176.519 -0.058 0.000 1.043 708 W CA 0.468 57.841 57.345 0.047 0.000 1.692 708 W CB -1.092 28.383 29.460 0.026 0.000 1.100 708 W HN 0.405 nan 8.180 nan 0.000 0.557 709 S N -0.078 115.189 115.700 -0.722 0.000 2.579 709 S HA 0.433 4.919 4.470 0.027 0.000 0.272 709 S C -0.716 173.663 174.600 -0.368 0.000 1.141 709 S CA -0.744 57.069 58.200 -0.646 0.000 0.843 709 S CB 2.792 65.202 63.200 -1.317 0.000 1.122 709 S HN 0.052 nan 8.310 nan 0.000 0.468 710 E N 0.574 120.669 120.200 -0.175 0.000 2.314 710 E HA 0.552 4.918 4.350 0.027 0.000 0.262 710 E C 0.344 176.906 176.600 -0.064 0.000 1.093 710 E CA -0.577 55.772 56.400 -0.084 0.000 0.908 710 E CB 1.486 31.179 29.700 -0.010 0.000 1.091 710 E HN 0.881 nan 8.360 nan 0.000 0.425 711 A N 0.119 122.913 122.820 -0.045 0.000 2.498 711 A HA 0.399 4.735 4.320 0.027 0.000 0.239 711 A C 1.129 178.718 177.584 0.007 0.000 1.068 711 A CA 0.833 52.856 52.037 -0.023 0.000 0.766 711 A CB -0.258 18.732 19.000 -0.017 0.000 1.003 711 A HN 0.763 nan 8.150 nan 0.000 0.497 712 G N 0.259 109.071 108.800 0.020 0.000 2.176 712 G HA2 -0.244 3.732 3.960 0.027 0.000 0.253 712 G HA3 -0.244 3.732 3.960 0.027 0.000 0.253 712 G C 0.243 175.160 174.900 0.029 0.000 0.979 712 G CA 0.701 45.806 45.100 0.009 0.000 0.641 712 G HN 1.757 nan 8.290 nan 0.000 0.530 713 H N 0.623 119.679 119.070 -0.023 0.000 3.001 713 H HA 0.470 5.042 4.556 0.027 0.000 0.334 713 H C 0.663 176.035 175.328 0.074 0.000 1.034 713 H CA 0.358 56.418 56.048 0.020 0.000 1.420 713 H CB 0.214 29.971 29.762 -0.008 0.000 1.405 713 H HN 0.289 nan 8.280 nan 0.000 0.593 714 I N 4.534 124.841 120.570 -0.437 0.000 2.315 714 I HA 0.053 4.239 4.170 0.027 0.000 0.291 714 I C 0.818 176.792 176.117 -0.238 0.000 1.006 714 I CA -0.031 61.143 61.300 -0.211 0.000 1.265 714 I CB 1.588 39.514 38.000 -0.124 0.000 1.387 714 I HN 0.791 nan 8.210 nan 0.000 0.475 715 S N 4.157 119.936 115.700 0.133 0.000 2.511 715 S HA 0.557 5.043 4.470 0.027 0.000 0.214 715 S C 0.441 175.321 174.600 0.468 0.000 0.997 715 S CA -0.063 58.362 58.200 0.374 0.000 0.908 715 S CB 0.586 64.132 63.200 0.577 0.000 0.803 715 S HN 0.703 nan 8.310 nan 0.000 0.504 716 A N 0.518 123.648 122.820 0.517 0.000 2.605 716 A HA 0.658 4.994 4.320 0.027 0.000 0.294 716 A C -1.790 176.167 177.584 0.621 0.000 1.062 716 A CA -0.879 51.448 52.037 0.483 0.000 0.682 716 A CB 0.425 19.775 19.000 0.583 0.000 1.278 716 A HN 0.916 nan 8.150 nan 0.000 0.410 717 W N 0.038 121.510 121.300 0.287 0.000 3.066 717 W HA 0.822 5.499 4.660 0.028 0.000 0.330 717 W C -1.199 175.346 176.519 0.044 0.000 1.253 717 W CA -0.619 56.778 57.345 0.087 0.000 1.187 717 W CB 1.191 30.677 29.460 0.044 0.000 1.434 717 W HN 1.037 nan 8.180 nan 0.000 0.572 718 Q N 0.971 120.795 119.800 0.041 0.000 2.594 718 Q HA 0.432 4.788 4.340 0.027 0.000 0.278 718 Q C -1.607 174.230 176.000 -0.273 0.000 0.961 718 Q CA -0.456 55.212 55.803 -0.225 0.000 0.844 718 Q CB 2.272 30.661 28.738 -0.581 0.000 1.475 718 Q HN 0.644 nan 8.270 nan 0.000 0.389 719 Q N 1.102 120.664 119.800 -0.397 0.000 2.484 719 Q HA 0.672 5.028 4.340 0.027 0.000 0.285 719 Q C -1.131 174.720 176.000 -0.247 0.000 1.097 719 Q CA -0.739 55.031 55.803 -0.055 0.000 0.802 719 Q CB 2.524 31.435 28.738 0.288 0.000 1.444 719 Q HN 0.607 nan 8.270 nan 0.000 0.429 720 W N 0.543 121.999 121.300 0.261 0.000 3.167 720 W HA 0.444 5.120 4.660 0.026 0.000 0.324 720 W C -0.479 175.973 176.519 -0.111 0.000 1.230 720 W CA -0.666 56.731 57.345 0.087 0.000 1.184 720 W CB 1.818 31.296 29.460 0.030 0.000 1.414 720 W HN 0.423 nan 8.180 nan 0.000 0.551 721 R N 1.479 121.858 120.500 -0.201 0.000 2.390 721 R HA 0.492 4.848 4.340 0.027 0.000 0.291 721 R C 0.516 176.679 176.300 -0.229 0.000 1.070 721 R CA -0.169 55.552 56.100 -0.632 0.000 1.014 721 R CB 1.165 31.043 30.300 -0.703 0.000 1.007 721 R HN 0.300 nan 8.270 nan 0.000 0.466 722 L N 1.201 122.300 121.223 -0.207 0.000 2.793 722 L HA 0.520 4.877 4.340 0.027 0.000 0.188 722 L C 0.536 177.334 176.870 -0.120 0.000 1.949 722 L CA -0.992 53.786 54.840 -0.102 0.000 2.556 722 L CB -0.037 42.002 42.059 -0.032 0.000 2.898 722 L HN 0.603 nan 8.230 nan 0.000 0.621 723 A N 0.313 123.088 122.820 -0.074 0.000 2.445 723 A HA 0.203 4.539 4.320 0.027 0.000 0.242 723 A C -0.321 177.222 177.584 -0.069 0.000 1.075 723 A CA 0.181 52.181 52.037 -0.063 0.000 0.777 723 A CB 0.164 19.143 19.000 -0.034 0.000 1.013 723 A HN 0.607 nan 8.150 nan 0.000 0.493 724 E N 0.992 121.155 120.200 -0.062 0.000 2.222 724 E HA 0.320 4.686 4.350 0.027 0.000 0.267 724 E C -1.339 175.250 176.600 -0.019 0.000 0.884 724 E CA -0.676 55.695 56.400 -0.048 0.000 0.764 724 E CB 0.884 30.547 29.700 -0.061 0.000 1.169 724 E HN 0.702 nan 8.360 nan 0.000 0.413 725 N N 4.949 123.649 118.700 0.000 0.000 2.518 725 N HA 0.260 5.016 4.740 0.027 0.000 0.254 725 N C -0.644 174.876 175.510 0.017 0.000 0.979 725 N CA -0.339 52.716 53.050 0.008 0.000 0.930 725 N CB 1.178 39.673 38.487 0.014 0.000 1.152 725 N HN 0.454 nan 8.380 nan 0.000 0.505 726 L N 0.759 121.991 121.223 0.015 0.000 2.456 726 L HA 0.108 4.464 4.340 0.027 0.000 0.272 726 L C 1.331 178.218 176.870 0.028 0.000 1.189 726 L CA 0.093 54.947 54.840 0.023 0.000 0.846 726 L CB 0.488 42.560 42.059 0.022 0.000 1.111 726 L HN 0.353 nan 8.230 nan 0.000 0.475 727 S N 1.394 117.116 115.700 0.037 0.000 2.488 727 S HA 0.230 4.716 4.470 0.027 0.000 0.278 727 S C 0.561 175.181 174.600 0.033 0.000 1.259 727 S CA -0.781 57.442 58.200 0.037 0.000 1.061 727 S CB 0.603 63.830 63.200 0.045 0.000 0.910 727 S HN 0.465 nan 8.310 nan 0.000 0.491 728 V N 2.304 122.235 119.914 0.028 0.000 3.276 728 V HA 0.361 4.497 4.120 0.027 0.000 0.319 728 V C 0.537 176.646 176.094 0.024 0.000 1.427 728 V CA 0.015 62.330 62.300 0.025 0.000 1.102 728 V CB -0.524 31.311 31.823 0.020 0.000 1.020 728 V HN 0.829 nan 8.190 nan 0.000 0.456 729 T N 0.925 115.496 114.554 0.027 0.000 2.795 729 T HA 0.735 5.101 4.350 0.027 0.000 0.282 729 T C -0.258 174.458 174.700 0.027 0.000 0.980 729 T CA -0.615 61.500 62.100 0.025 0.000 1.012 729 T CB 1.446 70.329 68.868 0.025 0.000 0.936 729 T HN 0.339 nan 8.240 nan 0.000 0.457 730 L N 3.201 124.438 121.223 0.023 0.000 2.455 730 L HA 0.453 4.809 4.340 0.027 0.000 0.272 730 L C -2.033 174.850 176.870 0.021 0.000 1.174 730 L CA -1.445 53.408 54.840 0.021 0.000 0.869 730 L CB -1.199 40.871 42.059 0.019 0.000 1.130 730 L HN 0.441 nan 8.230 nan 0.000 0.474 731 P HA 0.386 nan 4.420 nan 0.000 0.282 731 P C -0.660 176.645 177.300 0.009 0.000 1.249 731 P CA -0.578 62.531 63.100 0.016 0.000 0.806 731 P CB 1.103 32.810 31.700 0.013 0.000 0.984 732 A N 2.306 125.132 122.820 0.011 0.000 2.522 732 A HA 0.435 4.772 4.320 0.027 0.000 0.256 732 A C 0.700 178.270 177.584 -0.024 0.000 1.086 732 A CA -0.121 51.923 52.037 0.012 0.000 0.763 732 A CB -0.644 18.379 19.000 0.038 0.000 1.024 732 A HN 0.661 nan 8.150 nan 0.000 0.502 733 A N 3.968 126.779 122.820 -0.015 0.000 2.520 733 A HA 0.475 4.811 4.320 0.027 0.000 0.245 733 A C 1.030 178.559 177.584 -0.093 0.000 1.072 733 A CA 0.227 52.243 52.037 -0.035 0.000 0.761 733 A CB -0.564 18.431 19.000 -0.008 0.000 1.004 733 A HN 1.911 nan 8.150 nan 0.000 0.499 734 S N 2.158 117.784 115.700 -0.125 0.000 2.952 734 S HA -0.127 4.359 4.470 0.027 0.000 0.351 734 S C 0.215 174.728 174.600 -0.144 0.000 1.211 734 S CA 1.103 59.194 58.200 -0.182 0.000 1.002 734 S CB -0.420 62.732 63.200 -0.081 0.000 0.702 734 S HN 0.820 nan 8.310 nan 0.000 0.495 735 H N 0.368 119.454 119.070 0.027 0.000 2.592 735 H HA 0.636 5.208 4.556 0.027 0.000 0.291 735 H C 0.432 175.775 175.328 0.025 0.000 1.052 735 H CA 0.226 56.288 56.048 0.023 0.000 1.175 735 H CB -0.309 29.465 29.762 0.019 0.000 1.378 735 H HN 0.909 nan 8.280 nan 0.000 0.576 736 A N 0.843 123.704 122.820 0.067 0.000 2.583 736 A HA 0.486 4.822 4.320 0.027 0.000 0.292 736 A C -1.730 175.878 177.584 0.040 0.000 1.045 736 A CA -0.852 51.221 52.037 0.060 0.000 0.672 736 A CB 0.834 19.877 19.000 0.072 0.000 1.283 736 A HN 0.263 nan 8.150 nan 0.000 0.419 737 I N 0.659 121.258 120.570 0.048 0.000 2.509 737 I HA 0.820 5.006 4.170 0.027 0.000 0.293 737 I C -2.719 173.436 176.117 0.063 0.000 1.020 737 I CA -2.156 59.168 61.300 0.040 0.000 1.088 737 I CB 2.146 40.162 38.000 0.027 0.000 1.267 737 I HN 0.386 nan 8.210 nan 0.000 0.430 738 P HA 0.151 nan 4.420 nan 0.000 0.271 738 P C -1.399 175.965 177.300 0.106 0.000 1.218 738 P CA 0.108 63.256 63.100 0.080 0.000 0.780 738 P CB 0.310 32.012 31.700 0.003 0.000 0.901 739 H N 2.479 121.578 119.070 0.049 0.000 2.476 739 H HA 0.361 4.933 4.556 0.027 0.000 0.328 739 H C -1.043 174.316 175.328 0.051 0.000 1.073 739 H CA -0.902 55.170 56.048 0.039 0.000 1.229 739 H CB 1.087 30.873 29.762 0.041 0.000 1.432 739 H HN 0.244 nan 8.280 nan 0.000 0.477 740 L N 4.858 125.704 121.223 -0.629 0.000 2.312 740 L HA 0.294 4.650 4.340 0.027 0.000 0.281 740 L C -0.584 176.023 176.870 -0.438 0.000 1.070 740 L CA 0.004 54.617 54.840 -0.378 0.000 0.805 740 L CB 1.501 43.403 42.059 -0.262 0.000 1.174 740 L HN 0.557 nan 8.230 nan 0.000 0.434 741 T N 3.401 117.889 114.554 -0.109 0.000 2.792 741 T HA 0.496 4.862 4.350 0.027 0.000 0.280 741 T C -0.394 174.373 174.700 0.112 0.000 0.990 741 T CA -0.397 61.710 62.100 0.013 0.000 0.960 741 T CB 1.105 70.023 68.868 0.083 0.000 0.939 741 T HN 0.679 nan 8.240 nan 0.000 0.439 742 T N 2.986 117.614 114.554 0.124 0.000 2.824 742 T HA 0.714 5.080 4.350 0.027 0.000 0.280 742 T C 0.010 174.754 174.700 0.075 0.000 0.995 742 T CA -0.726 61.492 62.100 0.197 0.000 1.009 742 T CB 1.210 70.227 68.868 0.248 0.000 0.955 742 T HN 0.710 nan 8.240 nan 0.000 0.452 743 S N 1.619 117.318 115.700 -0.002 0.000 2.651 743 S HA 0.450 4.936 4.470 0.027 0.000 0.279 743 S C 0.668 175.206 174.600 -0.103 0.000 1.148 743 S CA -0.891 57.290 58.200 -0.030 0.000 0.837 743 S CB 1.599 64.790 63.200 -0.015 0.000 1.138 743 S HN 0.478 nan 8.310 nan 0.000 0.478 744 E N 0.361 120.517 120.200 -0.074 0.000 2.110 744 E HA -0.099 4.267 4.350 0.027 0.000 0.193 744 E C 1.449 177.967 176.600 -0.138 0.000 0.988 744 E CA 1.354 57.696 56.400 -0.096 0.000 0.804 744 E CB -0.270 29.397 29.700 -0.055 0.000 0.745 744 E HN 0.548 nan 8.360 nan 0.000 0.458 745 M N 0.478 120.016 119.600 -0.103 0.000 2.287 745 M HA 0.057 4.553 4.480 0.027 0.000 0.266 745 M C 0.048 176.273 176.300 -0.125 0.000 1.079 745 M CA 1.030 56.276 55.300 -0.091 0.000 1.146 745 M CB -0.416 32.163 32.600 -0.035 0.000 1.374 745 M HN -0.110 nan 8.290 nan 0.000 0.435 746 D N -2.257 118.060 120.400 -0.138 0.000 2.579 746 D HA 0.450 5.106 4.640 0.027 0.000 0.257 746 D C -1.362 174.857 176.300 -0.135 0.000 1.176 746 D CA -0.438 53.494 54.000 -0.113 0.000 0.914 746 D CB 1.611 42.436 40.800 0.042 0.000 1.431 746 D HN -0.209 nan 8.370 nan 0.000 0.454 747 F N 1.039 121.060 119.950 0.119 0.000 2.375 747 F HA 0.448 4.991 4.527 0.027 0.000 0.361 747 F C -0.380 175.533 175.800 0.188 0.000 1.117 747 F CA -1.065 56.994 58.000 0.098 0.000 1.037 747 F CB 0.959 39.981 39.000 0.036 0.000 1.192 747 F HN 0.252 nan 8.300 nan 0.000 0.452 748 C N 4.605 