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 1jyw_1_B 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 0.000 176.084 176.300 -0.360 0.000 0.893 13 R CA 0.000 55.964 56.100 -0.227 0.000 0.921 13 R CB 0.000 30.170 30.300 -0.217 0.000 0.687 14 R N 1.875 122.041 120.500 -0.558 0.000 3.158 14 R HA -0.171 4.183 4.340 0.024 0.000 0.244 14 R C -0.282 175.486 176.300 -0.886 0.000 0.900 14 R CA 0.933 56.289 56.100 -1.240 0.000 0.618 14 R CB -1.391 28.266 30.300 -1.071 0.000 1.061 14 R HN 0.239 nan 8.270 nan 0.000 0.471 15 D N 0.089 120.161 120.400 -0.547 0.000 2.263 15 D HA -0.156 4.499 4.640 0.024 0.000 0.208 15 D C 1.591 177.780 176.300 -0.185 0.000 0.971 15 D CA 1.547 55.302 54.000 -0.409 0.000 0.867 15 D CB -0.096 40.277 40.800 -0.712 0.000 0.929 15 D HN 0.738 nan 8.370 nan 0.000 0.492 16 W N 1.329 122.623 121.300 -0.010 0.000 3.377 16 W HA 0.228 4.901 4.660 0.023 0.000 0.277 16 W C 0.248 176.848 176.519 0.134 0.000 1.311 16 W CA -0.328 57.119 57.345 0.170 0.000 1.703 16 W CB -0.305 29.310 29.460 0.258 0.000 1.095 16 W HN -0.200 nan 8.180 nan 0.000 0.715 17 E N 1.265 121.331 120.200 -0.223 0.000 3.575 17 E HA 0.058 4.423 4.350 0.024 0.000 0.201 17 E C -0.765 175.675 176.600 -0.266 0.000 0.999 17 E CA -0.231 56.058 56.400 -0.185 0.000 1.315 17 E CB -0.155 29.410 29.700 -0.224 0.000 1.146 17 E HN 0.031 nan 8.360 nan 0.000 0.453 18 N N 1.026 119.610 118.700 -0.192 0.000 2.629 18 N HA 0.156 4.911 4.740 0.024 0.000 0.277 18 N C -2.490 172.890 175.510 -0.218 0.000 1.188 18 N CA -1.915 50.992 53.050 -0.239 0.000 0.835 18 N CB 1.445 39.798 38.487 -0.223 0.000 1.420 18 N HN -0.181 nan 8.380 nan 0.000 0.542 19 P HA 0.109 nan 4.420 nan 0.000 0.234 19 P C 1.105 178.189 177.300 -0.359 0.000 1.167 19 P CA 0.598 63.417 63.100 -0.468 0.000 0.763 19 P CB 0.156 31.148 31.700 -1.180 0.000 0.835 20 G N -0.726 107.895 108.800 -0.298 0.000 2.712 20 G HA2 0.040 4.014 3.960 0.024 0.000 0.212 20 G HA3 0.040 4.014 3.960 0.024 0.000 0.212 20 G C 0.214 175.036 174.900 -0.130 0.000 1.142 20 G CA 0.207 45.178 45.100 -0.215 0.000 0.789 20 G HN 0.203 nan 8.290 nan 0.000 0.535 21 V N 1.686 121.540 119.914 -0.101 0.000 2.325 21 V HA 0.284 4.418 4.120 0.024 0.000 0.280 21 V C 0.845 176.990 176.094 0.084 0.000 1.016 21 V CA 0.103 62.390 62.300 -0.022 0.000 0.818 21 V CB 1.252 33.038 31.823 -0.061 0.000 1.019 21 V HN 0.327 nan 8.190 nan 0.000 0.434 22 T N 0.747 115.350 114.554 0.082 0.000 3.054 22 T HA 0.384 4.748 4.350 0.024 0.000 0.255 22 T C 0.228 174.994 174.700 0.111 0.000 1.035 22 T CA 0.040 62.203 62.100 0.105 0.000 0.941 22 T CB 0.271 69.151 68.868 0.020 0.000 1.026 22 T HN 0.692 nan 8.240 nan 0.000 0.533 23 Q N 0.174 120.084 119.800 0.183 0.000 2.776 23 Q HA 0.669 5.023 4.340 0.024 0.000 0.289 23 Q C -2.290 173.849 176.000 0.233 0.000 0.912 23 Q CA -1.068 54.834 55.803 0.165 0.000 0.789 23 Q CB 0.764 29.513 28.738 0.019 0.000 1.498 23 Q HN 0.214 nan 8.270 nan 0.000 0.408 24 L N 1.505 122.887 121.223 0.265 0.000 2.505 24 L HA 0.606 4.960 4.340 0.024 0.000 0.266 24 L C -0.627 176.367 176.870 0.207 0.000 0.954 24 L CA -0.884 54.113 54.840 0.262 0.000 0.852 24 L CB 1.992 44.321 42.059 0.451 0.000 1.282 24 L HN 0.848 nan 8.230 nan 0.000 0.403 25 N N 0.752 119.545 118.700 0.156 0.000 2.800 25 N HA -0.206 4.548 4.740 0.024 0.000 0.250 25 N C 0.187 175.788 175.510 0.152 0.000 1.078 25 N CA 0.863 53.995 53.050 0.136 0.000 0.804 25 N CB -0.752 37.766 38.487 0.052 0.000 1.135 25 N HN 0.666 nan 8.380 nan 0.000 0.565 26 R N 0.906 121.420 120.500 0.023 0.000 2.441 26 R HA 0.412 4.766 4.340 0.024 0.000 0.284 26 R C 0.522 176.701 176.300 -0.200 0.000 1.070 26 R CA -0.350 55.557 56.100 -0.322 0.000 1.047 26 R CB 0.560 30.662 30.300 -0.330 0.000 1.016 26 R HN 0.116 nan 8.270 nan 0.000 0.477 27 L N 2.743 123.822 121.223 -0.241 0.000 2.466 27 L HA 0.333 4.687 4.340 0.024 0.000 0.257 27 L C 0.630 177.454 176.870 -0.076 0.000 1.189 27 L CA -0.611 54.172 54.840 -0.095 0.000 0.813 27 L CB 0.836 42.865 42.059 -0.050 0.000 1.118 27 L HN 0.771 nan 8.230 nan 0.000 0.471 28 A N 1.112 123.925 122.820 -0.011 0.000 2.466 28 A HA 0.485 4.819 4.320 0.024 0.000 0.238 28 A C 0.237 177.827 177.584 0.010 0.000 1.074 28 A CA 0.019 52.057 52.037 0.001 0.000 0.774 28 A CB 0.140 19.167 19.000 0.046 0.000 1.015 28 A HN 0.775 nan 8.150 nan 0.000 0.498 29 A N 1.313 124.091 122.820 -0.070 0.000 2.351 29 A HA 0.696 5.030 4.320 0.024 0.000 0.257 29 A C 0.063 177.549 177.584 -0.162 0.000 1.087 29 A CA 0.391 52.308 52.037 -0.200 0.000 0.798 29 A CB -0.028 18.853 19.000 -0.199 0.000 1.033 29 A HN 1.868 nan 8.150 nan 0.000 0.488 30 H N -1.916 117.006 119.070 -0.246 0.000 2.917 30 H HA 0.648 5.218 4.556 0.023 0.000 0.299 30 H C -3.415 171.626 175.328 -0.479 0.000 1.418 30 H CA -1.816 54.024 56.048 -0.347 0.000 1.138 30 H CB 0.081 29.547 29.762 -0.493 0.000 1.830 30 H HN 0.378 nan 8.280 nan 0.000 0.514 31 P HA 0.233 nan 4.420 nan 0.000 0.274 31 P C -2.604 174.515 177.300 -0.302 0.000 1.256 31 P CA -1.474 61.413 63.100 -0.354 0.000 0.795 31 P CB -0.219 31.197 31.700 -0.472 0.000 1.038 32 P HA 0.064 nan 4.420 nan 0.000 0.263 32 P C -0.807 176.673 177.300 0.300 0.000 1.195 32 P CA 1.078 64.207 63.100 0.047 0.000 0.762 32 P CB -0.082 31.692 31.700 0.123 0.000 0.799 33 F N 1.241 121.290 119.950 0.166 0.000 2.579 33 F HA 0.614 5.155 4.527 0.023 0.000 0.324 33 F C 0.923 176.655 175.800 -0.113 0.000 1.058 33 F CA -1.052 56.988 58.000 0.066 0.000 0.944 33 F CB 2.228 41.221 39.000 -0.012 0.000 1.245 33 F HN 0.204 nan 8.300 nan 0.000 0.477 34 A N 0.336 123.084 122.820 -0.120 0.000 2.606 34 A HA 0.248 4.582 4.320 0.024 0.000 0.230 34 A C 0.595 177.880 177.584 -0.497 0.000 1.279 34 A CA 0.346 52.068 52.037 -0.525 0.000 1.010 34 A CB -0.081 18.111 19.000 -1.346 0.000 1.271 34 A HN 0.739 nan 8.150 nan 0.000 0.584 35 S N 0.618 116.145 115.700 -0.288 0.000 3.477 35 S HA -0.151 4.334 4.470 0.024 0.000 0.371 35 S C 0.067 174.597 174.600 -0.117 0.000 0.965 35 S CA 0.438 58.524 58.200 -0.190 0.000 1.239 35 S CB -1.514 61.573 63.200 -0.187 0.000 0.918 35 S HN 0.472 nan 8.310 nan 0.000 0.498 36 W N 1.521 122.805 121.300 -0.026 0.000 2.137 36 W HA 0.228 4.902 4.660 0.023 0.000 0.344 36 W C 1.366 177.866 176.519 -0.032 0.000 1.286 36 W CA -0.525 56.810 57.345 -0.017 0.000 1.240 36 W CB 0.215 29.665 29.460 -0.017 0.000 1.141 36 W HN 0.321 nan 8.180 nan 0.000 0.579 37 R N 1.752 122.383 120.500 0.219 0.000 2.577 37 R HA 0.092 4.446 4.340 0.024 0.000 0.344 37 R C -0.107 176.250 176.300 0.095 0.000 1.037 37 R CA -0.132 56.036 56.100 0.114 0.000 1.102 37 R CB -0.167 30.169 30.300 0.061 0.000 1.313 37 R HN 0.366 nan 8.270 nan 0.000 0.561 38 N N 0.128 118.896 118.700 0.113 0.000 2.430 38 N HA 0.115 4.869 4.740 0.024 0.000 0.290 38 N C -0.093 175.385 175.510 -0.054 0.000 1.063 38 N CA -0.006 53.059 53.050 0.025 0.000 0.883 38 N CB 1.825 40.326 38.487 0.022 0.000 1.465 38 N HN -0.244 nan 8.380 nan 0.000 0.493 39 S N 2.361 118.009 115.700 -0.086 0.000 2.399 39 S HA -0.162 4.322 4.470 0.024 0.000 0.231 39 S C 1.415 175.840 174.600 -0.292 0.000 1.022 39 S CA 1.097 59.201 58.200 -0.159 0.000 0.983 39 S CB -0.003 63.132 63.200 -0.109 0.000 0.803 39 S HN 0.757 nan 8.310 nan 0.000 0.480 40 E N 1.653 121.694 120.200 -0.266 0.000 2.150 40 E HA -0.133 4.232 4.350 0.024 0.000 0.193 40 E C 1.864 178.232 176.600 -0.386 0.000 0.985 40 E CA 1.081 57.280 56.400 -0.334 0.000 0.814 40 E CB -0.133 29.425 29.700 -0.237 0.000 0.752 40 E HN 0.309 nan 8.360 nan 0.000 0.466 41 E N 0.021 120.002 120.200 -0.364 0.000 2.106 41 E HA -0.105 4.259 4.350 0.024 0.000 0.192 41 E C 1.969 177.939 176.600 -1.050 0.000 0.984 41 E CA 0.999 57.137 56.400 -0.436 0.000 0.806 41 E CB -0.325 29.256 29.700 -0.197 0.000 0.750 41 E HN 0.389 nan 8.360 nan 0.000 0.458 42 A N 1.589 123.597 122.820 -1.352 0.000 1.902 42 A HA -0.188 4.147 4.320 0.024 0.000 0.217 42 A C 2.226 179.205 177.584 -1.008 0.000 1.181 42 A CA 1.573 52.487 52.037 -1.872 0.000 0.623 42 A CB -0.486 17.986 19.000 -0.880 0.000 0.818 42 A HN 0.116 nan 8.150 nan 0.000 0.443 43 R N -0.194 119.908 120.500 -0.663 0.000 2.091 43 R HA -0.137 4.217 4.340 0.024 0.000 0.238 43 R C 1.954 178.003 176.300 -0.418 0.000 1.136 43 R CA 2.088 57.864 56.100 -0.540 0.000 0.959 43 R CB -0.453 29.404 30.300 -0.739 0.000 0.856 43 R HN 0.630 nan 8.270 nan 0.000 0.437 44 T N -2.624 111.688 114.554 -0.404 0.000 3.129 44 T HA 0.039 4.403 4.350 0.024 0.000 0.251 44 T C 0.278 174.886 174.700 -0.153 0.000 1.117 44 T CA 0.506 62.462 62.100 -0.240 0.000 1.034 44 T CB 0.065 68.817 68.868 -0.192 0.000 0.968 44 T HN 0.347 nan 8.240 nan 0.000 0.526 45 D N 0.808 121.072 120.400 -0.228 0.000 2.870 45 D HA -0.157 4.497 4.640 0.024 0.000 0.228 45 D C 0.038 176.468 176.300 0.217 0.000 1.147 45 D CA 0.449 54.477 54.000 0.046 0.000 0.757 45 D CB -1.132 39.737 40.800 0.116 0.000 1.091 45 D HN 0.592 nan 8.370 nan 0.000 0.429 46 R N 0.018 120.615 120.500 0.161 0.000 2.577 46 R HA 0.490 4.844 4.340 0.024 0.000 0.269 46 R C -2.115 174.445 176.300 0.433 0.000 1.084 46 R CA -1.426 54.815 56.100 0.234 0.000 1.163 46 R CB 0.257 30.634 30.300 0.128 0.000 1.100 46 R HN 0.047 nan 8.270 nan 0.000 0.547 47 P HA -0.057 nan 4.420 nan 0.000 0.265 47 P C -0.795 176.649 177.300 0.240 0.000 1.193 47 P CA 0.334 63.566 63.100 0.219 0.000 0.765 47 P CB 0.757 32.541 31.700 0.141 0.000 0.823 48 S N 1.895 117.638 115.700 0.072 0.000 2.475 48 S HA 0.135 4.619 4.470 0.024 0.000 0.298 48 S C 1.016 175.633 174.600 0.029 0.000 1.119 48 S CA -0.579 57.602 58.200 -0.031 0.000 1.085 48 S CB 0.549 63.418 63.200 -0.550 0.000 1.028 48 S HN 0.213 nan 8.310 nan 0.000 0.489 49 Q N 2.707 122.558 119.800 0.085 0.000 2.364 49 Q HA -0.025 4.329 4.340 0.024 0.000 0.207 49 Q C 0.857 176.968 176.000 0.185 0.000 0.970 49 Q CA 1.112 56.996 55.803 0.134 0.000 0.888 49 Q CB -0.215 28.604 28.738 0.134 0.000 0.951 49 Q HN 0.689 nan 8.270 nan 0.000 0.469 50 Q N -0.196 119.631 119.800 0.046 0.000 2.320 50 Q HA 0.164 4.519 4.340 0.024 0.000 0.201 50 Q C -0.383 175.664 176.000 0.078 0.000 0.910 50 Q CA 0.067 55.852 55.803 -0.031 0.000 0.946 50 Q CB 0.428 29.055 28.738 -0.185 0.000 1.062 50 Q HN 0.051 nan 8.270 nan 0.000 0.503 51 L N 0.675 121.960 121.223 0.103 0.000 2.377 51 L HA 0.454 4.808 4.340 0.024 0.000 0.270 51 L C -1.210 175.747 176.870 0.145 0.000 0.991 51 L CA -0.434 54.467 54.840 0.102 0.000 0.851 51 L CB 1.061 43.092 42.059 -0.046 0.000 1.218 51 L HN -0.095 nan 8.230 nan 0.000 0.420 52 R N 2.512 123.130 120.500 0.197 0.000 2.532 52 R HA 0.596 4.950 4.340 0.024 0.000 0.295 52 R C -0.485 175.833 176.300 0.030 0.000 0.968 52 R CA -0.729 55.428 56.100 0.095 0.000 0.916 52 R CB 1.972 32.286 30.300 0.022 0.000 1.124 52 R HN 0.651 nan 8.270 nan 0.000 0.463 53 S N 2.119 117.827 115.700 0.014 0.000 2.537 53 S HA 0.251 4.735 4.470 0.024 0.000 0.275 53 S C 0.676 175.267 174.600 -0.015 0.000 1.272 53 S CA -0.649 57.550 58.200 -0.002 0.000 1.050 53 S CB 0.495 63.705 63.200 0.017 0.000 0.961 53 S HN 0.555 nan 8.310 nan 0.000 0.496 54 L N 3.657 124.867 121.223 -0.022 0.000 2.700 54 L HA 0.287 4.641 4.340 0.024 0.000 0.234 54 L C 0.212 177.219 176.870 0.228 0.000 1.156 54 L CA -0.369 54.482 54.840 0.017 0.000 0.946 54 L CB -0.382 41.631 42.059 -0.076 0.000 1.216 54 L HN 0.509 nan 8.230 nan 0.000 0.493 55 N N 1.214 119.991 118.700 0.129 0.000 2.453 55 N HA 0.478 5.233 4.740 0.024 0.000 0.253 55 N C 0.647 176.271 175.510 0.191 0.000 1.252 55 N CA 0.991 54.120 53.050 0.132 0.000 0.917 55 N CB 1.297 39.804 38.487 0.034 0.000 1.117 55 N HN 0.293 nan 8.380 nan 0.000 0.442 56 G N 0.498 109.430 108.800 0.221 0.000 2.292 56 G HA2 -0.076 3.898 3.960 0.024 0.000 0.194 56 G HA3 -0.076 3.898 3.960 0.024 0.000 0.194 56 G C -1.523 173.574 174.900 0.328 0.000 1.329 56 G CA -0.787 44.439 45.100 0.211 0.000 1.100 56 G HN 0.470 nan 8.290 nan 0.000 0.470 57 E N 0.157 120.527 120.200 0.283 0.000 2.194 57 E HA 0.468 4.832 4.350 0.024 0.000 0.284 57 E C -0.947 175.897 176.600 0.406 0.000 1.035 57 E CA -0.206 56.376 56.400 0.303 0.000 0.836 57 E CB 1.018 30.818 29.700 0.167 0.000 1.070 57 E HN 0.356 nan 8.360 nan 0.000 0.401 58 W N 1.724 123.115 121.300 0.151 0.000 2.804 58 W HA 0.420 5.094 4.660 0.024 0.000 0.352 58 W C 0.206 176.856 176.519 0.218 0.000 1.153 58 W CA -0.719 56.747 57.345 0.202 0.000 1.119 58 W CB 0.761 30.399 29.460 0.297 0.000 1.448 58 W HN 0.187 nan 8.180 nan 0.000 0.600 59 R N 1.276 122.063 120.500 0.479 0.000 2.540 59 R HA 0.607 4.961 4.340 0.024 0.000 0.287 59 R C -1.498 175.065 176.300 0.439 0.000 0.980 59 R CA -0.927 55.391 56.100 0.364 0.000 0.966 59 R CB 1.335 31.790 30.300 0.258 0.000 1.106 59 R HN 0.488 nan 8.270 nan 0.000 0.480 60 F N 0.187 120.190 119.950 0.088 0.000 2.608 60 F HA 0.633 5.174 4.527 0.023 0.000 0.309 60 F C -1.559 174.095 175.800 -0.243 0.000 1.103 60 F CA -0.582 57.330 58.000 -0.148 0.000 0.954 60 F CB 2.017 40.825 39.000 -0.321 0.000 1.267 60 F HN 0.611 nan 8.300 nan 0.000 0.444 61 A N 4.306 126.396 122.820 -1.216 0.000 2.422 61 A HA 0.566 4.900 4.320 0.024 0.000 0.302 61 A C -2.379 174.192 177.584 -1.690 0.000 1.041 61 A CA -0.523 50.840 52.037 -1.124 0.000 0.708 61 A CB 0.740 19.355 19.000 -0.641 0.000 1.257 61 A HN 0.941 nan 8.150 nan 0.000 0.414 62 W N 2.727 123.130 121.300 -1.495 0.000 2.417 62 W HA 0.729 5.403 4.660 0.023 0.000 0.317 62 W C -1.697 174.096 176.519 -1.211 0.000 1.121 62 W CA -0.244 56.373 57.345 -1.213 0.000 1.208 62 W CB 0.899 29.965 29.460 -0.657 0.000 1.253 62 W HN 0.496 nan 8.180 nan 0.000 0.533 63 F N 6.153 125.436 119.950 -1.111 0.000 2.577 63 F HA 0.381 4.922 4.527 0.023 0.000 0.318 63 F C -1.254 173.679 175.800 -1.444 0.000 1.065 63 F CA -2.196 55.266 58.000 -0.896 0.000 0.929 63 F CB 1.958 40.576 39.000 -0.638 0.000 1.237 63 F HN 0.215 nan 8.300 nan 0.000 0.468 64 P HA 0.158 nan 4.420 nan 0.000 0.236 64 P C -0.503 176.659 177.300 -0.230 0.000 1.177 64 P CA 0.696 63.503 63.100 -0.489 0.000 0.773 64 P CB 0.706 32.409 31.700 0.004 0.000 0.878 65 A N -0.170 122.527 122.820 -0.206 0.000 2.599 65 A HA 0.488 4.822 4.320 0.024 0.000 0.294 65 A C -2.473 175.011 177.584 -0.166 0.000 1.055 65 A CA -0.908 51.061 52.037 -0.112 0.000 0.683 65 A CB 0.434 19.433 19.000 -0.001 0.000 1.278 65 A HN -0.295 nan 8.150 nan 0.000 0.412 66 P HA -0.113 nan 4.420 nan 0.000 0.220 66 P C 0.721 177.934 177.300 -0.146 0.000 1.148 66 P CA 1.439 64.414 63.100 -0.208 0.000 0.803 66 P CB 0.265 31.815 31.700 -0.250 0.000 0.782 67 E N 0.120 120.292 120.200 -0.048 0.000 2.333 67 E HA -0.049 4.315 4.350 0.024 0.000 0.198 67 E C 1.962 178.490 176.600 -0.121 0.000 1.007 67 E CA 1.123 57.499 56.400 -0.040 0.000 0.845 67 E CB -0.809 28.901 29.700 0.017 0.000 0.766 67 E HN 0.254 nan 8.360 nan 0.000 0.507 68 A N 0.226 122.935 122.820 -0.184 0.000 2.275 68 A HA 0.120 4.454 4.320 0.024 0.000 0.212 68 A C 0.615 177.868 177.584 -0.552 0.000 1.201 68 A CA -0.187 51.719 52.037 -0.217 0.000 0.843 68 A CB 0.342 19.298 19.000 -0.072 0.000 0.873 68 A HN 0.030 nan 8.150 nan 0.000 0.492 69 V N 2.605 122.104 119.914 -0.691 0.000 2.470 69 V HA 0.181 4.316 4.120 0.024 0.000 0.276 69 V C -2.249 173.492 176.094 -0.588 0.000 1.040 69 V CA -1.330 60.338 62.300 -1.054 0.000 1.008 69 V CB 0.691 31.993 31.823 -0.868 0.000 0.990 69 V HN 0.263 nan 8.190 nan 0.000 0.477 70 P HA 0.201 nan 4.420 nan 0.000 0.271 70 P C 0.413 177.644 177.300 -0.116 0.000 1.216 70 P CA -0.258 62.714 63.100 -0.214 0.000 0.771 70 P CB 0.868 32.501 31.700 -0.113 0.000 0.864 71 E N 1.039 121.186 120.200 -0.089 0.000 2.204 71 E HA -0.160 4.204 4.350 0.024 0.000 0.195 71 E C 1.830 178.395 176.600 -0.059 0.000 0.990 71 E CA 1.516 57.871 56.400 -0.076 0.000 0.821 71 E CB -0.591 29.067 29.700 -0.070 0.000 0.750 71 E HN 0.519 nan 8.360 nan 0.000 0.477 72 S N -0.518 115.166 115.700 -0.027 0.000 2.400 72 S HA -0.231 4.253 4.470 0.024 0.000 0.232 72 S C 1.878 176.475 174.600 -0.005 0.000 1.025 72 S CA 0.919 59.109 58.200 -0.016 0.000 0.993 72 S CB -0.873 62.331 63.200 0.007 0.000 0.808 72 S HN 0.569 nan 8.310 nan 0.000 0.478 73 W N 2.401 123.601 121.300 -0.167 0.000 2.331 73 W HA -0.052 4.622 4.660 0.023 0.000 0.291 73 W C 1.640 178.041 176.519 -0.196 0.000 1.214 73 W CA 1.225 58.470 57.345 -0.168 0.000 1.228 73 W CB -0.350 28.991 29.460 -0.198 0.000 1.135 73 W HN 0.282 nan 8.180 nan 0.000 0.537 74 L N 0.181 121.152 121.223 -0.421 0.000 2.131 74 L HA -0.169 4.185 4.340 0.024 0.000 0.210 74 L C 2.474 179.095 176.870 -0.415 0.000 1.092 74 L CA 1.256 55.710 54.840 -0.644 0.000 0.759 74 L CB -0.705 41.011 42.059 -0.572 0.000 0.903 74 L HN -0.039 nan 8.230 nan 0.000 0.435 75 E N -0.885 119.160 120.200 -0.260 0.000 2.201 75 E HA 0.034 4.398 4.350 0.024 0.000 0.193 75 E C 0.511 177.027 176.600 -0.140 0.000 0.957 75 E CA 0.666 56.973 56.400 -0.156 0.000 0.858 75 E CB 0.625 30.267 29.700 -0.095 0.000 0.816 75 E HN 0.514 nan 8.360 nan 0.000 0.475 76 C N -0.390 118.829 119.300 -0.136 0.000 3.288 76 C HA 0.497 4.972 4.460 0.024 0.000 0.318 76 C C -0.424 174.539 174.990 -0.046 0.000 1.356 76 C CA -1.442 57.523 59.018 -0.089 0.000 1.359 76 C CB 1.023 28.735 27.740 -0.046 0.000 1.688 76 C HN 0.124 nan 8.230 nan 0.000 0.467 77 D N 0.872 121.265 120.400 -0.012 0.000 2.533 77 D HA 0.273 4.928 4.640 0.024 0.000 0.236 77 D C -0.177 176.188 176.300 0.108 0.000 1.137 77 D CA 0.491 54.527 54.000 0.060 0.000 0.867 77 D CB 0.458 41.289 40.800 0.052 0.000 1.170 77 D HN 0.585 nan 8.370 nan 0.000 0.474 78 L N 6.386 127.725 121.223 0.193 0.000 2.319 78 L HA 0.243 4.597 4.340 0.024 0.000 0.280 78 L C -1.087 175.847 176.870 0.106 0.000 1.099 78 L CA -1.498 53.439 54.840 0.163 0.000 0.828 78 L CB 1.210 43.390 42.059 0.201 0.000 1.150 78 L HN 0.521 nan 8.230 nan 0.000 0.442 79 P HA -0.171 nan 4.420 nan 0.000 0.218 79 P C 0.694 178.026 177.300 0.053 0.000 1.148 79 P CA 1.185 64.320 63.100 0.058 0.000 0.822 79 P CB 0.254 31.981 31.700 0.045 0.000 0.784 80 E N -0.030 120.200 120.200 0.050 0.000 2.478 80 E HA 0.133 4.497 4.350 0.024 0.000 0.198 80 E C 1.123 177.736 176.600 0.023 0.000 1.046 80 E CA 0.195 56.613 56.400 0.029 0.000 0.870 80 E CB -0.794 28.912 29.700 0.009 0.000 0.818 80 E HN 0.258 nan 8.360 nan 0.000 0.527 81 A N 1.258 124.103 122.820 0.041 0.000 2.448 81 A HA 0.131 4.465 4.320 0.024 0.000 0.239 81 A C 0.003 177.640 177.584 0.088 0.000 1.080 81 A CA -0.248 51.814 52.037 0.040 0.000 0.779 81 A CB 0.320 19.372 19.000 0.086 0.000 1.026 81 A HN -0.047 nan 8.150 nan 0.000 0.499 82 D N -0.188 120.295 120.400 0.138 0.000 2.326 82 D HA 0.502 5.156 4.640 0.024 0.000 0.251 82 D C -0.501 175.917 176.300 0.197 0.000 1.023 82 D CA 0.066 54.172 54.000 0.177 0.000 0.966 82 D CB 1.269 42.228 40.800 0.264 0.000 1.156 82 D HN 0.395 nan 8.370 nan 0.000 0.494 83 T N 0.522 115.174 114.554 0.163 0.000 2.744 83 T HA 0.504 4.868 4.350 0.024 0.000 0.291 83 T C 0.105 174.900 174.700 0.159 0.000 0.957 83 T CA -0.567 61.636 62.100 0.172 0.000 1.002 83 T CB 0.662 69.605 68.868 0.125 0.000 0.919 83 T HN 0.267 nan 8.240 nan 0.000 0.468 84 V N 1.275 121.314 119.914 0.209 0.000 3.102 84 V HA 0.802 4.936 4.120 0.024 0.000 0.312 84 V C -0.313 175.903 176.094 0.203 0.000 1.135 84 V CA -1.048 61.334 62.300 0.136 0.000 1.022 84 V CB 1.661 33.585 31.823 0.168 0.000 1.056 84 V HN 0.517 nan 8.190 nan 0.000 0.436 85 V N 1.985 121.992 119.914 0.155 0.000 2.649 85 V HA 0.536 4.670 4.120 0.024 0.000 0.292 85 V C 0.030 176.216 176.094 0.153 0.000 1.055 85 V CA -0.072 62.323 62.300 0.159 0.000 1.023 85 V CB 1.425 33.312 31.823 0.108 0.000 0.992 85 V HN 0.765 nan 8.190 nan 0.000 0.480 86 V N 6.469 126.392 119.914 0.015 0.000 2.638 86 V HA 0.445 4.579 4.120 0.024 0.000 0.306 86 V C -2.306 173.680 176.094 -0.180 0.000 1.052 86 V CA -1.688 60.480 62.300 -0.220 0.000 0.885 86 V CB 2.527 33.870 31.823 -0.801 0.000 0.999 86 V HN 0.765 nan 8.190 nan 0.000 0.424 87 P HA 0.382 nan 4.420 nan 0.000 0.274 87 P C -0.747 176.489 177.300 -0.108 0.000 1.231 87 P CA 0.018 63.002 63.100 -0.193 0.000 0.790 87 P CB 1.215 32.811 31.700 -0.174 0.000 0.951 88 S N 0.518 116.162 115.700 -0.094 0.000 2.615 88 S HA 0.421 4.905 4.470 0.024 0.000 0.268 88 S C -1.246 173.289 174.600 -0.108 0.000 1.146 88 S CA -1.046 57.087 58.200 -0.112 0.000 0.818 88 S CB 0.562 63.649 63.200 -0.189 0.000 1.111 88 S HN 0.360 nan 8.310 nan 0.000 0.465 89 N N 0.935 119.504 118.700 -0.217 0.000 2.408 89 N HA 0.442 5.196 4.740 0.024 0.000 0.280 89 N C 0.376 175.704 175.510 -0.303 0.000 1.002 89 N CA -0.870 52.021 53.050 -0.266 0.000 0.907 89 N CB 0.744 39.039 38.487 -0.319 0.000 1.161 89 N HN 0.870 nan 8.380 nan 0.000 0.488 90 W N 2.229 123.390 121.300 -0.232 0.000 2.525 90 W HA -0.022 4.652 4.660 0.024 0.000 0.259 90 W C 0.869 177.348 176.519 -0.068 0.000 1.253 90 W CA 0.510 57.705 57.345 -0.251 0.000 1.262 90 W CB -0.296 29.004 29.460 -0.267 0.000 1.122 90 W HN 0.495 nan 8.180 nan 0.000 0.607 91 Q N 0.613 120.362 119.800 -0.084 0.000 2.224 91 Q HA -0.081 4.273 4.340 0.024 0.000 0.203 91 Q C 2.134 178.075 176.000 -0.099 0.000 0.970 91 Q CA 1.619 57.386 55.803 -0.060 0.000 0.865 91 Q CB -0.527 28.058 28.738 -0.256 0.000 0.922 91 Q HN 0.292 nan 8.270 nan 0.000 0.445 92 M N -0.807 118.692 119.600 -0.168 0.000 2.619 92 M HA -0.022 4.472 4.480 0.024 0.000 0.251 92 M C 0.597 176.946 176.300 0.082 0.000 1.106 92 M CA 1.247 56.476 55.300 -0.117 0.000 1.086 92 M CB -0.508 32.005 32.600 -0.145 0.000 1.465 92 M HN 0.381 nan 8.290 nan 0.000 0.506 93 H N -0.700 118.387 119.070 0.028 0.000 2.586 93 H HA 0.276 4.846 4.556 0.024 0.000 0.273 93 H C 1.275 176.486 175.328 -0.195 0.000 0.997 93 H CA 0.110 56.156 56.048 -0.005 0.000 1.177 93 H CB 0.472 30.333 29.762 0.164 0.000 1.471 93 H HN 0.557 nan 8.280 nan 0.000 0.538 94 G N 0.672 109.466 108.800 -0.011 0.000 2.143 94 G HA2 -0.365 3.609 3.960 0.024 0.000 0.249 94 G HA3 -0.365 3.609 3.960 0.024 0.000 0.249 94 G C 0.377 175.148 174.900 -0.214 0.000 0.981 94 G CA 0.366 45.396 45.100 -0.117 0.000 0.665 94 G HN 0.479 nan 8.290 nan 0.000 0.528 95 Y N 1.502 121.808 120.300 0.009 0.000 2.293 95 Y HA 0.247 4.811 4.550 0.024 0.000 0.291 95 Y C 1.654 177.304 175.900 -0.416 0.000 1.137 95 Y CA 1.583 59.567 58.100 -0.192 0.000 1.202 95 Y CB 0.172 38.578 38.460 -0.090 0.000 0.990 95 Y HN 0.660 nan 8.280 nan 0.000 0.537 96 D N -1.987 118.460 120.400 0.079 0.000 2.665 96 D HA 0.484 5.138 4.640 0.024 0.000 0.287 96 D C -1.257 175.113 176.300 0.117 0.000 1.266 96 D CA -0.851 53.193 54.000 0.073 0.000 0.830 96 D CB 0.766 41.723 40.800 0.261 0.000 1.356 96 D HN -0.042 nan 8.370 nan 0.000 0.437 97 A N 0.322 123.220 122.820 0.129 0.000 2.331 97 A HA 0.684 5.018 4.320 0.024 0.000 0.283 97 A C -2.282 175.329 177.584 0.044 0.000 1.142 97 A CA -1.165 50.931 52.037 0.099 0.000 0.812 97 A CB 0.076 19.206 19.000 0.217 0.000 1.074 97 A HN 0.545 nan 8.150 nan 0.000 0.497 98 P HA 0.398 nan 4.420 nan 