124.090 119.300 0.310 0.000 2.411 748 C HA 0.787 5.263 4.460 0.027 0.000 0.330 748 C C -0.236 174.895 174.990 0.235 0.000 1.224 748 C CA -0.751 58.432 59.018 0.276 0.000 1.770 748 C CB 1.005 28.848 27.740 0.173 0.000 2.297 748 C HN 0.507 nan 8.230 nan 0.000 0.507 749 I N 2.249 123.012 120.570 0.322 0.000 2.498 749 I HA 0.504 4.690 4.170 0.027 0.000 0.290 749 I C -0.177 176.186 176.117 0.410 0.000 1.032 749 I CA -0.238 61.232 61.300 0.285 0.000 1.073 749 I CB 1.576 39.717 38.000 0.236 0.000 1.251 749 I HN 0.623 nan 8.210 nan 0.000 0.426 750 E N 4.458 124.847 120.200 0.314 0.000 2.266 750 E HA 0.808 5.174 4.350 0.027 0.000 0.268 750 E C -1.758 175.026 176.600 0.308 0.000 0.879 750 E CA -0.706 55.872 56.400 0.297 0.000 0.762 750 E CB 2.308 32.120 29.700 0.186 0.000 1.199 750 E HN 0.445 nan 8.360 nan 0.000 0.422 751 L N 3.731 125.138 121.223 0.308 0.000 2.676 751 L HA 0.538 4.894 4.340 0.027 0.000 0.262 751 L C 0.202 177.171 176.870 0.165 0.000 0.965 751 L CA 0.706 55.701 54.840 0.258 0.000 0.920 751 L CB 1.136 43.400 42.059 0.341 0.000 1.260 751 L HN 0.684 nan 8.230 nan 0.000 0.422 752 G N 4.460 113.321 108.800 0.102 0.000 2.629 752 G HA2 -0.442 3.534 3.960 0.027 0.000 0.313 752 G HA3 -0.442 3.534 3.960 0.027 0.000 0.313 752 G C 0.633 175.546 174.900 0.021 0.000 1.217 752 G CA 0.684 45.818 45.100 0.057 0.000 0.994 752 G HN 1.234 nan 8.290 nan 0.000 0.549 753 N N 1.587 120.287 118.700 0.001 0.000 2.398 753 N HA 0.102 4.859 4.740 0.027 0.000 0.188 753 N C 0.552 176.014 175.510 -0.080 0.000 1.122 753 N CA 1.034 54.062 53.050 -0.035 0.000 0.866 753 N CB 0.195 38.661 38.487 -0.035 0.000 0.970 753 N HN 0.740 nan 8.380 nan 0.000 0.462 754 K N -0.042 120.303 120.400 -0.092 0.000 2.295 754 K HA 0.508 4.844 4.320 0.027 0.000 0.239 754 K C -0.651 175.778 176.600 -0.285 0.000 0.991 754 K CA -0.788 55.321 56.287 -0.297 0.000 0.845 754 K CB 2.371 34.565 32.500 -0.511 0.000 1.197 754 K HN -0.039 nan 8.250 nan 0.000 0.441 755 R N 1.208 121.441 120.500 -0.444 0.000 2.604 755 R HA 0.318 4.674 4.340 0.027 0.000 0.270 755 R C -1.771 174.459 176.300 -0.117 0.000 1.052 755 R CA -0.591 55.455 56.100 -0.090 0.000 0.902 755 R CB 1.271 31.558 30.300 -0.022 0.000 1.233 755 R HN 0.615 nan 8.270 nan 0.000 0.455 756 W N 3.513 124.900 121.300 0.144 0.000 2.656 756 W HA 0.326 5.002 4.660 0.027 0.000 0.327 756 W C -0.656 175.916 176.519 0.088 0.000 1.041 756 W CA -0.668 56.708 57.345 0.051 0.000 1.229 756 W CB 2.210 31.694 29.460 0.040 0.000 1.397 756 W HN 0.466 nan 8.180 nan 0.000 0.479 757 Q N 2.996 122.891 119.800 0.158 0.000 2.341 757 Q HA 0.369 4.725 4.340 0.027 0.000 0.268 757 Q C -1.764 174.163 176.000 -0.123 0.000 1.013 757 Q CA -0.500 55.396 55.803 0.155 0.000 0.798 757 Q CB 1.093 30.013 28.738 0.304 0.000 1.253 757 Q HN 0.348 nan 8.270 nan 0.000 0.457 758 F N 3.249 123.279 119.950 0.133 0.000 2.361 758 F HA 0.264 4.807 4.527 0.027 0.000 0.364 758 F C 0.703 176.537 175.800 0.058 0.000 1.120 758 F CA -0.834 57.215 58.000 0.080 0.000 1.102 758 F CB 0.920 39.972 39.000 0.087 0.000 1.183 758 F HN 0.493 nan 8.300 nan 0.000 0.476 759 N N 3.622 122.422 118.700 0.167 0.000 2.452 759 N HA 0.045 4.801 4.740 0.027 0.000 0.266 759 N C 0.966 176.504 175.510 0.046 0.000 1.175 759 N CA 0.190 53.296 53.050 0.093 0.000 0.945 759 N CB 0.684 39.231 38.487 0.101 0.000 1.063 759 N HN 0.658 nan 8.380 nan 0.000 0.472 760 R N 2.335 122.794 120.500 -0.068 0.000 2.236 760 R HA -0.058 4.299 4.340 0.027 0.000 0.208 760 R C 0.932 177.181 176.300 -0.086 0.000 1.036 760 R CA 0.974 56.983 56.100 -0.152 0.000 1.001 760 R CB 0.279 30.362 30.300 -0.360 0.000 0.896 760 R HN 0.605 nan 8.270 nan 0.000 0.464 761 Q N -0.540 119.237 119.800 -0.038 0.000 2.302 761 Q HA 0.009 4.365 4.340 0.027 0.000 0.202 761 Q C 1.917 177.922 176.000 0.008 0.000 0.936 761 Q CA 1.339 57.130 55.803 -0.021 0.000 0.886 761 Q CB 0.195 28.932 28.738 -0.001 0.000 0.986 761 Q HN 0.230 nan 8.270 nan 0.000 0.487 762 S N -1.053 114.680 115.700 0.055 0.000 2.456 762 S HA 0.302 4.788 4.470 0.027 0.000 0.224 762 S C 1.644 176.231 174.600 -0.023 0.000 1.035 762 S CA 0.398 58.668 58.200 0.117 0.000 0.940 762 S CB 0.087 63.465 63.200 0.297 0.000 0.799 762 S HN 0.488 nan 8.310 nan 0.000 0.508 763 G N 0.455 109.233 108.800 -0.036 0.000 2.141 763 G HA2 -0.184 3.792 3.960 0.027 0.000 0.242 763 G HA3 -0.184 3.792 3.960 0.027 0.000 0.242 763 G C -0.207 174.632 174.900 -0.101 0.000 0.982 763 G CA 0.210 45.257 45.100 -0.088 0.000 0.662 763 G HN 0.473 nan 8.290 nan 0.000 0.527 764 F N -1.012 119.126 119.950 0.314 0.000 2.556 764 F HA 0.701 5.245 4.527 0.027 0.000 0.327 764 F C 0.449 176.292 175.800 0.072 0.000 1.059 764 F CA -1.634 56.504 58.000 0.230 0.000 0.953 764 F CB 1.396 40.481 39.000 0.142 0.000 1.227 764 F HN 0.018 nan 8.300 nan 0.000 0.478 765 L N 2.087 123.376 121.223 0.111 0.000 2.515 765 L HA 0.196 4.552 4.340 0.027 0.000 0.281 765 L C 0.933 177.695 176.870 -0.180 0.000 1.131 765 L CA 0.478 55.046 54.840 -0.453 0.000 0.905 765 L CB -0.030 41.724 42.059 -0.508 0.000 1.246 765 L HN 0.689 nan 8.230 nan 0.000 0.463 766 S N 2.386 117.990 115.700 -0.159 0.000 2.524 766 S HA 0.259 4.745 4.470 0.027 0.000 0.216 766 S C 0.555 175.038 174.600 -0.195 0.000 0.987 766 S CA -0.139 58.006 58.200 -0.093 0.000 0.909 766 S CB 0.066 63.263 63.200 -0.005 0.000 0.781 766 S HN 0.679 nan 8.310 nan 0.000 0.521 767 Q N -0.061 119.566 119.800 -0.289 0.000 2.527 767 Q HA 0.678 5.034 4.340 0.027 0.000 0.280 767 Q C -1.988 173.693 176.000 -0.531 0.000 0.977 767 Q CA -0.285 55.218 55.803 -0.499 0.000 0.837 767 Q CB 1.661 29.974 28.738 -0.708 0.000 1.454 767 Q HN 0.421 nan 8.270 nan 0.000 0.387 768 M N 1.390 120.580 119.600 -0.684 0.000 2.484 768 M HA 0.646 5.142 4.480 0.027 0.000 0.289 768 M C -1.400 174.578 176.300 -0.537 0.000 1.206 768 M CA -0.463 54.521 55.300 -0.526 0.000 0.892 768 M CB 2.427 34.665 32.600 -0.602 0.000 1.712 768 M HN 0.460 nan 8.290 nan 0.000 0.462 769 W N 2.558 123.637 121.300 -0.369 0.000 3.022 769 W HA 0.640 5.316 4.660 0.027 0.000 0.335 769 W C -1.524 174.809 176.519 -0.310 0.000 1.133 769 W CA -0.637 56.551 57.345 -0.262 0.000 1.219 769 W CB 1.745 31.089 29.460 -0.194 0.000 1.409 769 W HN 0.486 nan 8.180 nan 0.000 0.507 770 I N 2.843 123.412 120.570 -0.003 0.000 2.411 770 I HA 0.430 4.616 4.170 0.027 0.000 0.284 770 I C 0.825 176.937 176.117 -0.009 0.000 1.012 770 I CA 0.147 61.407 61.300 -0.066 0.000 1.119 770 I CB 1.075 39.010 38.000 -0.109 0.000 1.261 770 I HN 0.709 nan 8.210 nan 0.000 0.448 771 G N 5.891 114.680 108.800 -0.018 0.000 2.556 771 G HA2 -0.325 3.651 3.960 0.027 0.000 0.283 771 G HA3 -0.325 3.651 3.960 0.027 0.000 0.283 771 G C 0.303 175.220 174.900 0.029 0.000 1.177 771 G CA 0.561 45.655 45.100 -0.010 0.000 0.978 771 G HN 0.817 nan 8.290 nan 0.000 0.554 772 D N 0.675 121.099 120.400 0.039 0.000 2.388 772 D HA 0.210 4.866 4.640 0.027 0.000 0.221 772 D C 0.628 177.037 176.300 0.182 0.000 1.133 772 D CA 0.183 54.238 54.000 0.092 0.000 0.831 772 D CB 0.194 41.010 40.800 0.027 0.000 0.962 772 D HN 0.490 nan 8.370 nan 0.000 0.502 773 K N 1.231 121.710 120.400 0.133 0.000 2.234 773 K HA 0.216 4.552 4.320 0.027 0.000 0.277 773 K C -0.066 176.521 176.600 -0.022 0.000 1.038 773 K CA -0.542 55.780 56.287 0.059 0.000 0.888 773 K CB 1.321 33.818 32.500 -0.005 0.000 1.091 773 K HN -0.063 nan 8.250 nan 0.000 0.467 774 K N 2.294 122.593 120.400 -0.167 0.000 2.326 774 K HA 0.022 4.358 4.320 0.027 0.000 0.275 774 K C 0.858 177.262 176.600 -0.326 0.000 1.018 774 K CA -0.109 55.856 56.287 -0.537 0.000 0.962 774 K CB 0.831 33.016 32.500 -0.525 0.000 0.953 774 K HN 0.426 nan 8.250 nan 0.000 0.475 775 Q N 1.290 120.873 119.800 -0.361 0.000 2.317 775 Q HA 0.195 4.551 4.340 0.027 0.000 0.220 775 Q C -0.018 175.898 176.000 -0.139 0.000 0.873 775 Q CA 0.375 56.090 55.803 -0.147 0.000 0.936 775 Q CB 0.556 29.253 28.738 -0.069 0.000 1.105 775 Q HN 0.496 nan 8.270 nan 0.000 0.520 776 L N 0.494 121.562 121.223 -0.258 0.000 2.346 776 L HA 0.407 4.763 4.340 0.027 0.000 0.274 776 L C 0.955 177.688 176.870 -0.227 0.000 1.007 776 L CA -0.390 54.318 54.840 -0.220 0.000 0.818 776 L CB 1.646 43.567 42.059 -0.229 0.000 1.284 776 L HN -0.088 nan 8.230 nan 0.000 0.424 777 L N 0.658 121.745 121.223 -0.226 0.000 2.470 777 L HA 0.164 4.520 4.340 0.027 0.000 0.219 777 L C 0.678 177.436 176.870 -0.186 0.000 1.071 777 L CA 0.502 55.220 54.840 -0.204 0.000 0.850 777 L CB 0.576 42.502 42.059 -0.222 0.000 1.040 777 L HN 0.779 nan 8.230 nan 0.000 0.475 778 T N -2.894 111.522 114.554 -0.230 0.000 2.912 778 T HA 0.529 4.895 4.350 0.027 0.000 0.299 778 T C -2.843 171.779 174.700 -0.130 0.000 1.052 778 T CA -2.083 59.930 62.100 -0.145 0.000 0.996 778 T CB 2.275 71.092 68.868 -0.085 0.000 1.070 778 T HN -0.309 nan 8.240 nan 0.000 0.465 779 P HA 0.198 nan 4.420 nan 0.000 0.270 779 P C -0.505 176.757 177.300 -0.064 0.000 1.227 779 P CA -0.686 62.375 63.100 -0.064 0.000 0.788 779 P CB 0.291 31.982 31.700 -0.016 0.000 0.926 780 L N 2.497 123.723 121.223 0.004 0.000 2.283 780 L HA 0.305 4.661 4.340 0.027 0.000 0.287 780 L C 0.141 176.997 176.870 -0.022 0.000 1.073 780 L CA 0.528 55.411 54.840 0.072 0.000 0.822 780 L CB -0.502 41.706 42.059 0.248 0.000 1.186 780 L HN 0.275 nan 8.230 nan 0.000 0.436 781 R N 2.718 123.113 120.500 -0.176 0.000 2.837 781 R HA 0.439 4.795 4.340 0.027 0.000 0.271 781 R C -1.011 175.170 176.300 -0.198 0.000 0.993 781 R CA -1.041 54.799 56.100 -0.434 0.000 0.931 781 R CB 1.331 31.215 30.300 -0.692 0.000 1.206 781 R HN 0.569 nan 8.270 nan 0.000 0.474 782 D N 1.239 121.586 120.400 -0.088 0.000 2.423 782 D HA 0.023 4.679 4.640 0.027 0.000 0.238 782 D C -0.445 175.474 176.300 -0.636 0.000 1.142 782 D CA 0.595 54.400 54.000 -0.325 0.000 0.884 782 D CB 0.650 41.215 40.800 -0.391 0.000 1.199 782 D HN 0.182 nan 8.370 nan 0.000 0.438 783 Q N 1.264 120.493 119.800 -0.952 0.000 2.285 783 Q HA 0.339 4.695 4.340 0.027 0.000 0.269 783 Q C -1.267 174.017 176.000 -1.193 0.000 1.030 783 Q CA -0.582 54.714 55.803 -0.844 0.000 0.788 783 Q CB 0.765 29.226 28.738 -0.461 0.000 1.266 783 Q HN 0.505 nan 8.270 nan 0.000 0.438 784 F N 0.615 120.169 119.950 -0.661 0.000 2.746 784 F HA 0.195 4.738 4.527 0.027 0.000 0.320 784 F C 0.506 175.853 175.800 -0.754 0.000 1.097 784 F CA -0.095 57.396 58.000 -0.848 0.000 1.195 784 F CB 1.418 39.568 39.000 -1.416 0.000 1.056 784 F HN 0.426 nan 8.300 nan 0.000 0.562 785 T N -0.819 113.420 114.554 -0.525 0.000 2.926 785 T HA 0.797 5.163 4.350 0.027 0.000 0.289 785 T C -0.485 173.960 174.700 -0.426 0.000 1.054 785 T CA -0.964 60.758 62.100 -0.630 0.000 1.015 785 T CB 2.811 71.234 68.868 -0.741 0.000 1.167 785 T HN 0.244 nan 8.240 nan 0.000 0.526 786 R N -0.084 120.207 120.500 -0.348 0.000 2.771 786 R HA 0.771 5.128 4.340 0.027 0.000 0.274 786 R C -0.806 175.548 176.300 0.090 0.000 0.987 786 R CA -1.236 54.795 56.100 -0.115 0.000 0.908 786 R CB 1.535 31.778 30.300 -0.094 0.000 1.213 786 R HN 0.815 nan 8.270 nan 0.000 0.468 787 A N 3.262 126.123 122.820 0.068 0.000 2.484 787 A HA 0.292 4.629 4.320 