0.000 0.275 98 P C -0.873 176.600 177.300 0.289 0.000 1.228 98 P CA 0.108 63.154 63.100 -0.089 0.000 0.786 98 P CB 0.786 32.184 31.700 -0.505 0.000 0.927 99 I N 2.464 123.293 120.570 0.432 0.000 2.433 99 I HA 0.260 4.444 4.170 0.024 0.000 0.292 99 I C -0.488 175.782 176.117 0.255 0.000 1.001 99 I CA -0.985 60.554 61.300 0.398 0.000 1.119 99 I CB 1.573 39.740 38.000 0.279 0.000 1.289 99 I HN 0.292 nan 8.210 nan 0.000 0.438 100 Y N 6.027 126.211 120.300 -0.194 0.000 2.478 100 Y HA 0.509 5.073 4.550 0.023 0.000 0.329 100 Y C -0.359 175.358 175.900 -0.306 0.000 0.967 100 Y CA -0.576 57.118 58.100 -0.676 0.000 1.255 100 Y CB 1.156 38.713 38.460 -1.505 0.000 1.103 100 Y HN 0.538 nan 8.280 nan 0.000 0.497 101 T N 5.261 119.289 114.554 -0.876 0.000 2.876 101 T HA 0.261 4.625 4.350 0.024 0.000 0.289 101 T C 0.231 174.450 174.700 -0.800 0.000 1.014 101 T CA -0.572 61.070 62.100 -0.763 0.000 0.986 101 T CB 1.071 69.721 68.868 -0.364 0.000 1.021 101 T HN 0.769 nan 8.240 nan 0.000 0.458 102 N N 2.923 121.193 118.700 -0.716 0.000 2.272 102 N HA 0.052 4.806 4.740 0.024 0.000 0.195 102 N C 1.517 176.752 175.510 -0.457 0.000 1.048 102 N CA 1.480 54.240 53.050 -0.484 0.000 0.912 102 N CB -0.577 37.650 38.487 -0.433 0.000 1.096 102 N HN 0.394 nan 8.380 nan 0.000 0.471 103 V N 0.279 119.863 119.914 -0.551 0.000 2.581 103 V HA 0.130 4.264 4.120 0.024 0.000 0.240 103 V C 0.352 176.141 176.094 -0.509 0.000 1.054 103 V CA 0.749 62.645 62.300 -0.673 0.000 1.076 103 V CB -0.586 30.747 31.823 -0.817 0.000 0.748 103 V HN 0.312 nan 8.190 nan 0.000 0.474 104 T N 1.246 115.570 114.554 -0.384 0.000 2.871 104 T HA 0.093 4.457 4.350 0.024 0.000 0.296 104 T C -0.322 174.253 174.700 -0.209 0.000 0.998 104 T CA 0.361 62.316 62.100 -0.242 0.000 1.162 104 T CB -0.272 68.480 68.868 -0.193 0.000 0.947 104 T HN 0.178 nan 8.240 nan 0.000 0.536 105 Y N 4.891 125.094 120.300 -0.161 0.000 2.550 105 Y HA 0.118 4.682 4.550 0.023 0.000 0.343 105 Y C -0.733 175.044 175.900 -0.206 0.000 1.245 105 Y CA -1.562 56.434 58.100 -0.173 0.000 1.462 105 Y CB 0.472 38.829 38.460 -0.173 0.000 1.340 105 Y HN 0.508 nan 8.280 nan 0.000 0.604 106 P HA 0.028 nan 4.420 nan 0.000 0.249 106 P C -0.420 176.655 177.300 -0.374 0.000 1.229 106 P CA 1.010 64.010 63.100 -0.167 0.000 0.788 106 P CB 0.061 31.721 31.700 -0.066 0.000 1.072 107 I N -5.126 115.195 120.570 -0.415 0.000 3.042 107 I HA 0.497 4.681 4.170 0.024 0.000 0.310 107 I C -0.554 175.428 176.117 -0.226 0.000 1.117 107 I CA -1.221 59.806 61.300 -0.454 0.000 1.003 107 I CB 1.796 39.374 38.000 -0.703 0.000 1.228 107 I HN -0.456 nan 8.210 nan 0.000 0.443 108 T N 2.683 117.151 114.554 -0.144 0.000 2.940 108 T HA 0.153 4.517 4.350 0.024 0.000 0.309 108 T C 0.182 174.864 174.700 -0.031 0.000 1.056 108 T CA -0.196 61.869 62.100 -0.059 0.000 1.137 108 T CB 0.738 69.593 68.868 -0.022 0.000 0.976 108 T HN 0.383 nan 8.240 nan 0.000 0.547 109 V N 4.611 124.521 119.914 -0.007 0.000 2.370 109 V HA 0.257 4.391 4.120 0.024 0.000 0.257 109 V C 0.645 176.772 176.094 0.056 0.000 1.064 109 V CA -0.246 62.067 62.300 0.020 0.000 0.975 109 V CB -0.088 31.726 31.823 -0.015 0.000 1.067 109 V HN 0.873 nan 8.190 nan 0.000 0.485 110 N N 5.939 124.726 118.700 0.145 0.000 2.666 110 N HA 0.249 5.003 4.740 0.024 0.000 0.253 110 N C -2.888 172.702 175.510 0.133 0.000 1.621 110 N CA -1.194 51.937 53.050 0.136 0.000 0.785 110 N CB 1.410 40.004 38.487 0.178 0.000 1.332 110 N HN 0.288 nan 8.380 nan 0.000 0.514 111 P HA 0.177 nan 4.420 nan 0.000 0.266 111 P C -2.277 174.853 177.300 -0.284 0.000 1.195 111 P CA -0.654 62.044 63.100 -0.670 0.000 0.768 111 P CB 0.630 31.753 31.700 -0.962 0.000 0.838 112 P HA 0.242 nan 4.420 nan 0.000 0.266 112 P C -0.450 176.714 177.300 -0.227 0.000 1.561 112 P CA -0.327 62.580 63.100 -0.321 0.000 1.089 112 P CB 0.024 31.526 31.700 -0.330 0.000 1.534 113 F N 1.050 121.100 119.950 0.166 0.000 2.380 113 F HA 0.324 4.865 4.527 0.024 0.000 0.325 113 F C 1.351 177.322 175.800 0.285 0.000 1.136 113 F CA -0.587 57.526 58.000 0.188 0.000 1.171 113 F CB 0.838 39.898 39.000 0.100 0.000 1.230 113 F HN -0.200 nan 8.300 nan 0.000 0.554 114 V N -1.101 119.082 119.914 0.448 0.000 3.126 114 V HA 0.694 4.829 4.120 0.024 0.000 0.314 114 V C -2.803 173.449 176.094 0.264 0.000 1.138 114 V CA -2.892 59.595 62.300 0.311 0.000 1.034 114 V CB 1.381 33.441 31.823 0.395 0.000 1.075 114 V HN 0.468 nan 8.190 nan 0.000 0.442 115 P HA 0.198 nan 4.420 nan 0.000 0.268 115 P C 1.053 178.489 177.300 0.227 0.000 1.208 115 P CA 0.547 63.734 63.100 0.145 0.000 0.777 115 P CB 0.549 32.304 31.700 0.092 0.000 0.875 116 T N -1.825 112.836 114.554 0.179 0.000 2.904 116 T HA -0.066 4.298 4.350 0.024 0.000 0.267 116 T C 0.548 175.357 174.700 0.182 0.000 1.059 116 T CA 0.769 62.982 62.100 0.188 0.000 1.137 116 T CB -0.469 68.478 68.868 0.132 0.000 0.879 116 T HN 0.373 nan 8.240 nan 0.000 0.467 117 E N 2.616 122.920 120.200 0.174 0.000 2.003 117 E HA 0.248 4.612 4.350 0.024 0.000 0.279 117 E C -0.790 175.963 176.600 0.255 0.000 1.132 117 E CA -0.342 56.167 56.400 0.181 0.000 0.888 117 E CB 0.224 30.035 29.700 0.185 0.000 1.056 117 E HN 0.246 nan 8.360 nan 0.000 0.399 118 N N 4.795 123.620 118.700 0.207 0.000 2.576 118 N HA 0.241 4.995 4.740 0.024 0.000 0.269 118 N C -2.881 172.660 175.510 0.050 0.000 1.058 118 N CA -2.434 50.775 53.050 0.264 0.000 0.860 118 N CB 1.212 39.848 38.487 0.249 0.000 1.249 118 N HN 0.049 nan 8.380 nan 0.000 0.525 119 P HA 0.019 nan 4.420 nan 0.000 0.260 119 P C -0.822 176.362 177.300 -0.193 0.000 1.172 119 P CA 0.512 63.538 63.100 -0.123 0.000 0.760 119 P CB 0.415 32.354 31.700 0.398 0.000 0.773 120 T N 2.901 117.071 114.554 -0.639 0.000 2.812 120 T HA 0.556 4.920 4.350 0.024 0.000 0.282 120 T C 0.270 174.430 174.700 -0.899 0.000 0.990 120 T CA -0.548 61.239 62.100 -0.522 0.000 0.960 120 T CB 1.468 70.087 68.868 -0.415 0.000 0.948 120 T HN 0.338 nan 8.240 nan 0.000 0.438 121 G N 1.052 109.363 108.800 -0.815 0.000 2.335 121 G HA2 0.472 4.446 3.960 0.024 0.000 0.314 121 G HA3 0.472 4.446 3.960 0.024 0.000 0.314 121 G C -0.290 174.302 174.900 -0.513 0.000 1.129 121 G CA -0.345 44.151 45.100 -1.007 0.000 0.912 121 G HN 0.857 nan 8.290 nan 0.000 0.443 122 C N 3.281 122.059 119.300 -0.870 0.000 2.203 122 C HA 0.480 4.954 4.460 0.024 0.000 0.325 122 C C -0.522 174.406 174.990 -0.105 0.000 1.156 122 C CA -0.857 57.818 59.018 -0.572 0.000 1.597 122 C CB -1.742 25.287 27.740 -1.184 0.000 2.148 122 C HN 0.630 nan 8.230 nan 0.000 0.472 123 Y N 1.926 122.491 120.300 0.440 0.000 2.457 123 Y HA 0.667 5.231 4.550 0.024 0.000 0.333 123 Y C 0.787 177.148 175.900 0.768 0.000 1.119 123 Y CA -0.183 58.302 58.100 0.642 0.000 1.143 123 Y CB 1.536 40.370 38.460 0.623 0.000 1.230 123 Y HN 0.669 nan 8.280 nan 0.000 0.469 124 S N 1.845 118.035 115.700 0.818 0.000 2.570 124 S HA 0.794 5.278 4.470 0.024 0.000 0.270 124 S C -2.015 172.633 174.600 0.079 0.000 1.149 124 S CA -0.824 57.610 58.200 0.389 0.000 0.837 124 S CB 2.173 65.479 63.200 0.178 0.000 1.124 124 S HN 0.581 nan 8.310 nan 0.000 0.465 125 L N 0.804 121.882 121.223 -0.241 0.000 2.526 125 L HA 0.704 5.058 4.340 0.024 0.000 0.263 125 L C -1.140 175.657 176.870 -0.122 0.000 0.943 125 L CA 0.144 54.689 54.840 -0.492 0.000 0.859 125 L CB 2.264 43.507 42.059 -1.361 0.000 1.313 125 L HN 0.921 nan 8.230 nan 0.000 0.406 126 T N 5.789 120.308 114.554 -0.058 0.000 2.749 126 T HA 0.751 5.115 4.350 0.024 0.000 0.287 126 T C -0.802 173.952 174.700 0.089 0.000 0.970 126 T CA 0.010 62.121 62.100 0.019 0.000 0.980 126 T CB 0.204 69.050 68.868 -0.037 0.000 0.924 126 T HN 0.460 nan 8.240 nan 0.000 0.456 127 F N 1.054 120.909 119.950 -0.158 0.000 2.711 127 F HA 0.735 5.276 4.527 0.024 0.000 0.313 127 F C -0.854 174.871 175.800 -0.125 0.000 1.141 127 F CA -1.560 56.349 58.000 -0.151 0.000 0.941 127 F CB 1.323 40.212 39.000 -0.186 0.000 1.349 127 F HN 0.348 nan 8.300 nan 0.000 0.464 128 N N 0.216 118.831 118.700 -0.140 0.000 2.487 128 N HA 0.662 5.416 4.740 0.024 0.000 0.292 128 N C -1.918 173.472 175.510 -0.200 0.000 1.108 128 N CA -0.431 52.480 53.050 -0.231 0.000 0.956 128 N CB 1.946 40.360 38.487 -0.123 0.000 1.176 128 N HN 0.655 nan 8.380 nan 0.000 0.484 129 V N 2.191 121.954 119.914 -0.253 0.000 2.577 129 V HA 0.271 4.406 4.120 0.024 0.000 0.303 129 V C -0.885 175.093 176.094 -0.193 0.000 1.042 129 V CA -0.994 61.171 62.300 -0.225 0.000 0.872 129 V CB 1.720 33.456 31.823 -0.144 0.000 0.998 129 V HN 0.721 nan 8.190 nan 0.000 0.423 130 D N 2.967 123.208 120.400 -0.264 0.000 2.424 130 D HA 0.064 4.718 4.640 0.024 0.000 0.244 130 D C 1.016 177.319 176.300 0.007 0.000 1.134 130 D CA -0.024 53.900 54.000 -0.127 0.000 0.881 130 D CB 1.734 42.457 40.800 -0.128 0.000 1.191 130 D HN 0.687 nan 8.370 nan 0.000 0.445 131 E N 1.404 121.620 120.200 0.026 0.000 2.209 131 E HA -0.194 4.170 4.350 0.024 0.000 0.196 131 E C 1.630 178.295 176.600 0.109 0.000 0.993 131 E CA 1.355 57.792 56.400 0.063 0.000 0.819 131 E CB -0.143 29.578 29.700 0.034 0.000 0.745 131 E HN 0.424 nan 8.360 nan 0.000 0.477 132 S N -1.050 114.723 115.700 0.121 0.000 2.419 132 S HA -0.167 4.317 4.470 0.024 0.000 0.235 132 S C 1.663 176.342 174.600 0.132 0.000 1.019 132 S CA 1.000 59.274 58.200 0.122 0.000 0.982 132 S CB -0.787 62.486 63.200 0.123 0.000 0.789 132 S HN 0.394 nan 8.310 nan 0.000 0.490 133 W N 1.328 122.551 121.300 -0.128 0.000 2.770 133 W HA 0.441 5.115 4.660 0.024 0.000 0.256 133 W C 1.844 178.435 176.519 0.120 0.000 1.291 133 W CA -0.290 56.953 57.345 -0.169 0.000 1.396 133 W CB -0.306 29.125 29.460 -0.048 0.000 1.114 133 W HN 0.302 nan 8.180 nan 0.000 0.637 134 L N -0.249 121.149 121.223 0.291 0.000 2.470 134 L HA 0.010 4.364 4.340 0.024 0.000 0.219 134 L C 2.522 179.482 176.870 0.149 0.000 1.071 134 L CA 0.510 55.480 54.840 0.216 0.000 0.850 134 L CB -0.741 41.411 42.059 0.156 0.000 1.040 134 L HN -0.003 nan 8.230 nan 0.000 0.475 135 Q N 2.100 121.974 119.800 0.123 0.000 2.291 135 Q HA -0.100 4.254 4.340 0.024 0.000 0.205 135 Q C 0.171 176.223 176.000 0.086 0.000 0.970 135 Q CA 0.878 56.732 55.803 0.085 0.000 0.876 135 Q CB 0.011 28.788 28.738 0.064 0.000 0.935 135 Q HN 0.672 nan 8.270 nan 0.000 0.455 136 E N -1.630 118.643 120.200 0.121 0.000 2.423 136 E HA 0.559 4.923 4.350 0.024 0.000 0.280 136 E C -0.247 176.464 176.600 0.185 0.000 1.030 136 E CA -0.839 55.627 56.400 0.111 0.000 0.812 136 E CB 1.234 30.983 29.700 0.082 0.000 1.313 136 E HN 0.170 nan 8.360 nan 0.000 0.456 137 G N 0.609 109.449 108.800 0.067 0.000 2.698 137 G HA2 -0.257 3.718 3.960 0.024 0.000 0.233 137 G HA3 -0.257 3.718 3.960 0.024 0.000 0.233 137 G C -0.830 173.980 174.900 -0.149 0.000 1.352 137 G CA 0.085 45.122 45.100 -0.105 0.000 0.879 137 G HN 0.749 nan 8.290 nan 0.000 0.567 138 Q N -0.568 119.004 119.800 -0.380 0.000 2.340 138 Q HA 0.633 4.987 4.340 0.024 0.000 0.268 138 Q C -0.936 174.929 176.000 -0.226 0.000 1.031 138 Q CA -0.489 55.198 55.803 -0.194 0.000 0.804 138 Q CB 1.521 30.167 28.738 -0.153 0.000 1.286 138 Q HN 0.614 nan 8.270 nan 0.000 0.448 139 T N 4.980 119.568 114.554 0.056 0.000 2.772 139 T HA 0.455 4.820 4.350 0.024 0.000 0.288 139 T C -0.582 174.240 174.700 0.204 0.000 0.994 139 T CA -0.616 61.620 62.100 0.228 0.000 0.951 139 T CB 0.457 69.610 68.868 0.476 0.000 0.933 139 T HN 0.621 nan 8.240 nan 0.000 0.447 140 R N 2.848 123.451 120.500 0.172 0.000 2.873 140 R HA 0.795 5.149 4.340 0.024 0.000 0.264 140 R C -0.995 175.404 176.300 0.164 0.000 1.026 140 R CA -1.010 55.188 56.100 0.163 0.000 1.002 140 R CB 1.489 31.855 30.300 0.111 0.000 1.174 140 R HN 0.547 nan 8.270 nan 0.000 0.488 141 I N 1.892 122.558 120.570 0.160 0.000 2.493 141 I HA 0.448 4.632 4.170 0.024 0.000 0.298 141 I C -1.114 175.036 176.117 0.055 0.000 0.998 141 I CA -1.283 60.053 61.300 0.060 0.000 1.137 141 I CB 1.419 39.453 38.000 0.056 0.000 1.310 141 I HN 0.606 nan 8.210 nan 0.000 0.445 142 I N 7.262 127.766 120.570 -0.110 0.000 2.418 142 I HA 0.291 4.475 4.170 0.024 0.000 0.287 142 I C -1.266 174.685 176.117 -0.277 0.000 1.008 142 I CA -0.394 60.858 61.300 -0.081 0.000 1.104 142 I CB 1.483 39.447 38.000 -0.060 0.000 1.264 142 I HN 0.401 nan 8.210 nan 0.000 0.438 143 F N 4.580 124.514 119.950 -0.027 0.000 2.313 143 F HA 0.256 4.797 4.527 0.023 0.000 0.369 143 F C 1.325 177.005 175.800 -0.199 0.000 1.109 143 F CA -0.432 57.476 58.000 -0.152 0.000 1.132 143 F CB 0.660 39.523 39.000 -0.228 0.000 1.291 143 F HN 0.464 nan 8.300 nan 0.000 0.496 144 D N 2.351 122.664 120.400 -0.145 0.000 2.310 144 D HA 0.040 4.695 4.640 0.024 0.000 0.212 144 D C 0.988 177.119 176.300 -0.282 0.000 0.965 144 D CA 0.839 54.709 54.000 -0.216 0.000 0.879 144 D CB 0.418 41.027 40.800 -0.318 0.000 0.921 144 D HN 0.627 nan 8.370 nan 0.000 0.510 145 G N -0.387 108.190 108.800 -0.371 0.000 2.505 145 G HA2 0.431 4.405 3.960 0.024 0.000 0.292 145 G HA3 0.431 4.405 3.960 0.024 0.000 0.292 145 G C -1.459 173.176 174.900 -0.441 0.000 1.332 145 G CA -0.414 44.352 45.100 -0.558 0.000 1.286 145 G HN -0.061 nan 8.290 nan 0.000 0.606 146 V N 2.564 122.418 119.914 -0.100 0.000 2.524 146 V HA 0.506 4.640 4.120 0.024 0.000 0.297 146 V C -0.830 175.352 176.094 0.147 0.000 1.035 146 V CA -1.175 61.076 62.300 -0.082 0.000 0.867 146 V CB 1.889 33.402 31.823 -0.517 0.000 1.004 146 V HN 0.704 nan 8.190 nan 0.000 0.426 147 N N 2.649 121.440 118.700 0.151 0.000 2.476 147 N HA 0.341 5.095 4.740 0.024 0.000 0.257 147 N C 0.566 176.028 175.510 -0.079 0.000 0.970 147 N CA 0.153 53.205 53.050 0.004 0.000 0.938 147 N CB 2.128 40.471 38.487 -0.240 0.000 1.144 147 N HN 0.684 nan 8.380 nan 0.000 0.500 148 S N 1.805 117.494 115.700 -0.018 0.000 2.559 148 S HA 0.590 5.074 4.470 0.024 0.000 0.226 148 S C 0.281 174.948 174.600 0.113 0.000 1.030 148 S CA -0.002 58.230 58.200 0.053 0.000 0.956 148 S CB 0.368 63.609 63.200 0.069 0.000 0.900 148 S HN 0.644 nan 8.310 nan 0.000 0.510 149 A N 0.941 123.838 122.820 0.129 0.000 2.612 149 A HA 0.795 5.129 4.320 0.024 0.000 0.293 149 A C -1.340 176.332 177.584 0.147 0.000 1.075 149 A CA -0.976 51.096 52.037 0.058 0.000 0.680 149 A CB 0.915 19.983 19.000 0.113 0.000 1.279 149 A HN 1.095 nan 8.150 nan 0.000 0.411 150 F N -0.635 119.117 119.950 -0.330 0.000 2.719 150 F HA 0.743 5.284 4.527 0.023 0.000 0.309 150 F C -1.150 174.513 175.800 -0.228 0.000 1.138 150 F CA -0.788 57.110 58.000 -0.170 0.000 0.943 150 F CB 1.118 40.011 39.000 -0.179 0.000 1.304 150 F HN 0.633 nan 8.300 nan 0.000 0.445 151 H N 1.803 120.987 119.070 0.190 0.000 2.529 151 H HA 0.722 5.292 4.556 0.024 0.000 0.348 151 H C -1.465 173.795 175.328 -0.113 0.000 1.152 151 H CA -0.746 55.287 56.048 -0.025 0.000 1.202 151 H CB 2.512 32.248 29.762 -0.043 0.000 1.562 151 H HN 0.767 nan 8.280 nan 0.000 0.515 152 L N 2.830 123.803 121.223 -0.416 0.000 2.385 152 L HA 0.387 4.741 4.340 0.024 0.000 0.273 152 L C -1.598 174.955 176.870 -0.527 0.000 0.990 152 L CA -0.506 54.158 54.840 -0.292 0.000 0.821 152 L CB 1.366 43.108 42.059 -0.529 0.000 1.279 152 L HN 0.512 nan 8.230 nan 0.000 0.412 153 W N 4.190 125.454 121.300 -0.060 0.000 2.781 153 W HA 0.616 5.291 4.660 0.024 0.000 0.345 153 W C -1.079 175.372 176.519 -0.112 0.000 1.085 153 W CA -0.803 56.489 57.345 -0.087 0.000 1.198 153 W CB 2.069 31.524 29.460 -0.009 0.000 1.423 153 W HN 0.592 nan 8.180 nan 0.000 0.532 154 C N 4.543 123.910 119.300 0.111 0.000 2.432 154 C HA 0.286 4.760 4.460 0.024 0.000 0.334 154 C C 0.173 175.278 174.990 0.191 0.000 1.155 154 C CA -0.372 58.707 59.018 0.102 0.000 1.335 154 C CB -0.780 26.949 27.740 -0.020 0.000 1.964 154 C HN 0.809 nan 8.230 nan 0.000 0.444 155 N N 3.658 122.431 118.700 0.122 0.000 2.735 155 N HA -0.186 4.568 4.740 0.024 0.000 0.248 155 N C 0.960 176.531 175.510 0.101 0.000 1.083 155 N CA 1.973 55.074 53.050 0.085 0.000 0.703 155 N CB -1.381 37.160 38.487 0.091 0.000 1.005 155 N HN 1.880 nan 8.380 nan 0.000 0.550 156 G N -1.091 107.762 108.800 0.088 0.000 2.179 156 G HA2 -0.372 3.602 3.960 0.024 0.000 0.260 156 G HA3 -0.372 3.602 3.960 0.024 0.000 0.260 156 G C 0.124 175.180 174.900 0.261 0.000 0.977 156 G CA 0.701 45.845 45.100 0.073 0.000 0.641 156 G HN 0.567 nan 8.290 nan 0.000 0.533 157 R N -1.026 119.699 120.500 0.374 0.000 2.407 157 R HA 0.447 4.801 4.340 0.024 0.000 0.303 157 R C -0.202 176.432 176.300 0.557 0.000 0.981 157 R CA -0.881 55.518 56.100 0.499 0.000 0.905 157 R CB 1.101 31.714 30.300 0.522 0.000 1.099 157 R HN 0.217 nan 8.270 nan 0.000 0.459 158 W N 3.512 125.007 121.300 0.326 0.000 2.251 158 W HA 0.072 4.746 4.660 0.023 0.000 0.327 158 W C 0.108 176.538 176.519 -0.149 0.000 1.361 158 W CA 0.057 57.301 57.345 -0.168 0.000 1.234 158 W CB 0.680 30.012 29.460 -0.214 0.000 1.212 158 W HN 0.339 nan 8.180 nan 0.000 0.557 159 V N 5.327 124.493 119.914 -1.247 0.000 2.627 159 V HA 0.530 4.664 4.120 0.024 0.000 0.239 159 V C 1.070 176.129 176.094 -1.725 0.000 1.077 159 V CA 1.013 62.535 62.300 -1.297 0.000 1.103 159 V CB -0.451 30.652 31.823 -1.199 0.000 0.802 159 V HN 0.823 nan 8.190 nan 0.000 0.482 160 G N -1.720 105.786 108.800 -2.155 0.000 2.340 160 G HA2 0.467 4.441 3.960 0.024 0.000 0.299 160 G HA3 0.467 4.441 3.960 0.024 0.000 0.299 160 G C -2.443 171.977 174.900 -0.801 0.000 1.291 160 G CA -0.275 43.984 45.100 -1.403 0.000 0.841 160 G HN 0.022 nan 8.290 nan 0.000 0.500 161 Y N -0.513 119.520 120.300 -0.446 0.000 2.562 161 Y HA 0.724 5.288 4.550 0.023 0.000 0.345 161 Y C -0.081 175.564 175.900 -0.425 0.000 1.045 161 Y CA -0.074 57.710 58.100 -0.526 0.000 1.028 161 Y CB 2.263 40.594 38.460 -0.215 0.000 1.297 161 Y HN 1.259 nan 8.280 nan 0.000 0.463 162 G N 3.574 111.452 108.800 -1.536 0.000 2.718 162 G HA2 0.585 4.559 3.960 0.024 0.000 0.295 162 G HA3 0.585 4.559 3.960 0.024 0.000 0.295 162 G C -2.147 172.281 174.900 -0.786 0.000 1.421 162 G CA -0.913 43.651 45.100 -0.894 0.000 0.902 162 G HN 0.632 nan 8.290 nan 0.000 0.501 163 Q N -0.163 119.447 119.800 -0.317 0.000 2.552 163 Q HA 0.622 4.976 4.340 0.024 0.000 0.289 163 Q C -1.364 174.645 176.000 0.014 0.000 1.097 163 Q CA -0.883 54.862 55.803 -0.097 0.000 0.812 163 Q CB 2.697 31.440 28.738 0.009 0.000 1.460 163 Q HN 0.629 nan 8.270 nan 0.000 0.452 164 D N -0.191 120.253 120.400 0.074 0.000 4.303 164 D HA -0.095 4.559 4.640 0.024 0.000 0.230 164 D C -0.622 175.747 176.300 0.114 0.000 1.172 164 D CA 0.347 54.404 54.000 0.094 0.000 1.001 164 D CB -0.648 40.191 40.800 0.063 0.000 0.641 164 D HN 0.535 nan 8.370 nan 0.000 0.296 165 S N 3.205 118.987 115.700 0.136 0.000 2.595 165 S HA -0.034 4.450 4.470 0.024 0.000 0.235 165 S C 1.535 176.269 174.600 0.223 0.000 0.974 165 S CA 0.454 58.765 58.200 0.185 0.000 0.942 165 S CB 0.267 63.551 63.200 0.140 0.000 0.766 165 S HN 0.443 nan 8.310 nan 0.000 0.536 166 R N 0.092 120.684 120.500 0.154 0.000 2.535 166 R HA 0.424 4.779 4.340 0.024 0.000 0.323 166 R C -0.403 175.955 176.300 0.096 0.000 0.979 166 R CA 0.054 56.244 56.100 0.150 0.000 1.120 166 R CB 0.284 30.694 30.300 0.184 0.000 1.306 166 R HN 0.317 nan 8.270 nan 0.000 0.540 167 L N 1.699 122.952 121.223 0.049 0.000 2.371 167 L HA 0.526 4.880 4.340 0.024 0.000 0.262 167 L C -2.372 174.477 176.870 -0.036 0.000 1.006 167 L CA -2.258 52.581 54.840 -0.001 0.000 0.818 167 L CB 2.907 44.959 42.059 -0.012 0.000 1.354 167 L HN -0.213 nan 8.230 nan 0.000 0.415 168 P HA 0.130 nan 4.420 nan 0.000 0.275 168 P C -1.036 176.230 177.300 -0.057 0.000 1.227 168 P CA -0.255 62.799 63.100 -0.077 0.000 0.781 168 P CB 1.222 32.839 31.700 -0.138 0.000 0.906 169 S N 1.783 117.509 115.700 0.043 0.000 2.454 169 S HA 0.365 4.849 4.470 0.024 0.000 0.306 169 S C -0.402 174.149 174.600 -0.082 0.000 1.100 169 S CA -0.576 57.612 58.200 -0.020 0.000 1.087 169 S CB 1.004 64.360 63.200 0.260 0.000 1.019 169 S HN 0.381 nan 8.310 nan 0.000 0.480 170 E N 1.619 121.549 120.200 -0.451 0.000 2.266 170 E HA 0.588 4.952 4.350 0.024 0.000 0.268 170 E C -1.527 174.643 176.600 -0.716 0.000 0.879 170 E CA -0.569 55.636 56.400 -0.325 0.000 0.762 170 E CB 1.802 31.434 29.700 -0.112 0.000 1.199 170 E HN 0.424 nan 8.360 nan 0.000 0.422 171 F N 0.500 120.512 119.950 0.102 0.000 2.578 171 F HA 0.205 4.746 4.527 0.024 0.000 0.311 171 F C -0.113 175.721 175.800 0.057 0.000 1.094 171 F CA -1.102 56.924 58.000 0.042 0.000 0.923 171 F CB 1.583 40.576 39.000 -0.012 0.000 1.230 171 F HN 0.270 nan 8.300 nan 0.000 0.450 172 D N 2.825 123.358 120.400 0.222 0.000 2.339 172 D HA 0.215 4.870 4.640 0.024 0.000 0.256 172 D C 0.343 176.803 176.300 0.266 0.000 1.214 172 D CA 0.344 54.464 54.000 0.200 0.000 0.877 172 D CB 0.938 41.836 40.800 0.164 0.000 1.111 172 D HN 0.570 nan 8.370 nan 0.000 0.478 173 L N 2.765 124.148 121.223 0.266 0.000 2.640 173 L HA 0.023 4.378 4.340 0.024 0.000 0.230 173 L C 2.090 179.199 176.870 0.398 0.000 1.123 173 L CA -0.148 54.898 54.840 0.343 0.000 0.900 173 L CB 0.056 42.269 42.059 0.256 0.000 1.146 173 L HN 0.274 nan 8.230 nan 0.000 0.484 174 S N 1.374 117.247 115.700 0.290 0.000 2.372 174 S HA -0.277 4.208 4.470 0.024 0.000 0.227 174 S C 2.098 176.801 174.600 0.171 0.000 1.044 174 S CA 1.806 60.134 58.200 0.213 0.000 1.050 174 S CB -0.181 63.102 63.200 0.140 0.000 0.901 174 S HN 0.565 nan 8.310 nan 0.000 0.447 175 A N -0.330 122.566 122.820 0.126 0.000 2.167 175 A HA 0.264 4.598 4.320 0.024 0.000 0.214 175 A C 1.453 178.934 177.584 -0.172 0.000 1.151 175 A CA 0.514 52.509 52.037 -0.070 0.000 0.735 175 A CB -0.480 18.391 19.000 -0.214 0.000 0.802 175 A HN 0.486 nan 8.150 nan 0.000 0.467 176 F N -0.558 119.436 119.950 0.073 0.000 2.717 176 F HA 0.347 4.888 4.527 0.023 0.000 0.295 176 F C 0.720 176.557 175.800 0.062 0.000 1.117 176 F CA -0.065 57.977 58.000 0.070 0.000 1.361 176 F CB 0.023 39.071 39.000 0.081 0.000 1.112 176 F HN -0.029 nan 8.300 nan 0.000 0.594 177 L N 1.109 122.482 121.223 0.251 0.000 2.399 177 L HA 0.498 4.852 4.340 0.024 0.000 0.265 177 L C 0.141 177.053 176.870 0.070 0.000 1.089 177 L CA -0.786 54.141 54.840 0.145 0.000 0.802 177 L CB 1.126 43.280 42.059 0.159 0.000 1.180 177 L HN 0.024 nan 8.230 nan 0.000 0.454 178 R N 1.130 121.634 120.500 0.006 0.000 2.795 178 R HA 0.793 5.147 4.340 0.024 0.000 0.275 178 R C -0.950 175.325 176.300 -0.043 0.000 0.981 178 R CA -0.891 55.203 56.100 -0.010 0.000 0.917 178 R CB 1.536 31.821 30.300 -0.026 0.000 1.202 178 R HN 0.564 nan 8.270 nan 0.000 0.469 179 A N 1.533 124.338 122.820 -0.026 0.000 2.531 179 A HA 0.465 4.799 4.320 0.024 0.000 0.236 179 A C 1.069 178.605 177.584 -0.081 0.000 1.062 179 A CA 1.151 53.162 52.037 -0.043 0.000 0.760 179 A CB -0.730 18.258 19.000 -0.019 0.000 0.995 179 A HN 1.376 nan 8.150 nan 0.000 0.501 180 G N 1.287 110.020 108.800 -0.113 0.000 2.475 180 G HA2 -0.083 3.891 3.960 0.024 0.000 0.223 180 G HA3 -0.083 3.891 3.960 0.024 0.000 0.223 180 G C -0.486 174.287 174.900 -0.212 0.000 1.201 180 G CA -0.110 44.910 45.100 -0.133 0.000 0.962 180 G HN 0.902 nan 8.290 nan 0.000 0.586 181 E N 2.269 122.351 120.200 -0.196 0.000 2.257 181 E HA 0.379 4.743 4.350 0.024 0.000 0.278 181 E C 0.229 176.640 176.600 -0.315 0.000 1.049 181 E CA 0.001 56.250 56.400 -0.252 0.000 0.876 181 E CB 0.533 30.136 29.700 -0.162 0.000 1.035 181 E HN 0.463 nan 8.360 nan 0.000 0.419 182 N N 2.266 120.643 118.700 -0.539 0.000 2.405 182 N HA 0.423 5.177 4.740 0.024 0.000 0.285 182 N C -0.651 174.636 175.510 -0.371 0.000 1.262 182 N CA -0.681 52.063 53.050 -0.510 0.000 0.773 182 N CB 2.693 40.705 38.487 -0.792 0.000 1.490 182 N HN 0.196 nan 8.380 nan 0.000 0.486 183 R N 1.430 121.866 120.500 -0.107 0.000 2.532 183 R HA 0.481 4.835 4.340 0.024 0.000 0.297 183 R C -1.241 175.133 176.300 0.123 0.000 0.984 183 R CA -0.485 55.630 56.100 0.025 0.000 0.884 183 R CB 1.074 31.341 30.300 -0.055 0.000 1.182 183 R HN 0.479 nan 8.270 nan 0.000 0.442 184 L N 2.977 124.309 121.223 0.182 0.000 2.343 184 L HA 0.732 5.086 4.340 0.024 0.000 0.275 184 L C -0.229 176.694 176.870 0.088 0.000 1.056 184 L CA -0.897 54.039 54.840 0.159 0.000 0.804 184 L CB 1.899 44.035 42.059 0.128 0.000 1.203 184 L HN 0.740 nan 8.230 nan 0.000 0.440 185 A N 2.975 125.868 122.820 0.122 0.000 2.343 185 A HA 0.755 5.089 4.320 0.024 0.000 0.308 185 A C -1.057 176.833 177.584 0.509 0.000 1.092 185 A CA -0.451 51.591 52.037 0.008 0.000 0.751 185 A CB 1.548 20.058 19.000 -0.816 0.000 1.203 185 A HN 0.374 nan 8.150 nan 0.000 0.452 186 V N 3.346 123.723 119.914 0.771 0.000 2.483 186 V HA 0.479 4.613 4.120 0.024 0.000 0.297 186 V C -0.146 176.459 176.094 0.852 0.000 1.027 186 V CA -0.314 62.419 62.300 0.720 0.000 0.855 186 V CB 1.595 33.658 31.823 0.400 0.000 0.995 186 V HN 0.968 nan 8.190 nan 0.000 0.424 187 M N 5.925 126.034 119.600 0.849 0.000 2.061 187 M HA 0.573 5.067 4.480 0.024 0.000 0.346 187 M C -1.462 175.086 176.300 0.413 0.000 1.112 187 M CA -0.394 55.231 55.300 0.541 0.000 1.021 187 M CB 1.149 34.120 32.600 0.619 0.000 1.530 187 M HN 0.486 nan 8.290 nan 0.000 0.437 188 V N 6.771 126.886 119.914 0.336 0.000 2.394 188 V HA 0.390 4.524 4.120 0.024 0.000 0.282 188 V C -0.063 176.188 176.094 0.262 0.000 1.031 188 V CA -0.667 61.842 62.300 0.349 0.000 0.881 188 V CB 1.416 33.549 31.823 0.517 0.000 0.982 188 V HN 0.801 nan 8.190 nan 0.000 0.451 189 L N 4.987 126.301 121.223 0.152 0.000 2.275 189 L HA 0.502 4.856 4.340 0.024 0.000 0.288 189 L C 1.550 178.446 176.870 0.044 0.000 1.046 189 L CA -0.372 54.480 54.840 0.021 0.000 0.805 189 L CB 1.292 43.266 42.059 -0.141 0.000 1.193 189 L HN 0.659 nan 8.230 nan 0.000 0.426 190 R N 2.974 123.457 120.500 -0.028 0.000 2.073 190 R HA -0.064 4.290 4.340 0.024 0.000 0.234 190 R C -0.316 175.688 176.300 -0.494 0.000 1.134 190 R CA 1.362 57.208 56.100 -0.424 0.000 0.952 190 R CB 0.191 30.070 30.300 -0.701 0.000 0.850 190 R HN 0.554 nan 8.270 nan 0.000 0.433 191 W N 0.203 121.563 121.300 0.100 0.000 2.606 191 W HA 0.417 5.091 4.660 0.023 0.000 0.332 191 W C -0.278 176.344 176.519 0.172 0.000 1.052 191 W CA -0.770 56.640 57.345 0.108 0.000 1.223 191 W CB 1.730 31.257 29.460 0.111 0.000 1.383 191 W HN 0.044 nan 8.180 nan 0.000 0.524 192 S N -0.996 114.984 115.700 0.468 0.000 2.643 192 S HA 0.199 4.683 4.470 0.024 0.000 0.270 192 S C 0.074 174.929 174.600 0.424 0.000 1.166 192 S CA -0.450 58.037 58.200 0.479 0.000 0.815 192 S CB 1.130 64.584 63.200 0.423 0.000 1.139 192 S HN 0.636 nan 8.310 nan 0.000 0.472 193 D N 0.373 121.029 120.400 0.426 0.000 2.263 193 D HA 0.070 4.724 4.640 0.024 0.000 0.208 193 D C 1.760 178.368 176.300 0.514 0.000 0.971 193 D CA 1.151 55.450 54.000 0.499 0.000 0.867 193 D CB -0.667 40.305 40.800 0.288 0.000 0.929 193 D HN 0.708 nan 8.370 nan 0.000 0.492 194 G N 0.144 109.167 108.800 0.372 0.000 2.448 194 G HA2 -0.261 3.713 3.960 0.024 0.000 0.219 194 G HA3 -0.261 3.713 3.960 0.024 0.000 0.219 194 G C 1.692 176.777 174.900 0.308 0.000 1.127 194 G CA 0.699 45.991 45.100 0.320 0.000 0.766 194 G HN 0.312 nan 8.290 nan 0.000 0.552 195 S N -0.117 115.750 115.700 0.279 0.000 2.419 195 S HA -0.109 4.376 4.470 0.024 0.000 0.233 195 S C 1.876 176.575 174.600 0.165 0.000 1.016 195 S CA 0.730 59.061 58.200 0.219 0.000 0.974 195 S CB -0.393 62.940 63.200 0.223 0.000 0.786 195 S HN 0.565 nan 8.310 nan 0.000 0.492 196 Y N 1.076 121.516 120.300 0.234 0.000 2.421 196 Y HA 0.102 4.666 4.550 0.023 0.000 0.292 196 Y C 1.593 177.619 175.900 0.210 0.000 1.136 196 Y CA 0.627 58.798 58.100 0.117 0.000 1.255 196 Y CB -0.137 38.249 38.460 -0.123 0.000 0.991 196 Y HN 0.194 nan 8.280 nan 0.000 0.552 197 L N -0.318 121.106 121.223 0.335 0.000 2.667 197 L HA 0.129 4.483 4.340 0.024 0.000 0.232 197 L C 0.007 177.018 176.870 0.235 0.000 1.138 197 L CA 0.422 55.414 54.840 0.253 0.000 0.921 197 L CB 0.089 42.301 42.059 0.256 0.000 1.180 197 L HN 0.132 nan 8.230 nan 0.000 0.487 198 E N -0.058 120.292 120.200 0.250 0.000 3.846 198 E HA 0.040 4.404 4.350 0.024 0.000 0.216 198 E C -0.480 176.226 176.600 0.177 0.000 1.092 198 E CA -0.052 56.479 56.400 0.218 0.000 1.370 198 E CB 0.516 30.337 29.700 0.202 0.000 1.227 198 E HN 0.037 nan 8.360 nan 0.000 0.442 199 D N 0.982 121.443 120.400 0.101 0.000 2.561 199 D HA 0.033 4.688 4.640 0.024 0.000 0.232 199 D C -0.202 176.084 176.300 -0.024 0.000 1.198 199 D CA -0.135 53.808 54.000 -0.095 0.000 0.826 199 D CB 0.218 40.695 40.800 -0.540 0.000 0.992 199 D HN 0.045 nan 8.370 nan 0.000 0.490 200 Q N 0.496 120.378 119.800 0.137 0.000 2.395 200 Q HA 0.100 4.454 4.340 0.024 0.000 0.271 200 Q C -0.106 176.009 176.000 0.191 0.000 1.026 200 Q CA 0.121 56.073 55.803 0.248 0.000 0.900 200 Q CB 0.595 29.632 28.738 0.499 0.000 1.266 200 Q HN 0.071 nan 8.270 nan 0.000 0.430 201 D N 3.191 123.727 120.400 0.226 0.000 2.489 201 D HA 0.134 4.788 4.640 0.024 0.000 0.237 201 D C -0.772 175.664 176.300 0.228 0.000 1.212 201 D CA 0.203 54.312 54.000 0.181 0.000 1.058 201 D CB -0.448 40.466 40.800 0.190 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.210 119.911 119.600 0.168 0.000 2.949 202 M HA 0.387 4.882 4.480 0.024 0.000 0.270 202 M C -1.250 175.126 176.300 0.127 0.000 1.221 202 M CA -1.182 54.154 55.300 0.060 0.000 0.818 202 M CB 0.956 33.531 32.600 -0.042 0.000 1.635 202 M HN -0.109 nan 8.290 nan 0.000 0.492 203 W N 1.914 123.296 121.300 0.136 0.000 2.231 203 W HA 0.291 4.966 4.660 0.024 0.000 0.341 203 W C 0.245 176.781 176.519 0.028 0.000 1.298 203 W CA 0.082 57.496 57.345 0.114 0.000 1.266 203 W CB 0.296 29.762 29.460 0.010 0.000 1.172 203 W HN 0.285 nan 8.180 nan 0.000 0.568 204 R N 4.606 125.274 120.500 0.281 0.000 2.215 204 R HA 0.444 4.798 4.340 0.024 0.000 0.336 204 R C -0.137 176.166 176.300 0.005 0.000 0.996 204 R CA -0.359 55.823 56.100 0.136 0.000 0.847 204 R CB 0.376 30.823 30.300 0.245 0.000 1.127 204 R HN 0.543 nan 8.270 nan 0.000 0.465 205 M N 0.291 119.782 119.600 -0.182 0.000 2.821 205 M HA 0.536 5.031 4.480 0.024 0.000 0.294 205 M C 0.035 175.979 176.300 -0.594 0.000 1.195 205 M CA -0.827 54.244 55.300 -0.382 0.000 0.784 205 M CB 2.301 34.681 32.600 -0.367 0.000 1.755 205 M HN 0.643 nan 8.290 nan 0.000 0.477 206 S N -1.161 114.047 115.700 -0.820 0.000 2.615 206 S HA 0.964 5.448 4.470 0.024 0.000 0.269 206 S C -0.594 173.505 174.600 -0.835 0.000 1.161 206 S CA -0.167 57.475 58.200 -0.929 0.000 0.817 206 S CB 1.874 64.341 63.200 -1.222 0.000 1.131 206 S HN 1.436 nan 8.310 nan 0.000 0.467 207 G N -0.089 108.476 108.800 -0.391 0.000 2.331 207 G HA2 0.172 4.146 3.960 0.024 0.000 0.402 207 G HA3 0.172 4.146 3.960 0.024 0.000 0.402 207 G C -1.446 173.480 174.900 0.043 0.000 1.275 207 G CA -0.629 44.551 45.100 0.134 0.000 1.003 207 G HN 1.128 nan 8.290 nan 0.000 0.500 208 I N 2.074 122.518 120.570 -0.211 0.000 2.256 208 I HA 0.280 4.464 4.170 0.024 0.000 0.294 208 I C 1.124 177.100 176.117 -0.235 0.000 1.127 208 I CA -0.196 60.860 61.300 -0.406 0.000 1.247 208 I CB -0.181 37.297 38.000 -0.870 0.000 1.460 208 I HN 0.522 nan 8.210 nan 0.000 0.511 209 F N 4.543 124.343 119.950 -0.250 0.000 2.695 209 F HA 0.451 4.992 4.527 0.023 0.000 0.303 209 F C 0.672 176.391 175.800 -0.135 0.000 1.091 209 F CA -0.559 57.329 58.000 -0.188 0.000 1.300 209 F CB 0.143 39.035 39.000 -0.179 0.000 1.071 209 F HN 0.123 nan 8.300 nan 0.000 0.578 210 R N 0.456 120.519 120.500 -0.727 0.000 2.930 210 R HA 0.265 4.619 4.340 0.024 0.000 0.257 210 R C -0.834 175.249 176.300 -0.363 0.000 1.107 210 R CA -1.205 54.575 56.100 -0.533 0.000 0.999 210 R CB 0.576 30.486 30.300 -0.651 0.000 1.209 210 R HN -0.054 nan 8.270 nan 0.000 0.486 211 D N 0.723 120.953 120.400 -0.283 0.000 2.419 211 D HA 0.112 4.766 4.640 0.024 0.000 0.236 211 D C -0.470 175.678 176.300 -0.253 0.000 1.165 211 D CA 0.359 54.231 54.000 -0.213 0.000 0.882 211 D CB 0.709 41.419 40.800 -0.150 0.000 1.201 211 D HN -0.005 nan 8.370 nan 0.000 0.443 212 V N 1.103 120.877 119.914 -0.235 0.000 2.540 212 V HA 0.551 4.685 4.120 0.024 0.000 0.302 212 V C 0.111 176.069 176.094 -0.226 0.000 1.035 212 V CA -0.550 61.546 62.300 -0.340 0.000 0.873 212 V CB 1.593 33.212 31.823 -0.339 0.000 0.992 212 V HN 0.753 nan 8.190 nan 0.000 0.428 213 S N 4.986 120.533 115.700 -0.254 0.000 2.651 213 S HA 0.850 5.334 4.470 0.024 0.000 0.279 213 S C -1.330 173.210 174.600 -0.101 0.000 1.148 213 S CA -0.908 57.216 58.200 -0.128 0.000 0.837 213 S CB 1.927 65.087 63.200 -0.066 0.000 1.138 213 S HN 0.459 nan 8.310 nan 0.000 0.478 214 L N 1.473 122.701 121.223 0.008 0.000 2.341 214 L HA 0.681 5.035 4.340 0.024 0.000 0.278 214 L C -1.384 175.669 176.870 0.305 0.000 1.005 214 L CA -0.855 54.071 54.840 0.143 0.000 0.818 214 L CB 1.733 43.884 42.059 0.153 0.000 1.259 214 L HN 0.688 nan 8.230 nan 0.000 0.418 215 L N 3.339 124.725 121.223 0.271 0.000 2.356 215 L HA 0.468 4.822 4.340 0.024 0.000 0.277 215 L C -0.719 176.194 176.870 0.071 0.000 0.996 215 L CA -0.112 54.829 54.840 0.169 0.000 0.822 215 L CB 1.428 43.542 42.059 0.092 0.000 1.256 215 L HN 0.490 nan 8.230 nan 0.000 0.413 216 H N 5.418 124.293 119.070 -0.326 0.000 2.488 216 H HA 0.482 5.053 4.556 0.024 0.000 0.322 216 H C -1.230 173.881 175.328 -0.362 0.000 1.078 216 H CA -0.566 55.146 56.048 -0.561 0.000 1.260 216 H CB 1.111 29.941 29.762 -1.553 0.000 1.425 216 H HN 0.542 nan 8.280 nan 0.000 0.471 217 K N 5.325 125.319 120.400 -0.677 0.000 2.385 217 K HA 0.377 4.711 4.320 0.024 0.000 0.248 217 K C -2.726 173.596 176.600 -0.463 0.000 0.955 217 K CA -2.029 54.005 56.287 -0.421 0.000 0.816 217 K CB 2.166 34.501 32.500 -0.275 0.000 1.250 217 K HN 0.478 nan 8.250 nan 0.000 0.434 218 P HA 0.150 nan 4.420 nan 0.000 0.274 218 P C 0.506 177.719 177.300 -0.145 0.000 1.246 218 P CA -0.176 62.830 63.100 -0.156 0.000 0.795 218 P CB 0.457 32.112 31.700 -0.074 0.000 1.006 219 T N -0.999 113.498 114.554 -0.095 0.000 2.788 219 T HA -0.050 4.314 4.350 0.024 0.000 0.268 219 T C 0.624 175.279 174.700 -0.076 0.000 1.044 219 T CA 1.600 63.654 62.100 -0.076 0.000 1.139 219 T CB -0.577 68.266 68.868 -0.042 0.000 0.867 219 T HN 0.424 nan 8.240 nan 0.000 0.454 220 T N 3.702 118.218 114.554 -0.063 0.000 2.727 220 T HA 0.448 4.812 4.350 0.024 0.000 0.298 220 T C -0.239 174.414 174.700 -0.078 0.000 0.942 220 T CA -0.576 61.480 62.100 -0.073 0.000 0.997 220 T CB 0.558 69.401 68.868 -0.041 0.000 0.917 220 T HN 0.478 nan 8.240 nan 0.000 0.487 221 Q N 2.497 122.234 119.800 -0.105 0.000 2.565 221 Q HA 0.594 4.949 4.340 0.024 0.000 0.294 221 Q C -1.260 174.673 176.000 -0.112 0.000 1.005 221 Q CA -1.162 54.571 55.803 -0.117 0.000 0.771 221 Q CB 1.288 29.934 28.738 -0.154 0.000 1.486 221 Q HN 0.449 nan 8.270 nan 0.000 0.422 222 I N 2.484 122.968 120.570 -0.143 0.000 2.452 222 I HA 0.032 4.216 4.170 0.024 0.000 0.287 222 I C 0.737 176.759 176.117 -0.159 0.000 1.079 222 I CA 0.035 61.274 61.300 -0.103 0.000 1.387 222 I CB 1.110 39.014 38.000 -0.160 0.000 1.404 222 I HN 0.880 nan 8.210 nan 0.000 0.522 223 S N 2.604 118.316 115.700 0.020 0.000 2.511 223 S HA 0.214 4.698 4.470 0.024 0.000 0.214 223 S C 0.157 174.964 174.600 0.345 0.000 0.997 223 S CA -0.285 57.994 58.200 0.132 0.000 0.908 223 S CB 0.277 63.514 63.200 0.062 0.000 0.803 223 S HN 0.712 nan 8.310 nan 0.000 0.504 224 D N -0.196 120.408 120.400 0.341 0.000 2.683 224 D HA 0.521 5.175 4.640 0.024 0.000 0.246 224 D C -1.921 174.576 176.300 0.328 0.000 1.238 224 D CA -0.692 53.507 54.000 0.333 0.000 0.759 224 D CB 1.644 42.530 40.800 0.145 0.000 1.349 224 D HN 0.204 nan 8.370 nan 0.000 0.426 225 F N -0.729 119.316 119.950 0.158 0.000 2.650 225 F HA 0.570 5.111 4.527 0.024 0.000 0.310 225 F C -1.550 174.379 175.800 0.215 0.000 1.112 225 F CA -0.801 57.234 58.000 0.059 0.000 0.986 225 F CB 1.212 40.270 39.000 0.098 0.000 1.285 225 F HN 0.229 nan 8.300 nan 0.000 0.440 226 H N 2.035 121.183 119.070 0.130 0.000 2.547 226 H HA 0.732 5.302 4.556 0.024 0.000 0.342 226 H C -1.269 174.109 175.328 0.083 0.000 1.048 226 H CA -1.460 54.601 56.048 0.021 0.000 1.204 226 H CB 2.611 32.368 29.762 -0.009 0.000 1.493 226 H HN 0.592 nan 8.280 nan 0.000 0.511 227 V N 2.504 122.526 119.914 0.179 0.000 2.448 227 V HA 0.633 4.767 4.120 0.024 0.000 0.295 227 V C -0.189 175.902 176.094 -0.004 0.000 1.025 227 V CA -0.563 61.792 62.300 0.093 0.000 0.859 227 V CB 1.295 33.171 31.823 0.088 0.000 0.988 227 V HN 0.916 nan 8.190 nan 0.000 0.431 228 A N 3.340 126.135 122.820 -0.042 0.000 2.413 228 A HA 0.965 5.300 4.320 0.024 0.000 0.307 228 A C -0.144 177.338 177.584 -0.171 0.000 1.087 228 A CA -0.519 51.470 52.037 -0.080 0.000 0.750 228 A CB 1.999 20.974 19.000 -0.042 0.000 1.296 228 A HN 0.935 nan 8.150 nan 0.000 0.423 229 T N -0.164 114.271 114.554 -0.198 0.000 2.890 229 T HA 0.712 5.076 4.350 0.024 0.000 0.295 229 T C -0.554 173.938 174.700 -0.348 0.000 0.993 229 T CA -0.663 61.220 62.100 -0.362 0.000 0.979 229 T CB 0.910 69.452 68.868 -0.544 0.000 0.967 229 T HN 0.709 nan 8.240 nan 0.000 0.441 230 R N 1.923 122.144 120.500 -0.466 0.000 2.832 230 R HA 0.821 5.175 4.340 0.024 0.000 0.271 230 R C -1.197 174.714 176.300 -0.648 0.000 0.996 230 R CA -0.826 55.079 56.100 -0.325 0.000 0.977 230 R CB 1.633 31.857 30.300 -0.127 0.000 1.168 230 R HN 0.547 nan 8.270 nan 0.000 0.482 231 F N 0.103 120.033 119.950 -0.033 0.000 2.620 231 F HA 0.322 4.862 4.527 0.021 0.000 0.320 231 F C 0.457 176.125 175.800 -0.220 0.000 1.069 231 F CA -1.116 56.809 58.000 -0.124 0.000 0.953 231 F CB 1.028 39.853 39.000 -0.291 0.000 1.322 231 F HN 0.537 nan 8.300 nan 0.000 0.479 232 N N -0.058 118.625 118.700 -0.028 0.000 2.364 232 N HA 0.052 4.806 4.740 0.024 0.000 0.264 232 N C 0.448 175.812 175.510 -0.244 0.000 1.263 232 N CA -0.150 52.844 53.050 -0.094 0.000 0.959 232 N CB 0.101 38.560 38.487 -0.048 0.000 1.204 232 N HN 0.667 nan 8.380 nan 0.000 0.550 233 D N -1.512 118.793 120.400 -0.158 0.000 2.218 233 D HA -0.219 4.435 4.640 0.024 0.000 0.204 233 D C 0.172 176.378 176.300 -0.155 0.000 0.976 233 D CA 1.384 55.287 54.000 -0.161 0.000 0.853 233 D CB -0.499 40.271 40.800 -0.050 0.000 0.939 233 D HN 0.734 nan 8.370 nan 0.000 0.481 234 D N -1.630 118.727 120.400 -0.071 0.000 2.501 234 D HA 0.040 4.694 4.640 0.024 0.000 0.224 234 D C 0.047 176.497 176.300 0.250 0.000 1.202 234 D CA -0.985 53.088 54.000 0.121 0.000 0.829 234 D CB -0.974 39.898 40.800 0.120 0.000 1.023 234 D HN 0.154 nan 8.370 nan 0.000 0.499 235 F N 0.275 120.284 119.950 0.098 0.000 2.953 235 F HA -0.293 4.248 4.527 0.023 0.000 0.292 235 F C 1.688 177.575 175.800 0.145 0.000 0.747 235 F CA 0.798 58.873 58.000 0.126 0.000 1.222 235 F CB -2.527 36.445 39.000 -0.046 0.000 1.457 235 F HN 0.207 nan 8.300 nan 0.000 0.383 236 S N -1.121 114.685 115.700 0.177 0.000 2.528 236 S HA 0.204 4.688 4.470 0.024 0.000 0.219 236 S C 0.732 175.386 174.600 0.090 0.000 0.985 236 S CA 0.007 58.283 58.200 0.128 0.000 0.914 236 S CB 0.390 63.640 63.200 0.084 0.000 0.776 236 S HN 0.364 nan 8.310 nan 0.000 0.526 237 R N 0.541 121.096 120.500 0.092 0.000 2.673 237 R HA 0.814 5.168 4.340 0.024 0.000 0.281 237 R C -1.246 175.076 176.300 0.037 0.000 0.991 237 R CA -0.326 55.795 56.100 0.035 0.000 0.896 237 R CB 2.132 32.432 30.300 0.000 0.000 1.201 237 R HN 0.247 nan 8.270 nan 0.000 0.457 238 A N 1.517 124.304 122.820 -0.056 0.000 2.515 238 A HA 0.720 5.054 4.320 0.024 0.000 0.296 238 A C -1.171 176.328 177.584 -0.142 0.000 1.094 238 A CA -0.668 51.249 52.037 -0.199 0.000 0.718 238 A CB 2.139 20.994 19.000 -0.242 0.000 1.307 238 A HN 0.329 nan 8.150 nan 0.000 0.408 239 V N 1.491 121.294 119.914 -0.185 0.000 2.409 239 V HA 0.419 4.553 4.120 0.024 0.000 0.291 239 V C -0.470 175.558 176.094 -0.110 0.000 1.020 239 V CA -0.352 61.881 62.300 -0.111 0.000 0.848 239 V CB 1.352 33.113 31.823 -0.103 0.000 0.990 239 V HN 0.787 nan 8.190 nan 0.000 0.430 240 L N 4.689 125.887 121.223 -0.041 0.000 2.265 240 L HA 0.561 4.915 4.340 0.024 0.000 0.288 240 L C 0.054 176.884 176.870 -0.067 0.000 1.058 240 L CA 0.165 54.958 54.840 -0.077 0.000 0.809 240 L CB 0.904 42.954 42.059 -0.016 0.000 1.179 240 L HN 0.769 nan 8.230 nan 0.000 0.429 241 E N 4.303 124.459 120.200 -0.074 0.000 2.165 241 E HA 0.646 5.010 4.350 0.024 0.000 0.266 241 E C -1.353 175.240 176.600 -0.011 0.000 0.889 241 E CA -0.757 55.618 56.400 -0.040 0.000 0.756 241 E CB 1.617 31.294 29.700 -0.039 0.000 1.131 241 E HN 0.708 nan 8.360 nan 0.000 0.411 242 A N 4.655 127.476 122.820 0.002 0.000 2.310 242 A HA 0.295 4.629 4.320 0.024 0.000 0.304 242 A C -0.617 176.983 177.584 0.027 0.000 1.231 242 A CA -0.658 51.405 52.037 0.044 0.000 0.799 242 A CB 0.957 19.979 19.000 0.037 0.000 1.162 242 A HN 0.733 nan 8.150 nan 0.000 0.486 243 E N 2.646 122.868 120.200 0.036 0.000 2.200 243 E HA 0.527 4.891 4.350 0.024 0.000 0.283 243 E C -1.311 175.275 176.600 -0.024 0.000 1.015 243 E CA -0.330 56.051 56.400 -0.032 0.000 0.819 243 E CB 1.059 30.703 29.700 -0.094 0.000 1.081 243 E HN 0.364 nan 8.360 nan 0.000 0.397 244 V N 4.829 124.744 119.914 0.002 0.000 2.540 244 V HA 0.290 4.424 4.120 0.024 0.000 0.302 244 V C -0.439 175.745 176.094 0.150 0.000 1.035 244 V CA -0.790 61.563 62.300 0.088 0.000 0.873 244 V CB 1.729 33.586 31.823 0.056 0.000 0.992 244 V HN 0.761 nan 8.190 nan 0.000 0.428 245 Q N 3.830 123.713 119.800 0.138 0.000 2.348 245 Q HA 0.849 5.203 4.340 0.024 0.000 0.271 245 Q C -0.824 175.234 176.000 0.098 0.000 1.067 245 Q CA -0.926 54.946 55.803 0.116 0.000 0.839 245 Q CB 2.680 31.418 28.738 -0.001 0.000 1.354 245 Q HN 0.804 nan 8.270 nan 0.000 0.447 246 M N -1.091 118.454 119.600 -0.092 0.000 2.716 246 M HA 0.756 5.250 4.480 0.024 0.000 0.307 246 M C -1.331 174.853 176.300 -0.193 0.000 1.223 246 M CA -0.538 54.632 55.300 -0.217 0.000 0.871 246 M CB 1.537 33.792 32.600 -0.574 0.000 1.739 246 M HN 0.519 nan 8.290 nan 0.000 0.475 247 C N 0.648 119.853 119.300 -0.158 0.000 2.707 247 C HA 1.037 5.511 4.460 0.024 0.000 0.313 247 C C 0.536 175.443 174.990 -0.138 0.000 1.209 247 C CA 0.539 59.484 59.018 -0.121 0.000 1.635 247 C CB 1.015 28.714 27.740 -0.068 0.000 2.206 247 C HN 1.405 nan 8.230 nan 0.000 0.485 248 G N 1.732 110.462 108.800 -0.116 0.000 2.373 248 G HA2 0.066 4.040 3.960 0.024 0.000 0.634 248 G HA3 0.066 4.040 3.960 0.024 0.000 0.634 248 G C -1.078 173.750 174.900 -0.121 0.000 1.267 248 G CA -0.502 44.534 45.100 -0.106 0.000 1.008 248 G HN 0.961 nan 8.290 nan 0.000 0.497 249 E N -0.263 119.875 120.200 -0.103 0.000 2.290 249 E HA 0.472 4.837 4.350 0.024 0.000 0.277 249 E C 0.511 177.016 176.600 -0.160 0.000 1.035 249 E CA -0.546 55.790 56.400 -0.108 0.000 0.873 249 E CB 0.350 30.006 29.700 -0.073 0.000 1.029 249 E HN 0.498 nan 8.360 nan 0.000 0.419 250 L N 4.995 126.115 121.223 -0.170 0.000 2.397 250 L HA 0.375 4.729 4.340 0.024 0.000 0.271 250 L C 0.456 177.196 176.870 -0.216 0.000 1.148 250 L CA -0.209 54.505 54.840 -0.209 0.000 0.825 250 L CB 0.555 42.514 42.059 -0.166 0.000 1.117 250 L HN 0.548 nan 8.230 nan 0.000 0.456 251 R N 1.296 121.618 120.500 -0.298 0.000 2.668 251 R HA 0.183 4.537 4.340 0.024 0.000 0.272 251 R C -0.413 175.653 176.300 -0.389 0.000 1.019 251 R CA -0.788 55.044 56.100 -0.445 0.000 0.894 251 R CB 1.574 31.265 30.300 -1.016 0.000 1.228 251 R HN 0.526 nan 8.270 nan 0.000 0.460 252 D N 1.004 121.247 120.400 -0.262 0.000 2.309 252 D HA -0.127 4.528 4.640 0.024 0.000 0.212 252 D C 1.429 177.696 176.300 -0.055 0.000 0.968 252 D CA 1.480 55.416 54.000 -0.108 0.000 0.882 252 D CB 0.155 40.940 40.800 -0.026 0.000 0.918 252 D HN 0.552 nan 8.370 nan 0.000 0.503 253 Y N -0.274 120.038 120.300 0.020 0.000 2.529 253 Y HA 0.288 4.853 4.550 0.024 0.000 0.290 253 Y C 0.705 176.607 175.900 0.003 0.000 1.177 253 Y CA -0.524 57.583 58.100 0.013 0.000 1.305 253 Y CB -0.866 37.603 38.460 0.015 0.000 1.047 253 Y HN -0.206 nan 8.280 nan 0.000 0.522 254 L N 2.475 123.672 121.223 -0.042 0.000 2.417 254 L HA 0.370 4.724 4.340 0.024 0.000 0.268 254 L C 0.213 177.070 176.870 -0.022 0.000 1.158 254 L CA -0.260 54.611 54.840 0.050 0.000 0.819 254 L CB 0.572 42.682 42.059 0.085 0.000 1.112 254 L HN 0.133 nan 8.230 nan 0.000 0.458 255 R N 1.578 121.954 120.500 -0.207 0.000 2.774 255 R HA 0.666 5.020 4.340 0.024 0.000 0.272 255 R C -1.515 174.450 176.300 -0.559 0.000 1.000 255 R CA -0.782 55.041 56.100 -0.462 0.000 0.906 255 R CB 2.261 32.074 30.300 -0.812 0.000 1.227 255 R HN 0.269 nan 8.270 nan 0.000 0.468 256 V N 1.012 120.638 119.914 -0.479 0.000 2.604 256 V HA 0.513 4.647 4.120 0.024 0.000 0.305 256 V C -0.286 175.756 176.094 -0.086 0.000 1.043 256 V CA -0.536 61.585 62.300 -0.299 0.000 0.888 256 V CB 2.355 33.940 31.823 -0.397 0.000 0.995 256 V HN 0.719 nan 8.190 nan 0.000 0.429 257 T N 3.845 118.465 114.554 0.110 0.000 2.807 257 T HA 0.619 4.983 4.350 0.024 0.000 0.279 257 T C -0.661 174.057 174.700 0.030 0.000 0.993 257 T CA -0.363 61.803 62.100 0.111 0.000 0.970 257 T CB 1.659 70.624 68.868 0.161 0.000 0.950 257 T HN 0.340 nan 8.240 nan 0.000 0.441 258 V N 3.764 123.676 119.914 -0.003 0.000 2.448 258 V HA 0.688 4.822 4.120 0.024 0.000 0.295 258 V C -0.024 176.073 176.094 0.005 0.000 1.025 258 V CA -0.740 61.553 62.300 -0.010 0.000 0.859 258 V CB 1.727 33.530 31.823 -0.032 0.000 0.988 258 V HN 1.048 nan 8.190 nan 0.000 0.431 259 S N 5.343 121.076 115.700 0.054 0.000 2.536 259 S HA 0.859 5.343 4.470 0.024 0.000 0.298 259 S C -1.159 173.473 174.600 0.053 0.000 1.083 259 S CA -0.761 57.451 58.200 0.020 0.000 0.995 259 S CB 2.101 65.355 63.200 0.090 0.000 1.058 259 S HN 0.549 nan 8.310 nan 0.000 0.488 260 L N 2.484 123.628 121.223 -0.132 0.000 2.333 260 L HA 0.783 5.137 4.340 0.024 0.000 0.280 260 L C -1.942 174.823 176.870 -0.176 0.000 1.004 260 L CA -0.335 54.513 54.840 0.014 0.000 0.820 260 L CB 0.916 43.002 42.059 0.044 0.000 1.247 260 L HN 0.897 nan 8.230 nan 0.000 0.416 261 W N 3.584 124.989 121.300 0.175 0.000 2.666 261 W HA 0.633 5.307 4.660 0.023 0.000 0.334 261 W C -0.591 176.015 176.519 0.145 0.000 1.051 261 W CA -0.488 56.932 57.345 0.125 0.000 1.224 261 W CB 1.521 31.008 29.460 0.044 0.000 1.405 261 W HN 0.353 nan 8.180 nan 0.000 0.513 262 Q N 2.271 122.208 119.800 0.229 0.000 2.401 262 Q HA 0.516 4.870 4.340 0.024 0.000 0.260 262 Q C 0.529 176.545 176.000 0.027 0.000 1.034 262 Q CA 0.157 55.920 55.803 -0.068 0.000 0.737 262 Q CB 0.785 29.387 28.738 -0.226 0.000 1.227 262 Q HN 0.760 nan 8.270 nan 0.000 0.488 263 G N 3.685 112.500 108.800 0.026 0.000 2.622 263 G HA2 -0.348 3.627 3.960 0.024 0.000 0.307 263 G HA3 -0.348 3.627 3.960 0.024 0.000 0.307 263 G C 0.541 175.517 174.900 0.126 0.000 1.226 263 G CA 0.370 45.494 45.100 0.040 0.000 0.997 263 G HN 0.602 nan 8.290 nan 0.000 0.551 264 E N 1.111 121.381 120.200 0.115 0.000 2.479 264 E HA 0.140 4.505 4.350 0.024 0.000 0.193 264 E C 0.444 177.250 176.600 0.344 0.000 1.049 264 E CA 0.535 57.036 56.400 0.169 0.000 0.870 264 E CB 0.050 29.790 29.700 0.067 0.000 0.944 264 E HN 0.386 nan 8.360 nan 0.000 0.492 265 T N 1.065 115.784 114.554 0.276 0.000 2.806 265 T HA 0.122 4.486 4.350 0.024 0.000 0.290 265 T C -0.076 174.642 174.700 0.030 0.000 0.966 265 T CA -0.282 61.917 62.100 0.165 0.000 1.060 265 T CB 1.656 70.557 68.868 0.054 0.000 0.927 265 T HN 0.028 nan 8.240 nan 0.000 0.485 266 Q N 3.104 122.687 119.800 -0.361 0.000 2.307 266 Q HA 0.232 4.586 4.340 0.024 0.000 0.259 266 Q C 0.513 176.229 176.000 -0.473 0.000 0.998 266 Q CA -0.343 54.857 55.803 -1.005 0.000 0.923 266 Q CB 0.647 28.674 28.738 -1.185 0.000 1.196 266 Q HN 0.545 nan 8.270 nan 0.000 0.416 267 V N 3.114 122.811 119.914 -0.362 0.000 2.535 267 V HA 0.156 4.290 4.120 0.024 0.000 0.246 267 V C 0.409 176.397 176.094 -0.177 0.000 1.045 267 V CA 1.445 63.649 62.300 -0.160 0.000 1.058 267 V CB 0.125 31.953 31.823 0.010 0.000 0.689 267 V HN 0.821 nan 8.190 nan 0.000 0.461 268 A N -1.439 121.242 122.820 -0.232 0.000 2.601 268 A HA 0.762 5.096 4.320 0.024 0.000 0.291 268 A C -0.781 176.691 177.584 -0.188 0.000 1.075 268 A CA 0.056 51.992 52.037 -0.169 0.000 0.671 268 A CB 1.887 20.823 19.000 -0.107 0.000 1.277 268 A HN 0.081 nan 8.150 nan 0.000 0.417 269 S N -0.912 114.711 115.700 -0.129 0.000 2.542 269 S HA 0.752 5.236 4.470 0.024 0.000 0.276 269 S C -0.612 173.950 174.600 -0.064 0.000 1.148 269 S CA 0.255 58.395 58.200 -0.101 0.000 0.886 269 S CB 1.501 64.635 63.200 -0.110 0.000 1.109 269 S HN 2.353 nan 8.310 nan 0.000 0.458 270 G N 1.775 110.550 108.800 -0.042 0.000 2.706 270 G HA2 0.673 4.647 3.960 0.024 0.000 0.297 270 G HA3 0.673 4.647 3.960 0.024 0.000 0.297 270 G C -1.326 173.562 174.900 -0.020 0.000 1.403 270 G CA -0.426 44.653 45.100 -0.035 0.000 0.954 270 G HN 0.723 nan 8.290 nan 0.000 0.500 271 T N -0.294 114.251 114.554 -0.016 0.000 2.906 271 T HA 0.872 5.236 4.350 0.024 0.000 0.295 271 T C -0.362 174.308 174.700 -0.050 0.000 1.061 271 T CA -0.033 62.064 62.100 -0.003 0.000 1.000 271 T CB 1.904 70.810 68.868 0.064 0.000 1.103 271 T HN 1.576 nan 8.240 nan 0.000 0.486 272 A N 2.806 125.560 122.820 -0.111 0.000 2.612 272 A HA 0.902 5.236 4.320 0.024 0.000 0.293 272 A C -3.110 174.342 177.584 -0.221 0.000 1.075 272 A CA -1.534 50.422 52.037 -0.135 0.000 0.680 272 A CB 1.234 20.149 19.000 -0.141 0.000 1.279 272 A HN 0.537 nan 8.150 nan 0.000 0.411 273 P HA 0.546 nan 4.420 nan 0.000 0.278 273 P C -0.616 176.548 177.300 -0.227 0.000 1.266 273 P CA -0.305 62.696 63.100 -0.166 0.000 0.807 273 P CB 0.348 32.016 31.700 -0.053 0.000 1.094 274 F N -0.208 119.704 119.950 -0.064 0.000 2.450 274 F HA 0.470 5.010 4.527 0.023 0.000 0.339 274 F C 1.487 177.270 175.800 -0.029 0.000 1.146 274 F CA 1.509 59.481 58.000 -0.046 0.000 1.267 274 F CB 0.195 39.163 39.000 -0.052 0.000 1.178 274 F HN 0.563 nan 8.300 nan 0.000 0.585 275 G N 1.556 110.469 108.800 0.188 0.000 2.486 275 G HA2 0.372 4.346 3.960 0.024 0.000 0.220 275 G HA3 0.372 4.346 3.960 0.024 0.000 0.220 275 G C -0.500 174.450 174.900 0.084 0.000 1.313 275 G CA -0.703 44.466 45.100 0.115 0.000 1.187 275 G HN 1.033 nan 8.290 nan 0.000 0.599 276 G N 0.630 109.501 108.800 0.118 0.000 2.557 276 G HA2 0.718 4.692 3.960 0.024 0.000 0.292 276 G HA3 0.718 4.692 3.960 0.024 0.000 0.292 276 G C 0.425 175.369 174.900 0.074 0.000 1.237 276 G CA 0.013 45.172 45.100 0.099 0.000 0.978 276 G HN 1.122 nan 8.290 nan 0.000 0.498 277 E N -0.975 119.263 120.200 0.062 0.000 2.409 277 E HA 0.242 4.606 4.350 0.024 0.000 0.257 277 E C -0.043 176.584 176.600 0.046 0.000 1.150 277 E CA -0.614 55.811 56.400 0.042 0.000 0.942 277 E CB 0.865 30.585 29.700 0.034 0.000 0.979 277 E HN 0.315 nan 8.360 nan 0.000 0.447 278 I N 1.947 122.531 120.570 0.024 0.000 2.752 278 I HA -0.145 4.039 4.170 0.024 0.000 0.289 278 I C 0.681 176.811 176.117 0.022 0.000 1.197 278 I CA 0.091 61.398 61.300 0.012 0.000 1.432 278 I CB 0.238 38.240 38.000 0.003 0.000 1.359 278 I HN 0.629 nan 8.210 nan 0.000 0.571 279 I N 3.991 124.569 120.570 0.013 0.000 2.947 279 I HA 0.075 4.259 4.170 0.024 0.000 0.263 279 I C 0.584 176.706 176.117 0.007 0.000 1.130 279 I CA 1.038 62.356 61.300 0.030 0.000 1.448 279 I CB -0.804 37.220 38.000 0.041 0.000 1.222 279 I HN 0.687 nan 8.210 nan 0.000 0.453 280 D N -1.367 119.022 120.400 -0.019 0.000 2.921 280 D HA 0.128 4.783 4.640 0.024 0.000 0.329 280 D C 0.410 176.695 176.300 -0.025 0.000 1.293 280 D CA -0.409 53.581 54.000 -0.017 0.000 0.964 280 D CB 0.480 41.270 40.800 -0.017 0.000 1.435 280 D HN -0.260 nan 8.370 nan 0.000 0.548 281 E N -1.042 119.146 120.200 -0.021 0.000 2.267 281 E HA -0.047 4.317 4.350 0.024 0.000 0.197 281 E C 1.344 177.925 176.600 -0.031 0.000 0.998 281 E CA 0.944 57.331 56.400 -0.021 0.000 0.830 281 E CB -0.024 29.666 29.700 -0.016 0.000 0.751 281 E HN 0.200 nan 8.360 nan 0.000 0.491 282 R N -0.404 120.069 120.500 -0.045 0.000 2.317 282 R HA 0.281 4.635 4.340 0.024 0.000 0.208 282 R C 0.823 177.081 176.300 -0.069 0.000 0.914 282 R CA 0.716 56.783 56.100 -0.056 0.000 1.060 282 R CB 0.621 30.881 30.300 -0.066 0.000 1.015 282 R HN 0.215 nan 8.270 nan 0.000 0.498 283 G N -0.716 108.045 108.800 -0.066 0.000 2.358 283 G HA2 -0.072 3.902 3.960 0.024 0.000 0.198 283 G HA3 -0.072 3.902 3.960 0.024 0.000 0.198 283 G C -0.315 174.532 174.900 -0.088 0.000 1.220 283 G CA -0.617 44.444 45.100 -0.065 0.000 1.187 283 G HN 0.458 nan 8.290 nan 0.000 0.544 284 G N -1.988 106.755 108.800 -0.094 0.000 3.022 284 G HA2 0.646 4.621 3.960 0.024 0.000 0.284 284 G HA3 0.646 4.621 3.960 0.024 0.000 0.284 284 G C -1.628 173.175 174.900 -0.161 0.000 1.375 284 G CA -0.725 44.325 45.100 -0.085 0.000 0.902 284 G HN 0.775 nan 8.290 nan 0.000 0.538 285 Y N 1.042 121.352 120.300 0.017 0.000 2.477 285 Y HA 0.424 4.988 4.550 0.022 0.000 0.349 285 Y C 1.443 177.363 175.900 0.033 0.000 0.977 285 Y CA 0.133 58.245 58.100 0.020 0.000 1.214 285 Y CB 1.674 40.150 38.460 0.027 0.000 1.124 285 Y HN 0.548 nan 8.280 nan 0.000 0.521 286 A N 1.751 124.634 122.820 0.105 0.000 2.168 286 A HA -0.132 4.202 4.320 0.024 0.000 0.215 286 A C 1.340 178.985 177.584 0.102 0.000 1.152 286 A CA 1.333 53.422 52.037 0.085 0.000 0.716 286 A CB -0.288 18.723 19.000 0.019 0.000 0.794 286 A HN 0.788 nan 8.150 nan 0.000 0.465 287 D N -1.037 119.419 120.400 0.095 0.000 2.388 287 D HA 0.142 4.796 4.640 0.024 0.000 0.221 287 D C 0.501 176.858 176.300 0.094 0.000 1.133 287 D CA -0.042 53.922 54.000 -0.059 0.000 0.831 287 D CB 0.047 40.801 40.800 -0.076 0.000 0.962 287 D HN 0.367 nan 8.370 nan 0.000 0.502 288 R N -0.745 119.950 120.500 0.326 0.000 2.836 288 R HA 0.743 5.097 4.340 0.024 0.000 0.269 288 R C -1.635 174.841 176.300 0.294 0.000 1.010 288 R CA -1.111 55.187 56.100 0.331 0.000 0.930 288 R CB 3.065 33.416 30.300 0.086 0.000 1.218 288 R HN -0.026 nan 8.270 nan 0.000 0.473 289 V N 0.304 120.277 119.914 0.099 0.000 3.048 289 V HA 0.495 4.629 4.120 0.024 0.000 0.303 289 V C -1.507 174.544 176.094 -0.071 0.000 1.214 289 V CA -0.304 61.957 62.300 -0.066 0.000 0.984 289 V CB 2.771 34.405 31.823 -0.315 0.000 1.054 289 V HN 0.807 nan 8.190 nan 0.000 0.430 290 T N 7.213 121.732 114.554 -0.059 0.000 2.786 290 T HA 0.589 4.954 4.350 0.024 0.000 0.283 290 T C -0.935 173.731 174.700 -0.057 0.000 0.992 290 T CA -0.402 61.670 62.100 -0.047 0.000 0.954 290 T CB 1.041 69.894 68.868 -0.025 0.000 0.934 290 T HN 0.418 nan 8.240 nan 0.000 0.440 291 L N 3.768 124.958 121.223 -0.055 0.000 2.309 291 L HA 0.564 4.918 4.340 0.024 0.000 0.282 291 L C 0.451 177.297 176.870 -0.041 0.000 1.036 291 L CA -0.385 54.422 54.840 -0.054 0.000 0.806 291 L CB 1.309 43.333 42.059 -0.058 0.000 1.220 291 L HN 0.550 nan 8.230 nan 0.000 0.429 292 R N 4.547 125.022 120.500 -0.041 0.000 2.439 292 R HA 0.666 5.020 4.340 0.024 0.000 0.310 292 R C -1.130 175.145 176.300 -0.041 0.000 0.955 292 R CA -0.705 55.371 56.100 -0.040 0.000 0.853 292 R CB 1.997 32.273 30.300 -0.039 0.000 1.171 292 R HN 0.471 nan 8.270 nan 0.000 0.449 293 L N 2.869 124.068 121.223 -0.040 0.000 2.322 293 L HA 0.435 4.789 4.340 0.024 0.000 0.281 293 L C -0.129 176.716 176.870 -0.043 0.000 1.014 293 L CA -1.032 53.784 54.840 -0.041 0.000 0.815 293 L CB 1.664 43.702 42.059 -0.034 0.000 1.247 293 L HN 0.465 nan 8.230 nan 0.000 0.421 294 N N 2.286 120.955 118.700 -0.052 0.000 2.499 294 N HA 0.401 5.156 4.740 0.024 0.000 0.281 294 N C -0.892 174.572 175.510 -0.078 0.000 1.098 294 N CA -0.240 52.774 53.050 -0.060 0.000 0.979 294 N CB 2.694 41.148 38.487 -0.054 0.000 1.121 294 N HN 0.193 nan 8.380 nan 0.000 0.466 295 V N 2.211 122.063 119.914 -0.103 0.000 2.482 295 V HA 0.168 4.302 4.120 0.024 0.000 0.295 295 V C -0.195 175.813 176.094 -0.144 0.000 1.026 295 V CA -0.849 61.351 62.300 -0.167 0.000 0.856 295 V CB 1.952 33.567 31.823 -0.347 0.000 1.001 295 V HN 0.480 nan 8.190 nan 0.000 0.424 296 E N 3.108 123.248 120.200 -0.100 0.000 2.259 296 E HA 0.292 4.656 4.350 0.024 0.000 0.281 296 E C 0.250 176.822 176.600 -0.048 0.000 1.027 296 E CA -0.282 56.084 56.400 -0.057 0.000 0.838 296 E CB 0.615 30.294 29.700 -0.035 0.000 1.066 296 E HN 0.757 nan 8.360 nan 0.000 0.401 297 N N 1.190 119.885 118.700 -0.009 0.000 2.725 297 N HA -0.146 4.608 4.740 0.024 0.000 0.251 297 N C -2.472 173.038 175.510 -0.000 0.000 1.031 297 N CA 0.065 53.126 53.050 0.018 0.000 0.720 297 N CB -1.035 37.464 38.487 0.020 0.000 0.930 297 N HN 0.340 nan 8.380 nan 0.000 0.543 298 P HA -0.008 nan 4.420 nan 0.000 0.267 298 P C -0.397 176.936 177.300 0.055 0.000 1.200 298 P CA 0.420 63.421 63.100 -0.164 0.000 0.772 298 P CB 0.697 32.106 31.700 -0.485 0.000 0.855 299 K N 2.379 122.896 120.400 0.196 0.000 2.312 299 K HA 0.290 4.625 4.320 0.024 0.000 0.287 299 K C 0.184 176.952 176.600 0.281 0.000 1.062 299 K CA -0.395 56.008 56.287 0.192 0.000 0.934 299 K CB 0.206 32.796 32.500 0.150 0.000 1.027 299 K HN 0.411 nan 8.250 nan 0.000 0.478 300 L N 2.672 123.987 121.223 0.154 0.000 2.395 300 L HA 0.285 4.639 4.340 0.024 0.000 0.269 300 L C -0.048 176.904 176.870 0.136 0.000 1.133 300 L CA -0.755 54.175 54.840 0.150 0.000 0.812 300 L CB 0.426 42.421 42.059 -0.107 0.000 1.125 300 L HN 0.616 nan 8.230 nan 0.000 0.452 301 W N 3.291 124.628 121.300 0.061 0.000 2.376 301 W HA 0.479 5.152 4.660 0.022 0.000 0.322 301 W C -0.013 176.464 176.519 -0.070 0.000 1.160 301 W CA 0.099 57.466 57.345 0.036 0.000 1.218 301 W CB 1.310 30.840 29.460 0.117 0.000 1.205 301 W HN 0.621 nan 8.180 nan 0.000 0.559 302 S N 2.788 117.948 115.700 -0.900 0.000 2.643 302 S HA 0.644 5.128 4.470 0.024 0.000 0.270 302 S C 0.074 173.895 174.600 -1.298 0.000 1.166 302 S CA -0.371 57.345 58.200 -0.807 0.000 0.815 302 S CB 1.087 64.100 63.200 -0.312 0.000 1.139 302 S HN 0.985 nan 8.310 nan 0.000 0.472 303 A N 0.326 122.560 122.820 -0.977 0.000 2.066 303 A HA 0.085 4.419 4.320 0.024 0.000 0.218 303 A C 1.741 179.022 177.584 -0.505 0.000 1.157 303 A CA 1.316 52.804 52.037 -0.915 0.000 0.670 303 A CB -0.912 17.395 19.000 -1.154 0.000 0.804 303 A HN 0.852 nan 8.150 nan 0.000 0.453 304 E N -0.765 119.275 120.200 -0.265 0.000 2.072 304 E HA 0.043 4.407 4.350 0.024 0.000 0.190 304 E C -0.299 176.179 176.600 -0.203 0.000 0.982 304 E CA 0.718 57.027 56.400 -0.152 0.000 0.803 304 E CB 0.015 29.764 29.700 0.080 0.000 0.755 304 E HN 0.610 nan 8.360 nan 0.000 0.453 305 I N 1.550 121.972 120.570 -0.247 0.000 2.540 305 I HA 0.157 4.341 4.170 0.024 0.000 0.280 305 I C -2.550 173.358 176.117 -0.350 0.000 1.083 305 I CA -1.915 59.258 61.300 -0.213 0.000 1.080 305 I CB 2.420 40.346 38.000 -0.125 0.000 1.205 305 I HN -0.225 nan 8.210 nan 0.000 0.459 306 P HA 0.113 nan 4.420 nan 0.000 0.220 306 P C -0.669 176.610 177.300 -0.035 0.000 1.806 306 P CA -0.313 62.493 63.100 -0.489 0.000 0.976 306 P CB -0.205 31.368 31.700 -0.212 0.000 1.952 307 N N 1.927 120.638 118.700 0.018 0.000 2.447 307 N HA 0.116 4.870 4.740 0.024 0.000 0.263 307 N C 0.083 175.813 175.510 0.367 0.000 1.226 307 N CA 0.509 53.647 53.050 0.146 0.000 0.906 307 N CB 0.751 39.325 38.487 0.144 0.000 1.060 307 N HN 0.310 nan 8.380 nan 0.000 0.468 308 L N 2.355 123.726 121.223 0.247 0.000 2.370 308 L HA 0.478 4.832 4.340 0.024 0.000 0.266 308 L C -0.787 176.184 176.870 0.167 0.000 1.002 308 L CA -0.868 54.166 54.840 0.324 0.000 0.818 308 L CB 1.293 43.500 42.059 0.247 0.000 1.325 308 L HN 0.379 nan 8.230 nan 0.000 0.418 309 Y N 0.296 120.747 120.300 0.252 0.000 2.631 309 Y HA 0.673 5.237 4.550 0.024 0.000 0.328 309 Y C -0.180 175.842 175.900 0.203 0.000 1.118 309 Y CA -0.852 57.395 58.100 0.246 0.000 1.206 309 Y CB 1.623 40.289 38.460 0.344 0.000 1.337 309 Y HN 0.379 nan 8.280 nan 0.000 0.515 310 R N 0.924 121.662 120.500 0.396 0.000 2.480 310 R HA 0.800 5.155 4.340 0.024 0.000 0.306 310 R C -1.669 174.822 176.300 0.318 0.000 0.958 310 R CA -0.544 55.723 56.100 0.277 0.000 0.861 310 R CB 1.162 31.568 30.300 0.177 0.000 1.171 310 R HN 0.741 nan 8.270 nan 0.000 0.445 311 A N 3.858 126.808 122.820 0.217 0.000 2.276 311 A HA 0.616 4.950 4.320 0.024 0.000 0.316 311 A C -1.028 176.613 177.584 0.094 0.000 1.229 311 A CA -0.619 51.518 52.037 0.166 0.000 0.851 311 A CB 1.188 20.253 19.000 0.109 0.000 1.165 311 A HN 0.481 nan 8.150 nan 0.000 0.513 312 V N 3.593 123.571 119.914 0.106 0.000 2.448 312 V HA 0.386 4.521 4.120 0.024 0.000 0.295 312 V C -0.413 175.659 176.094 -0.036 0.000 1.025 312 V CA -0.481 61.825 62.300 0.010 0.000 0.859 312 V CB 1.658 33.503 31.823 0.037 0.000 0.988 312 V HN 0.624 nan 8.190 nan 0.000 0.431 313 V N 4.932 124.758 119.914 -0.148 0.000 2.334 313 V HA 0.437 4.571 4.120 0.024 0.000 0.281 313 V C -0.075 175.965 176.094 -0.089 0.000 1.016 313 V CA -0.571 61.621 62.300 -0.179 0.000 0.832 313 V CB 1.356 32.917 31.823 -0.437 0.000 0.999 313 V HN 0.913 nan 8.190 nan 0.000 0.439 314 E N 3.839 124.038 120.200 -0.001 0.000 2.171 314 E HA 0.517 4.882 4.350 0.024 0.000 0.271 314 E C -1.036 175.653 176.600 0.148 0.000 0.916 314 E CA -0.874 55.571 56.400 0.076 0.000 0.774 314 E CB 2.640 32.410 29.700 0.116 0.000 1.128 314 E HN 0.496 nan 8.360 nan 0.000 0.403 315 L N 4.576 125.867 121.223 0.114 0.000 2.272 315 L HA 0.394 4.748 4.340 0.024 0.000 0.289 315 L C -0.977 175.993 176.870 0.167 0.000 1.032 315 L CA 0.140 55.040 54.840 0.100 0.000 0.810 315 L CB 0.095 42.202 42.059 0.080 0.000 1.205 315 L HN 0.669 nan 8.230 nan 0.000 0.422 316 H N 0.271 119.382 119.070 0.069 0.000 2.933 316 H HA 0.787 5.357 4.556 0.024 0.000 0.310 316 H C -0.744 174.652 175.328 0.114 0.000 1.351 316 H CA -0.511 55.579 56.048 0.070 0.000 1.137 316 H CB 0.725 30.510 29.762 0.038 0.000 1.853 316 H HN 0.499 nan 8.280 nan 0.000 0.539 317 T N -2.211 112.487 114.554 0.240 0.000 2.927 317 T HA 0.539 4.904 4.350 0.024 0.000 0.281 317 T C 1.440 176.283 174.700 0.238 0.000 0.998 317 T CA -0.397 61.831 62.100 0.214 0.000 1.019 317 T CB 1.486 70.420 68.868 0.110 0.000 1.061 317 T HN 0.933 nan 8.240 nan 0.000 0.518 318 A N 1.211 124.139 122.820 0.180 0.000 1.978 318 A HA -0.121 4.213 4.320 0.024 0.000 0.220 318 A C 1.819 179.476 177.584 0.121 0.000 1.170 318 A CA 1.968 54.094 52.037 0.149 0.000 0.636 318 A CB -1.209 17.867 19.000 0.126 0.000 0.810 318 A HN 1.003 nan 8.150 nan 0.000 0.448 319 D N -2.385 118.059 120.400 0.075 0.000 2.371 319 D HA 0.258 4.912 4.640 0.024 0.000 0.221 319 D C 1.190 177.517 176.300 0.046 0.000 0.986 319 D CA 1.096 55.117 54.000 0.035 0.000 0.899 319 D CB -0.507 40.286 40.800 -0.011 0.000 0.902 319 D HN 0.848 nan 8.370 nan 0.000 0.530 320 G N -1.116 107.745 108.800 0.101 0.000 2.179 320 G HA2 -0.224 3.750 3.960 0.024 0.000 0.220 320 G HA3 -0.224 3.750 3.960 0.024 0.000 0.220 320 G C 0.231 175.149 174.900 0.030 0.000 0.990 320 G CA 0.105 45.228 45.100 0.039 0.000 0.646 320 G HN 0.422 nan 8.290 nan 0.000 0.517 321 T N 1.734 116.329 114.554 0.069 0.000 2.794 321 T HA 0.501 4.865 4.350 0.024 0.000 0.296 321 T C 0.341 175.098 174.700 0.095 0.000 0.949 321 T CA -0.182 61.948 62.100 0.050 0.000 1.101 321 T CB 1.906 70.791 68.868 0.029 0.000 0.905 321 T HN 0.552 nan 8.240 nan 0.000 0.516 322 L N 4.681 125.941 121.223 0.062 0.000 2.410 322 L HA 0.330 4.684 4.340 0.024 0.000 0.273 322 L C 0.764 177.685 176.870 0.085 0.000 1.152 322 L CA 0.376 55.268 54.840 0.086 0.000 0.855 322 L CB 0.088 42.171 42.059 0.039 0.000 1.129 322 L HN 0.704 nan 8.230 nan 0.000 0.463 323 I N 2.516 123.147 120.570 0.102 0.000 2.685 323 I HA 0.127 4.311 4.170 0.024 0.000 0.251 323 I C 0.285 176.427 176.117 0.041 0.000 1.102 323 I CA 0.430 61.771 61.300 0.067 0.000 1.442 323 I CB 0.160 38.203 38.000 0.071 0.000 1.194 323 I HN 0.810 nan 8.210 nan 0.000 0.448 324 E N 0.128 120.354 120.200 0.044 0.000 2.422 324 E HA 0.717 5.081 4.350 0.024 0.000 0.280 324 E C -1.476 175.151 176.600 0.044 0.000 1.091 324 E CA -1.106 55.312 56.400 0.031 0.000 0.849 324 E CB 1.733 31.417 29.700 -0.026 0.000 1.353 324 E HN -0.025 nan 8.360 nan 0.000 0.449 325 A N 0.931 123.801 122.820 0.084 0.000 2.414 325 A HA 0.702 5.036 4.320 0.024 0.000 0.306 325 A C -1.040 176.650 177.584 0.177 0.000 1.054 325 A CA -0.727 51.364 52.037 0.089 0.000 0.724 325 A CB 1.687 20.735 19.000 0.080 0.000 1.267 325 A HN 0.498 nan 8.150 nan 0.000 0.418 326 E N -0.344 119.896 120.200 0.067 0.000 2.339 326 E HA 0.847 5.211 4.350 0.024 0.000 0.262 326 E C -0.531 176.117 176.600 0.080 0.000 0.934 326 E CA -0.530 55.968 56.400 0.163 0.000 0.802 326 E CB 2.400 32.095 29.700 -0.008 0.000 1.275 326 E HN 1.201 nan 8.360 nan 0.000 0.427 327 A N -0.094 122.886 122.820 0.267 0.000 2.601 327 A HA 0.715 5.050 4.320 0.024 0.000 0.291 327 A C -1.128 176.655 177.584 0.333 0.000 1.075 327 A CA -0.429 51.694 52.037 0.143 0.000 0.671 327 A CB 0.736 19.741 19.000 0.008 0.000 1.277 327 A HN 0.848 nan 8.150 nan 0.000 0.417 328 C N -0.553 118.894 119.300 0.244 0.000 3.288 328 C HA 0.818 5.292 4.460 0.024 0.000 0.318 328 C C -1.276 173.813 174.990 0.164 0.000 1.356 328 C CA -0.944 58.221 59.018 0.245 0.000 1.359 328 C CB 1.142 29.046 27.740 0.273 0.000 1.688 328 C HN 0.817 nan 8.230 nan 0.000 0.467 329 D N 0.983 121.464 120.400 0.135 0.000 2.345 329 D HA 0.530 5.184 4.640 0.024 0.000 0.247 329 D C -0.383 175.972 176.300 0.092 0.000 1.108 329 D CA 0.218 54.297 54.000 0.133 0.000 0.894 329 D CB 1.818 42.700 40.800 0.135 0.000 1.203 329 D HN 0.536 nan 8.370 nan 0.000 0.430 330 V N 1.064 121.058 119.914 0.133 0.000 2.540 330 V HA 0.639 4.773 4.120 0.024 0.000 0.302 330 V C 0.538 176.699 176.094 0.112 0.000 1.035 330 V CA -0.842 61.484 62.300 0.044 0.000 0.873 330 V CB 2.069 33.901 31.823 0.014 0.000 0.992 330 V HN 0.610 nan 8.190 nan 0.000 0.428 331 G N 3.045 111.812 108.800 -0.055 0.000 2.487 331 G HA2 0.611 4.585 3.960 0.024 0.000 0.314 331 G HA3 0.611 4.585 3.960 0.024 0.000 0.314 331 G C -1.024 173.940 174.900 0.107 0.000 1.267 331 G CA -0.390 44.764 45.100 0.091 0.000 0.937 331 G HN 0.423 nan 8.290 nan 0.000 0.481 332 F N 4.041 124.182 119.950 0.317 0.000 2.462 332 F HA 0.444 4.985 4.527 0.023 0.000 0.360 332 F C 1.126 177.182 175.800 0.426 0.000 1.134 332 F CA -0.134 58.117 58.000 0.418 0.000 1.148 332 F CB 0.666 39.918 39.000 0.420 0.000 1.147 332 F HN 0.445 nan 8.300 nan 0.000 0.550 333 R N 3.048 123.833 120.500 0.475 0.000 2.629 333 R HA 0.408 4.762 4.340 0.024 0.000 0.266 333 R C -1.863 174.578 176.300 0.235 0.000 1.051 333 R CA -0.778 55.437 56.100 0.192 0.000 0.895 333 R CB 1.606 32.067 30.300 0.268 0.000 1.246 333 R HN 0.593 nan 8.270 nan 0.000 0.459 334 E N 2.219 122.458 120.200 0.064 0.000 2.187 334 E HA 0.484 4.848 4.350 0.024 0.000 0.268 334 E C -1.240 175.425 176.600 0.108 0.000 0.896 334 E CA -0.933 55.586 56.400 0.198 0.000 0.766 334 E CB 2.157 32.042 29.700 0.308 0.000 1.142 334 E HN 0.408 nan 8.360 nan 0.000 0.408 335 V N 5.393 125.368 119.914 0.102 0.000 2.409 335 V HA 0.570 4.704 4.120 0.024 0.000 0.291 335 V C -0.249 175.884 176.094 0.065 0.000 1.020 335 V CA -0.705 61.628 62.300 0.055 0.000 0.848 335 V CB 1.182 33.017 31.823 0.020 0.000 0.990 335 V HN 0.731 nan 8.190 nan 0.000 0.430 336 R N 4.147 124.682 120.500 0.058 0.000 2.680 336 R HA 0.749 5.103 4.340 0.024 0.000 0.269 336 R C -1.960 174.366 176.300 0.044 0.000 1.026 336 R CA -0.933 55.204 56.100 0.062 0.000 0.889 336 R CB 2.050 32.400 30.300 0.084 0.000 1.241 336 R HN 0.514 nan 8.270 nan 0.000 0.463 337 I N 1.378 121.975 120.570 0.045 0.000 2.336 337 I HA 0.335 4.519 4.170 0.024 0.000 0.292 337 I C -0.404 175.736 176.117 0.038 0.000 0.991 337 I CA -0.353 60.968 61.300 0.035 0.000 1.227 337 I CB 1.723 39.745 38.000 0.037 0.000 1.366 337 I HN 0.665 nan 8.210 nan 0.000 0.466 338 E N 5.875 126.093 120.200 0.031 0.000 2.275 338 E HA 0.222 4.586 4.350 0.024 0.000 0.270 338 E C -0.348 176.266 176.600 0.022 0.000 0.882 338 E CA -0.584 55.836 56.400 0.032 0.000 0.758 338 E CB 1.142 30.867 29.700 0.042 0.000 1.195 338 E HN 0.569 nan 8.360 nan 0.000 0.419 339 N N 2.974 121.687 118.700 0.021 0.000 2.725 339 N HA -0.240 4.514 4.740 0.024 0.000 0.249 339 N C 0.416 175.932 175.510 0.009 0.000 1.103 339 N CA 2.067 55.125 53.050 0.015 0.000 0.707 339 N CB -1.182 37.312 38.487 0.012 0.000 1.043 339 N HN 0.948 nan 8.380 nan 0.000 0.553 340 G N -2.337 106.469 108.800 0.010 0.000 2.176 340 G HA2 -0.270 3.704 3.960 0.024 0.000 0.253 340 G HA3 -0.270 3.704 3.960 0.024 0.000 0.253 340 G C -0.128 174.767 174.900 -0.008 0.000 0.979 340 G CA 0.435 45.537 45.100 0.003 0.000 0.641 340 G HN 0.456 nan 8.290 nan 0.000 0.530 341 L N 0.184 121.403 121.223 -0.008 0.000 2.365 341 L HA 0.689 5.043 4.340 0.024 0.000 0.273 341 L C 0.071 176.930 176.870 -0.018 0.000 1.000 341 L CA -1.328 53.499 54.840 -0.022 0.000 0.819 341 L CB 1.900 43.945 42.059 -0.023 0.000 1.284 341 L HN 0.090 nan 8.230 nan 0.000 0.418 342 L N 4.580 125.782 121.223 -0.036 0.000 2.315 342 L HA 0.406 4.760 4.340 0.024 0.000 0.283 342 L C -0.788 176.056 176.870 -0.042 0.000 1.089 342 L CA 0.492 55.310 54.840 -0.036 0.000 0.833 342 L CB 0.185 42.209 42.059 -0.058 0.000 1.170 342 L HN 0.389 nan 