0.027 0.000 0.268 787 A C -2.043 175.611 177.584 0.116 0.000 1.114 787 A CA -1.316 50.764 52.037 0.072 0.000 0.780 787 A CB -0.473 18.514 19.000 -0.021 0.000 1.061 787 A HN 0.529 nan 8.150 nan 0.000 0.505 788 P HA 0.116 nan 4.420 nan 0.000 0.264 788 P C -0.142 177.266 177.300 0.180 0.000 1.193 788 P CA 0.364 63.624 63.100 0.267 0.000 0.763 788 P CB 0.326 32.203 31.700 0.294 0.000 0.810 789 L N 2.450 123.748 121.223 0.125 0.000 2.475 789 L HA 0.139 4.495 4.340 0.027 0.000 0.253 789 L C 1.816 178.695 176.870 0.015 0.000 1.198 789 L CA -0.383 54.465 54.840 0.013 0.000 0.814 789 L CB -0.055 41.944 42.059 -0.101 0.000 1.134 789 L HN 0.299 nan 8.230 nan 0.000 0.478 790 D N 0.316 120.663 120.400 -0.089 0.000 2.149 790 D HA -0.160 4.496 4.640 0.027 0.000 0.198 790 D C 1.644 177.859 176.300 -0.142 0.000 0.990 790 D CA 1.385 55.256 54.000 -0.214 0.000 0.839 790 D CB 0.010 40.607 40.800 -0.338 0.000 0.948 790 D HN 0.471 nan 8.370 nan 0.000 0.460 791 N N 0.973 119.608 118.700 -0.108 0.000 2.381 791 N HA -0.104 4.652 4.740 0.027 0.000 0.182 791 N C 1.118 176.635 175.510 0.013 0.000 1.025 791 N CA 0.661 53.679 53.050 -0.054 0.000 0.888 791 N CB -0.112 38.335 38.487 -0.067 0.000 0.965 791 N HN 0.257 nan 8.380 nan 0.000 0.438 792 D N 0.306 120.729 120.400 0.040 0.000 2.234 792 D HA 0.066 4.723 4.640 0.027 0.000 0.205 792 D C 1.946 178.281 176.300 0.059 0.000 0.962 792 D CA 0.373 54.430 54.000 0.094 0.000 0.855 792 D CB 0.242 41.174 40.800 0.220 0.000 0.951 792 D HN 0.311 nan 8.370 nan 0.000 0.500 793 I N 0.022 120.612 120.570 0.034 0.000 2.585 793 I HA 0.086 4.272 4.170 0.027 0.000 0.254 793 I C 1.751 177.874 176.117 0.011 0.000 1.129 793 I CA 0.548 61.853 61.300 0.010 0.000 1.455 793 I CB -0.185 37.793 38.000 -0.037 0.000 1.111 793 I HN 0.044 nan 8.210 nan 0.000 0.433 794 G N 1.419 110.237 108.800 0.029 0.000 2.574 794 G HA2 -0.352 3.624 3.960 0.027 0.000 0.286 794 G HA3 -0.352 3.624 3.960 0.027 0.000 0.286 794 G C 0.754 175.798 174.900 0.241 0.000 1.212 794 G CA 0.827 46.010 45.100 0.138 0.000 0.979 794 G HN 0.501 nan 8.290 nan 0.000 0.557 795 V N -1.777 118.241 119.914 0.173 0.000 3.623 795 V HA 0.536 4.672 4.120 0.027 0.000 0.271 795 V C 1.433 177.556 176.094 0.047 0.000 1.248 795 V CA 1.493 63.858 62.300 0.108 0.000 1.156 795 V CB -0.070 31.731 31.823 -0.037 0.000 0.870 795 V HN 1.215 nan 8.190 nan 0.000 0.453 796 S N 0.978 116.697 115.700 0.030 0.000 2.560 796 S HA 0.315 4.801 4.470 0.027 0.000 0.284 796 S C -0.077 174.528 174.600 0.009 0.000 1.327 796 S CA 0.087 58.289 58.200 0.003 0.000 1.055 796 S CB 0.205 63.398 63.200 -0.010 0.000 0.868 796 S HN 0.823 nan 8.310 nan 0.000 0.506 797 E N 0.791 120.992 120.200 0.003 0.000 2.392 797 E HA 0.465 4.831 4.350 0.027 0.000 0.279 797 E C 0.516 177.122 176.600 0.009 0.000 0.964 797 E CA -0.489 55.917 56.400 0.011 0.000 0.777 797 E CB 1.372 31.080 29.700 0.013 0.000 1.249 797 E HN 0.566 nan 8.360 nan 0.000 0.449 798 A N 0.755 123.586 122.820 0.018 0.000 1.927 798 A HA -0.237 4.099 4.320 0.027 0.000 0.220 798 A C 1.947 179.538 177.584 0.011 0.000 1.185 798 A CA 2.757 54.804 52.037 0.017 0.000 0.639 798 A CB -1.041 17.973 19.000 0.024 0.000 0.820 798 A HN 0.673 nan 8.150 nan 0.000 0.451 799 T N -4.304 110.256 114.554 0.011 0.000 3.129 799 T HA 0.241 4.607 4.350 0.027 0.000 0.251 799 T C 0.690 175.387 174.700 -0.005 0.000 1.117 799 T CA 0.170 62.273 62.100 0.005 0.000 1.034 799 T CB -0.047 68.825 68.868 0.007 0.000 0.968 799 T HN 0.339 nan 8.240 nan 0.000 0.526 800 R N 1.075 121.570 120.500 -0.008 0.000 3.101 800 R HA 0.277 4.633 4.340 0.027 0.000 0.242 800 R C -1.249 175.039 176.300 -0.020 0.000 1.831 800 R CA -0.594 55.495 56.100 -0.019 0.000 1.321 800 R CB 0.642 30.926 30.300 -0.027 0.000 1.512 800 R HN 0.237 nan 8.270 nan 0.000 0.568 801 I N 1.521 122.080 120.570 -0.018 0.000 2.692 801 I HA -0.023 4.163 4.170 0.027 0.000 0.284 801 I C 0.764 176.860 176.117 -0.035 0.000 1.159 801 I CA 0.048 61.335 61.300 -0.021 0.000 1.423 801 I CB 0.500 38.490 38.000 -0.017 0.000 1.380 801 I HN 0.343 nan 8.210 nan 0.000 0.580 802 D N 8.655 129.030 120.400 -0.041 0.000 2.485 802 D HA 0.278 4.935 4.640 0.027 0.000 0.229 802 D C -1.685 174.568 176.300 -0.079 0.000 1.101 802 D CA -2.188 51.778 54.000 -0.058 0.000 0.906 802 D CB 1.399 42.167 40.800 -0.054 0.000 1.019 802 D HN 0.188 nan 8.370 nan 0.000 0.516 803 P HA -0.134 nan 4.420 nan 0.000 0.223 803 P C 0.853 178.061 177.300 -0.154 0.000 1.144 803 P CA 0.684 63.725 63.100 -0.099 0.000 0.783 803 P CB 0.418 32.070 31.700 -0.081 0.000 0.771 804 N N -0.023 118.578 118.700 -0.164 0.000 2.424 804 N HA 0.049 4.805 4.740 0.027 0.000 0.178 804 N C 0.456 175.776 175.510 -0.318 0.000 1.060 804 N CA 0.090 52.999 53.050 -0.236 0.000 0.901 804 N CB -0.461 37.914 38.487 -0.187 0.000 0.979 804 N HN -0.036 nan 8.380 nan 0.000 0.451 805 A N -0.391 122.288 122.820 -0.234 0.000 2.498 805 A HA 0.048 4.384 4.320 0.027 0.000 0.239 805 A C 0.697 178.077 177.584 -0.340 0.000 1.068 805 A CA -0.293 51.609 52.037 -0.226 0.000 0.766 805 A CB -0.217 18.719 19.000 -0.107 0.000 1.003 805 A HN 0.543 nan 8.150 nan 0.000 0.497 806 W N 1.783 122.829 121.300 -0.423 0.000 2.321 806 W HA -0.192 4.484 4.660 0.026 0.000 0.306 806 W C 2.210 178.149 176.519 -0.967 0.000 1.217 806 W CA 1.730 58.558 57.345 -0.862 0.000 1.257 806 W CB -0.327 28.505 29.460 -1.045 0.000 1.145 806 W HN 0.572 nan 8.180 nan 0.000 0.509 807 V N 0.918 120.688 119.914 -0.239 0.000 2.392 807 V HA -0.278 3.858 4.120 0.027 0.000 0.249 807 V C 2.119 178.276 176.094 0.105 0.000 1.059 807 V CA 2.178 64.530 62.300 0.087 0.000 1.051 807 V CB -0.334 31.596 31.823 0.178 0.000 0.658 807 V HN 0.117 nan 8.190 nan 0.000 0.455 808 E N -0.184 119.993 120.200 -0.037 0.000 2.152 808 E HA -0.170 4.196 4.350 0.027 0.000 0.192 808 E C 2.297 178.862 176.600 -0.058 0.000 0.983 808 E CA 0.882 57.267 56.400 -0.024 0.000 0.818 808 E CB -0.234 29.428 29.700 -0.063 0.000 0.758 808 E HN 0.600 nan 8.360 nan 0.000 0.467 809 R N 0.102 120.485 120.500 -0.195 0.000 2.073 809 R HA -0.112 4.244 4.340 0.027 0.000 0.234 809 R C 2.253 178.496 176.300 -0.095 0.000 1.134 809 R CA 1.450 57.415 56.100 -0.224 0.000 0.952 809 R CB -0.273 29.774 30.300 -0.421 0.000 0.850 809 R HN 0.224 nan 8.270 nan 0.000 0.433 810 W N 1.464 122.731 121.300 -0.055 0.000 2.358 810 W HA -0.067 4.609 4.660 0.027 0.000 0.303 810 W C 1.855 178.338 176.519 -0.060 0.000 1.208 810 W CA 0.762 57.970 57.345 -0.228 0.000 1.274 810 W CB -0.627 28.855 29.460 0.038 0.000 1.138 810 W HN 0.145 nan 8.180 nan 0.000 0.515 811 K N 0.025 120.645 120.400 0.368 0.000 2.026 811 K HA -0.098 4.238 4.320 0.027 0.000 0.208 811 K C 2.282 178.949 176.600 0.112 0.000 1.048 811 K CA 1.787 58.252 56.287 0.296 0.000 0.929 811 K CB -0.594 32.022 32.500 0.193 0.000 0.713 811 K HN -0.029 nan 8.250 nan 0.000 0.439 812 A N 1.148 124.001 122.820 0.055 0.000 1.972 812 A HA -0.108 4.228 4.320 0.027 0.000 0.219 812 A C 2.211 179.789 177.584 -0.009 0.000 1.169 812 A CA 1.834 53.883 52.037 0.021 0.000 0.635 812 A CB -0.557 18.441 19.000 -0.002 0.000 0.810 812 A HN 0.355 nan 8.150 nan 0.000 0.446 813 A N -2.043 120.746 122.820 -0.053 0.000 2.167 813 A HA 0.390 4.726 4.320 0.027 0.000 0.214 813 A C 1.866 179.359 177.584 -0.152 0.000 1.151 813 A CA 1.314 53.317 52.037 -0.056 0.000 0.735 813 A CB -0.777 18.151 19.000 -0.121 0.000 0.802 813 A HN 1.877 nan 8.150 nan 0.000 0.467 814 G N -1.826 106.800 108.800 -0.289 0.000 2.157 814 G HA2 -0.290 3.686 3.960 0.027 0.000 0.239 814 G HA3 -0.290 3.686 3.960 0.027 0.000 0.239 814 G C 0.610 175.486 174.900 -0.039 0.000 0.982 814 G CA 0.626 45.328 45.100 -0.664 0.000 0.650 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.395 117.652 119.070 -0.039 0.000 2.387 815 H HA -0.118 4.454 4.556 0.027 0.000 0.299 815 H C 2.196 177.503 175.328 -0.036 0.000 1.099 815 H CA 1.696 57.743 56.048 -0.002 0.000 1.315 815 H CB 0.076 29.777 29.762 -0.103 0.000 1.380 815 H HN 0.591 nan 8.280 nan 0.000 0.513 816 Y N 0.285 120.706 120.300 0.201 0.000 2.475 816 Y HA -0.055 4.511 4.550 0.027 0.000 0.289 816 Y C 2.157 178.141 175.900 0.139 0.000 1.121 816 Y CA 0.642 58.823 58.100 0.136 0.000 1.257 816 Y CB 0.324 38.850 38.460 0.110 0.000 1.026 816 Y HN 0.160 nan 8.280 nan 0.000 0.555 817 Q N -0.382 119.587 119.800 0.281 0.000 2.319 817 Q HA 0.299 4.655 4.340 0.027 0.000 0.209 817 Q C 0.639 176.827 176.000 0.314 0.000 0.884 817 Q CA -0.136 55.827 55.803 0.266 0.000 0.938 817 Q CB 0.487 29.375 28.738 0.249 0.000 1.098 817 Q HN 0.276 nan 8.270 nan 0.000 0.517 818 A N 2.388 125.419 122.820 0.352 0.000 2.498 818 A HA 0.079 4.415 4.320 0.027 0.000 0.239 818 A C 0.045 177.930 177.584 0.501 0.000 1.068 818 A CA -0.021 52.286 52.037 0.450 0.000 0.766 818 A CB 0.149 19.466 19.000 0.528 0.000 1.003 818 A HN 0.245 nan 8.150 nan 0.000 0.497 819 E N 1.446 121.858 120.200 0.354 0.000 2.195 819 E HA 0.610 4.976 4.350 0.027 0.000 0.271 819 E C -0.399 176.159 176.600 -0.071 0.000 0.923 819 E CA -0.742 55.786 56.400 0.214 0.000 0.790 819 E CB 1.664 31.455 29.700 0.152 0.000 1.155 819 E HN 0.674 nan 8.360 nan 0.000 0.402 820 A N 2.104 124.772 122.820 -0.254 0.000 2.450 820 A HA 0.494 4.830 4.320 0.027 0.000 0.255 820 A C -0.103 177.345 177.584 -0.227 0.000 1.096 820 A CA 0.025 51.661 52.037 -0.668 0.000 0.778 820 A CB 0.272 19.044 19.000 -0.379 0.000 1.031 820 A HN 0.705 nan 8.150 nan 0.000 0.494 821 A N 2.457 125.131 122.820 -0.243 0.000 2.318 821 A HA 0.592 4.928 4.320 0.027 0.000 0.324 821 A C -0.454 177.054 177.584 -0.128 0.000 1.170 821 A CA -0.552 51.420 52.037 -0.108 0.000 0.810 821 A CB 0.597 19.550 19.000 -0.079 0.000 1.198 821 A HN 1.322 nan 8.150 nan 0.000 0.484 822 L N 3.045 124.183 121.223 -0.142 0.000 2.331 822 L HA 0.422 4.778 4.340 0.027 0.000 0.278 822 L C 0.285 177.021 176.870 -0.223 0.000 1.106 822 L CA 0.229 54.877 54.840 -0.320 0.000 0.824 822 L CB 0.497 42.380 42.059 -0.293 0.000 1.142 822 L HN 0.755 nan 8.230 nan 0.000 0.443 823 L N 3.200 124.276 121.223 -0.245 0.000 2.609 823 L HA 0.367 4.723 4.340 0.027 0.000 0.230 823 L C 0.318 177.122 176.870 -0.111 0.000 1.064 823 L CA -0.007 54.757 54.840 -0.126 0.000 0.873 823 L CB 0.097 42.114 42.059 -0.071 0.000 1.139 823 L HN 0.716 nan 8.230 nan 0.000 0.490 824 Q N -0.118 119.588 119.800 -0.157 0.000 2.403 824 Q HA 0.291 4.647 4.340 0.027 0.000 0.267 824 Q C -2.137 173.806 176.000 -0.095 0.000 0.991 824 Q CA -0.423 55.326 55.803 -0.091 0.000 0.906 824 Q CB 3.029 31.739 28.738 -0.048 0.000 1.422 824 Q HN 0.071 nan 8.270 nan 0.000 0.400 825 C N 3.458 122.745 119.300 -0.022 0.000 2.679 825 C HA 0.772 5.248 4.460 0.027 0.000 0.354 825 C C -0.763 174.340 174.990 0.190 0.000 1.067 825 C CA 0.364 59.420 59.018 0.063 0.000 1.317 825 C CB 0.485 28.252 27.740 0.045 0.000 1.843 825 C HN 0.813 nan 8.230 nan 0.000 0.459 826 T N 2.351 116.955 114.554 0.084 0.000 2.906 826 T HA 0.905 5.271 4.350 0.027 0.000 0.295 826 T C -0.536 173.911 174.700 -0.421 0.000 1.075 826 T CA -0.359 61.723 62.100 -0.029 0.000 1.005 826 T CB 1.953 70.787 68.868 -0.057 