8.230 nan 0.000 0.442 343 L N 5.879 127.093 121.223 -0.015 0.000 2.334 343 L HA 0.556 4.910 4.340 0.024 0.000 0.273 343 L C -0.807 176.062 176.870 -0.002 0.000 1.013 343 L CA -0.867 53.970 54.840 -0.005 0.000 0.816 343 L CB 1.937 44.017 42.059 0.034 0.000 1.278 343 L HN 0.539 nan 8.230 nan 0.000 0.431 344 L N 3.427 124.656 121.223 0.010 0.000 2.349 344 L HA 0.486 4.840 4.340 0.024 0.000 0.278 344 L C -0.164 176.711 176.870 0.007 0.000 0.996 344 L CA -0.054 54.800 54.840 0.023 0.000 0.825 344 L CB 1.039 43.119 42.059 0.036 0.000 1.243 344 L HN 0.600 nan 8.230 nan 0.000 0.412 345 N N 4.009 122.567 118.700 -0.237 0.000 2.721 345 N HA -0.223 4.532 4.740 0.024 0.000 0.249 345 N C 0.919 176.027 175.510 -0.670 0.000 1.072 345 N CA 1.355 53.898 53.050 -0.846 0.000 0.710 345 N CB -1.346 36.581 38.487 -0.933 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -2.016 106.707 108.800 -0.128 0.000 2.184 346 G HA2 -0.355 3.619 3.960 0.024 0.000 0.264 346 G HA3 -0.355 3.619 3.960 0.024 0.000 0.264 346 G C -0.106 174.822 174.900 0.048 0.000 0.975 346 G CA 0.916 46.068 45.100 0.087 0.000 0.642 346 G HN 0.425 nan 8.290 nan 0.000 0.536 347 K N 0.601 121.019 120.400 0.031 0.000 2.259 347 K HA 0.564 4.898 4.320 0.024 0.000 0.252 347 K C -2.863 173.708 176.600 -0.050 0.000 0.936 347 K CA -2.364 53.905 56.287 -0.029 0.000 0.810 347 K CB 2.441 34.850 32.500 -0.152 0.000 1.143 347 K HN 0.040 nan 8.250 nan 0.000 0.427 348 P HA 0.233 nan 4.420 nan 0.000 0.282 348 P C -0.097 177.135 177.300 -0.113 0.000 1.262 348 P CA -0.297 62.755 63.100 -0.081 0.000 0.773 348 P CB 0.543 32.199 31.700 -0.074 0.000 0.879 349 L N 3.259 124.410 121.223 -0.119 0.000 2.453 349 L HA 0.291 4.645 4.340 0.024 0.000 0.261 349 L C 0.589 177.375 176.870 -0.140 0.000 1.179 349 L CA -0.599 54.159 54.840 -0.137 0.000 0.813 349 L CB 0.342 42.279 42.059 -0.203 0.000 1.110 349 L HN 0.259 nan 8.230 nan 0.000 0.466 350 L N 3.781 124.938 121.223 -0.109 0.000 2.388 350 L HA 0.420 4.775 4.340 0.024 0.000 0.267 350 L C -0.540 176.283 176.870 -0.079 0.000 0.995 350 L CA -0.180 54.579 54.840 -0.134 0.000 0.864 350 L CB 0.853 42.860 42.059 -0.087 0.000 1.216 350 L HN 0.250 nan 8.230 nan 0.000 0.430 351 I N 4.924 125.384 120.570 -0.183 0.000 2.379 351 I HA 0.217 4.401 4.170 0.024 0.000 0.290 351 I C 0.531 176.610 176.117 -0.063 0.000 1.063 351 I CA 0.126 61.335 61.300 -0.151 0.000 1.351 351 I CB 0.548 38.333 38.000 -0.359 0.000 1.410 351 I HN 0.566 nan 8.210 nan 0.000 0.505 352 R N 4.756 125.307 120.500 0.084 0.000 2.937 352 R HA 0.450 4.804 4.340 0.024 0.000 0.264 352 R C 0.453 176.881 176.300 0.213 0.000 1.334 352 R CA -0.269 55.929 56.100 0.163 0.000 1.516 352 R CB 0.960 31.173 30.300 -0.145 0.000 1.187 352 R HN 0.785 nan 8.270 nan 0.000 0.609 353 G N 0.094 108.998 108.800 0.173 0.000 2.597 353 G HA2 0.619 4.593 3.960 0.024 0.000 0.317 353 G HA3 0.619 4.593 3.960 0.024 0.000 0.317 353 G C -1.348 173.858 174.900 0.510 0.000 1.230 353 G CA -0.468 44.730 45.100 0.164 0.000 0.996 353 G HN 0.229 nan 8.290 nan 0.000 0.490 354 V N -0.167 120.026 119.914 0.465 0.000 3.012 354 V HA 0.469 4.604 4.120 0.024 0.000 0.307 354 V C -1.243 175.004 176.094 0.255 0.000 1.166 354 V CA -1.200 61.269 62.300 0.282 0.000 0.974 354 V CB 2.244 33.951 31.823 -0.193 0.000 1.040 354 V HN 0.755 nan 8.190 nan 0.000 0.428 355 N N 4.211 122.981 118.700 0.117 0.000 2.499 355 N HA 0.440 5.194 4.740 0.024 0.000 0.281 355 N C -0.745 174.604 175.510 -0.268 0.000 1.098 355 N CA -0.293 52.692 53.050 -0.108 0.000 0.979 355 N CB 1.510 39.884 38.487 -0.188 0.000 1.121 355 N HN 0.638 nan 8.380 nan 0.000 0.466 356 R N 2.219 122.523 120.500 -0.326 0.000 2.514 356 R HA 0.218 4.572 4.340 0.024 0.000 0.296 356 R C -0.850 175.216 176.300 -0.390 0.000 1.012 356 R CA -0.555 55.370 56.100 -0.292 0.000 0.897 356 R CB 0.817 30.916 30.300 -0.335 0.000 1.184 356 R HN 0.587 nan 8.270 nan 0.000 0.440 357 H N 2.158 121.099 119.070 -0.215 0.000 2.547 357 H HA 0.103 4.674 4.556 0.024 0.000 0.362 357 H C -0.456 174.879 175.328 0.012 0.000 1.181 357 H CA 0.190 56.196 56.048 -0.070 0.000 1.376 357 H CB 1.326 31.107 29.762 0.032 0.000 1.488 357 H HN 0.556 nan 8.280 nan 0.000 0.583 358 E N 1.756 122.150 120.200 0.322 0.000 1.963 358 E HA 0.107 4.471 4.350 0.024 0.000 0.274 358 E C -0.737 176.022 176.600 0.265 0.000 1.061 358 E CA -0.044 56.473 56.400 0.194 0.000 0.847 358 E CB 0.268 30.095 29.700 0.212 0.000 1.083 358 E HN 0.379 nan 8.360 nan 0.000 0.402 359 H N 1.682 120.821 119.070 0.115 0.000 2.865 359 H HA 0.271 4.841 4.556 0.024 0.000 0.362 359 H C -1.682 173.709 175.328 0.105 0.000 1.114 359 H CA -0.676 55.435 56.048 0.105 0.000 1.208 359 H CB 1.092 30.907 29.762 0.089 0.000 1.727 359 H HN 0.393 nan 8.280 nan 0.000 0.534 360 H N 5.956 124.620 119.070 -0.677 0.000 2.667 360 H HA 0.232 4.802 4.556 0.023 0.000 0.353 360 H C -2.358 172.596 175.328 -0.622 0.000 1.072 360 H CA -2.453 53.346 56.048 -0.414 0.000 1.214 360 H CB 2.750 32.428 29.762 -0.140 0.000 1.600 360 H HN 0.532 nan 8.280 nan 0.000 0.527 361 P HA -0.043 nan 4.420 nan 0.000 0.223 361 P C 1.068 178.264 177.300 -0.174 0.000 1.151 361 P CA 0.736 63.676 63.100 -0.267 0.000 0.787 361 P CB 0.797 32.377 31.700 -0.198 0.000 0.788 362 L N -2.053 119.184 121.223 0.025 0.000 2.467 362 L HA 0.160 4.514 4.340 0.024 0.000 0.213 362 L C 1.986 178.631 176.870 -0.375 0.000 1.053 362 L CA 0.611 55.319 54.840 -0.219 0.000 0.847 362 L CB -0.786 41.044 42.059 -0.382 0.000 1.075 362 L HN -0.035 nan 8.230 nan 0.000 0.479 363 H N -0.243 118.832 119.070 0.009 0.000 2.551 363 H HA 0.325 4.895 4.556 0.023 0.000 0.271 363 H C 1.418 176.646 175.328 -0.167 0.000 0.984 363 H CA 0.273 56.210 56.048 -0.186 0.000 1.164 363 H CB 0.421 29.960 29.762 -0.370 0.000 1.437 363 H HN 0.352 nan 8.280 nan 0.000 0.550 364 G N 1.397 110.111 108.800 -0.144 0.000 2.557 364 G HA2 -0.397 3.577 3.960 0.024 0.000 0.292 364 G HA3 -0.397 3.577 3.960 0.024 0.000 0.292 364 G C 0.706 175.526 174.900 -0.132 0.000 1.162 364 G CA 0.410 45.379 45.100 -0.219 0.000 0.964 364 G HN 0.464 nan 8.290 nan 0.000 0.541 365 Q N -0.099 119.651 119.800 -0.083 0.000 2.220 365 Q HA 0.471 4.825 4.340 0.024 0.000 0.205 365 Q C 0.303 176.409 176.000 0.175 0.000 0.865 365 Q CA -0.131 55.670 55.803 -0.003 0.000 0.960 365 Q CB 1.302 29.920 28.738 -0.199 0.000 1.097 365 Q HN 0.366 nan 8.270 nan 0.000 0.493 366 V N 2.128 122.118 119.914 0.127 0.000 2.488 366 V HA 0.168 4.302 4.120 0.024 0.000 0.277 366 V C 0.151 176.290 176.094 0.075 0.000 1.046 366 V CA 0.149 62.523 62.300 0.123 0.000 0.986 366 V CB 0.924 32.755 31.823 0.013 0.000 0.989 366 V HN 0.329 nan 8.190 nan 0.000 0.475 367 M N 5.635 125.284 119.600 0.082 0.000 2.404 367 M HA 0.489 4.983 4.480 0.024 0.000 0.338 367 M C -0.414 175.831 176.300 -0.091 0.000 1.150 367 M CA -0.445 54.858 55.300 0.003 0.000 1.016 367 M CB 1.759 34.340 32.600 -0.032 0.000 1.672 367 M HN 0.823 nan 8.290 nan 0.000 0.448 368 D N 0.642 120.998 120.400 -0.073 0.000 2.490 368 D HA 0.222 4.876 4.640 0.024 0.000 0.232 368 D C 0.128 176.401 176.300 -0.045 0.000 1.053 368 D CA -0.455 53.500 54.000 -0.074 0.000 0.914 368 D CB 1.939 42.709 40.800 -0.050 0.000 1.431 368 D HN 0.713 nan 8.370 nan 0.000 0.483 369 E N -0.298 119.886 120.200 -0.026 0.000 2.085 369 E HA -0.257 4.107 4.350 0.024 0.000 0.194 369 E C 1.394 178.032 176.600 0.063 0.000 0.994 369 E CA 1.428 57.842 56.400 0.024 0.000 0.801 369 E CB 0.220 29.948 29.700 0.047 0.000 0.743 369 E HN 0.269 nan 8.360 nan 0.000 0.453 370 Q N -0.066 119.772 119.800 0.064 0.000 2.084 370 Q HA -0.105 4.249 4.340 0.024 0.000 0.202 370 Q C 2.208 178.267 176.000 0.099 0.000 0.978 370 Q CA 1.969 57.821 55.803 0.082 0.000 0.844 370 Q CB -0.746 28.040 28.738 0.081 0.000 0.898 370 Q HN 0.286 nan 8.270 nan 0.000 0.426 371 T N 0.599 115.222 114.554 0.115 0.000 2.821 371 T HA -0.062 4.302 4.350 0.024 0.000 0.267 371 T C 1.872 176.653 174.700 0.135 0.000 1.046 371 T CA 1.109 63.294 62.100 0.142 0.000 1.139 371 T CB -0.121 68.866 68.868 0.198 0.000 0.871 371 T HN 0.211 nan 8.240 nan 0.000 0.454 372 M N 0.587 120.266 119.600 0.131 0.000 2.086 372 M HA -0.098 4.396 4.480 0.024 0.000 0.261 372 M C 2.471 178.884 176.300 0.188 0.000 1.067 372 M CA 1.381 56.821 55.300 0.234 0.000 1.116 372 M CB -0.639 32.125 32.600 0.273 0.000 1.348 372 M HN 0.096 nan 8.290 nan 0.000 0.407 373 V N 0.274 120.241 119.914 0.087 0.000 2.343 373 V HA -0.307 3.827 4.120 0.024 0.000 0.247 373 V C 2.324 178.402 176.094 -0.026 0.000 1.051 373 V CA 2.086 64.371 62.300 -0.026 0.000 1.036 373 V CB -0.896 30.947 31.823 0.033 0.000 0.654 373 V HN 0.566 nan 8.190 nan 0.000 0.451 374 Q N -0.288 119.548 119.800 0.060 0.000 2.096 374 Q HA -0.269 4.085 4.340 0.024 0.000 0.204 374 Q C 1.988 178.061 176.000 0.122 0.000 0.982 374 Q CA 2.150 58.006 55.803 0.089 0.000 0.850 374 Q CB -0.134 28.672 28.738 0.114 0.000 0.901 374 Q HN 0.625 nan 8.270 nan 0.000 0.422 375 D N 0.323 120.812 120.400 0.148 0.000 2.097 375 D HA -0.148 4.507 4.640 0.024 0.000 0.195 375 D C 1.938 178.194 176.300 -0.072 0.000 0.989 375 D CA 1.143 55.228 54.000 0.143 0.000 0.827 375 D CB -0.209 40.647 40.800 0.093 0.000 0.966 375 D HN 0.357 nan 8.370 nan 0.000 0.456 376 I N 0.674 121.194 120.570 -0.083 0.000 2.163 376 I HA -0.247 3.937 4.170 0.024 0.000 0.243 376 I C 2.484 178.470 176.117 -0.218 0.000 1.085 376 I CA 0.692 61.840 61.300 -0.255 0.000 1.347 376 I CB -0.140 37.573 38.000 -0.479 0.000 1.044 376 I HN 0.001 nan 8.210 nan 0.000 0.408 377 L N 0.063 121.194 121.223 -0.155 0.000 2.017 377 L HA -0.239 4.115 4.340 0.024 0.000 0.208 377 L C 2.576 179.516 176.870 0.116 0.000 1.073 377 L CA 1.477 56.316 54.840 -0.002 0.000 0.745 377 L CB -0.561 41.520 42.059 0.036 0.000 0.894 377 L HN 0.284 nan 8.230 nan 0.000 0.432 378 L N -1.050 120.266 121.223 0.156 0.000 2.079 378 L HA -0.261 4.093 4.340 0.024 0.000 0.210 378 L C 2.668 179.710 176.870 0.287 0.000 1.081 378 L CA 1.308 56.327 54.840 0.299 0.000 0.752 378 L CB -0.315 42.051 42.059 0.512 0.000 0.896 378 L HN 0.298 nan 8.230 nan 0.000 0.433 379 M N -0.618 118.974 119.600 -0.013 0.000 2.059 379 M HA -0.247 4.247 4.480 0.024 0.000 0.259 379 M C 2.339 178.746 176.300 0.178 0.000 1.072 379 M CA 1.895 57.136 55.300 -0.099 0.000 1.117 379 M CB -0.348 31.971 32.600 -0.469 0.000 1.320 379 M HN 0.059 nan 8.290 nan 0.000 0.408 380 K N -0.018 120.383 120.400 0.002 0.000 2.063 380 K HA -0.212 4.122 4.320 0.024 0.000 0.208 380 K C 1.966 178.585 176.600 0.032 0.000 1.048 380 K CA 1.501 57.687 56.287 -0.168 0.000 0.928 380 K CB -0.305 31.920 32.500 -0.458 0.000 0.713 380 K HN 0.484 nan 8.250 nan 0.000 0.442 381 Q N 0.325 120.307 119.800 0.303 0.000 2.226 381 Q HA -0.064 4.290 4.340 0.024 0.000 0.204 381 Q C 0.943 177.259 176.000 0.526 0.000 0.975 381 Q CA 0.799 56.883 55.803 0.469 0.000 0.866 381 Q CB 0.073 29.050 28.738 0.399 0.000 0.915 381 Q HN 0.287 nan 8.270 nan 0.000 0.440 382 N N 0.575 119.536 118.700 0.435 0.000 2.279 382 N HA 0.042 4.796 4.740 0.024 0.000 0.226 382 N C -0.602 175.011 175.510 0.172 0.000 1.126 382 N CA 0.041 53.335 53.050 0.406 0.000 0.846 382 N CB 0.645 39.462 38.487 0.550 0.000 1.050 382 N HN 0.163 nan 8.380 nan 0.000 0.502 383 N N 0.132 118.949 118.700 0.194 0.000 2.776 383 N HA -0.184 4.570 4.740 0.024 0.000 0.250 383 N C -0.898 174.512 175.510 -0.166 0.000 1.112 383 N CA 0.764 53.871 53.050 0.097 0.000 0.733 383 N CB -1.776 36.683 38.487 -0.046 0.000 1.097 383 N HN 0.247 nan 8.380 nan 0.000 0.558 384 F N 0.999 120.978 119.950 0.048 0.000 2.375 384 F HA 0.314 4.855 4.527 0.023 0.000 0.333 384 F C 1.749 177.549 175.800 0.000 0.000 1.104 384 F CA -0.568 57.441 58.000 0.015 0.000 1.149 384 F CB 0.836 39.821 39.000 -0.025 0.000 1.190 384 F HN 0.049 nan 8.300 nan 0.000 0.533 385 N N 0.596 119.410 118.700 0.190 0.000 2.160 385 N HA 0.461 5.215 4.740 0.024 0.000 0.226 385 N C -0.848 174.712 175.510 0.084 0.000 1.256 385 N CA -0.035 53.057 53.050 0.070 0.000 0.890 385 N CB 0.794 39.358 38.487 0.130 0.000 1.116 385 N HN 0.488 nan 8.380 nan 0.000 0.517 386 A N -0.611 122.335 122.820 0.209 0.000 2.612 386 A HA 0.752 5.086 4.320 0.024 0.000 0.293 386 A C -1.839 175.974 177.584 0.382 0.000 1.075 386 A CA -0.696 51.532 52.037 0.317 0.000 0.680 386 A CB 1.714 20.929 19.000 0.359 0.000 1.279 386 A HN 0.250 nan 8.150 nan 0.000 0.411 387 V N 1.037 121.227 119.914 0.460 0.000 2.808 387 V HA 0.795 4.929 4.120 0.024 0.000 0.308 387 V C -0.640 175.601 176.094 0.245 0.000 1.099 387 V CA -0.657 61.865 62.300 0.370 0.000 0.920 387 V CB 1.858 33.828 31.823 0.246 0.000 1.014 387 V HN 1.153 nan 8.190 nan 0.000 0.425 388 R N 4.904 125.393 120.500 -0.018 0.000 2.393 388 R HA 0.493 4.847 4.340 0.024 0.000 0.310 388 R C -0.676 175.490 176.300 -0.225 0.000 0.968 388 R CA -0.460 55.434 56.100 -0.344 0.000 0.867 388 R CB 1.225 31.095 30.300 -0.717 0.000 1.124 388 R HN 0.799 nan 8.270 nan 0.000 0.450 389 C N 4.391 123.585 119.300 -0.178 0.000 3.183 389 C HA 0.111 4.585 4.460 0.024 0.000 0.545 389 C C 0.509 175.215 174.990 -0.474 0.000 1.044 389 C CA -0.417 58.447 59.018 -0.255 0.000 1.117 389 C CB -2.117 25.590 27.740 -0.055 0.000 1.393 389 C HN 0.733 nan 8.230 nan 0.000 0.611 390 S N 1.442 116.730 115.700 -0.686 0.000 2.481 390 S HA 0.131 4.616 4.470 0.024 0.000 0.282 390 S C -0.149 173.523 174.600 -1.548 0.000 1.243 390 S CA 0.296 57.792 58.200 -1.173 0.000 1.078 390 S CB 0.052 62.519 63.200 -1.223 0.000 0.916 390 S HN 0.728 nan 8.310 nan 0.000 0.495 391 H N 3.823 122.268 119.070 -1.042 0.000 2.439 391 H HA 0.328 4.897 4.556 0.023 0.000 0.228 391 H C -1.203 174.001 175.328 -0.207 0.000 1.423 391 H CA -0.357 55.477 56.048 -0.357 0.000 1.386 391 H CB -0.057 29.699 29.762 -0.012 0.000 1.641 391 H HN 0.892 nan 8.280 nan 0.000 0.508 392 Y N -2.482 117.921 120.300 0.172 0.000 2.765 392 Y HA 0.361 4.925 4.550 0.024 0.000 0.350 392 Y C -3.309 172.699 175.900 0.181 0.000 1.196 392 Y CA -2.966 55.245 58.100 0.186 0.000 1.119 392 Y CB 0.008 38.583 38.460 0.192 0.000 1.368 392 Y HN -0.036 nan 8.280 nan 0.000 0.463 393 P HA 0.155 nan 4.420 nan 0.000 0.268 393 P C -0.617 176.970 177.300 0.478 0.000 1.204 393 P CA 0.166 63.516 63.100 0.417 0.000 0.768 393 P CB 0.574 32.451 31.700 0.295 0.000 0.842 394 N N 0.610 119.614 118.700 0.507 0.000 2.447 394 N HA 0.093 4.847 4.740 0.024 0.000 0.271 394 N C 0.126 175.890 175.510 0.424 0.000 1.226 394 N CA -0.598 52.672 53.050 0.366 0.000 0.980 394 N CB 0.372 38.889 38.487 0.049 0.000 1.206 394 N HN 0.600 nan 8.380 nan 0.000 0.558 395 H N 2.162 121.345 119.070 0.188 0.000 3.038 395 H HA -0.019 4.551 4.556 0.023 0.000 0.338 395 H C -1.591 173.911 175.328 0.290 0.000 1.041 395 H CA -0.630 55.514 56.048 0.160 0.000 1.394 395 H CB 0.960 30.781 29.762 0.098 0.000 1.357 395 H HN 0.440 nan 8.280 nan 0.000 0.600 396 P HA -0.208 nan 4.420 nan 0.000 0.217 396 P C 1.830 179.445 177.300 0.524 0.000 1.148 396 P CA 0.781 64.132 63.100 0.419 0.000 0.828 396 P CB 0.210 32.010 31.700 0.167 0.000 0.783 397 L N -1.026 120.581 121.223 0.640 0.000 2.201 397 L HA -0.041 4.313 4.340 0.024 0.000 0.212 397 L C 2.415 179.446 176.870 0.268 0.000 1.105 397 L CA 1.354 56.418 54.840 0.375 0.000 0.775 397 L CB -1.414 40.792 42.059 0.246 0.000 0.913 397 L HN 0.023 nan 8.230 nan 0.000 0.440 398 W N -0.517 120.810 121.300 0.045 0.000 2.321 398 W HA -0.337 4.337 4.660 0.023 0.000 0.306 398 W C 2.036 178.405 176.519 -0.249 0.000 1.217 398 W CA 1.912 59.154 57.345 -0.172 0.000 1.257 398 W CB -0.354 28.911 29.460 -0.326 0.000 1.145 398 W HN 0.269 nan 8.180 nan 0.000 0.509 399 Y N 0.826 121.051 120.300 -0.126 0.000 2.242 399 Y HA -0.213 4.351 4.550 0.023 0.000 0.291 399 Y C 2.852 178.538 175.900 -0.356 0.000 1.137 399 Y CA 2.176 59.994 58.100 -0.470 0.000 1.181 399 Y CB -1.222 36.624 38.460 -1.023 0.000 0.989 399 Y HN -0.218 nan 8.280 nan 0.000 0.527 400 T N 0.762 115.332 114.554 0.027 0.000 2.684 400 T HA -0.191 4.173 4.350 0.024 0.000 0.267 400 T C 1.991 176.731 174.700 0.066 0.000 1.036 400 T CA 1.558 63.749 62.100 0.152 0.000 1.148 400 T CB -0.590 68.401 68.868 0.205 0.000 0.863 400 T HN 0.246 nan 8.240 nan 0.000 0.436 401 L N 0.277 121.491 121.223 -0.016 0.000 2.093 401 L HA -0.087 4.267 4.340 0.024 0.000 0.208 401 L C 2.888 179.735 176.870 -0.037 0.000 1.085 401 L CA 0.866 55.720 54.840 0.023 0.000 0.755 401 L CB -0.701 41.328 42.059 -0.050 0.000 0.904 401 L HN 0.377 nan 8.230 nan 0.000 0.435 402 C N -0.220 118.883 119.300 -0.329 0.000 2.440 402 C HA -0.134 4.340 4.460 0.024 0.000 0.278 402 C C 2.409 177.438 174.990 0.065 0.000 1.295 402 C CA 0.406 59.269 59.018 -0.259 0.000 1.738 402 C CB -0.759 26.710 27.740 -0.452 0.000 1.987 402 C HN 0.536 nan 8.230 nan 0.000 0.492 403 D N 0.415 120.863 120.400 0.080 0.000 2.117 403 D HA -0.096 4.558 4.640 0.024 0.000 0.197 403 D C 2.403 178.908 176.300 0.342 0.000 0.987 403 D CA 1.205 55.330 54.000 0.209 0.000 0.829 403 D CB -0.315 40.574 40.800 0.148 0.000 0.961 403 D HN 0.525 nan 8.370 nan 0.000 0.460 404 R N -1.195 119.404 120.500 0.166 0.000 2.140 404 R HA 0.053 4.407 4.340 0.024 0.000 0.213 404 R C 1.933 178.195 176.300 -0.063 0.000 1.059 404 R CA 0.351 56.483 56.100 0.054 0.000 1.000 404 R CB -0.024 30.239 30.300 -0.061 0.000 0.910 404 R HN 0.257 nan 8.270 nan 0.000 0.455 405 Y N -0.035 120.278 120.300 0.022 0.000 2.448 405 Y HA 0.179 4.743 4.550 0.023 0.000 0.289 405 Y C 0.953 176.789 175.900 -0.107 0.000 1.114 405 Y CA 0.801 58.888 58.100 -0.022 0.000 1.235 405 Y CB 0.809 39.225 38.460 -0.073 0.000 1.045 405 Y HN 0.209 nan 8.280 nan 0.000 0.554 406 G N 1.172 110.008 108.800 0.060 0.000 2.780 406 G HA2 -0.137 3.837 3.960 0.024 0.000 0.364 406 G HA3 -0.137 3.837 3.960 0.024 0.000 0.364 406 G C -1.187 173.574 174.900 -0.232 0.000 1.045 406 G CA -0.575 44.436 45.100 -0.148 0.000 1.202 406 G HN 0.156 nan 8.290 nan 0.000 0.534 407 L N 0.971 122.131 121.223 -0.105 0.000 2.455 407 L HA 0.509 4.863 4.340 0.024 0.000 0.264 407 L C -0.019 176.852 176.870 0.002 0.000 0.968 407 L CA -1.307 53.425 54.840 -0.180 0.000 0.827 407 L CB 2.029 44.007 42.059 -0.137 0.000 1.317 407 L HN 0.453 nan 8.230 nan 0.000 0.407 408 Y N 1.732 122.168 120.300 0.228 0.000 2.359 408 Y HA 0.390 4.955 4.550 0.026 0.000 0.330 408 Y C 0.182 176.215 175.900 0.222 0.000 1.143 408 Y CA -0.720 57.547 58.100 0.278 0.000 1.318 408 Y CB 1.329 39.932 38.460 0.238 0.000 1.234 408 Y HN 0.155 nan 8.280 nan 0.000 0.522 409 V N 4.299 124.402 119.914 0.315 0.000 2.604 409 V HA 0.307 4.441 4.120 0.024 0.000 0.305 409 V C -0.567 175.609 176.094 0.136 0.000 1.043 409 V CA -1.020 61.404 62.300 0.206 0.000 0.888 409 V CB 1.924 33.826 31.823 0.132 0.000 0.995 409 V HN 0.454 nan 8.190 nan 0.000 0.429 410 V N 3.234 123.192 119.914 0.074 0.000 2.333 410 V HA 0.318 4.452 4.120 0.024 0.000 0.274 410 V C -0.286 175.844 176.094 0.059 0.000 1.028 410 V CA -0.333 61.962 62.300 -0.009 0.000 0.851 410 V CB 1.397 33.102 31.823 -0.196 0.000 1.000 410 V HN 0.885 nan 8.190 nan 0.000 0.456 411 D N 4.199 124.677 120.400 0.131 0.000 2.249 411 D HA 0.335 4.989 4.640 0.024 0.000 0.246 411 D C -0.258 176.242 176.300 0.332 0.000 1.114 411 D CA -0.105 54.072 54.000 0.295 0.000 0.854 411 D CB 1.305 42.326 40.800 0.368 0.000 1.132 411 D HN 0.692 nan 8.370 nan 0.000 0.461 412 E N 2.004 122.365 120.200 0.268 0.000 2.199 412 E HA 0.617 4.981 4.350 0.024 0.000 0.265 412 E C -1.075 175.668 176.600 0.240 0.000 0.882 412 E CA -1.052 55.490 56.400 0.236 0.000 0.759 412 E CB 1.330 31.121 29.700 0.153 0.000 1.148 412 E HN 0.459 nan 8.360 nan 0.000 0.412 413 A N 3.941 126.894 122.820 0.221 0.000 2.483 413 A HA 0.060 4.394 4.320 0.024 0.000 0.238 413 A C 0.320 178.031 177.584 0.210 0.000 1.070 413 A CA -0.213 51.933 52.037 0.181 0.000 0.770 413 A CB 0.127 19.198 19.000 0.118 0.000 1.008 413 A HN 0.705 nan 8.150 nan 0.000 0.497 414 N N 1.455 120.286 118.700 0.219 0.000 2.971 414 N HA 0.240 4.994 4.740 0.024 0.000 0.294 414 N C -1.018 174.622 175.510 0.216 0.000 1.210 414 N CA 0.280 53.492 53.050 0.270 0.000 1.157 414 N CB -0.826 37.823 38.487 0.268 0.000 1.450 414 N HN 0.480 nan 8.380 nan 0.000 0.527 415 I N 1.150 121.842 120.570 0.203 0.000 2.497 415 I HA 0.262 4.447 4.170 0.024 0.000 0.284 415 I C -0.638 175.582 176.117 0.172 0.000 1.060 415 I CA -0.617 60.785 61.300 0.170 0.000 1.071 415 I CB 1.779 39.853 38.000 0.122 0.000 1.216 415 I HN 0.276 nan 8.210 nan 0.000 0.442 416 E N 4.294 124.589 120.200 0.160 0.000 2.287 416 E HA 0.378 4.742 4.350 0.024 0.000 0.274 416 E C -0.648 176.013 176.600 0.102 0.000 0.896 416 E CA -0.493 55.973 56.400 0.109 0.000 0.788 416 E CB 1.683 31.432 29.700 0.081 0.000 1.244 416 E HN 0.580 nan 8.360 nan 0.000 0.408 417 T N 0.634 115.240 114.554 0.086 0.000 3.415 417 T HA 0.164 4.528 4.350 0.024 0.000 0.282 417 T C 0.859 175.605 174.700 0.078 0.000 1.007 417 T CA -0.319 61.858 62.100 0.128 0.000 0.958 417 T CB -0.304 68.624 68.868 0.100 0.000 1.171 417 T HN 0.672 nan 8.240 nan 0.000 0.500 418 H N 1.157 120.137 119.070 -0.149 0.000 2.390 418 H HA -0.060 4.511 4.556 0.025 0.000 0.298 418 H C 2.286 177.495 175.328 -0.199 0.000 1.106 418 H CA 1.334 57.271 56.048 -0.185 0.000 1.297 418 H CB -0.161 29.453 29.762 -0.247 0.000 1.375 418 H HN 0.585 nan 8.280 nan 0.000 0.509 419 G N 0.095 108.758 108.800 -0.227 0.000 2.848 419 G HA2 -0.031 3.943 3.960 0.024 0.000 0.208 419 G HA3 -0.031 3.943 3.960 0.024 0.000 0.208 419 G C 0.448 175.472 174.900 0.207 0.000 1.152 419 G CA -0.161 44.838 45.100 -0.169 0.000 0.789 419 G HN 0.141 nan 8.290 nan 0.000 0.531 420 M N 0.303 120.064 119.600 0.269 0.000 2.198 420 M HA 0.331 4.826 4.480 0.024 0.000 0.315 420 M C -0.343 175.994 176.300 0.061 0.000 1.134 420 M CA -0.328 55.072 55.300 0.166 0.000 1.171 420 M CB 1.371 34.020 32.600 0.083 0.000 1.413 420 M HN -0.207 nan 8.290 nan 0.000 0.467 421 V N 3.549 123.475 119.914 0.021 0.000 2.482 421 V HA 0.367 4.501 4.120 0.024 0.000 0.295 421 V C -1.968 174.118 176.094 -0.014 0.000 1.026 421 V CA -1.273 61.025 62.300 -0.004 0.000 0.856 421 V CB 1.780 33.595 31.823 -0.013 0.000 1.001 421 V HN 0.737 nan 8.190 nan 0.000 0.424 422 P HA 0.259 nan 4.420 nan 0.000 0.277 422 P C 0.995 178.295 177.300 0.000 0.000 1.276 422 P CA -0.534 62.561 63.100 -0.009 0.000 0.788 422 P CB 1.077 32.773 31.700 -0.007 0.000 1.114 423 M N 0.539 120.144 119.600 0.007 0.000 2.267 423 M HA -0.166 4.328 4.480 0.024 0.000 0.263 423 M C 1.134 177.451 176.300 0.029 0.000 1.063 423 M CA 1.798 57.111 55.300 0.021 0.000 1.090 423 M CB -0.478 32.122 32.600 0.000 0.000 1.392 423 M HN 0.375 nan 8.290 nan 0.000 0.422 424 N N -0.134 118.583 118.700 0.029 0.000 2.313 424 N HA -0.062 4.692 4.740 0.024 0.000 0.207 424 N C 1.092 176.583 175.510 -0.033 0.000 1.141 424 N CA 0.099 53.167 53.050 0.029 0.000 0.830 424 N CB -0.730 37.792 38.487 0.059 0.000 1.008 424 N HN 0.360 nan 8.380 nan 0.000 0.481 425 R N 0.446 120.914 120.500 -0.053 0.000 2.103 425 R HA -0.015 4.339 4.340 0.024 0.000 0.242 425 R C 1.334 177.538 176.300 -0.160 0.000 1.142 425 R CA 1.358 57.405 56.100 -0.088 0.000 0.960 425 R CB -0.058 30.189 30.300 -0.090 0.000 0.858 425 R HN 0.299 nan 8.270 nan 0.000 0.439 426 L N -0.522 120.542 121.223 -0.265 0.000 2.202 426 L HA 0.011 4.365 4.340 0.024 0.000 0.205 426 L C 2.415 179.155 176.870 -0.216 0.000 1.083 426 L CA 1.252 55.818 54.840 -0.457 0.000 0.790 426 L CB -0.397 41.142 42.059 -0.867 0.000 0.942 426 L HN 0.362 nan 8.230 nan 0.000 0.452 427 T N -4.563 109.891 114.554 -0.167 0.000 3.035 427 T HA -0.133 4.232 4.350 0.024 0.000 0.268 427 T C 1.258 175.859 174.700 -0.164 0.000 1.109 427 T CA 0.950 62.930 62.100 -0.200 0.000 1.119 427 T CB -0.172 68.527 68.868 -0.281 0.000 0.900 427 T HN 0.080 nan 8.240 nan 0.000 0.503 428 D N 1.232 121.576 120.400 -0.093 0.000 2.339 428 D HA 0.098 4.752 4.640 0.024 0.000 0.217 428 D C -0.236 176.048 176.300 -0.026 0.000 1.050 428 D CA -0.143 53.817 54.000 -0.066 0.000 0.856 428 D CB -0.078 40.697 40.800 -0.040 0.000 0.922 428 D HN 0.323 nan 8.370 nan 0.000 0.518 429 D N -0.260 120.142 120.400 0.003 0.000 2.280 429 D HA 0.129 4.784 4.640 0.024 0.000 0.236 429 D C -1.711 174.643 176.300 0.091 0.000 1.082 429 D CA -2.196 51.846 54.000 0.070 0.000 0.834 429 D CB 2.100 42.990 40.800 0.151 0.000 1.100 429 D HN -0.035 nan 8.370 nan 0.000 0.486 430 P HA -0.064 nan 4.420 nan 0.000 0.223 430 P C 0.982 178.282 177.300 -0.001 0.000 1.151 430 P CA 0.608 63.716 63.100 0.013 0.000 0.787 430 P CB 0.388 32.086 31.700 -0.004 0.000 0.788 431 R N -1.560 118.945 120.500 0.009 0.000 2.237 431 R HA -0.076 4.278 4.340 0.024 0.000 0.219 431 R C 1.521 177.684 176.300 -0.228 0.000 1.080 431 R CA 1.090 57.127 56.100 -0.105 0.000 0.995 431 R CB -0.551 29.668 30.300 -0.134 0.000 0.875 431 R HN 0.315 nan 8.270 nan 0.000 0.462 432 W N 0.015 121.262 121.300 -0.089 0.000 3.278 432 W HA 0.128 4.801 4.660 0.022 0.000 0.308 432 W C 1.516 177.975 176.519 -0.100 0.000 1.253 432 W CA -0.470 56.821 57.345 -0.090 0.000 1.759 432 W CB 0.024 29.429 29.460 -0.091 0.000 1.093 432 W HN 0.023 nan 8.180 nan 0.000 0.648 433 L N 2.083 123.323 121.223 0.028 0.000 2.046 433 L HA -0.045 4.309 4.340 0.024 0.000 0.208 433 L C -0.706 176.124 176.870 -0.067 0.000 1.077 433 L CA 2.238 57.061 54.840 -0.028 0.000 0.747 433 L CB -1.626 40.408 42.059 -0.042 0.000 0.896 433 L HN -0.234 nan 8.230 nan 0.000 0.432 434 P HA -0.146 nan 4.420 nan 0.000 0.214 434 P C 1.635 178.876 177.300 -0.098 0.000 1.163 434 P CA 2.172 65.205 63.100 -0.112 0.000 0.883 434 P CB -0.236 31.388 31.700 -0.127 0.000 0.788 435 A N -1.054 121.718 122.820 -0.080 0.000 1.902 435 A HA -0.208 4.126 4.320 0.024 0.000 0.217 435 A C 2.238 179.834 177.584 0.019 0.000 1.181 435 A CA 2.004 54.030 52.037 -0.020 0.000 0.623 435 A CB -1.502 17.509 19.000 0.017 0.000 0.818 435 A HN 0.111 nan 8.150 nan 0.000 0.443 436 M N 0.187 119.807 119.600 0.034 0.000 2.132 436 M HA -0.146 4.348 4.480 0.024 0.000 0.263 436 M C 2.559 178.807 176.300 -0.087 0.000 1.065 436 M CA 1.715 57.013 55.300 -0.005 0.000 1.122 436 M CB -0.360 32.218 32.600 -0.036 0.000 1.365 436 M HN 0.672 nan 8.290 nan 0.000 0.411 437 S N 0.469 116.089 115.700 -0.134 0.000 2.370 437 S HA -0.193 4.291 4.470 0.024 0.000 0.226 437 S C 1.600 176.037 174.600 -0.271 0.000 1.033 437 S CA 1.503 59.558 58.200 -0.241 0.000 1.011 437 S CB -0.691 62.343 63.200 -0.276 0.000 0.852 437 S HN 0.524 nan 8.310 nan 0.000 0.457 438 E N 1.111 121.198 120.200 -0.189 0.000 2.160 438 E HA -0.121 4.243 4.350 0.024 0.000 0.195 438 E C 2.386 178.902 176.600 -0.140 0.000 0.991 438 E CA 0.990 57.285 56.400 -0.173 0.000 0.810 438 E CB -0.181 29.454 29.700 -0.108 0.000 0.742 438 E HN 0.595 nan 8.360 nan 0.000 0.466 439 R N 0.126 120.574 120.500 -0.088 0.000 2.115 439 R HA -0.054 4.300 4.340 0.024 0.000 0.226 439 R C 2.274 178.534 176.300 -0.067 0.000 1.100 439 R CA 0.636 56.715 56.100 -0.035 0.000 0.980 439 R CB 0.079 30.398 30.300 0.032 0.000 0.875 439 R HN 0.012 nan 8.270 nan 0.000 0.445 440 V N 0.142 119.970 119.914 -0.143 0.000 2.426 440 V HA -0.169 3.965 4.120 0.024 0.000 0.242 440 V C 2.478 178.392 176.094 -0.299 0.000 1.036 440 V CA 2.088 64.284 62.300 -0.173 0.000 1.044 440 V CB -0.210 31.503 31.823 -0.183 0.000 0.688 440 V HN 0.509 nan 8.190 nan 0.000 0.462 441 T N -0.693 113.559 114.554 -0.503 0.000 2.746 441 T HA -0.237 4.128 4.350 0.024 0.000 0.267 441 T C 1.939 176.475 174.700 -0.273 0.000 1.039 441 T CA 1.395 63.101 62.100 -0.656 0.000 1.142 441 T CB -0.401 67.885 68.868 -0.971 0.000 0.866 441 T HN 0.396 nan 8.240 nan 0.000 0.444 442 R N 0.225 120.593 120.500 -0.220 0.000 2.148 442 R HA 0.224 4.578 4.340 0.024 0.000 0.227 442 R C 2.614 178.838 176.300 -0.128 0.000 1.103 442 R CA 1.288 57.296 56.100 -0.152 0.000 0.983 442 R CB -0.428 29.791 30.300 -0.134 0.000 0.874 442 R HN 0.503 nan 8.270 nan 0.000 0.451 443 M N 0.440 119.972 119.600 -0.113 0.000 2.156 443 M HA -0.112 4.383 4.480 0.024 0.000 0.264 443 M C 1.778 178.010 176.300 -0.114 0.000 1.067 443 M CA 1.559 56.825 55.300 -0.058 0.000 1.131 443 M CB 0.172 32.778 32.600 0.009 0.000 1.368 443 M HN -0.037 nan 8.290 nan 0.000 0.416 444 V N 1.082 120.821 119.914 -0.291 0.000 2.343 444 V HA -0.272 3.862 4.120 0.024 0.000 0.247 444 V C 2.275 178.262 176.094 -0.177 0.000 1.051 444 V CA 1.926 63.932 62.300 -0.489 0.000 1.036 444 V CB -0.932 30.568 31.823 -0.538 0.000 0.654 444 V HN 0.584 nan 8.190 nan 0.000 0.451 445 Q N -0.620 119.113 119.800 -0.112 0.000 2.226 445 Q HA -0.225 4.129 4.340 0.024 0.000 0.204 445 Q C 2.456 178.369 176.000 -0.144 0.000 0.975 445 Q CA 1.476 57.218 55.803 -0.100 0.000 0.866 445 Q CB -0.166 28.530 28.738 -0.069 0.000 0.915 445 Q HN 0.534 nan 8.270 nan 0.000 0.440 446 R N 0.284 120.694 120.500 -0.149 0.000 2.080 446 R HA -0.087 4.267 4.340 0.024 0.000 0.222 446 R C 0.531 176.761 176.300 -0.117 0.000 1.107 446 R CA 1.279 57.268 56.100 -0.184 0.000 0.980 446 R CB 0.424 30.617 30.300 -0.178 0.000 0.879 446 R HN 0.136 nan 8.270 nan 0.000 0.439 447 D N -0.415 119.982 120.400 -0.006 0.000 2.398 447 D HA 0.005 4.659 4.640 0.024 0.000 0.210 447 D C 1.228 177.646 176.300 0.198 0.000 1.094 447 D CA 0.096 54.145 54.000 0.081 0.000 0.839 447 D CB 0.323 41.123 40.800 -0.000 0.000 0.963 447 D HN 0.350 nan 8.370 nan 0.000 0.506 448 R N 0.487 121.108 120.500 0.201 0.000 2.241 448 R HA 0.033 4.387 4.340 0.024 0.000 0.224 448 R C 0.727 177.034 176.300 0.012 0.000 1.101 448 R CA 0.811 57.049 56.100 0.229 0.000 0.995 448 R CB -0.256 30.115 30.300 0.118 0.000 0.870 448 R HN -0.093 nan 8.270 nan 0.000 0.463 449 N N 0.338 118.971 118.700 -0.112 0.000 2.336 449 N HA 0.005 4.759 4.740 0.024 0.000 0.189 449 N C -0.546 174.831 175.510 -0.223 0.000 1.113 449 N CA 0.227 53.179 53.050 -0.163 0.000 0.858 449 N CB 0.115 38.490 38.487 -0.187 0.000 0.970 449 N HN 0.284 nan 8.380 nan 0.000 0.471 450 H N 1.254 120.265 119.070 -0.099 0.000 2.620 450 H HA 0.117 4.686 4.556 0.023 0.000 0.313 450 H C -1.194 173.989 175.328 -0.242 0.000 1.075 450 H CA -1.287 54.686 56.048 -0.125 0.000 1.397 450 H CB 1.656 31.379 29.762 -0.065 0.000 1.446 450 H HN 0.039 nan 8.280 nan 0.000 0.493 451 P HA -0.143 nan 4.420 nan 0.000 0.219 451 P C 1.391 178.216 177.300 -0.791 0.000 1.150 451 P CA 1.044 63.789 63.100 -0.592 0.000 0.814 451 P CB 0.301 31.411 31.700 -0.983 0.000 0.787 452 S N -0.604 114.739 115.700 -0.596 0.000 2.419 452 S HA -0.051 4.433 4.470 0.024 0.000 0.233 452 S C 1.152 175.731 174.600 -0.035 0.000 1.016 452 S CA 0.426 58.473 58.200 -0.255 0.000 0.974 452 S CB -1.560 61.638 63.200 -0.004 0.000 0.786 452 S HN -0.055 nan 8.310 nan 0.000 0.492 453 V N 3.698 123.560 119.914 -0.086 0.000 2.446 453 V HA 0.211 4.345 4.120 0.024 0.000 0.276 453 V C 1.124 177.082 176.094 -0.226 0.000 1.030 453 V CA 0.076 62.288 62.300 -0.146 0.000 1.033 453 V CB 0.303 31.945 31.823 -0.301 0.000 0.993 453 V HN 0.638 nan 8.190 nan 0.000 0.477 454 I N 2.734 123.230 120.570 -0.124 0.000 4.187 454 I HA 0.506 4.691 4.170 0.024 0.000 0.326 454 I C 0.385 176.395 176.117 -0.179 0.000 1.302 454 I CA 0.555 61.789 61.300 -0.110 0.000 1.196 454 I CB 0.499 38.519 38.000 0.034 0.000 1.095 454 I HN 0.325 nan 8.210 nan 0.000 0.411 455 I N 0.174 120.617 120.570 -0.211 0.000 2.656 455 I HA 0.364 4.548 4.170 0.024 0.000 0.292 455 I C -1.522 174.500 176.117 -0.158 0.000 1.144 455 I CA -0.393 60.826 61.300 -0.136 0.000 1.038 455 I CB 2.021 40.033 38.000 0.019 0.000 1.244 455 I HN 0.025 nan 8.210 nan 0.000 0.420 456 W N 3.871 125.223 121.300 0.087 0.000 2.449 456 W HA 0.643 5.315 4.660 0.020 0.000 0.331 456 W C 0.410 176.999 176.519 0.116 0.000 1.119 456 W CA -0.579 56.824 57.345 0.097 0.000 1.240 456 W CB 1.680 31.192 29.460 0.087 0.000 1.251 456 W HN 0.324 nan 8.180 nan 0.000 0.576 457 S N 2.309 118.252 115.700 0.405 0.000 2.513 457 S HA 0.428 4.912 4.470 0.024 0.000 0.299 457 S C 0.046 174.821 174.600 0.292 0.000 1.087 457 S CA -0.714 57.671 58.200 0.308 0.000 1.012 457 S CB 0.886 64.223 63.200 0.227 0.000 1.044 457 S HN 0.568 nan 8.310 nan 0.000 0.485 458 L N 3.924 125.316 121.223 0.281 0.000 2.627 458 L HA 0.386 4.740 4.340 0.024 0.000 0.233 458 L C 1.372 178.309 176.870 0.112 0.000 1.144 458 L CA 0.492 55.409 54.840 0.129 0.000 0.892 458 L CB -1.033 40.991 42.059 -0.059 0.000 1.039 458 L HN 1.016 nan 8.230 nan 0.000 0.442 459 G N 0.066 109.022 108.800 0.261 0.000 2.297 459 G HA2 -0.140 3.834 3.960 0.024 0.000 0.209 459 G HA3 -0.140 3.834 3.960 0.024 0.000 0.209 459 G C -1.586 173.526 174.900 0.353 0.000 1.267 459 G CA -0.545 44.716 45.100 0.268 0.000 1.127 459 G HN 0.181 nan 8.290 nan 0.000 0.498 460 N N 0.157 119.007 118.700 0.249 0.000 2.405 460 N HA 0.476 5.231 4.740 0.024 0.000 0.274 460 N C -0.475 175.004 175.510 -0.052 0.000 1.170 460 N CA 0.191 53.247 53.050 0.010 0.000 0.848 460 N CB 1.589 39.824 38.487 -0.420 0.000 1.629 460 N HN 0.921 nan 8.380 nan 0.000 0.481 461 E N 0.552 120.626 120.200 -0.211 0.000 2.183 461 E HA -0.172 4.192 4.350 0.024 0.000 0.196 461 E C -0.854 175.661 176.600 -0.141 0.000 1.364 461 E CA 0.801 56.988 56.400 -0.355 0.000 0.700 461 E CB -1.351 27.907 29.700 -0.737 0.000 1.106 461 E HN 0.432 nan 8.360 nan 0.000 0.347 462 S N -0.014 115.741 115.700 0.092 0.000 2.941 462 S HA 0.411 4.895 4.470 0.024 0.000 0.251 462 S C 0.619 175.373 174.600 0.256 0.000 1.029 462 S CA -0.161 58.153 58.200 0.190 0.000 1.062 462 S CB 1.383 64.756 63.200 0.288 0.000 0.977 462 S HN 0.842 nan 8.310 nan 0.000 0.552 463 G N 2.003 110.884 108.800 0.134 0.000 2.633 463 G HA2 -0.261 3.713 3.960 0.024 0.000 0.263 463 G HA3 -0.261 3.713 3.960 0.024 0.000 0.263 463 G C -0.555 174.528 174.900 0.305 0.000 1.310 463 G CA -0.149 45.038 45.100 0.144 0.000 0.914 463 G HN 0.621 nan 8.290 nan 0.000 0.569 464 H N 0.627 119.813 119.070 0.194 0.000 2.658 464 H HA 0.600 5.170 4.556 0.023 0.000 0.337 464 H C 0.285 175.779 175.328 0.277 0.000 1.009 464 H CA 0.168 56.376 56.048 0.266 0.000 1.231 464 H CB 0.884 30.738 29.762 0.152 0.000 1.508 464 H HN 1.123 nan 8.280 nan 0.000 0.517 465 G N 1.458 110.205 108.800 -0.087 0.000 2.630 465 G HA2 0.460 4.434 3.960 0.024 0.000 0.296 465 G HA3 0.460 4.434 3.960 0.024 0.000 0.296 465 G C 0.480 175.177 174.900 -0.340 0.000 1.285 465 G CA -0.156 44.811 45.100 -0.220 0.000 0.958 465 G HN 0.659 nan 8.290 nan 0.000 0.479 466 A N 0.206 122.911 122.820 -0.191 0.000 2.070 466 A HA -0.069 4.266 4.320 0.024 0.000 0.220 466 A C 2.074 179.607 177.584 -0.084 0.000 1.159 466 A CA 1.754 53.729 52.037 -0.103 0.000 0.656 466 A CB -0.388 18.589 19.000 -0.039 0.000 0.800 466 A HN 0.519 nan 8.150 nan 0.000 0.453 467 N N -0.212 118.398 118.700 -0.150 0.000 2.223 467 N HA -0.131 4.623 4.740 0.024 0.000 0.185 467 N C 1.347 176.762 175.510 -0.159 0.000 1.016 467 N CA 1.620 54.575 53.050 -0.159 0.000 0.863 467 N CB -0.633 37.726 38.487 -0.213 0.000 0.983 467 N HN 0.781 nan 8.380 nan 0.000 0.429 468 H N 0.327 119.327 119.070 -0.117 0.000 2.357 468 H HA -0.018 4.552 4.556 0.023 0.000 0.301 468 H C 1.238 176.600 175.328 0.057 0.000 1.082 468 H CA 1.291 57.281 56.048 -0.096 0.000 1.342 468 H CB 0.151 29.822 29.762 -0.151 0.000 1.389 468 H HN 0.163 nan 8.280 nan 0.000 0.511 469 D N 0.332 120.850 120.400 0.198 0.000 2.144 469 D HA -0.112 4.542 4.640 0.024 0.000 0.199 469 D C 2.292 178.733 176.300 0.235 0.000 0.984 469 D CA 1.108 55.249 54.000 0.234 0.000 0.834 469 D CB -0.398 40.517 40.800 0.191 0.000 0.955 469 D HN 0.420 nan 8.370 nan 0.000 0.465 470 A N 0.793 123.699 122.820 0.144 0.000 1.877 470 A HA -0.133 4.201 4.320 0.024 0.000 0.216 470 A C 2.387 180.075 177.584 0.174 0.000 1.186 470 A CA 1.015 53.131 52.037 0.131 0.000 0.620 470 A CB -0.760 18.276 19.000 0.060 0.000 0.822 470 A HN 0.213 nan 8.150 nan 0.000 0.443 471 L N -2.213 119.097 121.223 0.145 0.000 2.156 471 L HA -0.116 4.238 4.340 0.024 0.000 0.208 471 L C 2.544 179.560 176.870 0.243 0.000 1.095 471 L CA 1.354 56.288 54.840 0.156 0.000 0.770 471 L CB -0.646 41.434 42.059 0.035 0.000 0.914 471 L HN 0.613 nan 8.230 nan 0.000 0.439 472 Y N 1.317 121.702 120.300 0.142 0.000 2.128 472 Y HA -0.336 4.223 4.550 0.016 0.000 0.284 472 Y C 2.809 178.791 175.900 0.137 0.000 1.154 472 Y CA 1.804 59.992 58.100 0.147 0.000 1.149 472 Y CB -0.113 38.438 38.460 0.152 0.000 0.976 472 Y HN -0.033 nan 8.280 nan 0.000 0.505 473 R N -0.170 120.447 120.500 0.196 0.000 2.115 473 R HA -0.178 4.177 4.340 0.024 0.000 0.230 473 R C 2.011 178.316 176.300 0.008 0.000 1.111 473 R CA 1.772 57.905 56.100 0.055 0.000 0.976 473 R CB -1.355 29.058 30.300 0.188 0.000 0.870 473 R HN 0.655 nan 8.270 nan 0.000 0.445 474 W N 0.537 121.800 121.300 -0.062 0.000 2.333 474 W HA -0.167 4.508 4.660 0.026 0.000 0.316 474 W C 1.576 178.007 176.519 -0.148 0.000 1.215 474 W CA 2.077 59.369 57.345 -0.088 0.000 1.278 474 W CB -0.282 29.130 29.460 -0.081 0.000 1.154 474 W HN 0.074 nan 8.180 nan 0.000 0.486 475 I N 0.886 121.437 120.570 -0.030 0.000 2.179 475 I HA -0.352 3.832 4.170 0.024 0.000 0.242 475 I C 2.450 178.344 176.117 -0.372 0.000 1.088 475 I CA 1.385 62.495 61.300 -0.317 0.000 1.357 475 I CB -0.758 37.139 38.000 -0.171 0.000 1.051 475 I HN -0.094 nan 8.210 nan 0.000 0.409 476 K N 0.384 120.586 120.400 -0.331 0.000 2.103 476 K HA -0.184 4.150 4.320 0.024 0.000 0.207 476 K C 2.284 178.738 176.600 -0.244 0.000 1.048 476 K CA 1.662 57.779 56.287 -0.283 0.000 0.930 476 K CB -0.569 31.723 32.500 -0.348 0.000 0.716 476 K HN 0.297 nan 8.250 nan 0.000 0.444 477 S N 1.029 116.548 115.700 -0.301 0.000 2.371 477 S HA -0.088 4.396 4.470 0.024 0.000 0.224 477 S C 2.077 176.462 174.600 -0.358 0.000 1.029 477 S CA 1.227 59.258 58.200 -0.281 0.000 0.978 477 S CB -0.155 62.890 63.200 -0.257 0.000 0.833 477 S HN 0.177 nan 8.310 nan 0.000 0.466 478 V N -0.721 118.836 119.914 -0.596 0.000 2.788 478 V HA 0.262 4.396 4.120 0.024 0.000 0.251 478 V C 0.356 176.228 176.094 -0.370 0.000 1.068 478 V CA 1.411 63.363 62.300 -0.580 0.000 1.090 478 V CB -0.484 30.768 31.823 -0.952 0.000 0.710 478 V HN 0.473 nan 8.190 nan 0.000 0.467 479 D N 0.623 120.846 120.400 -0.296 0.000 2.346 479 D HA 0.397 5.051 4.640 0.024 0.000 0.255 479 D C -2.258 174.025 176.300 -0.029 0.000 1.276 479 D CA -1.876 52.061 54.000 -0.105 0.000 0.941 479 D CB 1.776 42.602 40.800 0.042 0.000 1.199 479 D HN 0.165 nan 8.370 nan 0.000 0.537 480 P HA -0.008 nan 4.420 nan 0.000 0.245 480 P C 1.031 178.349 177.300 0.029 0.000 1.212 480 P CA 0.370 63.463 63.100 -0.013 0.000 0.774 480 P CB 0.115 31.803 31.700 -0.020 0.000 0.999 481 S N -1.297 114.430 115.700 0.045 0.000 2.562 481 S HA 0.089 4.574 4.470 0.024 0.000 0.221 481 S C 0.828 175.453 174.600 0.041 0.000 0.975 481 S CA -0.160 58.070 58.200 0.050 0.000 0.918 481 S CB -0.356 62.868 63.200 0.040 0.000 0.772 481 S HN 0.055 nan 8.310 nan 0.000 0.531 482 R N 0.980 121.516 120.500 0.059 0.000 2.621 482 R HA 0.526 4.880 4.340 0.024 0.000 0.284 482 R C -3.232 173.118 176.300 0.083 0.000 0.998 482 R CA -2.142 53.960 56.100 0.004 0.000 0.895 482 R CB 1.599 31.782 30.300 -0.194 0.000 1.195 482 R HN 0.142 nan 8.270 nan 0.000 0.450 483 P HA 0.108 nan 4.420 nan 0.000 0.272 483 P C -0.816 176.593 177.300 0.181 0.000 1.240 483 P CA -0.423 62.742 63.100 0.109 0.000 0.791 483 P CB 0.665 32.416 31.700 0.085 0.000 0.978 484 V N 1.743 121.792 119.914 0.223 0.000 2.555 484 V HA 0.422 4.557 4.120 0.024 0.000 0.302 484 V C 0.196 176.482 176.094 0.320 0.000 1.038 484 V CA -0.321 62.161 62.300 0.303 0.000 0.887 484 V CB 1.257 33.227 31.823 0.245 0.000 0.991 484 V HN 0.626 nan 8.190 nan 0.000 0.434 485 Q N 3.522 123.494 119.800 0.287 0.000 2.458 485 Q HA 0.820 5.174 4.340 0.024 0.000 0.282 485 Q C -1.839 174.345 176.000 0.307 0.000 1.106 485 Q CA -0.926 55.019 55.803 0.236 0.000 0.814 485 Q CB 2.975 31.796 28.738 0.138 0.000 1.425 485 Q HN 0.634 nan 8.270 nan 0.000 0.437 486 Y N -0.107 120.226 120.300 0.055 0.000 2.393 486 Y HA 0.134 4.697 4.550 0.022 0.000 0.320 486 Y C -0.622 175.245 175.900 -0.055 0.000 1.241 486 Y CA -0.724 57.377 58.100 0.002 0.000 1.122 486 Y CB 1.955 40.411 38.460 -0.007 0.000 1.322 486 Y HN 0.945 nan 8.280 nan 0.000 0.441 487 E N 3.284 122.986 120.200 -0.830 0.000 2.318 487 E HA 0.144 4.508 4.350 0.024 0.000 0.193 487 E C 0.632 176.795 176.600 -0.728 0.000 0.998 487 E CA 0.763 56.792 56.400 -0.618 0.000 0.859 487 E CB 0.270 29.743 29.700 -0.377 0.000 0.812 487 E HN 0.874 nan 8.360 nan 0.000 0.492 488 G N -0.350 107.614 108.800 -1.393 0.000 2.554 488 G HA2 0.285 4.259 3.960 0.024 0.000 0.238 488 G HA3 0.285 4.259 3.960 0.024 0.000 0.238 488 G C 0.766 175.544 174.900 -0.205 0.000 1.259 488 G CA 0.247 44.967 45.100 -0.634 0.000 0.843 488 G HN 0.326 nan 8.290 nan 0.000 0.582 489 G N -0.811 107.962 108.800 -0.044 0.000 2.143 489 G HA2 0.239 4.213 3.960 0.024 0.000 0.248 489 G HA3 0.239 4.213 3.960 0.024 0.000 0.248 489 G C 1.250 176.161 174.900 0.018 0.000 0.991 489 G CA 0.944 46.077 45.100 0.055 0.000 0.689 489 G HN 2.616 nan 8.290 nan 0.000 0.522 490 G N -1.326 107.478 108.800 0.008 0.000 2.192 490 G HA2 0.435 4.410 3.960 0.024 0.000 0.193 490 G HA3 0.435 4.410 3.960 0.024 0.000 0.193 490 G C 1.021 176.052 174.900 0.218 0.000 0.999 490 G CA 1.331 46.499 45.100 0.114 0.000 0.659 490 G HN 2.371 nan 8.290 nan 0.000 0.503 491 A N -0.367 122.470 122.820 0.029 0.000 3.661 491 A HA -0.112 4.222 4.320 0.024 0.000 0.269 491 A C 1.082 178.620 177.584 -0.077 0.000 1.056 491 A CA 2.598 54.596 52.037 -0.064 0.000 1.159 491 A CB -1.754 17.177 19.000 -0.115 0.000 1.105 491 A HN 2.129 nan 8.150 nan 0.000 0.907 492 D N -0.813 119.621 120.400 0.056 0.000 2.760 492 D HA 0.321 4.975 4.640 0.024 0.000 0.314 492 D C 0.418 176.721 176.300 0.005 0.000 1.464 492 D CA 0.857 54.889 54.000 0.053 0.000 0.797 492 D CB -1.165 39.807 40.800 0.286 0.000 1.149 492 D HN 0.835 nan 8.370 nan 0.000 0.455 493 T N -2.299 112.199 114.554 -0.093 0.000 2.689 493 T HA 0.180 4.545 4.350 0.024 0.000 0.308 493 T C 1.561 176.130 174.700 -0.219 0.000 1.021 493 T CA 0.514 62.475 62.100 -0.232 0.000 0.973 493 T CB 0.613 69.146 68.868 -0.557 0.000 1.113 493 T HN 0.089 nan 8.240 nan 0.000 0.522 494 T N -2.644 111.747 114.554 -0.271 0.000 3.160 494 T HA 0.293 4.657 4.350 0.024 0.000 0.257 494 T C 1.400 175.859 174.700 -0.402 0.000 1.147 494 T CA 0.156 62.118 62.100 -0.231 0.000 1.064 494 T CB -0.456 68.345 68.868 -0.112 0.000 0.949 494 T HN 0.826 nan 8.240 nan 0.000 0.526 495 A N 0.480 123.122 122.820 -0.297 0.000 2.500 495 A HA 0.527 4.861 4.320 0.024 0.000 0.267 495 A C 0.758 178.237 177.584 -0.175 0.000 1.290 495 A CA -0.372 51.478 52.037 -0.312 0.000 0.928 495 A CB 0.133 19.245 19.000 0.187 0.000 1.066 495 A HN 0.413 nan 8.150 nan 0.000 0.516 496 T N -1.340 113.095 114.554 -0.197 0.000 2.916 496 T HA 0.371 4.735 4.350 0.024 0.000 0.298 496 T C -0.636 174.097 174.700 0.055 0.000 1.031 496 T CA -0.420 61.703 62.100 0.040 0.000 0.993 496 T CB 1.247 70.135 68.868 0.034 0.000 1.045 496 T HN 0.081 nan 8.240 nan 0.000 0.454 497 D N 2.919 123.437 120.400 0.196 0.000 2.348 497 D HA 0.272 4.926 4.640 0.024 0.000 0.211 497 D C 0.337 176.679 176.300 0.069 0.000 0.998 497 D CA 0.648 54.743 54.000 0.157 0.000 0.873 497 D CB 0.407 41.333 40.800 0.209 0.000 0.925 497 D HN 0.541 nan 8.370 nan 0.000 0.524 498 I N 1.023 121.616 120.570 0.039 0.000 2.498 498 I HA 0.259 4.443 4.170 0.024 0.000 0.290 498 I C -0.140 175.923 176.117 -0.090 0.000 1.032 498 I CA -0.909 60.378 61.300 -0.021 0.000 1.073 498 I CB 2.745 40.747 38.000 0.002 0.000 1.251 498 I HN -0.355 nan 8.210 nan 0.000 0.426 499 I N 5.825 126.294 120.570 -0.168 0.000 2.505 499 I HA 0.037 4.221 4.170 0.024 0.000 0.287 499 I C 0.239 176.153 176.117 -0.339 0.000 1.104 499 I CA 0.059 61.162 61.300 -0.329 0.000 1.387 499 I CB 0.147 37.840 38.000 -0.512 0.000 1.404 499 I HN 0.682 nan 8.210 nan 0.000 0.528 500 C N 5.705 124.821 119.300 -0.306 0.000 3.401 500 C HA 0.484 4.958 4.460 0.024 0.000 0.204 500 C C -2.207 172.655 174.990 -0.215 0.000 1.522 500 C CA -2.236 56.658 59.018 -0.206 0.000 1.409 500 C CB -0.830 26.850 27.740 -0.100 0.000 1.967 500 C HN 0.410 nan 8.230 nan 0.000 0.496 501 P HA 0.336 nan 4.420 nan 0.000 0.274 501 P C -0.437 176.817 177.300 -0.076 0.000 1.256 501 P CA 0.230 63.233 63.100 -0.162 0.000 0.795 501 P CB 0.773 32.393 31.700 -0.133 0.000 1.038 502 M N -0.099 119.475 119.600 -0.042 0.000 2.181 502 M HA 0.445 4.939 4.480 0.024 0.000 0.323 502 M C -0.790 175.487 176.300 -0.039 0.000 1.004 502 M CA -0.673 54.497 55.300 -0.216 0.000 0.941 502 M CB 1.175 33.602 32.600 -0.288 0.000 1.579 502 M HN 0.329 nan 8.290 nan 0.000 0.427 503 Y N -0.230 120.237 120.300 0.278 0.000 4.409 503 Y HA -0.226 4.338 4.550 0.025 0.000 0.228 503 Y C 0.542 176.618 175.900 0.292 0.000 1.108 503 Y CA 0.424 58.693 58.100 0.281 0.000 1.955 503 Y CB -2.225 36.371 38.460 0.226 0.000 1.615 503 Y HN 0.974 nan 8.280 nan 0.000 0.665 504 A N 1.092 124.133 122.820 0.368 0.000 2.425 504 A HA 0.569 4.903 4.320 0.024 0.000 0.249 504 A C 0.735 178.544 177.584 0.375 0.000 1.084 504 A CA -0.397 51.862 52.037 0.370 0.000 0.781 504 A CB 0.417 19.676 19.000 0.432 0.000 1.019 504 A HN 0.429 nan 8.150 nan 0.000 0.490 505 R N 1.280 121.925 120.500 0.243 0.000 2.541 505 R HA 0.357 4.711 4.340 0.024 0.000 0.263 505 R C 1.015 177.279 176.300 -0.060 0.000 1.112 505 R CA -0.741 55.431 56.100 0.121 0.000 1.170 505 R CB 0.623 30.963 30.300 0.066 0.000 1.167 505 R HN 0.486 nan 8.270 nan 0.000 0.582 506 V N 0.547 120.262 119.914 -0.332 0.000 2.283 506 V HA -0.183 3.951 4.120 0.024 0.000 0.243 506 V C 0.959 176.929 176.094 -0.207 0.000 1.039 506 V CA 1.845 63.905 62.300 -0.400 0.000 1.016 506 V CB -0.245 31.216 31.823 -0.603 0.000 0.650 506 V HN 0.732 nan 8.190 nan 0.000 0.449 507 D N -1.429 118.884 120.400 -0.145 0.000 2.454 507 D HA 0.103 