0.000 1.136 826 T HN 1.547 nan 8.240 nan 0.000 0.498 827 A N 1.468 123.857 122.820 -0.718 0.000 2.371 827 A HA 0.763 5.099 4.320 0.027 0.000 0.311 827 A C -1.157 176.157 177.584 -0.449 0.000 1.068 827 A CA -0.732 50.790 52.037 -0.857 0.000 0.744 827 A CB 1.246 19.313 19.000 -1.554 0.000 1.239 827 A HN 0.879 nan 8.150 nan 0.000 0.435 828 D N 0.792 120.992 120.400 -0.333 0.000 2.671 828 D HA 0.531 5.187 4.640 0.027 0.000 0.232 828 D C -0.967 175.223 176.300 -0.183 0.000 1.114 828 D CA -0.005 53.869 54.000 -0.210 0.000 0.858 828 D CB 2.461 43.172 40.800 -0.149 0.000 1.544 828 D HN 0.424 nan 8.370 nan 0.000 0.471 829 T N 1.553 116.026 114.554 -0.134 0.000 2.794 829 T HA 0.532 4.898 4.350 0.027 0.000 0.280 829 T C 0.450 175.103 174.700 -0.078 0.000 0.987 829 T CA -0.502 61.532 62.100 -0.109 0.000 0.993 829 T CB 1.015 69.829 68.868 -0.090 0.000 0.939 829 T HN 0.115 nan 8.240 nan 0.000 0.449 830 L N 1.244 122.424 121.223 -0.071 0.000 2.347 830 L HA 0.660 5.017 4.340 0.027 0.000 0.268 830 L C 1.931 178.779 176.870 -0.036 0.000 1.019 830 L CA -1.309 53.501 54.840 -0.051 0.000 0.806 830 L CB 0.345 42.373 42.059 -0.052 0.000 1.339 830 L HN 0.697 nan 8.230 nan 0.000 0.463 831 A N 0.252 123.056 122.820 -0.026 0.000 1.972 831 A HA -0.152 4.184 4.320 0.027 0.000 0.219 831 A C 1.033 178.609 177.584 -0.013 0.000 1.169 831 A CA 1.969 53.997 52.037 -0.015 0.000 0.635 831 A CB -0.544 18.450 19.000 -0.010 0.000 0.810 831 A HN 0.899 nan 8.150 nan 0.000 0.446 832 D N -2.879 117.509 120.400 -0.021 0.000 2.582 832 D HA 0.552 5.208 4.640 0.027 0.000 0.246 832 D C 0.033 176.313 176.300 -0.034 0.000 1.334 832 D CA 0.663 54.652 54.000 -0.020 0.000 0.805 832 D CB -0.309 40.480 40.800 -0.018 0.000 1.087 832 D HN 0.486 nan 8.370 nan 0.000 0.499 833 A N -0.639 122.152 122.820 -0.049 0.000 2.540 833 A HA 0.625 4.962 4.320 0.027 0.000 0.291 833 A C -1.816 175.708 177.584 -0.100 0.000 1.083 833 A CA -0.694 51.297 52.037 -0.076 0.000 0.650 833 A CB 1.279 20.233 19.000 -0.077 0.000 1.292 833 A HN 0.008 nan 8.150 nan 0.000 0.435 834 V N 0.471 120.300 119.914 -0.141 0.000 2.555 834 V HA 0.647 4.783 4.120 0.027 0.000 0.302 834 V C -0.969 175.008 176.094 -0.195 0.000 1.038 834 V CA -0.442 61.755 62.300 -0.172 0.000 0.887 834 V CB 1.459 33.170 31.823 -0.186 0.000 0.991 834 V HN 0.893 nan 8.190 nan 0.000 0.434 835 L N 6.363 127.462 121.223 -0.207 0.000 2.316 835 L HA 0.617 4.973 4.340 0.027 0.000 0.280 835 L C -0.805 175.902 176.870 -0.271 0.000 1.006 835 L CA 0.041 54.764 54.840 -0.194 0.000 0.836 835 L CB 1.028 43.006 42.059 -0.135 0.000 1.221 835 L HN 0.399 nan 8.230 nan 0.000 0.418 836 I N 4.058 124.448 120.570 -0.300 0.000 2.359 836 I HA 0.407 4.593 4.170 0.027 0.000 0.294 836 I C 0.086 176.138 176.117 -0.108 0.000 0.987 836 I CA -0.194 60.871 61.300 -0.392 0.000 1.225 836 I CB 1.396 38.882 38.000 -0.857 0.000 1.366 836 I HN 0.550 nan 8.210 nan 0.000 0.466 837 T N 5.088 119.585 114.554 -0.094 0.000 2.786 837 T HA 0.585 4.951 4.350 0.027 0.000 0.283 837 T C 0.210 174.936 174.700 0.043 0.000 0.992 837 T CA -0.530 61.571 62.100 0.001 0.000 0.954 837 T CB 1.551 70.397 68.868 -0.037 0.000 0.934 837 T HN 0.779 nan 8.240 nan 0.000 0.440 838 T N -0.196 114.429 114.554 0.118 0.000 2.916 838 T HA 0.897 5.263 4.350 0.027 0.000 0.292 838 T C -1.028 173.721 174.700 0.082 0.000 1.064 838 T CA -1.112 61.042 62.100 0.090 0.000 1.011 838 T CB 2.070 71.071 68.868 0.222 0.000 1.152 838 T HN 0.744 nan 8.240 nan 0.000 0.510 839 A N 1.385 124.182 122.820 -0.038 0.000 2.488 839 A HA 0.727 5.063 4.320 0.027 0.000 0.295 839 A C -1.506 176.009 177.584 -0.115 0.000 1.045 839 A CA -0.783 51.278 52.037 0.041 0.000 0.703 839 A CB 0.846 19.867 19.000 0.035 0.000 1.271 839 A HN 0.992 nan 8.150 nan 0.000 0.400 840 H N 0.163 119.276 119.070 0.071 0.000 2.821 840 H HA 0.791 5.363 4.556 0.027 0.000 0.373 840 H C 0.006 175.322 175.328 -0.021 0.000 1.165 840 H CA 0.285 56.286 56.048 -0.078 0.000 1.154 840 H CB 2.140 31.761 29.762 -0.235 0.000 1.765 840 H HN 0.996 nan 8.280 nan 0.000 0.549 841 A N 1.887 124.692 122.820 -0.025 0.000 2.342 841 A HA 0.442 4.778 4.320 0.027 0.000 0.323 841 A C -1.289 176.258 177.584 -0.062 0.000 1.125 841 A CA -0.694 51.398 52.037 0.092 0.000 0.785 841 A CB 1.057 20.097 19.000 0.066 0.000 1.221 841 A HN 0.580 nan 8.150 nan 0.000 0.463 842 W N 1.866 123.288 121.300 0.204 0.000 2.429 842 W HA 0.443 5.120 4.660 0.027 0.000 0.314 842 W C -0.420 176.146 176.519 0.077 0.000 1.062 842 W CA -0.109 57.359 57.345 0.205 0.000 1.211 842 W CB 1.766 31.415 29.460 0.314 0.000 1.305 842 W HN 0.774 nan 8.180 nan 0.000 0.476 843 Q N 1.797 121.750 119.800 0.256 0.000 2.451 843 Q HA 0.435 4.791 4.340 0.027 0.000 0.281 843 Q C -1.012 175.134 176.000 0.242 0.000 1.099 843 Q CA -0.892 55.017 55.803 0.176 0.000 0.806 843 Q CB 3.679 32.473 28.738 0.094 0.000 1.419 843 Q HN 0.401 nan 8.270 nan 0.000 0.427 844 H N 1.265 120.380 119.070 0.075 0.000 3.017 844 H HA 0.094 4.666 4.556 0.027 0.000 0.340 844 H C -0.961 174.402 175.328 0.059 0.000 1.014 844 H CA -0.184 55.915 56.048 0.084 0.000 1.341 844 H CB 1.235 31.056 29.762 0.098 0.000 1.739 844 H HN 0.831 nan 8.280 nan 0.000 0.506 845 Q N 3.074 122.607 119.800 -0.444 0.000 2.416 845 Q HA -0.260 4.096 4.340 0.027 0.000 0.319 845 Q C 1.015 176.960 176.000 -0.092 0.000 1.318 845 Q CA 1.239 56.875 55.803 -0.278 0.000 0.915 845 Q CB -1.274 27.273 28.738 -0.319 0.000 1.184 845 Q HN 1.180 nan 8.270 nan 0.000 0.444 846 G N -0.765 108.007 108.800 -0.046 0.000 2.225 846 G HA2 -0.383 3.593 3.960 0.027 0.000 0.254 846 G HA3 -0.383 3.593 3.960 0.027 0.000 0.254 846 G C 0.056 174.964 174.900 0.014 0.000 0.988 846 G CA 0.465 45.559 45.100 -0.010 0.000 0.625 846 G HN 0.399 nan 8.290 nan 0.000 0.527 847 K N 1.471 121.890 120.400 0.032 0.000 2.185 847 K HA 0.652 4.988 4.320 0.027 0.000 0.269 847 K C -0.071 176.553 176.600 0.041 0.000 0.987 847 K CA -0.123 56.188 56.287 0.040 0.000 0.865 847 K CB 1.042 33.579 32.500 0.061 0.000 1.090 847 K HN -0.014 nan 8.250 nan 0.000 0.450 848 T N 6.171 120.738 114.554 0.022 0.000 2.723 848 T HA 0.210 4.577 4.350 0.027 0.000 0.297 848 T C 1.078 175.739 174.700 -0.064 0.000 0.925 848 T CA -0.373 61.738 62.100 0.019 0.000 1.030 848 T CB 0.222 69.115 68.868 0.041 0.000 0.905 848 T HN 0.544 nan 8.240 nan 0.000 0.502 849 L N 2.456 123.569 121.223 -0.183 0.000 2.084 849 L HA 0.272 4.628 4.340 0.027 0.000 0.202 849 L C -0.154 176.261 176.870 -0.758 0.000 1.074 849 L CA 1.048 55.504 54.840 -0.640 0.000 0.757 849 L CB 0.036 41.376 42.059 -1.197 0.000 0.918 849 L HN 0.489 nan 8.230 nan 0.000 0.444 850 F N -1.259 118.659 119.950 -0.053 0.000 2.601 850 F HA 0.540 5.083 4.527 0.027 0.000 0.309 850 F C -0.493 175.422 175.800 0.191 0.000 1.089 850 F CA -0.984 56.923 58.000 -0.155 0.000 0.940 850 F CB 1.500 40.001 39.000 -0.831 0.000 1.273 850 F HN -0.306 nan 8.300 nan 0.000 0.450 851 I N 1.496 122.293 120.570 0.379 0.000 2.436 851 I HA 0.409 4.595 4.170 0.027 0.000 0.289 851 I C -0.661 175.723 176.117 0.445 0.000 1.010 851 I CA -0.539 61.006 61.300 0.409 0.000 1.098 851 I CB 2.110 40.259 38.000 0.249 0.000 1.266 851 I HN 0.544 nan 8.210 nan 0.000 0.434 852 S N 6.935 122.996 115.700 0.602 0.000 2.530 852 S HA 0.550 5.036 4.470 0.027 0.000 0.322 852 S C -0.592 174.242 174.600 0.390 0.000 1.085 852 S CA -0.692 57.824 58.200 0.527 0.000 1.096 852 S CB 0.486 64.116 63.200 0.717 0.000 0.988 852 S HN 0.526 nan 8.310 nan 0.000 0.466 853 R N 3.737 124.389 120.500 0.255 0.000 2.387 853 R HA 0.567 4.923 4.340 0.027 0.000 0.314 853 R C -0.595 175.768 176.300 0.106 0.000 0.958 853 R CA -0.753 55.451 56.100 0.173 0.000 0.846 853 R CB 1.688 32.065 30.300 0.129 0.000 1.147 853 R HN 0.544 nan 8.270 nan 0.000 0.447 854 K N 0.839 121.290 120.400 0.086 0.000 2.480 854 K HA 0.476 4.812 4.320 0.027 0.000 0.258 854 K C -0.770 175.801 176.600 -0.049 0.000 0.990 854 K CA -0.910 55.350 56.287 -0.044 0.000 0.857 854 K CB 2.600 35.046 32.500 -0.089 0.000 1.384 854 K HN 0.649 nan 8.250 nan 0.000 0.446 855 T N -1.426 113.024 114.554 -0.175 0.000 2.912 855 T HA 0.570 4.936 4.350 0.027 0.000 0.299 855 T C -1.347 173.205 174.700 -0.246 0.000 1.052 855 T CA -0.750 61.287 62.100 -0.105 0.000 0.996 855 T CB 0.531 69.368 68.868 -0.051 0.000 1.070 855 T HN 0.395 nan 8.240 nan 0.000 0.465 856 Y N 0.894 121.150 120.300 -0.073 0.000 2.350 856 Y HA 0.676 5.243 4.550 0.027 0.000 0.338 856 Y C 0.423 176.241 175.900 -0.138 0.000 0.961 856 Y CA -1.123 56.947 58.100 -0.051 0.000 1.100 856 Y CB 2.010 40.458 38.460 -0.020 0.000 1.179 856 Y HN 0.713 nan 8.280 nan 0.000 0.454 857 R N 4.505 125.018 120.500 0.023 0.000 2.451 857 R HA 0.577 4.933 4.340 0.027 0.000 0.307 857 R C -1.776 174.459 176.300 -0.110 0.000 0.965 857 R CA -0.386 55.677 56.100 -0.062 0.000 0.865 857 R CB 0.727 31.002 30.300 -0.042 0.000 1.174 857 R HN 0.698 nan 8.270 nan 0.000 0.455 858 I N 4.975 125.417 120.570 -0.215 0.000 2.339 858 I HA 0.214 4.400 4.170 0.027 0.000 0.290 858 I C -0.214 175.765 176.117 -0.230 0.000 0.994 858 I CA -0.612 60.476 61.300 -0.353 0.000 1.191 858 I CB 1.459 39.030 38.000 -0.715 0.000 1.343 858 I HN 0.732 nan 8.210 nan 0.000 0.458 859 D N 3.971 124.280 120.400 -0.150 0.000 2.506 859 D HA 0.306 4.962 4.640 0.027 0.000 0.254 859 D C 1.191 177.465 176.300 -0.043 0.000 1.089 859 D CA -0.647 53.305 54.000 -0.081 0.000 1.050 859 D CB 0.821 41.593 40.800 -0.047 0.000 1.221 859 D HN 0.495 nan 8.370 nan 0.000 0.589 860 G N -1.040 107.746 108.800 -0.023 0.000 2.479 860 G HA2 -0.219 3.757 3.960 0.027 0.000 0.220 860 G HA3 -0.219 3.757 3.960 0.027 0.000 0.220 860 G C 1.206 176.105 174.900 -0.001 0.000 1.115 860 G CA 1.192 46.290 45.100 -0.003 0.000 0.757 860 G HN 0.563 nan 8.290 nan 0.000 0.560 861 S N -0.857 114.838 115.700 -0.008 0.000 2.561 861 S HA 0.348 4.834 4.470 0.027 0.000 0.225 861 S C 1.882 176.523 174.600 0.068 0.000 0.977 861 S CA 0.963 59.165 58.200 0.002 0.000 0.926 861 S CB -0.019 63.180 63.200 -0.001 0.000 0.769 861 S HN 1.487 nan 8.310 nan 0.000 0.533 862 G N 0.493 109.358 108.800 0.108 0.000 2.175 862 G HA2 -0.214 3.763 3.960 0.027 0.000 0.244 862 G HA3 -0.214 3.763 3.960 0.027 0.000 0.244 862 G C -0.197 174.859 174.900 0.261 0.000 0.982 862 G CA -0.077 45.171 45.100 0.248 0.000 0.641 862 G HN 0.588 nan 8.290 nan 0.000 0.527 863 Q N -0.154 119.723 119.800 0.129 0.000 2.261 863 Q HA 0.597 4.953 4.340 0.027 0.000 0.252 863 Q C 0.120 176.157 176.000 0.061 0.000 0.915 863 Q CA -0.185 55.699 55.803 0.135 0.000 0.915 863 Q CB 1.630 30.426 28.738 0.096 0.000 1.204 863 Q HN 0.466 nan 8.270 nan 0.000 0.421 864 M N 2.112 121.796 119.600 0.140 0.000 2.066 864 M HA 0.467 4.963 4.480 0.027 0.000 0.340 864 M C -1.274 175.127 176.300 0.169 0.000 1.053 864 M CA -0.433 54.909 55.300 0.069 0.000 0.983 864 M CB 0.929 33.610 32.600 0.135 0.000 1.520 864 M HN 0.686 nan 8.290 nan 0.000 0.428 865 A N 7.060 129.939 122.820 0.098 0.000 2.276 865 A HA 0.651 4.987 4.320 0.027 0.000 0.300 865 A C -0.704 176.917 177.584 0.062 0.000 1.235 865 A CA -0.620 51.477 52.037 0.099 0.000 