4.757 4.640 0.024 0.000 0.219 507 D C 0.884 177.165 176.300 -0.032 0.000 1.081 507 D CA 0.072 54.023 54.000 -0.082 0.000 0.867 507 D CB 0.781 41.536 40.800 -0.074 0.000 1.054 507 D HN 0.472 nan 8.370 nan 0.000 0.500 508 E N 1.889 122.074 120.200 -0.025 0.000 2.174 508 E HA 0.112 4.476 4.350 0.024 0.000 0.282 508 E C -0.825 175.773 176.600 -0.003 0.000 0.992 508 E CA -0.600 55.794 56.400 -0.010 0.000 0.803 508 E CB 1.007 30.700 29.700 -0.012 0.000 1.090 508 E HN -0.175 nan 8.360 nan 0.000 0.396 509 D N 3.615 124.018 120.400 0.005 0.000 2.313 509 D HA 0.120 4.774 4.640 0.024 0.000 0.247 509 D C -0.541 175.649 176.300 -0.183 0.000 1.094 509 D CA 0.204 54.199 54.000 -0.008 0.000 0.925 509 D CB 1.161 42.033 40.800 0.121 0.000 1.188 509 D HN 0.430 nan 8.370 nan 0.000 0.430 510 Q N 1.454 121.015 119.800 -0.398 0.000 2.771 510 Q HA 0.241 4.595 4.340 0.024 0.000 0.247 510 Q C -2.219 173.150 176.000 -1.052 0.000 0.986 510 Q CA -1.526 53.847 55.803 -0.718 0.000 0.713 510 Q CB 2.377 30.625 28.738 -0.815 0.000 1.241 510 Q HN 0.163 nan 8.270 nan 0.000 0.488 511 P HA -0.007 nan 4.420 nan 0.000 0.225 511 P C -0.614 176.382 177.300 -0.505 0.000 1.768 511 P CA -0.046 62.622 63.100 -0.720 0.000 0.943 511 P CB -0.609 30.886 31.700 -0.341 0.000 1.936 512 F N 1.921 121.686 119.950 -0.308 0.000 2.602 512 F HA 0.087 4.627 4.527 0.023 0.000 0.367 512 F C -1.111 174.579 175.800 -0.184 0.000 1.126 512 F CA -2.160 55.722 58.000 -0.197 0.000 1.321 512 F CB -0.637 38.261 39.000 -0.169 0.000 1.094 512 F HN 0.055 nan 8.300 nan 0.000 0.594 513 P HA 0.068 nan 4.420 nan 0.000 0.266 513 P C 0.327 177.639 177.300 0.021 0.000 1.195 513 P CA 1.071 64.186 63.100 0.026 0.000 0.768 513 P CB 1.057 32.771 31.700 0.023 0.000 0.838 514 A N 2.709 125.535 122.820 0.011 0.000 2.617 514 A HA -0.247 4.087 4.320 0.024 0.000 0.236 514 A C 0.715 178.306 177.584 0.010 0.000 0.551 514 A CA 2.001 54.048 52.037 0.017 0.000 1.144 514 A CB -2.671 16.337 19.000 0.015 0.000 1.384 514 A HN 0.706 nan 8.150 nan 0.000 0.694 515 V N -2.976 116.938 119.914 -0.001 0.000 2.468 515 V HA 0.565 4.699 4.120 0.024 0.000 0.256 515 V C -2.377 173.697 176.094 -0.034 0.000 0.998 515 V CA -1.284 61.014 62.300 -0.003 0.000 1.114 515 V CB 0.610 32.435 31.823 0.002 0.000 1.378 515 V HN 0.486 nan 8.190 nan 0.000 0.573 516 P HA 0.247 nan 4.420 nan 0.000 0.269 516 P C -0.577 176.274 177.300 -0.749 0.000 1.215 516 P CA 0.134 62.843 63.100 -0.652 0.000 0.780 516 P CB 1.009 31.833 31.700 -1.461 0.000 0.898 517 K N 2.242 122.255 120.400 -0.645 0.000 2.419 517 K HA 0.195 4.529 4.320 0.024 0.000 0.244 517 K C -0.407 175.881 176.600 -0.521 0.000 1.045 517 K CA -0.287 55.814 56.287 -0.310 0.000 1.004 517 K CB 0.287 32.880 32.500 0.155 0.000 1.376 517 K HN 0.467 nan 8.250 nan 0.000 0.460 518 W N 1.281 122.268 121.300 -0.522 0.000 2.112 518 W HA 0.037 4.711 4.660 0.023 0.000 0.349 518 W C 1.347 177.877 176.519 0.020 0.000 1.289 518 W CA -0.403 56.733 57.345 -0.348 0.000 1.256 518 W CB 0.379 29.465 29.460 -0.622 0.000 1.148 518 W HN 0.350 nan 8.180 nan 0.000 0.590 519 S N 2.952 118.813 115.700 0.268 0.000 2.558 519 S HA -0.078 4.406 4.470 0.024 0.000 0.291 519 S C 1.217 175.979 174.600 0.271 0.000 1.306 519 S CA -0.140 58.164 58.200 0.172 0.000 1.056 519 S CB 0.159 63.413 63.200 0.089 0.000 0.836 519 S HN 0.502 nan 8.310 nan 0.000 0.504 520 I N 2.273 122.960 120.570 0.196 0.000 2.286 520 I HA -0.132 4.052 4.170 0.024 0.000 0.248 520 I C 2.042 178.193 176.117 0.056 0.000 1.115 520 I CA 1.252 62.665 61.300 0.188 0.000 1.392 520 I CB -0.413 37.634 38.000 0.078 0.000 1.065 520 I HN 0.586 nan 8.210 nan 0.000 0.418 521 K N 1.523 121.854 120.400 -0.115 0.000 2.057 521 K HA -0.154 4.180 4.320 0.024 0.000 0.206 521 K C 2.308 178.909 176.600 0.001 0.000 1.050 521 K CA 1.667 57.798 56.287 -0.260 0.000 0.935 521 K CB -0.187 32.062 32.500 -0.418 0.000 0.715 521 K HN 0.375 nan 8.250 nan 0.000 0.439 522 K N 0.036 120.460 120.400 0.040 0.000 2.103 522 K HA -0.163 4.171 4.320 0.024 0.000 0.204 522 K C 1.877 178.517 176.600 0.067 0.000 1.052 522 K CA 0.821 57.123 56.287 0.025 0.000 0.945 522 K CB -0.066 32.416 32.500 -0.030 0.000 0.722 522 K HN 0.215 nan 8.250 nan 0.000 0.443 523 W N 2.192 123.488 121.300 -0.007 0.000 2.338 523 W HA -0.169 4.504 4.660 0.021 0.000 0.304 523 W C 1.562 178.067 176.519 -0.023 0.000 1.212 523 W CA 1.049 58.398 57.345 0.007 0.000 1.264 523 W CB -0.597 28.949 29.460 0.143 0.000 1.142 523 W HN 0.079 nan 8.180 nan 0.000 0.512 524 L N 0.895 122.274 121.223 0.259 0.000 2.129 524 L HA -0.257 4.097 4.340 0.024 0.000 0.212 524 L C 2.283 179.221 176.870 0.113 0.000 1.087 524 L CA 2.027 56.957 54.840 0.150 0.000 0.757 524 L CB -0.971 41.166 42.059 0.131 0.000 0.896 524 L HN -0.003 nan 8.230 nan 0.000 0.434 525 S N -1.518 114.233 115.700 0.086 0.000 2.572 525 S HA 0.249 4.733 4.470 0.024 0.000 0.228 525 S C 0.594 175.181 174.600 -0.021 0.000 0.963 525 S CA -0.538 57.682 58.200 0.032 0.000 0.939 525 S CB -0.385 62.833 63.200 0.030 0.000 0.804 525 S HN 0.152 nan 8.310 nan 0.000 0.480 526 L N 2.040 123.240 121.223 -0.037 0.000 2.499 526 L HA 0.208 4.563 4.340 0.024 0.000 0.281 526 L C -2.184 174.649 176.870 -0.062 0.000 1.234 526 L CA -1.663 53.104 54.840 -0.120 0.000 0.839 526 L CB -0.341 41.617 42.059 -0.169 0.000 1.104 526 L HN 0.037 nan 8.230 nan 0.000 0.500 527 P HA -0.043 nan 4.420 nan 0.000 0.260 527 P C 0.750 178.038 177.300 -0.020 0.000 1.172 527 P CA 1.106 64.178 63.100 -0.047 0.000 0.760 527 P CB 0.465 32.131 31.700 -0.058 0.000 0.773 528 G N 1.730 110.526 108.800 -0.007 0.000 2.212 528 G HA2 -0.295 3.679 3.960 0.024 0.000 0.266 528 G HA3 -0.295 3.679 3.960 0.024 0.000 0.266 528 G C 0.302 175.213 174.900 0.019 0.000 0.978 528 G CA 0.239 45.343 45.100 0.006 0.000 0.632 528 G HN 0.621 nan 8.290 nan 0.000 0.537 529 E N 1.008 121.226 120.200 0.029 0.000 2.338 529 E HA 0.576 4.940 4.350 0.024 0.000 0.272 529 E C 1.383 178.006 176.600 0.038 0.000 1.029 529 E CA 0.726 57.156 56.400 0.051 0.000 0.872 529 E CB 0.746 30.503 29.700 0.094 0.000 1.015 529 E HN 0.542 nan 8.360 nan 0.000 0.417 530 T N 0.599 115.173 114.554 0.033 0.000 3.130 530 T HA 0.331 4.695 4.350 0.024 0.000 0.288 530 T C 0.579 175.288 174.700 0.015 0.000 0.936 530 T CA -0.459 61.655 62.100 0.023 0.000 0.897 530 T CB 0.114 68.994 68.868 0.021 0.000 1.178 530 T HN 0.238 nan 8.240 nan 0.000 0.543 531 R N 2.230 122.736 120.500 0.010 0.000 2.637 531 R HA 0.491 4.845 4.340 0.024 0.000 0.269 531 R C -2.564 173.719 176.300 -0.028 0.000 1.089 531 R CA -1.936 54.160 56.100 -0.006 0.000 1.177 531 R CB 0.109 30.400 30.300 -0.015 0.000 1.091 531 R HN 0.213 nan 8.270 nan 0.000 0.540 532 P HA 0.090 nan 4.420 nan 0.000 0.274 532 P C -1.084 176.151 177.300 -0.108 0.000 1.237 532 P CA -0.128 62.934 63.100 -0.063 0.000 0.793 532 P CB 0.669 32.331 31.700 -0.063 0.000 0.977 533 L N 2.518 123.657 121.223 -0.140 0.000 2.349 533 L HA 0.584 4.939 4.340 0.024 0.000 0.278 533 L C -1.043 175.691 176.870 -0.225 0.000 0.996 533 L CA -0.670 54.049 54.840 -0.202 0.000 0.825 533 L CB 0.623 42.553 42.059 -0.215 0.000 1.243 533 L HN 0.233 nan 8.230 nan 0.000 0.412 534 I N 5.667 126.112 120.570 -0.208 0.000 2.500 534 I HA 0.257 4.441 4.170 0.024 0.000 0.286 534 I C -0.776 175.266 176.117 -0.126 0.000 1.063 534 I CA -0.541 60.627 61.300 -0.221 0.000 1.062 534 I CB 2.016 39.942 38.000 -0.123 0.000 1.223 534 I HN 0.479 nan 8.210 nan 0.000 0.435 535 L N 5.546 126.667 121.223 -0.169 0.000 2.455 535 L HA 0.038 4.392 4.340 0.024 0.000 0.272 535 L C 1.466 178.435 176.870 0.165 0.000 1.174 535 L CA -0.095 54.721 54.840 -0.040 0.000 0.869 535 L CB 0.687 42.717 42.059 -0.048 0.000 1.130 535 L HN 0.863 nan 8.230 nan 0.000 0.474 536 C N 0.743 120.114 119.300 0.119 0.000 2.468 536 C HA 0.120 4.594 4.460 0.024 0.000 0.277 536 C C 0.705 175.859 174.990 0.274 0.000 1.400 536 C CA -0.188 58.947 59.018 0.194 0.000 1.770 536 C CB -0.945 26.813 27.740 0.031 0.000 1.905 536 C HN 0.808 nan 8.230 nan 0.000 0.519 537 Q N -0.484 119.412 119.800 0.161 0.000 2.295 537 Q HA 0.621 4.975 4.340 0.024 0.000 0.268 537 Q C -1.492 174.526 176.000 0.030 0.000 1.010 537 Q CA -0.349 55.552 55.803 0.163 0.000 0.856 537 Q CB 2.375 31.026 28.738 -0.146 0.000 1.349 537 Q HN 0.759 nan 8.270 nan 0.000 0.412 538 Y N -0.457 119.878 120.300 0.058 0.000 2.656 538 Y HA 0.810 5.375 4.550 0.025 0.000 0.334 538 Y C -0.658 175.400 175.900 0.263 0.000 1.179 538 Y CA -0.693 57.423 58.100 0.027 0.000 1.050 538 Y CB 0.883 39.195 38.460 -0.246 0.000 1.308 538 Y HN 0.957 nan 8.280 nan 0.000 0.456 539 A N 1.387 124.292 122.820 0.142 0.000 2.556 539 A HA 0.031 4.365 4.320 0.024 0.000 0.682 539 A C -1.282 176.545 177.584 0.406 0.000 0.218 539 A CA 0.631 52.772 52.037 0.174 0.000 0.079 539 A CB -1.377 17.646 19.000 0.038 0.000 3.949 539 A HN 1.787 nan 8.150 nan 0.000 0.546 540 H N 0.229 119.421 119.070 0.203 0.000 3.198 540 H HA 0.512 5.082 4.556 0.023 0.000 0.317 540 H C -0.044 175.342 175.328 0.097 0.000 1.178 540 H CA 0.342 56.561 56.048 0.286 0.000 1.609 540 H CB 0.668 30.479 29.762 0.081 0.000 1.819 540 H HN 1.675 nan 8.280 nan 0.000 0.533 541 A N 6.282 129.028 122.820 -0.124 0.000 3.033 541 A HA 0.151 4.485 4.320 0.024 0.000 0.250 541 A C 0.682 178.064 177.584 -0.335 0.000 1.633 541 A CA -0.393 51.510 52.037 -0.223 0.000 1.290 541 A CB -0.739 18.120 19.000 -0.236 0.000 1.048 541 A HN 0.694 nan 8.150 nan 0.000 0.648 542 M N 1.609 121.043 119.600 -0.275 0.000 2.105 542 M HA 0.480 4.974 4.480 0.024 0.000 0.350 542 M C 0.852 176.922 176.300 -0.384 0.000 1.308 542 M CA 1.172 56.288 55.300 -0.307 0.000 1.108 542 M CB 0.003 32.523 32.600 -0.133 0.000 1.622 542 M HN 0.890 nan 8.290 nan 0.000 0.468 543 G N 4.190 112.689 108.800 -0.502 0.000 2.552 543 G HA2 -0.327 3.647 3.960 0.024 0.000 0.265 543 G HA3 -0.327 3.647 3.960 0.024 0.000 0.265 543 G C -0.374 173.949 174.900 -0.961 0.000 1.234 543 G CA -0.032 44.641 45.100 -0.712 0.000 0.944 543 G HN 0.863 nan 8.290 nan 0.000 0.568 544 N N 1.097 119.120 118.700 -1.128 0.000 2.448 544 N HA 0.512 5.266 4.740 0.024 0.000 0.250 544 N C 0.007 175.232 175.510 -0.475 0.000 1.136 544 N CA 1.057 53.607 53.050 -0.833 0.000 0.953 544 N CB 0.522 38.539 38.487 -0.782 0.000 1.251 544 N HN 0.873 nan 8.380 nan 0.000 0.502 545 S N 2.211 117.708 115.700 -0.339 0.000 2.880 545 S HA 0.623 5.107 4.470 0.024 0.000 0.308 545 S C -0.156 174.360 174.600 -0.141 0.000 1.195 545 S CA -0.358 57.708 58.200 -0.224 0.000 0.866 545 S CB 0.153 63.232 63.200 -0.202 0.000 1.254 545 S HN 0.368 nan 8.310 nan 0.000 0.571 546 L N 0.046 121.230 121.223 -0.065 0.000 4.793 546 L HA -0.055 4.299 4.340 0.024 0.000 0.404 546 L C 0.574 177.488 176.870 0.074 0.000 1.022 546 L CA 0.891 55.728 54.840 -0.005 0.000 1.242 546 L CB -1.773 40.196 42.059 -0.151 0.000 2.049 546 L HN 0.753 nan 8.230 nan 0.000 0.637 547 G N -0.690 108.120 108.800 0.017 0.000 2.343 547 G HA2 0.466 4.440 3.960 0.024 0.000 0.254 547 G HA3 0.466 4.440 3.960 0.024 0.000 0.254 547 G C 1.232 176.188 174.900 0.094 0.000 1.277 547 G CA 0.247 45.340 45.100 -0.010 0.000 0.909 547 G HN 1.384 nan 8.290 nan 0.000 0.502 548 G N 1.736 110.593 108.800 0.095 0.000 2.157 548 G HA2 -0.312 3.663 3.960 0.024 0.000 0.248 548 G HA3 -0.312 3.663 3.960 0.024 0.000 0.248 548 G C 0.964 176.061 174.900 0.329 0.000 0.979 548 G CA 0.709 45.921 45.100 0.187 0.000 0.650 548 G HN 0.785 nan 8.290 nan 0.000 0.529 549 F N 1.746 121.826 119.950 0.217 0.000 2.161 549 F HA 0.134 4.676 4.527 0.024 0.000 0.300 549 F C 2.639 178.658 175.800 0.367 0.000 1.089 549 F CA 2.473 60.674 58.000 0.334 0.000 1.282 549 F CB -0.375 38.761 39.000 0.227 0.000 1.010 549 F HN 0.344 nan 8.300 nan 0.000 0.485 550 A N -0.381 122.617 122.820 0.296 0.000 2.019 550 A HA -0.224 4.110 4.320 0.024 0.000 0.219 550 A C 2.275 179.885 177.584 0.043 0.000 1.164 550 A CA 1.649 53.786 52.037 0.167 0.000 0.644 550 A CB -0.787 18.315 19.000 0.170 0.000 0.805 550 A HN 0.448 nan 8.150 nan 0.000 0.449 551 K N -1.567 118.844 120.400 0.019 0.000 2.097 551 K HA -0.176 4.158 4.320 0.024 0.000 0.206 551 K C 1.657 178.032 176.600 -0.376 0.000 1.049 551 K CA 1.601 57.808 56.287 -0.132 0.000 0.933 551 K CB -0.303 32.122 32.500 -0.125 0.000 0.717 551 K HN 0.583 nan 8.250 nan 0.000 0.442 552 Y N -0.947 119.078 120.300 -0.459 0.000 2.163 552 Y HA -0.226 4.337 4.550 0.023 0.000 0.288 552 Y C 1.918 176.804 175.900 -1.688 0.000 1.136 552 Y CA 1.508 58.961 58.100 -1.079 0.000 1.147 552 Y CB -0.257 37.541 38.460 -1.103 0.000 0.987 552 Y HN 0.171 nan 8.280 nan 0.000 0.509 553 W N -0.107 120.740 121.300 -0.755 0.000 2.402 553 W HA -0.168 4.507 4.660 0.025 0.000 0.286 553 W C 2.581 178.917 176.519 -0.304 0.000 1.221 553 W CA 1.304 58.344 57.345 -0.509 0.000 1.257 553 W CB -0.473 28.797 29.460 -0.317 0.000 1.120 553 W HN 0.039 nan 8.180 nan 0.000 0.551 554 Q N 0.816 120.525 119.800 -0.150 0.000 2.119 554 Q HA -0.149 4.205 4.340 0.024 0.000 0.201 554 Q C 2.163 178.094 176.000 -0.115 0.000 0.972 554 Q CA 1.960 57.715 55.803 -0.080 0.000 0.847 554 Q CB -0.490 28.214 28.738 -0.057 0.000 0.903 554 Q HN 0.272 nan 8.270 nan 0.000 0.433 555 A N -0.020 122.634 122.820 -0.277 0.000 1.898 555 A HA -0.083 4.252 4.320 0.024 0.000 0.216 555 A C 2.034 179.574 177.584 -0.073 0.000 1.181 555 A CA 0.935 52.837 52.037 -0.226 0.000 0.620 555 A CB -1.025 17.715 19.000 -0.434 0.000 0.819 555 A HN 0.468 nan 8.150 nan 0.000 0.442 556 F N -0.343 119.416 119.950 -0.318 0.000 2.161 556 F HA -0.210 4.331 4.527 0.024 0.000 0.300 556 F C 2.756 178.451 175.800 -0.176 0.000 1.089 556 F CA 1.077 58.863 58.000 -0.356 0.000 1.282 556 F CB -0.157 38.404 39.000 -0.732 0.000 1.010 556 F HN 0.166 nan 8.300 nan 0.000 0.485 557 R N -0.016 120.530 120.500 0.077 0.000 2.153 557 R HA -0.125 4.229 4.340 0.024 0.000 0.218 557 R C 2.085 178.418 176.300 0.054 0.000 1.072 557 R CA 0.771 56.904 56.100 0.055 0.000 0.990 557 R CB -0.341 29.989 30.300 0.049 0.000 0.889 557 R HN 0.369 nan 8.270 nan 0.000 0.452 558 Q N -0.218 119.642 119.800 0.101 0.000 2.187 558 Q HA -0.068 4.286 4.340 0.024 0.000 0.199 558 Q C -0.448 175.594 176.000 0.070 0.000 0.957 558 Q CA 0.990 56.853 55.803 0.100 0.000 0.857 558 Q CB 0.358 29.199 28.738 0.171 0.000 0.929 558 Q HN 0.181 nan 8.270 nan 0.000 0.453 559 Y N 0.098 120.377 120.300 -0.036 0.000 2.385 559 Y HA 0.255 4.819 4.550 0.022 0.000 0.341 559 Y C -1.780 174.091 175.900 -0.048 0.000 0.965 559 Y CA -2.801 55.277 58.100 -0.036 0.000 1.180 559 Y CB 1.434 39.877 38.460 -0.027 0.000 1.139 559 Y HN 0.123 nan 8.280 nan 0.000 0.502 560 P HA -0.173 nan 4.420 nan 0.000 0.215 560 P C 1.169 178.466 177.300 -0.005 0.000 1.157 560 P CA 1.808 64.903 63.100 -0.009 0.000 0.874 560 P CB 0.311 31.990 31.700 -0.035 0.000 0.790 561 R N -1.204 119.312 120.500 0.027 0.000 2.316 561 R HA 0.078 4.432 4.340 0.024 0.000 0.202 561 R C 0.482 176.764 176.300 -0.030 0.000 1.029 561 R CA 0.144 56.245 56.100 0.000 0.000 1.018 561 R CB -0.529 29.782 30.300 0.018 0.000 0.888 561 R HN 0.240 nan 8.270 nan 0.000 0.471 562 L N 1.817 123.042 121.223 0.002 0.000 2.312 562 L HA 0.115 4.469 4.340 0.024 0.000 0.287 562 L C 0.605 177.326 176.870 -0.248 0.000 1.091 562 L CA 0.177 54.965 54.840 -0.088 0.000 0.846 562 L CB 1.138 43.219 42.059 0.035 0.000 1.219 562 L HN 0.095 nan 8.230 nan 0.000 0.439 563 Q N 2.833 122.413 119.800 -0.367 0.000 2.201 563 Q HA 0.304 4.658 4.340 0.024 0.000 0.217 563 Q C 0.815 176.404 176.000 -0.684 0.000 0.860 563 Q CA 0.120 55.673 55.803 -0.417 0.000 0.984 563 Q CB 1.042 29.629 28.738 -0.252 0.000 1.095 563 Q HN 0.963 nan 8.270 nan 0.000 0.477 564 G N -0.293 107.728 108.800 -1.299 0.000 2.416 564 G HA2 0.117 4.091 3.960 0.024 0.000 0.203 564 G HA3 0.117 4.091 3.960 0.024 0.000 0.203 564 G C -0.339 173.754 174.900 -1.346 0.000 1.227 564 G CA -0.742 43.235 45.100 -1.871 0.000 1.041 564 G HN 0.554 nan 8.290 nan 0.000 0.546 565 G N -2.160 106.136 108.800 -0.840 0.000 2.349 565 G HA2 0.637 4.611 3.960 0.024 0.000 0.294 565 G HA3 0.637 4.611 3.960 0.024 0.000 0.294 565 G C -1.806 173.038 174.900 -0.093 0.000 1.380 565 G CA -0.318 44.525 45.100 -0.428 0.000 0.811 565 G HN 1.125 nan 8.290 nan 0.000 0.519 566 F N 0.756 120.964 119.950 0.429 0.000 2.375 566 F HA 0.519 5.060 4.527 0.022 0.000 0.361 566 F C 0.818 176.892 175.800 0.457 0.000 1.117 566 F CA -0.742 57.518 58.000 0.433 0.000 1.037 566 F CB 1.966 41.121 39.000 0.260 0.000 1.192 566 F HN 0.244 nan 8.300 nan 0.000 0.452 567 V N 3.318 123.495 119.914 0.439 0.000 2.872 567 V HA -0.133 4.001 4.120 0.024 0.000 0.307 567 V C -0.206 176.013 176.094 0.209 0.000 1.072 567 V CA -0.311 62.038 62.300 0.080 0.000 1.148 567 V CB 0.837 32.758 31.823 0.163 0.000 0.954 567 V HN 0.773 nan 8.190 nan 0.000 0.490 568 W N 6.405 127.757 121.300 0.086 0.000 2.282 568 W HA 0.431 5.105 4.660 0.023 0.000 0.322 568 W C -0.831 175.696 176.519 0.014 0.000 1.011 568 W CA -0.636 56.802 57.345 0.155 0.000 1.392 568 W CB 1.194 30.892 29.460 0.397 0.000 1.215 568 W HN 0.923 nan 8.180 nan 0.000 0.394 569 D N 2.595 122.647 120.400 -0.580 0.000 2.812 569 D HA 0.091 4.745 4.640 0.024 0.000 0.318 569 D C 0.673 176.783 176.300 -0.316 0.000 1.234 569 D CA -0.566 53.005 54.000 -0.715 0.000 0.989 569 D CB 0.171 40.045 40.800 -1.543 0.000 1.442 569 D HN 0.403 nan 8.370 nan 0.000 0.537 570 W N 0.431 121.462 121.300 -0.448 0.000 2.380 570 W HA 0.115 4.789 4.660 0.024 0.000 0.317 570 W C -0.101 176.271 176.519 -0.244 0.000 1.196 570 W CA 1.146 58.292 57.345 -0.332 0.000 1.307 570 W CB 0.301 29.578 29.460 -0.305 0.000 1.157 570 W HN 0.151 nan 8.180 nan 0.000 0.483 571 V N 2.727 122.459 119.914 -0.303 0.000 2.656 571 V HA 0.238 4.372 4.120 0.024 0.000 0.307 571 V C -0.847 175.110 176.094 -0.229 0.000 1.051 571 V CA -0.813 61.273 62.300 -0.358 0.000 0.893 571 V CB 1.478 33.187 31.823 -0.191 0.000 0.999 571 V HN -0.090 nan 8.190 nan 0.000 0.426 572 D N 4.193 124.473 120.400 -0.200 0.000 2.488 572 D HA 0.100 4.754 4.640 0.024 0.000 0.238 572 D C 0.255 176.418 176.300 -0.228 0.000 1.138 572 D CA 0.641 54.546 54.000 -0.158 0.000 0.873 572 D CB 0.901 41.681 40.800 -0.033 0.000 1.183 572 D HN 0.617 nan 8.370 nan 0.000 0.458 573 Q N 1.149 120.736 119.800 -0.355 0.000 3.122 573 Q HA 0.144 4.499 4.340 0.024 0.000 0.360 573 Q C -0.126 175.803 176.000 -0.117 0.000 1.300 573 Q CA -0.355 54.986 55.803 -0.769 0.000 0.982 573 Q CB 0.117 28.524 28.738 -0.552 0.000 1.534 573 Q HN 0.360 nan 8.270 nan 0.000 0.474 574 S N -0.185 115.569 115.700 0.089 0.000 2.646 574 S HA 0.664 5.148 4.470 0.024 0.000 0.276 574 S C -0.137 174.626 174.600 0.272 0.000 1.222 574 S CA -0.783 57.584 58.200 0.279 0.000 1.014 574 S CB 1.513 64.861 63.200 0.247 0.000 0.991 574 S HN 0.332 nan 8.310 nan 0.000 0.533 575 L N 1.376 122.674 121.223 0.126 0.000 2.341 575 L HA 0.539 4.893 4.340 0.024 0.000 0.267 575 L C -0.468 176.305 176.870 -0.162 0.000 1.009 575 L CA -1.179 53.611 54.840 -0.084 0.000 0.819 575 L CB 1.515 43.397 42.059 -0.294 0.000 1.323 575 L HN 0.560 nan 8.230 nan 0.000 0.425 576 I N 2.225 122.640 120.570 -0.257 0.000 2.441 576 I HA 0.259 4.444 4.170 0.024 0.000 0.287 576 I C 0.086 175.802 176.117 -0.670 0.000 1.049 576 I CA -0.068 60.950 61.300 -0.469 0.000 1.381 576 I CB 1.120 38.849 38.000 -0.450 0.000 1.409 576 I HN 0.575 nan 8.210 nan 0.000 0.523 577 K N 5.401 125.129 120.400 -1.121 0.000 2.350 577 K HA 0.570 4.905 4.320 0.024 0.000 0.241 577 K C -1.549 174.224 176.600 -1.379 0.000 0.994 577 K CA -0.689 54.845 56.287 -1.256 0.000 0.839 577 K CB 2.270 33.785 32.500 -1.641 0.000 1.244 577 K HN 0.250 nan 8.250 nan 0.000 0.443 578 Y N 0.862 120.918 120.300 -0.407 0.000 2.376 578 Y HA 0.121 4.685 4.550 0.024 0.000 0.340 578 Y C 0.209 176.189 175.900 0.134 0.000 0.965 578 Y CA -1.013 57.026 58.100 -0.103 0.000 1.078 578 Y CB 1.365 39.781 38.460 -0.072 0.000 1.193 578 Y HN 0.704 nan 8.280 nan 0.000 0.452 579 D N 0.541 121.180 120.400 0.398 0.000 2.440 579 D HA 0.027 4.681 4.640 0.024 0.000 0.269 579 D C 0.863 177.273 176.300 0.182 0.000 1.249 579 D CA -0.135 54.053 54.000 0.314 0.000 1.055 579 D CB 0.584 41.518 40.800 0.223 0.000 1.104 579 D HN 0.534 nan 8.370 nan 0.000 0.561 580 E N -0.456 119.812 120.200 0.114 0.000 2.070 580 E HA -0.196 4.168 4.350 0.024 0.000 0.197 580 E C 1.383 178.020 176.600 0.061 0.000 1.004 580 E CA 1.228 57.669 56.400 0.068 0.000 0.805 580 E CB -0.356 29.367 29.700 0.038 0.000 0.744 580 E HN 0.446 nan 8.360 nan 0.000 0.451 581 N N -0.437 118.305 118.700 0.069 0.000 2.571 581 N HA -0.032 4.722 4.740 0.024 0.000 0.189 581 N C 1.131 176.685 175.510 0.072 0.000 1.154 581 N CA 1.015 54.100 53.050 0.059 0.000 0.907 581 N CB 0.519 39.043 38.487 0.061 0.000 0.977 581 N HN 0.367 nan 8.380 nan 0.000 0.449 582 G N 0.072 108.936 108.800 0.108 0.000 2.176 582 G HA2 -0.260 3.714 3.960 0.024 0.000 0.253 582 G HA3 -0.260 3.714 3.960 0.024 0.000 0.253 582 G C -0.184 174.846 174.900 0.218 0.000 0.979 582 G CA -0.225 44.938 45.100 0.106 0.000 0.641 582 G HN 0.371 nan 8.290 nan 0.000 0.530 583 N N 1.823 120.655 118.700 0.221 0.000 2.509 583 N HA 0.500 5.254 4.740 0.024 0.000 0.287 583 N C -2.734 172.927 175.510 0.252 0.000 1.121 583 N CA -1.309 51.880 53.050 0.230 0.000 0.977 583 N CB 1.792 40.367 38.487 0.147 0.000 1.167 583 N HN 0.200 nan 8.380 nan 0.000 0.476 584 P HA 0.282 nan 4.420 nan 0.000 0.277 584 P C -0.506 176.748 177.300 -0.075 0.000 1.240 584 P CA -0.322 62.643 63.100 -0.225 0.000 0.798 584 P CB 0.721 32.276 31.700 -0.241 0.000 0.979 585 W N -1.015 120.043 121.300 -0.402 0.000 3.137 585 W HA 0.420 5.094 4.660 0.024 0.000 0.324 585 W C -1.560 174.779 176.519 -0.300 0.000 1.253 585 W CA -1.012 56.113 57.345 -0.367 0.000 1.183 585 W CB 0.373 29.398 29.460 -0.724 0.000 1.424 585 W HN 0.103 nan 8.180 nan 0.000 0.566 586 S N 1.484 117.278 115.700 0.156 0.000 2.465 586 S HA 0.604 5.088 4.470 0.024 0.000 0.279 586 S C 0.111 174.902 174.600 0.319 0.000 1.201 586 S CA -0.250 58.035 58.200 0.142 0.000 1.053 586 S CB 0.873 64.210 63.200 0.230 0.000 0.953 586 S HN 0.605 nan 8.310 nan 0.000 0.488 587 A N 3.112 125.979 122.820 0.077 0.000 2.337 587 A HA 0.876 5.211 4.320 0.024 0.000 0.331 587 A C -0.698 177.163 177.584 0.463 0.000 1.137 587 A CA -0.727 51.390 52.037 0.133 0.000 0.807 587 A CB 0.643 19.438 19.000 -0.342 0.000 1.250 587 A HN 0.838 nan 8.150 nan 0.000 0.468 588 Y N -0.356 120.268 120.300 0.539 0.000 3.048 588 Y HA 0.782 5.346 4.550 0.024 0.000 0.305 588 Y C 0.735 177.014 175.900 0.632 0.000 1.538 588 Y CA -1.360 57.059 58.100 0.532 0.000 1.082 588 Y CB -0.145 38.457 38.460 0.237 0.000 1.388 588 Y HN 0.860 nan 8.280 nan 0.000 0.557 589 G N -0.270 108.949 108.800 0.699 0.000 2.265 589 G HA2 0.371 4.345 3.960 0.024 0.000 0.240 589 G HA3 0.371 4.345 3.960 0.024 0.000 0.240 589 G C 0.935 176.165 174.900 0.550 0.000 1.270 589 G CA 0.401 45.834 45.100 0.555 0.000 