0.867 865 A CB 0.066 19.101 19.000 0.059 0.000 1.137 865 A HN 0.925 nan 8.150 nan 0.000 0.527 866 I N 2.575 123.174 120.570 0.048 0.000 2.339 866 I HA 0.315 4.501 4.170 0.027 0.000 0.290 866 I C -0.087 175.917 176.117 -0.188 0.000 0.994 866 I CA -0.197 61.023 61.300 -0.132 0.000 1.191 866 I CB 1.944 39.897 38.000 -0.077 0.000 1.343 866 I HN 0.495 nan 8.210 nan 0.000 0.458 867 T N 5.740 120.145 114.554 -0.248 0.000 2.823 867 T HA 0.587 4.953 4.350 0.027 0.000 0.279 867 T C -0.275 174.219 174.700 -0.345 0.000 0.998 867 T CA -0.496 61.456 62.100 -0.246 0.000 0.994 867 T CB 2.042 70.862 68.868 -0.079 0.000 0.960 867 T HN 0.226 nan 8.240 nan 0.000 0.448 868 V N 3.199 122.795 119.914 -0.529 0.000 2.638 868 V HA 0.505 4.641 4.120 0.027 0.000 0.306 868 V C -0.910 175.034 176.094 -0.250 0.000 1.052 868 V CA -0.889 61.127 62.300 -0.475 0.000 0.885 868 V CB 2.183 33.446 31.823 -0.934 0.000 0.999 868 V HN 0.863 nan 8.190 nan 0.000 0.424 869 D N 3.017 123.426 120.400 0.016 0.000 2.542 869 D HA 0.477 5.133 4.640 0.027 0.000 0.252 869 D C -1.016 175.411 176.300 0.211 0.000 1.222 869 D CA -0.086 54.020 54.000 0.176 0.000 0.895 869 D CB 2.669 43.585 40.800 0.194 0.000 1.207 869 D HN 0.247 nan 8.370 nan 0.000 0.558 870 V N 2.333 122.414 119.914 0.277 0.000 2.547 870 V HA 0.318 4.454 4.120 0.027 0.000 0.299 870 V C 0.208 176.452 176.094 0.249 0.000 1.040 870 V CA -0.605 61.871 62.300 0.294 0.000 0.913 870 V CB 2.290 34.329 31.823 0.359 0.000 0.992 870 V HN 0.354 nan 8.190 nan 0.000 0.449 871 E N 2.411 122.742 120.200 0.218 0.000 2.199 871 E HA 0.610 4.976 4.350 0.027 0.000 0.269 871 E C -1.559 175.153 176.600 0.188 0.000 0.899 871 E CA -0.598 55.908 56.400 0.176 0.000 0.772 871 E CB 2.563 32.349 29.700 0.144 0.000 1.155 871 E HN 0.402 nan 8.360 nan 0.000 0.408 872 V N 2.223 122.251 119.914 0.191 0.000 2.444 872 V HA 0.357 4.493 4.120 0.027 0.000 0.294 872 V C 0.082 176.264 176.094 0.147 0.000 1.022 872 V CA -0.893 61.537 62.300 0.217 0.000 0.850 872 V CB 1.417 33.410 31.823 0.282 0.000 0.992 872 V HN 0.837 nan 8.190 nan 0.000 0.426 873 A N 3.668 126.531 122.820 0.071 0.000 2.567 873 A HA 0.260 4.596 4.320 0.027 0.000 0.240 873 A C 1.684 179.334 177.584 0.109 0.000 1.053 873 A CA 0.641 52.713 52.037 0.057 0.000 0.755 873 A CB 0.224 19.224 19.000 -0.001 0.000 0.978 873 A HN 1.366 nan 8.150 nan 0.000 0.507 874 S N 1.402 117.165 115.700 0.105 0.000 2.400 874 S HA -0.193 4.293 4.470 0.027 0.000 0.232 874 S C 0.962 175.640 174.600 0.130 0.000 1.025 874 S CA 1.515 59.796 58.200 0.135 0.000 0.993 874 S CB -0.351 62.908 63.200 0.098 0.000 0.808 874 S HN 0.839 nan 8.310 nan 0.000 0.478 875 D N 0.239 120.688 120.400 0.081 0.000 2.328 875 D HA 0.145 4.801 4.640 0.027 0.000 0.221 875 D C 0.510 176.837 176.300 0.046 0.000 1.072 875 D CA 0.052 54.083 54.000 0.051 0.000 0.850 875 D CB -0.424 40.395 40.800 0.032 0.000 0.922 875 D HN 0.326 nan 8.370 nan 0.000 0.516 876 T N 1.673 116.278 114.554 0.085 0.000 2.922 876 T HA 0.367 4.733 4.350 0.027 0.000 0.285 876 T C -2.577 172.215 174.700 0.153 0.000 1.005 876 T CA -1.910 60.262 62.100 0.120 0.000 1.061 876 T CB 1.268 70.225 68.868 0.148 0.000 1.007 876 T HN -0.110 nan 8.240 nan 0.000 0.502 877 P HA 0.069 nan 4.420 nan 0.000 0.266 877 P C -0.642 176.954 177.300 0.492 0.000 1.195 877 P CA 0.068 63.263 63.100 0.159 0.000 0.768 877 P CB 0.019 31.807 31.700 0.147 0.000 0.838 878 H N 3.545 122.981 119.070 0.609 0.000 3.001 878 H HA 0.090 4.662 4.556 0.027 0.000 0.334 878 H C -1.535 174.145 175.328 0.586 0.000 1.034 878 H CA -1.313 55.033 56.048 0.497 0.000 1.420 878 H CB -0.402 29.588 29.762 0.380 0.000 1.405 878 H HN 0.389 nan 8.280 nan 0.000 0.593 879 P HA 0.022 nan 4.420 nan 0.000 0.277 879 P C 0.096 177.287 177.300 -0.183 0.000 1.240 879 P CA -0.321 62.847 63.100 0.114 0.000 0.798 879 P CB 1.195 32.813 31.700 -0.135 0.000 0.979 880 A N 3.203 125.639 122.820 -0.640 0.000 2.019 880 A HA -0.104 4.232 4.320 0.027 0.000 0.219 880 A C 1.064 178.261 177.584 -0.646 0.000 1.164 880 A CA 1.336 52.970 52.037 -0.671 0.000 0.644 880 A CB -0.560 17.818 19.000 -1.037 0.000 0.805 880 A HN 0.760 nan 8.150 nan 0.000 0.449 881 R N -2.926 117.232 120.500 -0.570 0.000 2.712 881 R HA 0.714 5.070 4.340 0.027 0.000 0.272 881 R C -1.686 174.379 176.300 -0.392 0.000 1.032 881 R CA -0.805 54.984 56.100 -0.520 0.000 0.874 881 R CB 0.741 30.693 30.300 -0.580 0.000 1.256 881 R HN -0.012 nan 8.270 nan 0.000 0.468 882 I N 1.336 121.712 120.570 -0.324 0.000 2.521 882 I HA 0.637 4.823 4.170 0.027 0.000 0.277 882 I C -0.361 175.530 176.117 -0.378 0.000 1.054 882 I CA -0.316 60.822 61.300 -0.270 0.000 1.117 882 I CB 1.738 39.658 38.000 -0.134 0.000 1.217 882 I HN 0.970 nan 8.210 nan 0.000 0.469 883 G N 5.756 114.271 108.800 -0.475 0.000 2.664 883 G HA2 0.739 4.715 3.960 0.027 0.000 0.303 883 G HA3 0.739 4.715 3.960 0.027 0.000 0.303 883 G C -1.609 173.126 174.900 -0.274 0.000 1.243 883 G CA -0.554 44.305 45.100 -0.402 0.000 0.826 883 G HN 0.253 nan 8.290 nan 0.000 0.498 884 L N 0.765 121.873 121.223 -0.193 0.000 2.309 884 L HA 0.666 5.022 4.340 0.027 0.000 0.261 884 L C -0.739 176.033 176.870 -0.164 0.000 1.021 884 L CA -1.143 53.617 54.840 -0.134 0.000 0.823 884 L CB 2.494 44.555 42.059 0.003 0.000 1.366 884 L HN 0.808 nan 8.230 nan 0.000 0.423 885 N N 0.350 118.982 118.700 -0.114 0.000 2.494 885 N HA 0.701 5.457 4.740 0.027 0.000 0.270 885 N C -1.281 174.233 175.510 0.008 0.000 1.285 885 N CA -0.618 52.396 53.050 -0.061 0.000 0.812 885 N CB 2.220 40.693 38.487 -0.023 0.000 1.557 885 N HN 0.858 nan 8.380 nan 0.000 0.487 886 C N -1.355 117.957 119.300 0.021 0.000 3.307 886 C HA 0.591 5.067 4.460 0.027 0.000 0.333 886 C C -1.189 173.592 174.990 -0.349 0.000 1.291 886 C CA -0.830 58.143 59.018 -0.075 0.000 1.273 886 C CB 1.026 28.755 27.740 -0.019 0.000 1.580 886 C HN 0.856 nan 8.230 nan 0.000 0.481 887 Q N 1.592 120.954 119.800 -0.730 0.000 2.372 887 Q HA 0.654 5.010 4.340 0.027 0.000 0.259 887 Q C -0.961 174.722 176.000 -0.528 0.000 0.993 887 Q CA -0.411 54.713 55.803 -1.132 0.000 0.854 887 Q CB 0.849 28.613 28.738 -1.622 0.000 1.231 887 Q HN 0.774 nan 8.270 nan 0.000 0.462 888 L N 2.245 123.266 121.223 -0.337 0.000 2.418 888 L HA 0.300 4.656 4.340 0.027 0.000 0.265 888 L C 1.236 178.032 176.870 -0.124 0.000 1.143 888 L CA -0.211 54.556 54.840 -0.121 0.000 0.809 888 L CB 0.769 42.868 42.059 0.066 0.000 1.124 888 L HN 0.792 nan 8.230 nan 0.000 0.456 889 A N 1.593 124.370 122.820 -0.070 0.000 2.014 889 A HA -0.099 4.237 4.320 0.027 0.000 0.218 889 A C 1.054 178.624 177.584 -0.023 0.000 1.163 889 A CA 0.786 52.781 52.037 -0.071 0.000 0.652 889 A CB -0.247 18.705 19.000 -0.080 0.000 0.808 889 A HN 0.803 nan 8.150 nan 0.000 0.449 890 Q N -0.451 119.372 119.800 0.038 0.000 2.227 890 Q HA 0.516 4.872 4.340 0.027 0.000 0.245 890 Q C -1.469 174.582 176.000 0.086 0.000 0.926 890 Q CA -0.382 55.442 55.803 0.036 0.000 0.895 890 Q CB 1.378 30.135 28.738 0.031 0.000 1.230 890 Q HN 0.107 nan 8.270 nan 0.000 0.450 891 V N 2.797 122.730 119.914 0.030 0.000 2.376 891 V HA 0.690 4.826 4.120 0.027 0.000 0.287 891 V C -0.563 175.515 176.094 -0.028 0.000 1.015 891 V CA -0.471 61.876 62.300 0.079 0.000 0.834 891 V CB 0.811 32.656 31.823 0.037 0.000 1.001 891 V HN 0.865 nan 8.190 nan 0.000 0.428 892 A N 3.257 126.000 122.820 -0.127 0.000 2.299 892 A HA 0.732 5.069 4.320 0.027 0.000 0.332 892 A C 0.723 178.296 177.584 -0.019 0.000 1.131 892 A CA -0.464 51.422 52.037 -0.251 0.000 0.844 892 A CB 1.168 19.754 19.000 -0.690 0.000 1.251 892 A HN 0.799 nan 8.150 nan 0.000 0.486 893 E N -0.144 120.044 120.200 -0.020 0.000 2.107 893 E HA -0.045 4.321 4.350 0.027 0.000 0.191 893 E C 0.207 176.871 176.600 0.107 0.000 0.982 893 E CA 0.867 57.295 56.400 0.047 0.000 0.809 893 E CB 0.151 29.863 29.700 0.021 0.000 0.756 893 E HN 0.432 nan 8.360 nan 0.000 0.459 894 R N 0.103 120.672 120.500 0.115 0.000 2.778 894 R HA 0.487 4.843 4.340 0.027 0.000 0.277 894 R C -0.909 175.568 176.300 0.294 0.000 0.977 894 R CA -0.870 55.334 56.100 0.174 0.000 0.950 894 R CB 1.717 32.089 30.300 0.120 0.000 1.165 894 R HN -0.161 nan 8.270 nan 0.000 0.474 895 V N 2.362 122.471 119.914 0.324 0.000 2.444 895 V HA 0.365 4.502 4.120 0.027 0.000 0.294 895 V C -0.198 176.171 176.094 0.458 0.000 1.022 895 V CA -0.883 61.652 62.300 0.391 0.000 0.850 895 V CB 1.729 33.735 31.823 0.306 0.000 0.992 895 V HN 0.646 nan 8.190 nan 0.000 0.426 896 N N 4.699 123.642 118.700 0.404 0.000 2.296 896 N HA 0.544 5.300 4.740 0.027 0.000 0.294 896 N C -1.385 174.373 175.510 0.413 0.000 1.033 896 N CA -0.433 52.823 53.050 0.343 0.000 0.839 896 N CB 2.788 41.371 38.487 0.160 0.000 1.395 896 N HN 0.801 nan 8.380 nan 0.000 0.479 897 W N 3.076 124.411 121.300 0.059 0.000 3.137 897 W HA 0.587 5.263 4.660 0.027 0.000 0.324 897 W C -2.143 174.340 176.519 -0.059 0.000 1.253 897 W CA -1.083 56.270 57.345 0.013 0.000 1.183 897 W CB 0.704 30.196 29.460 0.054 0.000 1.424 897 W HN 0.238 nan 8.180 nan 0.000 0.566 898 L N 3.882 125.073 121.223 -0.054 0.000 2.295 898 L HA 0.919 5.276 4.340 0.027 0.000 0.281 898 L C -0.025 176.671 176.870 -0.289 0.000 1.018 898 L CA 0.325 54.942 54.840 -0.372 0.000 0.841 898 L CB 0.722 42.643 42.059 -0.230 0.000 1.218 898 L HN 1.009 nan 8.230 nan 0.000 0.424 899 G N 3.709 112.199 108.800 -0.517 0.000 2.348 899 G HA2 0.231 4.207 3.960 0.027 0.000 0.296 899 G HA3 0.231 4.207 3.960 0.027 0.000 0.296 899 G C -1.654 173.275 174.900 0.048 0.000 1.258 899 G CA -1.035 44.003 45.100 -0.103 0.000 0.868 899 G HN 0.436 nan 8.290 nan 0.000 0.488 900 L N 0.835 122.225 121.223 0.278 0.000 2.397 900 L HA 0.632 4.988 4.340 0.027 0.000 0.271 900 L C 1.102 178.101 176.870 0.216 0.000 1.148 900 L CA 0.760 55.731 54.840 0.219 0.000 0.825 900 L CB 0.772 42.910 42.059 0.132 0.000 1.117 900 L HN 1.225 nan 8.230 nan 0.000 0.456 901 G N 2.231 110.962 108.800 -0.114 0.000 2.335 901 G HA2 0.179 4.155 3.960 0.027 0.000 0.291 901 G HA3 0.179 4.155 3.960 0.027 0.000 0.291 901 G C -2.726 171.419 174.900 -1.259 0.000 1.261 901 G CA -0.247 44.505 45.100 -0.580 0.000 0.871 901 G HN 0.317 nan 8.290 nan 0.000 0.491 902 P HA 0.058 nan 4.420 nan 0.000 0.227 902 P C 0.541 177.656 177.300 -0.308 0.000 1.161 902 P CA 0.766 63.254 63.100 -1.021 0.000 0.788 902 P CB 0.345 31.570 31.700 -0.791 0.000 0.822 903 Q N 0.396 120.004 119.800 -0.320 0.000 2.318 903 Q HA 0.145 4.501 4.340 0.027 0.000 0.222 903 Q C 0.378 176.273 176.000 -0.174 0.000 1.003 903 Q CA -0.654 55.037 55.803 -0.186 0.000 0.936 903 Q CB 0.631 29.275 28.738 -0.157 0.000 1.204 903 Q HN 0.133 nan 8.270 nan 0.000 0.524 904 E N 1.197 121.302 120.200 -0.159 0.000 2.568 904 E HA -0.135 4.231 4.350 0.027 0.000 0.262 904 E C -1.107 175.416 176.600 -0.129 0.000 0.961 904 E CA 0.370 56.666 56.400 -0.173 0.000 0.945 904 E CB 0.246 29.912 29.700 -0.055 0.000 0.924 904 E HN 0.595 nan 8.360 nan 0.000 0.467 905 N N 2.520 121.077 118.700 -0.239 0.000 2.367 905 N HA 0.310 5.066 4.740 0.027 0.000 0.278 905 N C -1.898 173.402 175.510 -0.350 0.000 1.117 905 N CA -0.671 52.286 53.050 -0.156 0.000 0.867 905 N CB 0.693 39.106 38.487 -0.123 0.000 1.649 905 N HN 0.224 nan 8.380 nan 0.000 0.479 906 Y N 0.209 120.417 120.300 -0.155 0.000 2.633 906 Y HA 0.520 5.086 4.550 0.027 0.000 0.339 906 Y C -1.657 174.161 175.900 -0.137 0.000 1.045 906 Y CA -2.079 55.915 58.100 -0.176 0.000 1.098 906 Y CB 1.796 40.148 38.460 -0.179 0.000 1.296 906 Y HN 0.432 nan 8.280 nan 0.000 0.494 907 P HA -0.185 nan 4.420 nan 0.000 0.216 907 P C 0.476 177.604 177.300 -0.288 0.000 1.153 907 P CA 2.204 65.311 63.100 0.012 0.000 0.858 907 P CB 0.212 32.043 31.700 0.219 0.000 0.789 908 D N -2.194 117.819 120.400 -0.644 0.000 2.342 908 D HA -0.001 4.655 4.640 0.027 0.000 0.221 908 D C 0.701 176.835 176.300 -0.277 0.000 1.101 908 D CA 0.049 53.482 54.000 -0.944 0.000 0.837 908 D CB -0.212 39.837 40.800 -1.253 0.000 0.938 908 D HN 0.132 nan 8.370 nan 0.000 0.508 909 R N 1.035 121.476 120.500 -0.099 0.000 2.627 909 R HA 0.181 4.537 4.340 0.027 0.000 0.251 909 R C -0.559 175.766 176.300 0.043 0.000 1.524 909 R CA -0.166 55.942 56.100 0.014 0.000 1.606 909 R CB 0.006 30.320 30.300 0.024 0.000 1.396 909 R HN 0.096 nan 8.270 nan 0.000 0.724 910 L N -1.901 119.353 121.223 0.053 0.000 3.259 910 L HA 0.360 4.717 4.340 0.027 0.000 0.292 910 L C 1.351 178.277 176.870 0.094 0.000 1.219 910 L CA 0.106 54.979 54.840 0.055 0.000 1.035 910 L CB 0.243 42.325 42.059 0.037 0.000 1.424 910 L HN 0.084 nan 8.230 nan 0.000 0.603 911 T N -2.639 111.998 114.554 0.139 0.000 2.867 911 T HA 0.015 4.381 4.350 0.027 0.000 0.268 911 T C 1.817 176.561 174.700 0.075 0.000 1.057 911 T CA 1.255 63.463 62.100 0.181 0.000 1.136 911 T CB -0.351 68.682 68.868 0.276 0.000 0.874 911 T HN 0.369 nan 8.240 nan 0.000 0.466 912 A N 1.740 124.602 122.820 0.069 0.000 2.066 912 A HA 0.618 4.955 4.320 0.027 0.000 0.218 912 A C 1.648 179.296 177.584 0.105 0.000 1.157 912 A CA 0.568 52.571 52.037 -0.056 0.000 0.670 912 A CB -1.041 18.091 19.000 0.220 0.000 0.804 912 A HN 0.854 nan 8.150 nan 0.000 0.453 913 A N -1.130 121.713 122.820 0.038 0.000 2.425 913 A HA 0.418 4.755 4.320 0.027 0.000 0.242 913 A C 0.073 177.681 177.584 0.040 0.000 1.077 913 A CA 0.069 52.095 52.037 -0.019 0.000 0.781 913 A CB -0.171 18.807 19.000 -0.036 0.000 1.020 913 A HN 0.500 nan 8.150 nan 0.000 0.494 914 C N 0.555 119.874 119.300 0.032 0.000 2.561 914 C HA 0.529 5.005 4.460 0.027 0.000 0.319 914 C C -0.132 174.975 174.990 0.193 0.000 1.198 914 C CA -0.486 58.612 59.018 0.134 0.000 1.665 914 C CB 0.880 28.724 27.740 0.173 0.000 2.258 914 C HN 0.792 nan 8.230 nan 0.000 0.493 915 F N 3.869 123.682 119.950 -0.228 0.000 2.444 915 F HA 0.454 4.997 4.527 0.027 0.000 0.360 915 F C 0.371 175.833 175.800 -0.562 0.000 1.106 915 F CA 1.218 58.908 58.000 -0.518 0.000 1.170 915 F CB -0.125 38.044 39.000 -1.387 0.000 1.113 915 F HN 0.616 nan 8.300 nan 0.000 0.521 916 D N 3.412 123.181 120.400 -1.052 0.000 2.865 916 D HA 0.187 4.843 4.640 0.027 0.000 0.343 916 D C -1.629 173.757 176.300 -1.524 0.000 1.372 916 D CA -0.746 52.524 54.000 -1.215 0.000 0.862 916 D CB 1.513 41.464 40.800 -1.416 0.000 1.425 916 D HN 0.467 nan 8.370 nan 0.000 0.501 917 R N 0.630 120.320 120.500 -1.350 0.000 2.229 917 R HA 0.536 4.892 4.340 0.027 0.000 0.328 917 R C -1.385 174.165 176.300 -1.250 0.000 1.009 917 R CA -0.209 55.261 56.100 -1.049 0.000 0.864 917 R CB 0.338 30.275 30.300 -0.604 0.000 1.085 917 R HN 0.301 nan 8.270 nan 0.000 0.453 918 W N 2.652 123.436 121.300 -0.861 0.000 2.706 918 W HA 0.417 5.093 4.660 0.027 0.000 0.346 918 W C -0.538 175.604 176.519 -0.629 0.000 1.071 918 W CA -0.716 56.078 57.345 -0.918 0.000 1.206 918 W CB 1.885 30.302 29.460 -1.738 0.000 1.413 918 W HN 0.387 nan 8.180 nan 0.000 0.542 919 D N 2.751 123.116 120.400 -0.058 0.000 2.763 919 D HA 0.452 5.108 4.640 0.027 0.000 0.235 919 D C -1.529 174.865 176.300 0.157 0.000 1.334 919 D CA -0.159 53.895 54.000 0.089 0.000 0.950 919 D CB 1.167 41.983 40.800 0.026 0.000 1.433 919 D HN 0.372 nan 8.370 nan 0.000 0.580 920 L N 3.127 124.513 121.223 0.272 0.000 2.350 920 L HA 0.561 4.917 4.340 0.027 0.000 0.260 920 L C -2.273 174.709 176.870 0.187 0.000 1.015 920 L CA -2.146 52.823 54.840 0.215 0.000 0.821 920 L CB 2.702 44.923 42.059 0.271 0.000 1.370 920 L HN 0.185 nan 8.230 nan 0.000 0.416 921 P HA 0.003 nan 4.420 nan 0.000 0.269 921 P C 0.565 177.944 177.300 0.132 0.000 1.215 921 P CA -0.315 62.854 63.100 0.116 0.000 0.780 921 P CB 0.923 32.671 31.700 0.079 0.000 0.898 922 L N 3.263 124.571 121.223 0.141 0.000 2.081 922 L HA -0.242 4.114 4.340 0.027 0.000 0.212 922 L C 2.245 179.165 176.870 0.083 0.000 1.080 922 L CA 2.667 57.583 54.840 0.126 0.000 0.754 922 L CB -1.437 40.714 42.059 0.153 0.000 0.893 922 L HN 0.443 nan 8.230 nan 0.000 0.433 923 S N -1.925 113.824 115.700 0.082 0.000 2.442 923 S HA -0.159 4.327 4.470 0.027 0.000 0.236 923 S C 1.580 176.249 174.600 0.115 0.000 1.007 923 S CA 1.038 59.300 58.200 0.103 0.000 0.965 923 S CB -0.732 62.527 63.200 0.098 0.000 0.773 923 S HN 0.515 nan 8.310 nan 0.000 0.504 924 D N 1.285 121.730 120.400 0.075 0.000 2.348 924 D HA 0.080 4.736 4.640 0.027 0.000 0.216 924 D C 1.258 177.564 176.300 0.012 0.000 0.970 924 D CA 0.613 54.635 54.000 0.038 0.000 0.889 924 D CB -0.144 40.684 40.800 0.045 0.000 0.912 924 D HN 0.392 nan 8.370 nan 0.000 0.524 925 M N -0.391 119.227 119.600 0.029 0.000 2.561 925 M HA 0.033 4.529 4.480 0.027 0.000 0.238 925 M C 0.031 176.335 176.300 0.007 0.000 1.131 925 M CA 0.051 55.326 55.300 -0.042 0.000 1.046 925 M CB -0.806 31.755 32.600 -0.066 0.000 1.532 925 M HN -0.047 nan 8.290 nan 0.000 0.497 926 Y N -0.007 120.259 120.300 -0.056 0.000 2.376 926 Y HA 0.499 5.065 4.550 0.027 0.000 0.340 926 Y C -0.812 175.064 175.900 -0.041 0.000 0.965 926 Y CA -1.079 57.014 58.100 -0.012 0.000 1.078 926 Y CB 1.313 39.823 38.460 0.084 0.000 1.193 926 Y HN -0.151 nan 8.280 nan 0.000 0.452 927 T N 9.109 123.292 114.554 -0.619 0.000 2.758 927 T HA 0.295 4.661 4.350 0.027 0.000 0.285 927 T C -2.659 171.369 174.700 -1.120 0.000 0.981 927 T CA -1.478 60.178 62.100 -0.740 0.000 0.965 927 T CB 1.133 69.627 68.868 -0.623 0.000 0.927 927 T HN 0.468 nan 8.240 nan 0.000 0.448 928 P HA 0.143 nan 4.420 nan 0.000 0.218 928 P C -0.654 176.623 177.300 -0.039 0.000 1.793 928 P CA -0.522 62.189 63.100 -0.648 0.000 0.941 928 P CB -0.561 30.899 31.700 -0.401 0.000 1.919 929 Y N -0.115 120.237 120.300 0.085 0.000 2.702 929 Y HA -0.122 4.444 4.550 0.027 0.000 0.336 929 Y C 2.311 178.334 175.900 0.206 0.000 1.235 929 Y CA 0.126 58.351 58.100 0.207 0.000 1.492 929 Y CB 0.064 38.526 38.460 0.005 0.000 1.308 929 Y HN -0.078 nan 8.280 nan 0.000 0.589 930 V N 3.119 123.323 119.914 0.483 0.000 2.282 930 V HA -0.300 3.836 4.120 0.027 0.000 0.249 930 V C 0.650 176.923 176.094 0.298 0.000 1.057 930 V CA 1.535 64.067 62.300 0.386 0.000 1.032 930 V CB -0.653 31.422 31.823 0.419 0.000 0.645 930 V HN 0.609 nan 8.190 nan 0.000 0.447 931 F N 3.056 123.056 119.950 0.084 0.000 2.371 931 F HA 0.526 5.069 4.527 0.027 0.000 0.363 931 F C -2.550 173.255 175.800 0.009 0.000 1.122 931 F CA -3.428 54.554 58.000 -0.031 0.000 1.129 931 F CB 0.830 39.679 39.000 -0.252 0.000 1.173 931 F HN -0.017 nan 8.300 nan 0.000 0.489 932 P HA 0.324 nan 4.420 nan 0.000 0.275 932 P C -1.119 175.870 177.300 -0.518 0.000 1.228 932 P CA -0.031 62.826 63.100 -0.406 0.000 0.786 932 P CB 1.413 32.923 31.700 -0.317 0.000 0.927 933 S N -0.140 115.450 115.700 -0.184 0.000 2.703 933 S HA 0.445 4.931 4.470 0.027 0.000 0.273 933 S C -0.837 173.759 174.600 -0.007 0.000 1.178 933 S CA -0.958 57.172 58.200 -0.117 0.000 0.838 933 S CB 0.345 63.497 63.200 -0.081 0.000 1.178 933 S HN 0.349 nan 8.310 nan 0.000 0.494 934 E N 1.136 121.343 120.200 0.010 0.000 2.452 934 E HA 0.384 4.750 4.350 0.027 0.000 0.261 934 E C -0.213 176.450 176.600 0.104 0.000 0.987 934 E CA 0.648 57.086 56.400 0.063 0.000 0.926 934 E CB -0.132 29.630 29.700 0.103 0.000 0.934 934 E HN 0.800 nan 8.360 nan 0.000 0.452 935 N N 1.365 120.167 118.700 0.171 0.000 3.046 935 N HA 0.467 5.223 4.740 0.027 0.000 0.243 935 N C 0.125 175.714 175.510 0.131 0.000 1.452 935 N CA -0.557 52.639 53.050 0.244 0.000 0.882 935 N CB 0.958 39.606 38.487 0.268 0.000 1.425 935 N HN 0.761 nan 8.380 nan 0.000 0.517 936 G N -1.270 107.573 108.800 0.070 0.000 2.184 936 G HA2 -0.259 3.717 3.960 0.027 0.000 0.264 936 G HA3 -0.259 3.717 3.960 0.027 0.000 0.264 936 G C -0.260 174.394 174.900 -0.410 0.000 0.975 936 G CA 0.383 45.395 45.100 -0.147 0.000 0.642 936 G HN 0.699 nan 8.290 nan 0.000 0.536 937 L N 0.122 121.018 121.223 -0.544 0.000 2.483 937 L HA 0.693 5.049 4.340 0.027 0.000 0.276 937 L C 0.673 176.976 176.870 -0.946 0.000 1.213 937 L CA 0.297 54.576 54.840 -0.934 0.000 0.843 937 L CB 0.584 41.768 42.059 -1.459 0.000 1.107 937 L HN 0.241 nan 8.230 nan 0.000 0.487 938 R N 2.389 122.251 120.500 -1.063 0.000 2.513 938 R HA 0.507 4.863 4.340 0.027 0.000 0.301 938 R C -1.022 174.945 176.300 -0.554 0.000 0.968 938 R CA -0.249 55.359 56.100 -0.819 0.000 0.872 938 R CB 1.416 31.073 30.300 -1.072 0.000 1.177 938 R HN 0.691 nan 8.270 nan 0.000 0.444 939 C N 0.316 119.432 119.300 -0.306 0.000 2.451 939 C HA 0.722 5.198 4.460 0.027 0.000 0.391 939 C C 1.239 176.212 174.990 -0.028 0.000 1.286 939 C CA 0.062 58.974 59.018 -0.177 0.000 1.935 939 C CB 1.424 29.081 27.740 -0.138 0.000 2.188 939 C HN 1.020 nan 8.230 nan 0.000 0.523 940 G N 1.733 110.533 108.800 -0.000 0.000 2.305 940 G HA2 -0.187 3.789 3.960 0.027 0.000 0.287 940 G HA3 -0.187 3.789 3.960 0.027 0.000 0.287 940 G C -0.055 174.917 174.900 0.119 0.000 1.036 940 G CA 0.618 45.773 45.100 0.091 0.000 0.887 940 G HN 0.799 nan 8.290 nan 0.000 0.505 941 T N 0.119 114.604 114.554 -0.116 0.000 2.767 941 T HA 0.526 4.893 4.350 0.027 0.000 0.288 941 T C 1.267 175.641 174.700 -0.542 0.000 0.963 941 T CA -0.626 61.334 62.100 -0.232 0.000 1.019 941 T CB 1.467 70.243 68.868 -0.154 0.000 0.923 941 T HN 0.208 nan 8.240 nan 0.000 0.468 942 R N 1.514 121.930 120.500 -0.141 0.000 2.282 942 R HA 0.296 4.652 4.340 0.027 0.000 0.195 942 R C 0.504 176.837 176.300 0.054 0.000 0.909 942 R CA 0.143 56.228 56.100 -0.025 0.000 1.039 942 R CB 0.375 30.790 30.300 0.192 0.000 1.015 942 R HN 0.724 nan 8.270 nan 0.000 0.513 943 E N 0.436 120.672 120.200 0.060 0.000 2.335 943 E HA 0.361 4.727 4.350 0.027 0.000 0.280 943 E C -1.887 174.853 176.600 0.233 0.000 0.918 943 E CA -0.704 55.814 56.400 0.197 0.000 0.765 943 E CB 1.505 31.288 29.700 0.139 0.000 1.218 943 E HN -0.080 nan 8.360 nan 0.000 0.425 944 L N 3.749 125.168 121.223 0.327 0.000 2.436 944 L HA 0.615 4.971 4.340 0.027 0.000 0.268 944 L C -1.951 175.104 176.870 0.309 0.000 0.974 944 L CA -0.392 54.575 54.840 0.212 0.000 0.826 944 L CB 1.927 43.977 42.059 -0.015 0.000 1.291 944 L HN 0.504 nan 8.230 nan 0.000 0.406 945 N N 4.075 122.934 118.700 0.264 0.000 2.314 945 N HA 0.460 5.216 4.740 0.027 0.000 0.294 945 N C -2.023 173.709 175.510 0.370 0.000 1.029 945 N CA -0.245 52.958 53.050 0.254 0.000 0.845 945 N CB 2.287 40.865 38.487 0.153 0.000 1.321 945 N HN 0.635 nan 8.380 nan 0.000 0.481 946 Y N 0.941 121.375 120.300 0.224 0.000 2.358 946 Y HA 0.397 4.963 4.550 0.027 0.000 0.324 946 Y C 0.626 176.623 175.900 0.161 0.000 1.123 946 Y CA 0.194 58.428 58.100 0.223 0.000 1.067 946 Y CB 0.674 39.330 38.460 0.326 0.000 1.230 946 Y HN 0.840 nan 8.280 nan 0.000 0.429 947 G N 6.422 115.020 108.800 -0.337 0.000 2.611 947 G HA2 -0.303 3.674 3.960 0.027 0.000 0.301 947 G HA3 -0.303 3.674 3.960 0.027 0.000 0.301 947 G C -1.738 173.032 174.900 -0.217 0.000 1.233 947 G CA 0.177 45.079 45.100 -0.329 0.000 0.993 947 G HN 0.599 nan 8.290 nan 0.000 0.553 948 P HA 0.160 nan 4.420 nan 0.000 0.255 948 P C 0.171 177.240 177.300 -0.386 0.000 1.248 948 P CA 0.663 63.554 63.100 -0.350 0.000 0.807 948 P CB 0.057 31.487 31.700 -0.450 0.000 1.150 949 H N 0.421 119.406 119.070 -0.141 0.000 2.481 949 H HA 0.456 5.028 4.556 0.027 0.000 0.339 949 H C -0.082 174.933 175.328 -0.523 0.000 1.131 949 H CA -0.037 55.783 56.048 -0.381 0.000 1.301 949 H CB 1.680 30.989 29.762 -0.755 0.000 1.476 949 H HN 0.078 nan 8.280 nan 0.000 0.529 950 Q N 2.410 121.919 119.800 -0.486 0.000 2.347 950 Q HA 0.271 4.627 4.340 0.027 0.000 0.271 950 Q C -1.570 174.137 176.000 -0.487 0.000 1.064 950 Q CA -0.731 54.892 55.803 -0.300 0.000 0.800 950 Q CB 2.168 30.873 28.738 -0.057 0.000 1.304 950 Q HN 0.580 nan 8.270 nan 0.000 0.438 951 W N 3.526 124.775 121.300 -0.085 0.000 2.785 951 W HA 0.584 5.261 4.660 0.027 0.000 0.333 951 W C -0.280 176.319 176.519 0.133 0.000 1.062 951 W CA -0.779 56.490 57.345 -0.127 0.000 1.233 951 W CB 2.057 31.239 29.460 -0.464 0.000 1.413 951 W HN 0.532 nan 8.180 nan 0.000 0.489 952 R N 0.573 121.314 120.500 0.402 0.000 2.807 952 R HA 0.795 5.151 4.340 0.027 0.000 0.276 952 R C 0.173 176.753 176.300 0.467 0.000 0.979 952 R CA -0.487 55.862 56.100 0.416 0.000 0.928 952 R CB 2.403 32.853 30.300 0.251 0.000 1.191 952 R HN 0.765 nan 8.270 nan 0.000 0.471 953 G N 0.661 109.720 108.800 0.432 0.000 2.553 953 G HA2 -0.014 3.962 3.960 0.027 0.000 0.106 953 G HA3 -0.014 3.962 3.960 0.027 0.000 0.106 953 G C -1.766 173.275 174.900 0.235 0.000 1.126 953 G CA -0.322 45.006 45.100 0.379 0.000 1.075 953 G HN 0.507 nan 8.290 nan 0.000 0.472 954 D N 0.021 120.561 120.400 0.233 0.000 2.411 954 D HA 0.581 5.237 4.640 0.027 0.000 0.239 954 D C -0.667 175.640 176.300 0.011 0.000 1.307 954 D CA -0.466 53.547 54.000 0.023 0.000 0.930 954 D CB 0.109 40.953 40.800 0.074 0.000 1.395 954 D HN 0.591 nan 8.370 nan 0.000 0.536 955 F N -0.314 119.632 119.950 -0.007 0.000 2.824 955 F HA 0.736 5.279 4.527 0.027 0.000 0.330 955 F C -1.063 174.693 175.800 -0.072 0.000 1.175 955 F CA -1.023 56.907 58.000 -0.117 0.000 0.974 955 F CB 0.706 39.635 39.000 -0.119 0.000 1.430 955 F HN -0.162 nan 8.300 nan 0.000 0.507 956 Q N 1.517 121.399 119.800 0.138 0.000 2.345 956 Q HA 0.627 4.983 4.340 0.027 0.000 0.268 956 Q C -1.272 174.799 176.000 0.119 0.000 1.054 956 Q CA -0.492 55.305 55.803 -0.011 0.000 0.835 956 Q CB 2.638 31.268 28.738 -0.180 0.000 1.339 956 Q HN 0.824 nan 8.270 nan 0.000 0.447 957 F N -1.013 118.827 119.950 -0.183 0.000 2.662 957 F HA 0.763 5.307 4.527 0.027 0.000 0.312 957 F C -1.395 174.194 175.800 -0.352 0.000 1.113 957 F CA -1.131 56.719 58.000 -0.250 0.000 0.951 957 F CB 1.497 40.367 39.000 -0.217 0.000 1.344 957 F HN 0.560 nan 8.300 nan 0.000 0.462 958 N N 1.461 119.982 118.700 -0.298 0.000 2.357 958 N HA 0.764 5.520 4.740 0.027 0.000 0.284 958 N C -2.040 173.404 175.510 -0.109 0.000 1.236 958 N CA -0.766 52.074 53.050 -0.350 0.000 0.774 958 N CB 2.622 40.927 38.487 -0.305 0.000 1.534 958 N HN 1.155 nan 8.380 nan 0.000 0.478 959 I N 0.028 120.527 120.570 -0.118 0.000 2.710 959 I HA 0.652 4.838 4.170 0.027 0.000 0.290 959 I C -1.556 174.474 176.117 -0.145 0.000 1.318 959 I CA 0.083 61.286 61.300 -0.162 0.000 1.045 959 I CB 1.342 39.181 38.000 -0.268 0.000 1.307 959 I HN 1.097 nan 8.210 nan 0.000 0.424 960 S N 6.154 121.775 115.700 -0.131 0.000 2.669 960 S HA 0.503 4.989 4.470 0.027 0.000 0.266 960 S C -0.507 173.969 174.600 -0.207 0.000 1.149 960 S CA -0.995 57.110 58.200 -0.157 0.000 0.842 960 S CB 1.569 64.722 63.200 -0.079 0.000 1.160 960 S HN 0.651 nan 8.310 nan 0.000 0.487 961 R N -0.007 120.189 120.500 -0.508 0.000 2.426 961 R HA 0.274 4.630 4.340 0.027 0.000 0.263 961 R C -1.075 174.930 176.300 -0.492 0.000 0.961 961 R CA 0.220 56.047 56.100 -0.457 0.000 1.086 961 R CB -0.868 29.060 30.300 -0.620 0.000 1.186 961 R HN 0.614 nan 8.270 nan 0.000 0.537 962 Y N 0.069 120.336 120.300 -0.056 0.000 2.350 962 Y HA 0.236 4.802 4.550 0.027 0.000 0.338 962 Y C 0.771 176.472 175.900 -0.332 0.000 0.961 962 Y CA -1.476 56.502 58.100 -0.203 0.000 1.100 962 Y CB 1.380 39.665 38.460 -0.292 0.000 1.179 962 Y HN -0.078 nan 8.280 nan 0.000 0.454 963 S N 1.732 117.107 115.700 -0.540 0.000 2.600 963 S HA 0.080 4.566 4.470 0.027 0.000 0.265 963 S C 0.934 175.211 174.600 -0.538 0.000 1.325 963 S CA -0.690 56.839 58.200 -1.118 0.000 1.002 963 S CB 1.097 63.410 63.200 -1.479 0.000 0.921 963 S HN 0.691 nan 8.310 nan 0.000 0.554 964 Q N 0.712 120.214 119.800 -0.498 0.000 2.135 964 Q HA -0.201 4.155 4.340 0.027 0.000 0.204 964 Q C 2.212 178.073 176.000 -0.231 0.000 0.981 964 Q CA 1.922 57.566 55.803 -0.264 0.000 0.856 964 Q CB -0.616 28.002 28.738 -0.200 0.000 0.902 964 Q HN 0.965 nan 8.270 nan 0.000 0.425 965 Q N 0.472 120.092 119.800 -0.300 0.000 2.084 965 Q HA -0.217 4.139 4.340 0.027 0.000 0.202 965 Q C 2.131 178.022 176.000 -0.182 0.000 0.978 965 Q CA 1.552 57.236 55.803 -0.198 0.000 0.844 965 Q CB 0.028 28.648 28.738 -0.196 0.000 0.898 965 Q HN 0.419 nan 8.270 nan 0.000 0.426 966 Q N 0.048 119.711 119.800 -0.229 0.000 2.084 966 Q HA -0.172 4.184 4.340 0.027 0.000 0.202 966 Q C 2.202 178.080 176.000 -0.203 0.000 0.978 966 Q CA 1.312 56.996 55.803 -0.197 0.000 0.844 966 Q CB -0.089 28.509 28.738 -0.234 0.000 0.898 966 Q HN 0.475 nan 8.270 nan 0.000 0.426 967 L N 0.556 121.654 121.223 -0.209 0.000 2.042 967 L HA -0.236 4.120 4.340 0.027 0.000 0.210 967 L C 2.713 179.462 176.870 -0.202 0.000 1.076 967 L CA 1.684 56.400 54.840 -0.207 0.000 0.749 967 L CB -0.551 41.419 42.059 -0.147 0.000 0.893 967 L HN 0.476 nan 8.230 nan 0.000 0.432 968 M N -1.786 117.725 119.600 -0.149 0.000 2.476 968 M HA -0.077 4.419 4.480 0.027 0.000 0.262 968 M C 1.308 177.542 176.300 -0.111 0.000 1.079 968 M CA 1.562 56.790 55.300 -0.121 0.000 1.104 968 M CB -0.363 32.181 32.600 -0.093 0.000 1.409 968 M HN 0.122 nan 8.290 nan 0.000 0.467 969 E N 0.849 120.980 120.200 -0.115 0.000 2.474 969 E HA 0.119 4.485 4.350 0.027 0.000 0.195 969 E C -0.321 176.234 176.600 -0.075 0.000 1.039 969 E CA 0.093 56.447 56.400 -0.076 0.000 0.881 969 E CB 0.556 30.218 29.700 -0.063 0.000 0.970 969 E HN 0.389 nan 8.360 nan 0.000 0.486 970 T N 0.250 114.724 114.554 -0.134 0.000 2.794 970 T HA 0.124 4.490 4.350 0.027 0.000 0.280 970 T C 0.980 175.588 174.700 -0.153 0.000 0.987 970 T CA -0.493 61.527 62.100 -0.133 0.000 0.993 970 T CB 1.673 70.424 68.868 -0.195 0.000 0.939 970 T HN 0.019 nan 8.240 nan 0.000 0.449 971 S N 1.526 117.237 115.700 0.018 0.000 2.517 971 S HA 0.150 4.636 4.470 0.027 0.000 0.214 971 S C 0.178 174.859 174.600 0.135 0.000 0.991 971 S CA 0.039 58.338 58.200 0.164 0.000 0.906 971 S CB -0.151 63.292 63.200 0.405 0.000 0.789 971 S HN 0.735 nan 8.310 nan 0.000 0.513 972 H N 0.790 119.883 119.070 0.039 0.000 2.856 972 H HA 0.458 5.030 4.556 0.027 0.000 0.355 972 H C 0.896 176.215 175.328 -0.015 0.000 1.079 972 H CA -0.805 55.327 56.048 0.140 0.000 1.240 972 H CB 1.513 31.354 29.762 0.131 0.000 1.701 972 H HN 0.116 nan 8.280 nan 0.000 0.527 973 R N 2.172 122.787 120.500 0.192 0.000 2.139 973 R HA -0.204 4.152 4.340 0.027 0.000 0.243 973 R C 1.185 177.504 176.300 0.032 0.000 1.145 973 R CA 2.027 58.176 56.100 0.082 0.000 0.976 973 R CB -0.483 29.917 30.300 0.167 0.000 0.866 973 R HN 0.770 nan 8.270 nan 0.000 0.449 974 H N 0.972 120.067 119.070 0.042 0.000 2.545 974 H HA 0.012 4.584 4.556 0.027 0.000 0.282 974 H C 1.482 176.748 175.328 -0.104 0.000 1.020 974 H CA 0.872 56.906 56.048 -0.025 0.000 1.243 974 H CB -0.166 29.581 29.762 -0.025 0.000 1.377 974 H HN 0.337 nan 8.280 nan 0.000 0.581 975 L N 0.730 121.605 121.223 -0.580 0.000 2.607 975 L HA 0.217 4.574 4.340 0.027 0.000 0.228 975 L C 0.776 177.506 176.870 -0.233 0.000 1.123 975 L CA -0.173 54.384 54.840 -0.473 0.000 0.890 975 L CB 0.151 41.900 42.059 -0.516 0.000 1.103 975 L HN 0.034 nan 8.230 nan 0.000 0.468 976 L N 0.865 121.936 121.223 -0.252 0.000 2.452 976 L HA 0.117 4.473 4.340 0.027 0.000 0.267 976 L C 0.178 176.978 176.870 -0.117 0.000 1.188 976 L CA 0.011 54.660 54.840 -0.317 0.000 0.821 976 L CB 0.323 41.975 42.059 -0.679 0.000 1.102 976 L HN 0.214 nan 8.230 nan 0.000 0.470 977 H N 1.484 120.551 119.070 -0.006 0.000 2.679 977 H HA 0.586 5.158 4.556 0.027 0.000 0.360 977 H C -0.882 174.577 175.328 0.217 0.000 1.105 977 H CA -1.234 54.865 56.048 0.085 0.000 1.196 977 H CB 1.325 31.096 29.762 0.016 0.000 1.636 977 H HN 0.672 nan 8.280 nan 0.000 0.531 978 A N 3.600 126.545 122.820 0.209 0.000 2.520 978 A HA 0.121 4.458 4.320 0.027 0.000 0.245 978 A C 0.323 177.967 177.584 0.099 0.000 1.072 978 A CA -0.209 51.828 52.037 -0.001 0.000 0.761 978 A CB 0.011 18.978 19.000 -0.055 0.000 1.004 978 A HN 0.837 nan 8.150 nan 0.000 0.499 979 E N 0.953 121.183 120.200 0.050 0.000 2.280 979 E HA 0.215 4.581 4.350 0.027 0.000 0.261 979 E C -0.050 176.600 176.600 0.085 0.000 1.088 979 E CA -0.735 55.763 56.400 0.164 0.000 0.915 979 E CB 0.808 30.680 29.700 0.287 0.000 1.141 979 E HN 0.794 nan 8.360 nan 0.000 0.433 980 E N 0.390 120.637 120.200 0.077 0.000 2.392 980 E HA 0.190 4.556 4.350 0.027 0.000 0.264 980 E C 0.320 176.887 176.600 -0.056 0.000 1.024 980 E CA 0.638 57.043 56.400 0.008 0.000 0.903 980 E CB 0.389 30.091 29.700 0.002 0.000 0.963 980 E HN 0.673 nan 8.360 nan 0.000 0.432 981 G N 2.649 111.412 108.800 -0.061 0.000 2.645 981 G HA2 -0.220 3.756 3.960 0.027 0.000 0.239 981 G HA3 -0.220 3.756 3.960 0.027 0.000 0.239 981 G C -0.675 174.155 174.900 -0.117 0.000 1.331 981 G CA -0.137 44.901 45.100 -0.104 0.000 0.890 981 G HN 0.636 nan 8.290 nan 0.000 0.572 982 T N 0.122 114.571 114.554 -0.176 0.000 2.928 982 T HA 0.492 4.859 4.350 0.027 0.000 0.296 982 T C -0.852 173.672 174.700 -0.294 0.000 1.000 982 T CA -0.199 61.808 62.100 -0.156 0.000 0.989 982 T CB 1.335 70.185 68.868 -0.030 0.000 1.005 982 T HN 0.581 nan 8.240 nan 0.000 0.442 983 W N 3.369 124.572 121.300 -0.163 0.000 2.335 983 W HA 0.588 5.265 4.660 0.027 0.000 0.306 983 W C -0.234 176.152 176.519 -0.221 0.000 1.216 983 W CA -0.633 56.615 57.345 -0.161 0.000 1.237 983 W CB 0.677 30.053 29.460 -0.140 0.000 1.243 983 W HN 0.374 nan 8.180 nan 0.000 0.493 984 L N 5.703 126.890 121.223 -0.060 0.000 2.322 984 L HA 0.515 4.871 4.340 0.027 0.000 0.281 984 L C -0.884 175.884 176.870 -0.171 0.000 1.014 984 L CA -0.463 54.239 54.840 -0.229 0.000 0.815 984 L CB 0.884 42.666 42.059 -0.462 0.000 1.247 984 L HN 0.318 nan 8.230 nan 0.000 0.421 985 N N 6.955 125.545 118.700 -0.183 0.000 2.483 985 N HA 0.438 5.195 4.740 0.027 0.000 0.267 985 N C -1.227 174.141 175.510 -0.237 0.000 0.998 985 N CA -0.269 52.674 53.050 -0.178 0.000 0.918 985 N CB 2.185 40.598 38.487 -0.124 0.000 1.215 985 N HN 0.544 nan 8.380 nan 0.000 0.500 986 I N 2.008 122.386 120.570 -0.320 0.000 2.354 986 I HA 0.232 4.418 4.170 0.027 0.000 0.286 986 I C -0.575 175.349 176.117 -0.323 0.000 1.007 986 I CA -0.518 60.552 61.300 -0.383 0.000 1.167 986 I CB 1.334 38.940 38.000 -0.656 0.000 1.320 986 I HN 0.174 nan 8.210 nan 0.000 0.458 987 D N 4.589 124.837 120.400 -0.253 0.000 2.192 987 D HA 0.274 4.930 4.640 0.027 0.000 0.246 987 D C 1.009 177.000 176.300 -0.515 0.000 1.042 987 D CA -0.259 53.524 54.000 -0.363 0.000 0.847 987 D CB 2.529 43.218 40.800 -0.186 0.000 1.186 987 D HN 0.669 nan 8.370 nan 0.000 0.461 988 G N 1.097 109.282 108.800 -1.025 0.000 2.403 988 G HA2 -0.032 3.944 3.960 0.027 0.000 0.216 988 G HA3 -0.032 3.944 3.960 0.027 0.000 0.216 988 G C 0.100 174.223 174.900 -1.295 0.000 1.154 988 G CA 0.604 44.953 45.100 -1.252 0.000 0.784 988 G HN 0.376 nan 8.290 nan 0.000 0.538 989 F N -1.982 117.767 119.950 -0.334 0.000 2.591 989 F HA 0.600 5.143 4.527 0.027 0.000 0.309 989 F C -0.514 175.188 175.800 -0.163 0.000 1.098 989 F CA -1.218 56.666 58.000 -0.194 0.000 0.937 989 F CB 2.075 40.893 39.000 -0.303 0.000 1.250 989 F HN 0.036 nan 8.300 nan 0.000 0.447 990 H N 1.996 121.074 119.070 0.013 0.000 2.771 990 H HA 0.561 5.133 4.556 0.027 0.000 0.361 990 H C -0.780 174.569 175.328 0.034 0.000 1.108 990 H CA -0.905 55.124 56.048 -0.032 0.000 1.201 990 H CB 1.855 31.579 29.762 -0.062 0.000 1.681 990 H HN 0.784 nan 8.280 nan 0.000 0.534 991 M N 3.374 122.912 119.600 -0.104 0.000 2.226 991 M HA 0.322 4.818 4.480 0.027 0.000 0.324 991 M C 0.444 176.861 176.300 0.194 0.000 1.112 991 M CA 0.173 55.497 55.300 0.041 0.000 1.176 991 M CB 0.453 32.980 32.600 -0.121 0.000 1.430 991 M HN 0.831 nan 8.290 nan 0.000 0.462 992 G N 2.438 111.330 108.800 0.154 0.000 2.690 992 G HA2 0.245 4.221 3.960 0.027 0.000 0.239 992 G HA3 0.245 4.221 3.960 0.027 0.000 0.239 992 G C 0.572 175.461 174.900 -0.019 0.000 1.233 992 G CA -0.314 44.810 45.100 0.041 0.000 0.847 992 G HN 0.973 nan 8.290 nan 0.000 0.588 993 I N -1.223 119.287 120.570 -0.099 0.000 3.645 993 I HA 0.426 4.612 4.170 0.027 0.000 0.300 993 I C 1.159 177.205 176.117 -0.118 0.000 1.260 993 I CA 0.402 61.602 61.300 -0.166 0.000 1.365 993 I CB -0.531 37.261 38.000 -0.346 0.000 1.077 993 I HN 0.954 nan 8.210 nan 0.000 0.439 994 G N 1.475 110.231 108.800 -0.073 0.000 2.698 994 G HA2 0.056 4.033 3.960 0.027 0.000 0.233 994 G HA3 0.056 4.033 3.960 0.027 0.000 0.233 994 G C 0.507 175.398 174.900 -0.015 0.000 1.352 994 G CA 0.010 45.102 45.100 -0.014 0.000 0.879 994 G HN 1.318 nan 8.290 nan 0.000 0.567 995 G N -2.363 106.444 108.800 0.012 0.000 2.613 995 G HA2 0.016 3.992 3.960 0.027 0.000 0.199 995 G HA3 0.016 3.992 3.960 0.027 0.000 0.199 995 G C 0.664 175.623 174.900 0.098 0.000 0.991 995 G CA 0.930 46.050 45.100 0.033 0.000 0.756 995 G HN 0.962 nan 8.290 nan 0.000 0.515 996 D N 1.293 121.769 120.400 0.127 0.000 2.190 996 D HA 0.086 4.742 4.640 0.027 0.000 0.200 996 D C 1.017 177.349 176.300 0.053 0.000 0.992 996 D CA 2.108 56.242 54.000 0.224 0.000 0.854 996 D CB 0.127 41.063 40.800 0.226 0.000 0.936 996 D HN 0.809 nan 8.370 nan 0.000 0.462 997 D N -3.457 116.770 120.400 -0.288 0.000 2.643 997 D HA 0.336 4.992 4.640 0.027 0.000 0.283 997 D C -0.782 174.996 176.300 -0.869 0.000 1.242 997 D CA -0.737 52.658 54.000 -1.007 0.000 0.863 997 D CB 0.917 40.549 40.800 -1.947 0.000 1.382 997 D HN -0.307 nan 8.370 nan 0.000 0.444 998 S N -0.578 114.455 115.700 -1.112 0.000 2.651 998 S HA 0.244 4.730 4.470 0.027 0.000 0.246 998 S C -0.548 174.076 174.600 0.041 0.000 1.039 998 S CA -0.660 57.405 58.200 -0.226 0.000 1.013 998 S CB -0.492 62.841 63.200 0.222 0.000 0.861 998 S HN 0.627 nan 8.310 nan 0.000 0.485 999 W N 0.738 121.973 121.300 -0.108 0.000 2.324 999 W HA 0.492 5.168 4.660 0.025 0.000 0.316 999 W C 0.081 176.543 176.519 -0.095 0.000 0.927 999 W CA -0.378 56.902 57.345 -0.109 0.000 1.438 999 W CB -0.387 28.925 29.460 -0.246 0.000 1.085 999 W HN 0.187 nan 8.180 nan 0.000 0.532 1000 S N -0.676 114.873 115.700 -0.252 0.000 2.556 1000 S HA 0.641 5.127 4.470 0.027 0.000 0.271 1000 S C -3.062 171.464 174.600 -0.124 0.000 1.135 1000 S CA -1.730 56.386 58.200 -0.141 0.000 0.858 1000 S CB 1.852 64.994 63.200 -0.098 0.000 1.114 1000 S HN -0.251 nan 8.310 nan 0.000 0.468 1001 P HA 0.166 nan 4.420 nan 0.000 0.262 1001 P C 0.389 177.729 177.300 0.067 0.000 1.182 1001 P CA 0.061 63.173 63.100 0.021 0.000 0.761 1001 P CB 0.654 32.260 31.700 -0.157 0.000 0.795 1002 S N 0.732 116.510 115.700 0.130 0.000 2.780 1002 S HA 0.133 4.619 4.470 0.027 0.000 0.248 1002 S C 0.179 174.862 174.600 0.139 0.000 1.036 1002 S CA -0.300 57.951 58.200 0.085 0.000 1.061 1002 S CB -0.238 62.957 63.200 -0.007 0.000 1.037 1002 S HN 0.104 nan 8.310 nan 0.000 0.584 1003 V N 2.930 122.973 119.914 0.216 0.000 2.439 1003 V HA 0.363 4.499 4.120 0.027 0.000 0.271 1003 V C 0.814 177.055 176.094 0.245 0.000 1.040 1003 V CA -0.246 62.164 62.300 0.183 0.000 1.002 1003 V CB 0.818 32.685 31.823 0.074 0.000 1.000 1003 V HN 0.518 nan 8.190 nan 0.000 0.477 1004 S N 4.079 119.933 115.700 0.256 0.000 2.568 1004 S HA 0.296 4.782 4.470 0.027 0.000 0.282 1004 S C 1.568 176.303 174.600 0.226 0.000 1.338 1004 S CA 0.065 58.409 58.200 0.240 0.000 1.045 1004 S CB 1.133 64.496 63.200 0.273 0.000 0.873 1004 S HN 0.992 nan 8.310 nan 0.000 0.516 1005 A N 3.421 126.333 122.820 0.154 0.000 1.948 1005 A HA -0.154 4.182 4.320 0.027 0.000 0.220 1005 A C 1.992 179.604 177.584 0.047 0.000 1.177 1005 A CA 1.887 53.999 52.037 0.126 0.000 0.636 1005 A CB -0.626 18.429 19.000 0.092 0.000 0.815 1005 A HN 0.945 nan 8.150 nan 0.000 0.449 1006 E N -1.063 119.104 120.200 -0.054 0.000 2.418 1006 E HA -0.100 4.266 4.350 0.027 0.000 0.197 1006 E C 0.595 176.963 176.600 -0.386 0.000 1.026 1006 E CA 0.654 56.903 56.400 -0.251 0.000 0.862 1006 E CB -0.430 29.031 29.700 -0.399 0.000 0.799 1006 E HN 0.629 nan 8.360 nan 0.000 0.518 1007 F N 1.257 121.255 119.950 0.081 0.000 2.653 1007 F HA 0.289 4.831 4.527 0.026 0.000 0.304 1007 F C 0.743 176.578 175.800 0.059 0.000 1.092 1007 F CA -0.388 57.660 58.000 0.080 0.000 1.279 1007 F CB 0.409 39.456 39.000 0.080 0.000 1.044 1007 F HN -0.176 nan 8.300 nan 0.000 0.564 1008 Q N 0.984 120.887 119.800 0.172 0.000 2.235 1008 Q HA 0.398 4.754 4.340 0.027 0.000 0.250 1008 Q C -0.154 175.876 176.000 0.050 0.000 0.909 1008 Q CA -0.415 55.466 55.803 0.129 0.000 0.910 1008 Q CB 1.709 30.607 28.738 0.266 0.000 1.223 1008 Q HN 0.222 nan 8.270 nan 0.000 0.432 1009 L N 2.523 123.764 121.223 0.030 0.000 2.399 1009 L HA 0.110 4.466 4.340 0.027 0.000 0.257 1009 L C 0.577 177.416 176.870 -0.052 0.000 1.236 1009 L CA -0.057 54.789 54.840 0.011 0.000 1.144 1009 L CB -0.297 41.671 42.059 -0.153 0.000 1.379 1009 L HN 0.701 nan 8.230 nan 0.000 0.414 1010 S N -1.270 114.288 115.700 -0.237 0.000 2.554 1010 S HA 0.138 4.624 4.470 0.027 0.000 0.226 1010 S C 1.661 176.169 174.600 -0.153 0.000 0.980 1010 S CA 0.175 58.034 58.200 -0.568 0.000 0.939 1010 S CB 0.704 63.483 63.200 -0.702 0.000 0.832 1010 S HN 0.512 nan 8.310 nan 0.000 0.486 1011 A N 1.467 124.245 122.820 -0.071 0.000 2.121 1011 A HA 0.457 4.793 4.320 0.027 0.000 0.218 1011 A C 2.064 179.500 177.584 -0.247 0.000 1.154 1011 A CA 1.228 53.094 52.037 -0.286 0.000 0.679 1011 A CB -1.179 17.403 19.000 -0.697 0.000 0.795 1011 A HN 1.415 nan 8.150 nan 0.000 0.458 1012 G N -1.358 107.402 108.800 -0.067 0.000 2.812 1012 G HA2 -0.274 3.702 3.960 0.027 0.000 0.219 1012 G HA3 -0.274 3.702 3.960 0.027 0.000 0.219 1012 G C 0.425 175.320 174.900 -0.009 0.000 1.275 1012 G CA 0.303 45.405 45.100 0.003 0.000 0.769 1012 G HN 0.668 nan 8.290 nan 0.000 0.527 1013 R N -0.329 120.046 120.500 -0.210 0.000 2.513 1013 R HA 0.691 5.047 4.340 0.027 0.000 0.301 1013 R C -1.588 174.465 176.300 -0.411 0.000 0.968 1013 R CA -0.546 55.468 56.100 -0.143 0.000 0.872 1013 R CB 1.511 31.763 30.300 -0.079 0.000 1.177 1013 R HN 0.258 nan 8.270 nan 0.000 0.444 1014 Y N 0.494 120.790 120.300 -0.006 0.000 2.462 1014 Y HA 0.350 4.916 4.550 0.027 0.000 0.346 1014 Y C -0.395 175.657 175.900 0.254 0.000 0.976 1014 Y CA -0.781 57.286 58.100 -0.056 0.000 1.044 1014 Y CB 2.094 40.403 38.460 -0.252 0.000 1.230 1014 Y HN 0.579 nan 8.280 nan 0.000 0.455 1015 H N 2.626 121.969 119.070 0.455 0.000 2.717 1015 H HA 0.640 5.212 4.556 0.027 0.000 0.366 1015 H C -1.740 173.977 175.328 0.648 0.000 1.132 1015 H CA -0.835 55.470 56.048 0.428 0.000 1.180 1015 H CB 1.260 31.168 29.762 0.243 0.000 1.678 1015 H HN 0.532 nan 8.280 nan 0.000 0.537 1016 Y N 1.282 121.425 120.300 -0.262 0.000 2.638 1016 Y HA 0.385 4.952 4.550 0.027 0.000 0.335 1016 Y C -1.960 173.719 175.900 -0.369 0.000 1.155 1016 Y CA -1.183 56.799 58.100 -0.197 0.000 1.046 1016 Y CB 1.260 39.695 38.460 -0.042 0.000 1.303 1016 Y HN 0.771 nan 8.280 nan 0.000 0.460 1017 Q N 2.920 122.698 119.800 -0.036 0.000 2.289 1017 Q HA 0.732 5.088 4.340 0.027 0.000 0.270 1017 Q C -2.314 173.767 176.000 0.134 0.000 1.038 1017 Q CA -0.871 54.909 55.803 -0.038 0.000 0.812 1017 Q CB 2.748 31.479 28.738 -0.011 0.000 1.300 1017 Q HN 0.907 nan 8.270 nan 0.000 0.427 1018 L N 2.013 123.300 121.223 0.108 0.000 2.354 1018 L HA 0.743 5.100 4.340 0.027 0.000 0.269 1018 L C -0.721 176.264 176.870 0.192 0.000 1.005 1018 L CA -1.343 53.600 54.840 0.172 0.000 0.819 1018 L CB 2.315 44.455 42.059 0.135 0.000 1.311 1018 L HN 0.468 nan 8.230 nan 0.000 0.423 1019 V N 1.213 121.267 119.914 0.234 0.000 2.448 1019 V HA 0.403 4.539 4.120 0.027 0.000 0.295 1019 V C -1.139 175.139 176.094 0.307 0.000 1.025 1019 V CA -0.416 62.028 62.300 0.241 0.000 0.859 1019 V CB 2.088 34.027 31.823 0.192 0.000 0.988 1019 V HN 0.612 nan 8.190 nan 0.000 0.431 1020 W N 6.946 128.319 121.300 0.122 0.000 2.532 1020 W HA 0.707 5.383 4.660 0.027 0.000 0.321 1020 W C -0.291 176.238 176.519 0.018 0.000 1.037 1020 W CA -1.037 56.306 57.345 -0.004 0.000 1.220 1020 W CB 1.502 31.023 29.460 0.102 0.000 1.361 1020 W HN 0.877 nan 8.180 nan 0.000 0.468 1021 C N 3.503 123.057 119.300 0.424 0.000 3.335 1021 C HA 0.646 5.122 4.460 0.027 0.000 0.356 1021 C C -0.563 174.542 174.990 0.191 0.000 1.570 1021 C CA -0.796 58.395 59.018 0.289 0.000 1.271 1021 C CB 1.668 29.517 27.740 0.183 0.000 1.873 1021 C HN 0.679 nan 8.230 nan 0.000 0.439 1022 Q N 1.054 120.916 119.800 0.104 0.000 2.205 1022 Q HA 0.527 4.883 4.340 0.027 0.000 0.249 1022 Q C -0.680 175.316 176.000 -0.007 0.000 0.948 1022 Q CA -0.337 55.472 55.803 0.010 0.000 0.895 1022 Q CB 1.672 30.399 28.738 -0.018 0.000 1.249 1022 Q HN 0.732 nan 8.270 nan 0.000 0.458 1023 K N 0.000 120.372 120.400 -0.047 0.000 2.780 1023 K HA 0.000 4.336 4.320 0.027 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 -0.029 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543