0.901 589 G HN 1.937 nan 8.290 nan 0.000 0.507 590 G N 2.228 111.317 108.800 0.482 0.000 2.241 590 G HA2 -0.277 3.697 3.960 0.024 0.000 0.244 590 G HA3 -0.277 3.697 3.960 0.024 0.000 0.244 590 G C 0.898 175.988 174.900 0.317 0.000 0.998 590 G CA 0.627 45.940 45.100 0.355 0.000 0.621 590 G HN 0.637 nan 8.290 nan 0.000 0.519 591 D N -0.168 120.436 120.400 0.340 0.000 2.378 591 D HA 0.145 4.800 4.640 0.024 0.000 0.227 591 D C 1.179 177.316 176.300 -0.272 0.000 1.012 591 D CA 0.496 54.525 54.000 0.049 0.000 0.905 591 D CB -0.195 40.582 40.800 -0.039 0.000 0.895 591 D HN 0.473 nan 8.370 nan 0.000 0.532 592 F N -0.886 119.181 119.950 0.195 0.000 2.698 592 F HA 0.307 4.849 4.527 0.024 0.000 0.304 592 F C 1.778 177.659 175.800 0.134 0.000 1.108 592 F CA -0.220 57.854 58.000 0.123 0.000 1.263 592 F CB 0.789 39.857 39.000 0.113 0.000 1.013 592 F HN -0.047 nan 8.300 nan 0.000 0.532 593 G N 0.327 109.272 108.800 0.241 0.000 2.179 593 G HA2 -0.278 3.697 3.960 0.024 0.000 0.260 593 G HA3 -0.278 3.697 3.960 0.024 0.000 0.260 593 G C -0.169 174.865 174.900 0.223 0.000 0.977 593 G CA 0.157 45.374 45.100 0.195 0.000 0.641 593 G HN 0.405 nan 8.290 nan 0.000 0.533 594 D N 0.562 121.144 120.400 0.304 0.000 2.417 594 D HA 0.487 5.142 4.640 0.024 0.000 0.250 594 D C 0.108 176.525 176.300 0.195 0.000 1.166 594 D CA 0.952 55.116 54.000 0.272 0.000 0.881 594 D CB 1.582 42.605 40.800 0.372 0.000 1.164 594 D HN 0.352 nan 8.370 nan 0.000 0.467 595 T N 1.238 115.876 114.554 0.141 0.000 3.097 595 T HA 0.439 4.803 4.350 0.024 0.000 0.332 595 T C -2.741 171.994 174.700 0.059 0.000 1.269 595 T CA -1.169 60.986 62.100 0.092 0.000 1.076 595 T CB 1.149 70.071 68.868 0.089 0.000 1.209 595 T HN 0.182 nan 8.240 nan 0.000 0.474 596 P HA 0.508 nan 4.420 nan 0.000 0.272 596 P C -0.958 176.330 177.300 -0.020 0.000 1.240 596 P CA -0.332 62.766 63.100 -0.004 0.000 0.791 596 P CB 0.388 32.059 31.700 -0.047 0.000 0.978 597 N N -1.855 116.827 118.700 -0.029 0.000 2.732 597 N HA 0.301 5.055 4.740 0.024 0.000 0.259 597 N C -1.200 174.249 175.510 -0.103 0.000 1.402 597 N CA -0.766 52.240 53.050 -0.073 0.000 0.829 597 N CB 0.878 39.418 38.487 0.087 0.000 1.495 597 N HN 0.073 nan 8.380 nan 0.000 0.511 598 D N -0.227 120.051 120.400 -0.204 0.000 2.643 598 D HA 0.137 4.791 4.640 0.024 0.000 0.244 598 D C 0.406 176.894 176.300 0.313 0.000 1.257 598 D CA -0.119 53.846 54.000 -0.057 0.000 0.831 598 D CB 0.184 40.803 40.800 -0.302 0.000 1.043 598 D HN 0.721 nan 8.370 nan 0.000 0.488 599 R N 0.783 121.473 120.500 0.317 0.000 3.682 599 R HA -0.318 4.036 4.340 0.024 0.000 0.519 599 R C 1.079 177.427 176.300 0.081 0.000 0.241 599 R CA 1.475 57.766 56.100 0.319 0.000 1.619 599 R CB -1.598 28.810 30.300 0.181 0.000 0.923 599 R HN 0.136 nan 8.270 nan 0.000 0.598 600 Q N 1.501 121.011 119.800 -0.484 0.000 2.482 600 Q HA 0.007 4.361 4.340 0.024 0.000 0.209 600 Q C 1.528 177.246 176.000 -0.469 0.000 0.961 600 Q CA 1.276 56.599 55.803 -0.800 0.000 0.945 600 Q CB 0.023 28.072 28.738 -1.148 0.000 1.012 600 Q HN 0.614 nan 8.270 nan 0.000 0.515 601 F N 1.427 121.311 119.950 -0.110 0.000 2.641 601 F HA -0.090 4.451 4.527 0.024 0.000 0.298 601 F C 2.074 177.834 175.800 -0.067 0.000 1.146 601 F CA 0.815 58.827 58.000 0.020 0.000 1.464 601 F CB -0.032 39.042 39.000 0.124 0.000 1.101 601 F HN 0.391 nan 8.300 nan 0.000 0.585 602 C N -1.391 117.654 119.300 -0.426 0.000 2.576 602 C HA 0.239 4.713 4.460 0.024 0.000 0.267 602 C C 0.967 175.757 174.990 -0.332 0.000 1.364 602 C CA -0.496 58.087 59.018 -0.725 0.000 1.723 602 C CB -1.612 25.179 27.740 -1.582 0.000 1.778 602 C HN 0.181 nan 8.230 nan 0.000 0.572 603 M N 2.625 122.077 119.600 -0.247 0.000 2.060 603 M HA 0.281 4.776 4.480 0.024 0.000 0.342 603 M C -0.463 175.706 176.300 -0.219 0.000 1.031 603 M CA 0.325 55.508 55.300 -0.195 0.000 0.981 603 M CB 0.099 32.612 32.600 -0.146 0.000 1.376 603 M HN 0.354 nan 8.290 nan 0.000 0.397 604 N N 0.875 119.448 118.700 -0.212 0.000 2.240 604 N HA 0.206 4.960 4.740 0.024 0.000 0.240 604 N C 0.349 175.653 175.510 -0.344 0.000 1.277 604 N CA -0.542 52.337 53.050 -0.284 0.000 0.873 604 N CB 1.233 39.619 38.487 -0.169 0.000 1.222 604 N HN 0.650 nan 8.380 nan 0.000 0.507 605 G N 0.009 108.617 108.800 -0.319 0.000 2.451 605 G HA2 0.359 4.333 3.960 0.024 0.000 0.303 605 G HA3 0.359 4.333 3.960 0.024 0.000 0.303 605 G C 0.735 175.461 174.900 -0.289 0.000 1.166 605 G CA -0.558 44.342 45.100 -0.333 0.000 0.884 605 G HN 0.089 nan 8.290 nan 0.000 0.514 606 L N 0.085 121.100 121.223 -0.348 0.000 2.217 606 L HA 0.065 4.419 4.340 0.024 0.000 0.211 606 L C 1.101 177.778 176.870 -0.322 0.000 1.107 606 L CA 0.556 55.220 54.840 -0.293 0.000 0.783 606 L CB -0.355 41.517 42.059 -0.313 0.000 0.919 606 L HN 0.406 nan 8.230 nan 0.000 0.442 607 V N -4.707 114.841 119.914 -0.611 0.000 2.815 607 V HA 0.442 4.576 4.120 0.024 0.000 0.314 607 V C -0.087 175.654 176.094 -0.588 0.000 1.064 607 V CA -1.280 60.622 62.300 -0.662 0.000 0.952 607 V CB 1.468 32.824 31.823 -0.778 0.000 1.020 607 V HN -0.143 nan 8.190 nan 0.000 0.439 608 F N 1.727 121.303 119.950 -0.624 0.000 2.480 608 F HA 0.504 5.045 4.527 0.024 0.000 0.319 608 F C 1.949 177.611 175.800 -0.230 0.000 1.230 608 F CA 0.721 58.499 58.000 -0.369 0.000 1.285 608 F CB 0.750 39.540 39.000 -0.351 0.000 1.208 608 F HN 0.771 nan 8.300 nan 0.000 0.579 609 A N 0.728 123.602 122.820 0.089 0.000 2.024 609 A HA -0.222 4.112 4.320 0.024 0.000 0.220 609 A C 1.591 179.141 177.584 -0.057 0.000 1.164 609 A CA 1.889 53.948 52.037 0.037 0.000 0.643 609 A CB -0.958 18.102 19.000 0.101 0.000 0.806 609 A HN 0.783 nan 8.150 nan 0.000 0.451 610 D N -3.013 117.357 120.400 -0.049 0.000 2.319 610 D HA 0.160 4.814 4.640 0.024 0.000 0.230 610 D C 0.677 176.939 176.300 -0.063 0.000 1.094 610 D CA -0.020 53.925 54.000 -0.093 0.000 0.856 610 D CB -0.038 40.705 40.800 -0.095 0.000 0.915 610 D HN 0.212 nan 8.370 nan 0.000 0.517 611 R N -1.951 118.510 120.500 -0.064 0.000 3.728 611 R HA -0.124 4.230 4.340 0.024 0.000 0.478 611 R C -0.123 176.140 176.300 -0.061 0.000 0.932 611 R CA 1.176 57.239 56.100 -0.061 0.000 1.317 611 R CB -3.150 27.164 30.300 0.022 0.000 1.987 611 R HN 0.263 nan 8.270 nan 0.000 0.509 612 T N 2.699 117.227 114.554 -0.043 0.000 2.916 612 T HA 0.349 4.714 4.350 0.024 0.000 0.303 612 T C -2.294 172.388 174.700 -0.031 0.000 1.025 612 T CA -0.614 61.468 62.100 -0.030 0.000 1.142 612 T CB 1.024 69.849 68.868 -0.071 0.000 0.947 612 T HN -0.080 nan 8.240 nan 0.000 0.544 613 P HA 0.224 nan 4.420 nan 0.000 0.277 613 P C -0.095 177.109 177.300 -0.160 0.000 1.240 613 P CA -0.476 62.539 63.100 -0.141 0.000 0.798 613 P CB 0.510 32.178 31.700 -0.054 0.000 0.979 614 H N 2.041 120.984 119.070 -0.212 0.000 2.505 614 H HA 0.132 4.703 4.556 0.024 0.000 0.355 614 H C -1.419 173.828 175.328 -0.134 0.000 1.179 614 H CA -1.487 54.404 56.048 -0.262 0.000 1.343 614 H CB 0.113 29.668 29.762 -0.346 0.000 1.501 614 H HN 0.279 nan 8.280 nan 0.000 0.569 615 P HA -0.107 nan 4.420 nan 0.000 0.219 615 P C 1.160 178.469 177.300 0.015 0.000 1.146 615 P CA 1.510 64.616 63.100 0.012 0.000 0.808 615 P CB 0.059 31.768 31.700 0.016 0.000 0.779 616 A N -0.524 122.300 122.820 0.006 0.000 2.024 616 A HA -0.181 4.153 4.320 0.024 0.000 0.220 616 A C 2.057 179.599 177.584 -0.070 0.000 1.164 616 A CA 1.174 53.174 52.037 -0.062 0.000 0.643 616 A CB -1.571 17.351 19.000 -0.130 0.000 0.806 616 A HN 0.163 nan 8.150 nan 0.000 0.451 617 L N -0.580 120.630 121.223 -0.022 0.000 2.079 617 L HA -0.134 4.220 4.340 0.024 0.000 0.210 617 L C 2.531 179.455 176.870 0.090 0.000 1.081 617 L CA 2.684 57.546 54.840 0.038 0.000 0.752 617 L CB -0.944 41.141 42.059 0.042 0.000 0.896 617 L HN 0.383 nan 8.230 nan 0.000 0.433 618 T N -1.670 112.940 114.554 0.092 0.000 2.867 618 T HA -0.199 4.165 4.350 0.024 0.000 0.268 618 T C 1.804 176.614 174.700 0.183 0.000 1.057 618 T CA 1.442 63.649 62.100 0.178 0.000 1.136 618 T CB -0.109 68.848 68.868 0.147 0.000 0.874 618 T HN 0.472 nan 8.240 nan 0.000 0.466 619 E N 0.698 120.947 120.200 0.081 0.000 2.106 619 E HA 0.078 4.443 4.350 0.024 0.000 0.192 619 E C 2.159 178.770 176.600 0.019 0.000 0.984 619 E CA 1.296 57.747 56.400 0.084 0.000 0.806 619 E CB -0.571 29.142 29.700 0.023 0.000 0.750 619 E HN 0.528 nan 8.360 nan 0.000 0.458 620 A N 0.972 123.700 122.820 -0.152 0.000 1.902 620 A HA -0.209 4.125 4.320 0.024 0.000 0.217 620 A C 2.158 179.631 177.584 -0.185 0.000 1.181 620 A CA 1.837 53.736 52.037 -0.229 0.000 0.623 620 A CB -0.598 18.271 19.000 -0.220 0.000 0.818 620 A HN 0.254 nan 8.150 nan 0.000 0.443 621 K N -1.231 119.142 120.400 -0.046 0.000 2.032 621 K HA -0.288 4.046 4.320 0.024 0.000 0.209 621 K C 2.076 178.571 176.600 -0.174 0.000 1.048 621 K CA 2.018 58.286 56.287 -0.031 0.000 0.927 621 K CB -0.336 32.305 32.500 0.236 0.000 0.712 621 K HN 0.637 nan 8.250 nan 0.000 0.441 622 H N 0.351 119.226 119.070 -0.324 0.000 2.326 622 H HA -0.007 4.563 4.556 0.024 0.000 0.301 622 H C 1.932 176.978 175.328 -0.470 0.000 1.081 622 H CA 1.699 57.347 56.048 -0.666 0.000 1.334 622 H CB 0.097 29.508 29.762 -0.585 0.000 1.385 622 H HN 0.227 nan 8.280 nan 0.000 0.504 623 Q N 0.219 119.767 119.800 -0.419 0.000 2.224 623 Q HA -0.073 4.282 4.340 0.024 0.000 0.203 623 Q C 1.499 176.960 176.000 -0.899 0.000 0.970 623 Q CA 1.076 56.553 55.803 -0.544 0.000 0.865 623 Q CB 0.078 28.658 28.738 -0.264 0.000 0.922 623 Q HN 0.707 nan 8.270 nan 0.000 0.445 624 Q N 0.176 119.395 119.800 -0.967 0.000 2.280 624 Q HA 0.077 4.431 4.340 0.024 0.000 0.202 624 Q C -0.098 175.349 176.000 -0.922 0.000 0.903 624 Q CA -0.207 54.874 55.803 -1.204 0.000 0.948 624 Q CB 0.307 28.367 28.738 -1.129 0.000 1.058 624 Q HN 0.362 nan 8.270 nan 0.000 0.493 625 Q N -0.419 118.997 119.800 -0.640 0.000 2.428 625 Q HA -0.046 4.308 4.340 0.024 0.000 0.276 625 Q C -0.129 175.547 176.000 -0.540 0.000 1.059 625 Q CA 0.413 55.984 55.803 -0.387 0.000 0.923 625 Q CB 0.453 29.041 28.738 -0.250 0.000 1.283 625 Q HN 0.309 nan 8.270 nan 0.000 0.447 626 F N 0.388 120.126 119.950 -0.353 0.000 2.727 626 F HA 0.214 4.755 4.527 0.023 0.000 0.302 626 F C -0.147 175.130 175.800 -0.872 0.000 1.097 626 F CA 0.008 57.577 58.000 -0.719 0.000 1.330 626 F CB 0.529 38.816 39.000 -1.189 0.000 1.084 626 F HN 0.308 nan 8.300 nan 0.000 0.578 627 F N 0.211 120.102 119.950 -0.099 0.000 2.520 627 F HA 0.498 5.040 4.527 0.025 0.000 0.322 627 F C -0.051 175.414 175.800 -0.558 0.000 1.103 627 F CA -1.059 56.773 58.000 -0.280 0.000 0.926 627 F CB 1.330 40.205 39.000 -0.209 0.000 1.154 627 F HN -0.331 nan 8.300 nan 0.000 0.453 628 Q N 2.729 122.247 119.800 -0.471 0.000 2.351 628 Q HA 0.632 4.986 4.340 0.024 0.000 0.273 628 Q C -1.349 174.308 176.000 -0.571 0.000 1.077 628 Q CA -0.711 54.851 55.803 -0.403 0.000 0.843 628 Q CB 2.976 31.618 28.738 -0.161 0.000 1.367 628 Q HN 0.578 nan 8.270 nan 0.000 0.449 629 F N -0.292 119.785 119.950 0.211 0.000 2.613 629 F HA 0.618 5.160 4.527 0.024 0.000 0.314 629 F C 0.185 176.219 175.800 0.389 0.000 1.075 629 F CA -0.872 57.325 58.000 0.328 0.000 0.945 629 F CB 2.139 41.454 39.000 0.526 0.000 1.310 629 F HN 0.172 nan 8.300 nan 0.000 0.467 630 R N 1.013 121.830 120.500 0.528 0.000 2.774 630 R HA 0.780 5.134 4.340 0.024 0.000 0.272 630 R C -2.077 174.288 176.300 0.109 0.000 1.000 630 R CA -1.249 55.080 56.100 0.382 0.000 0.906 630 R CB 2.978 33.397 30.300 0.198 0.000 1.227 630 R HN 0.552 nan 8.270 nan 0.000 0.468 631 L N -0.109 121.051 121.223 -0.104 0.000 2.381 631 L HA 0.651 5.006 4.340 0.024 0.000 0.268 631 L C -1.189 175.537 176.870 -0.239 0.000 0.997 631 L CA -0.027 54.544 54.840 -0.447 0.000 0.818 631 L CB 2.386 43.758 42.059 -1.145 0.000 1.310 631 L HN 0.564 nan 8.230 nan 0.000 0.416 632 S N 3.264 118.839 115.700 -0.208 0.000 2.737 632 S HA 0.654 5.138 4.470 0.024 0.000 0.269 632 S C 0.200 174.716 174.600 -0.140 0.000 1.150 632 S CA 0.242 58.362 58.200 -0.133 0.000 1.077 632 S CB 0.211 63.366 63.200 -0.074 0.000 1.075 632 S HN 1.694 nan 8.310 nan 0.000 0.476 633 G N 4.460 113.176 108.800 -0.140 0.000 2.602 633 G HA2 -0.355 3.619 3.960 0.024 0.000 0.310 633 G HA3 -0.355 3.619 3.960 0.024 0.000 0.310 633 G C 0.507 175.307 174.900 -0.165 0.000 1.183 633 G CA 0.983 46.005 45.100 -0.129 0.000 0.979 633 G HN 0.725 nan 8.290 nan 0.000 0.545 634 Q N 1.013 120.722 119.800 -0.150 0.000 2.280 634 Q HA 0.386 4.740 4.340 0.024 0.000 0.201 634 Q C 0.401 176.280 176.000 -0.202 0.000 0.890 634 Q CA 0.808 56.500 55.803 -0.186 0.000 0.947 634 Q CB 0.400 29.045 28.738 -0.154 0.000 1.081 634 Q HN 0.551 nan 8.270 nan 0.000 0.502 635 T N 0.295 114.743 114.554 -0.176 0.000 2.795 635 T HA 0.508 4.872 4.350 0.024 0.000 0.282 635 T C -0.285 174.305 174.700 -0.183 0.000 0.980 635 T CA -0.401 61.608 62.100 -0.152 0.000 1.012 635 T CB 1.038 69.848 68.868 -0.097 0.000 0.936 635 T HN 0.073 nan 8.240 nan 0.000 0.457 636 I N 2.622 123.102 120.570 -0.149 0.000 2.354 636 I HA 0.324 4.508 4.170 0.024 0.000 0.292 636 I C 0.423 176.558 176.117 0.031 0.000 0.989 636 I CA -0.586 60.652 61.300 -0.103 0.000 1.188 636 I CB 1.462 39.425 38.000 -0.062 0.000 1.342 636 I HN 0.573 nan 8.210 nan 0.000 0.457 637 E N 6.600 126.853 120.200 0.088 0.000 2.113 637 E HA 0.441 4.805 4.350 0.024 0.000 0.273 637 E C -1.557 175.151 176.600 0.181 0.000 0.924 637 E CA -0.602 55.863 56.400 0.109 0.000 0.764 637 E CB 1.566 31.313 29.700 0.079 0.000 1.104 637 E HN 0.350 nan 8.360 nan 0.000 0.406 638 V N 4.284 124.289 119.914 0.152 0.000 2.398 638 V HA 0.316 4.450 4.120 0.024 0.000 0.286 638 V C 0.009 176.137 176.094 0.057 0.000 1.026 638 V CA -0.512 61.850 62.300 0.104 0.000 0.868 638 V CB 1.650 33.571 31.823 0.163 0.000 0.982 638 V HN 0.709 nan 8.190 nan 0.000 0.443 639 T N 3.302 117.845 114.554 -0.017 0.000 2.829 639 T HA 0.364 4.729 4.350 0.024 0.000 0.280 639 T C -0.096 174.607 174.700 0.005 0.000 0.999 639 T CA -0.284 61.816 62.100 0.001 0.000 0.983 639 T CB 1.624 70.468 68.868 -0.040 0.000 0.968 639 T HN 0.660 nan 8.240 nan 0.000 0.446 640 S N 1.566 117.271 115.700 0.008 0.000 2.480 640 S HA 0.232 4.717 4.470 0.024 0.000 0.286 640 S C 0.706 175.179 174.600 -0.212 0.000 1.180 640 S CA -0.597 57.527 58.200 -0.126 0.000 1.075 640 S CB 0.572 63.771 63.200 -0.001 0.000 0.996 640 S HN 0.711 nan 8.310 nan 0.000 0.487 641 E N 3.143 123.122 120.200 -0.368 0.000 2.444 641 E HA 0.089 4.453 4.350 0.024 0.000 0.191 641 E C -0.802 175.614 176.600 -0.306 0.000 1.041 641 E CA -0.095 56.127 56.400 -0.297 0.000 0.883 641 E CB 0.270 29.783 29.700 -0.311 0.000 1.024 641 E HN 0.674 nan 8.360 nan 0.000 0.470 642 Y N 0.345 120.525 120.300 -0.199 0.000 2.397 642 Y HA 0.015 4.579 4.550 0.023 0.000 0.335 642 Y C 1.424 177.161 175.900 -0.273 0.000 1.213 642 Y CA 0.026 58.005 58.100 -0.202 0.000 1.391 642 Y CB 0.800 39.124 38.460 -0.226 0.000 1.293 642 Y HN -0.017 nan 8.280 nan 0.000 0.557 643 L N 1.363 122.415 121.223 -0.286 0.000 2.354 643 L HA 0.046 4.400 4.340 0.024 0.000 0.212 643 L C 0.724 177.187 176.870 -0.677 0.000 1.091 643 L CA 0.777 55.212 54.840 -0.674 0.000 0.828 643 L CB 0.025 41.263 42.059 -1.369 0.000 0.973 643 L HN 0.677 nan 8.230 nan 0.000 0.461 644 F N -0.603 119.365 119.950 0.031 0.000 2.699 644 F HA 0.199 4.739 4.527 0.022 0.000 0.295 644 F C 1.254 177.055 175.800 0.002 0.000 1.052 644 F CA -0.774 57.224 58.000 -0.004 0.000 1.239 644 F CB 0.446 39.425 39.000 -0.036 0.000 1.018 644 F HN -0.138 nan 8.300 nan 0.000 0.627 645 R N 0.354 120.924 120.500 0.118 0.000 2.598 645 R HA 0.414 4.768 4.340 0.024 0.000 0.279 645 R C -0.619 175.705 176.300 0.039 0.000 0.984 645 R CA -0.603 55.523 56.100 0.042 0.000 0.999 645 R CB 0.817 31.033 30.300 -0.140 0.000 1.114 645 R HN 0.117 nan 8.270 nan 0.000 0.493 646 H N 0.348 119.415 119.070 -0.005 0.000 2.544 646 H HA 0.056 4.626 4.556 0.024 0.000 0.365 646 H C 0.189 175.536 175.328 0.031 0.000 1.268 646 H CA 0.112 56.183 56.048 0.039 0.000 1.400 646 H CB 1.497 31.286 29.762 0.045 0.000 1.538 646 H HN 0.759 nan 8.280 nan 0.000 0.597 647 S N 0.871 116.704 115.700 0.221 0.000 4.183 647 S HA -0.041 4.443 4.470 0.024 0.000 0.195 647 S C 0.224 174.913 174.600 0.147 0.000 1.421 647 S CA -0.684 57.651 58.200 0.225 0.000 0.920 647 S CB -0.778 62.614 63.200 0.321 0.000 1.525 647 S HN 0.565 nan 8.310 nan 0.000 0.447 648 D N 0.612 121.074 120.400 0.104 0.000 2.325 648 D HA 0.058 4.712 4.640 0.024 0.000 0.234 648 D C 0.329 176.658 176.300 0.047 0.000 1.122 648 D CA -0.210 53.832 54.000 0.070 0.000 0.850 648 D CB -0.323 40.506 40.800 0.048 0.000 0.921 648 D HN 0.502 nan 8.370 nan 0.000 0.513 649 N N 0.029 118.763 118.700 0.057 0.000 2.636 649 N HA 0.166 4.920 4.740 0.024 0.000 0.287 649 N C -1.585 173.964 175.510 0.065 0.000 1.817 649 N CA -0.209 52.869 53.050 0.046 0.000 0.842 649 N CB 0.314 38.819 38.487 0.031 0.000 1.353 649 N HN -0.037 nan 8.380 nan 0.000 0.500 650 E N 0.047 120.277 120.200 0.050 0.000 2.363 650 E HA 0.510 4.874 4.350 0.024 0.000 0.281 650 E C -1.361 175.234 176.600 -0.009 0.000 0.953 650 E CA -0.733 55.677 56.400 0.017 0.000 0.778 650 E CB 2.101 31.792 29.700 -0.015 0.000 1.220 650 E HN 0.286 nan 8.360 nan 0.000 0.431 651 L N 0.217 121.419 121.223 -0.035 0.000 2.393 651 L HA 0.731 5.085 4.340 0.024 0.000 0.260 651 L C -1.596 175.251 176.870 -0.038 0.000 1.002 651 L CA -1.229 53.608 54.840 -0.005 0.000 0.818 651 L CB 1.480 43.567 42.059 0.046 0.000 1.369 651 L HN 0.572 nan 8.230 nan 0.000 0.412 652 L N 1.832 123.101 121.223 0.077 0.000 2.295 652 L HA 0.526 4.881 4.340 0.024 0.000 0.285 652 L C -0.610 176.443 176.870 0.305 0.000 1.035 652 L CA 0.176 55.100 54.840 0.141 0.000 0.806 652 L CB 1.091 43.272 42.059 0.204 0.000 1.214 652 L HN 0.633 nan 8.230 nan 0.000 0.426 653 H N 4.802 123.952 119.070 0.133 0.000 2.499 653 H HA 0.513 5.083 4.556 0.024 0.000 0.340 653 H C -1.241 174.188 175.328 0.169 0.000 1.148 653 H CA -0.762 55.325 56.048 0.066 0.000 1.215 653 H CB 1.321 31.080 29.762 -0.005 0.000 1.529 653 H HN 0.672 nan 8.280 nan 0.000 0.510 654 W N 2.833 124.228 121.300 0.158 0.000 3.107 654 W HA 0.527 5.201 4.660 0.023 0.000 0.331 654 W C -2.121 174.441 176.519 0.073 0.000 1.204 654 W CA -1.233 56.181 57.345 0.114 0.000 1.184 654 W CB 1.493 31.010 29.460 0.095 0.000 1.421 654 W HN 0.501 nan 8.180 nan 0.000 0.544 655 M N 3.220 123.029 119.600 0.349 0.000 2.365 655 M HA 0.588 5.082 4.480 0.024 0.000 0.287 655 M C -2.588 173.914 176.300 0.337 0.000 1.154 655 M CA -0.578 54.794 55.300 0.120 0.000 0.941 655 M CB 1.956 34.549 32.600 -0.013 0.000 1.704 655 M HN 0.196 nan 8.290 nan 0.000 0.479 656 V N 4.194 124.300 119.914 0.319 0.000 2.409 656 V HA 0.994 5.128 4.120 0.024 0.000 0.291 656 V C -0.338 175.869 176.094 0.189 0.000 1.020 656 V CA -0.128 62.352 62.300 0.301 0.000 0.848 656 V CB 1.042 33.058 31.823 0.321 0.000 0.990 656 V HN 1.072 nan 8.190 nan 0.000 0.430 657 A N 4.907 127.846 122.820 0.199 0.000 2.435 657 A HA 0.924 5.258 4.320 0.024 0.000 0.304 657 A C -1.419 176.286 177.584 0.201 0.000 1.064 657 A CA -0.636 51.488 52.037 0.144 0.000 0.727 657 A CB 1.772 20.817 19.000 0.075 0.000 1.284 657 A HN 0.850 nan 8.150 nan 0.000 0.415 658 L N 1.349 122.657 121.223 0.143 0.000 2.298 658 L HA 0.545 4.899 4.340 0.024 0.000 0.284 658 L C -0.540 176.426 176.870 0.161 0.000 1.013 658 L CA 0.160 55.102 54.840 0.170 0.000 0.824 658 L CB 0.648 42.772 42.059 0.108 0.000 1.221 658 L HN 0.781 nan 8.230 nan 0.000 0.418 659 D N 4.474 125.036 120.400 0.271 0.000 2.701 659 D HA -0.226 4.428 4.640 0.024 0.000 0.235 659 D C 1.087 177.400 176.300 0.022 0.000 1.155 659 D CA 1.372 55.500 54.000 0.213 0.000 0.649 659 D CB -1.208 39.693 40.800 0.168 0.000 1.050 659 D HN 1.258 nan 8.370 nan 0.000 0.425 660 G N -0.684 108.091 108.800 -0.041 0.000 2.241 660 G HA2 -0.346 3.628 3.960 0.024 0.000 0.244 660 G HA3 -0.346 3.628 3.960 0.024 0.000 0.244 660 G C 0.170 174.977 174.900 -0.154 0.000 0.998 660 G CA 0.453 45.423 45.100 -0.218 0.000 0.621 660 G HN 0.505 nan 8.290 nan 0.000 0.519 661 K N 1.835 122.199 120.400 -0.061 0.000 2.234 661 K HA 0.517 4.852 4.320 0.024 0.000 0.277 661 K C -2.869 173.716 176.600 -0.025 0.000 1.038 661 K CA -1.989 54.266 56.287 -0.053 0.000 0.888 661 K CB 1.882 34.368 32.500 -0.024 0.000 1.091 661 K HN 0.057 nan 8.250 nan 0.000 0.467 662 P HA 0.045 nan 4.420 nan 0.000 0.271 662 P C -0.142 177.152 177.300 -0.009 0.000 1.216 662 P CA -0.024 63.057 63.100 -0.032 0.000 0.771 662 P CB 0.645 32.302 31.700 -0.072 0.000 0.864 663 L N 1.355 122.592 121.223 0.024 0.000 2.653 663 L HA 0.529 4.883 4.340 0.024 0.000 0.230 663 L C 0.836 177.733 176.870 0.045 0.000 1.055 663 L CA 0.216 55.078 54.840 0.038 0.000 0.880 663 L CB 0.149 42.248 42.059 0.067 0.000 1.195 663 L HN 0.350 nan 8.230 nan 0.000 0.492 664 A N -0.118 122.740 122.820 0.063 0.000 2.604 664 A HA 0.746 5.081 4.320 0.024 0.000 0.295 664 A C -0.839 176.645 177.584 -0.166 0.000 1.067 664 A CA 0.005 52.079 52.037 0.062 0.000 0.683 664 A CB 1.618 20.778 19.000 0.267 0.000 1.281 664 A HN 0.077 nan 8.150 nan 0.000 0.407 665 S N -0.507 114.828 115.700 -0.608 0.000 2.615 665 S HA 0.961 5.445 4.470 0.024 0.000 0.268 665 S C -0.222 173.474 174.600 -1.506 0.000 1.146 665 S CA -0.038 57.284 58.200 -1.463 0.000 0.818 665 S CB 0.944 63.701 63.200 -0.737 0.000 1.111 665 S HN 2.655 nan 8.310 nan 0.000 0.465 666 G N -0.114 107.611 108.800 -1.792 0.000 2.428 666 G HA2 0.621 4.595 3.960 0.024 0.000 0.304 666 G HA3 0.621 4.595 3.960 0.024 0.000 0.304 666 G C -2.431 172.145 174.900 -0.539 0.000 1.303 666 G CA -0.760 43.865 45.100 -0.791 0.000 0.825 666 G HN 0.983 nan 8.290 nan 0.000 0.484 667 E N -1.178 118.984 120.200 -0.062 0.000 2.356 667 E HA 0.657 5.021 4.350 0.024 0.000 0.275 667 E C -1.653 175.085 176.600 0.231 0.000 0.904 667 E CA -1.022 55.457 56.400 0.132 0.000 0.757 667 E CB 3.066 32.819 29.700 0.088 0.000 1.232 667 E HN 0.397 nan 8.360 nan 0.000 0.442 668 V N 1.689 121.760 119.914 0.262 0.000 2.686 668 V HA 0.382 4.516 4.120 0.024 0.000 0.306 668 V C -2.495 173.689 176.094 0.150 0.000 1.065 668 V CA -2.027 60.392 62.300 0.199 0.000 0.894 668 V CB 2.079 34.032 31.823 0.216 0.000 1.004 668 V HN 0.624 nan 8.190 nan 0.000 0.424 669 P HA 0.310 nan 4.420 nan 0.000 0.271 669 P C -0.918 176.430 177.300 0.080 0.000 1.216 669 P CA -0.073 63.079 63.100 0.087 0.000 0.776 669 P CB 0.702 32.447 31.700 0.074 0.000 0.881 670 L N 3.001 124.261 121.223 0.062 0.000 2.296 670 L HA 0.373 4.727 4.340 0.024 0.000 0.286 670 L C 0.185 177.104 176.870 0.083 0.000 1.023 670 L CA -0.177 54.695 54.840 0.054 0.000 0.812 670 L CB 1.375 43.421 42.059 -0.021 0.000 1.223 670 L HN 0.320 nan 8.230 nan 0.000 0.421 671 D N 3.531 123.994 120.400 0.106 0.000 2.468 671 D HA 0.304 4.958 4.640 0.024 0.000 0.272 671 D C -1.206 175.193 176.300 0.164 0.000 1.221 671 D CA -0.172 53.916 54.000 0.147 0.000 0.860 671 D CB 1.032 41.911 40.800 0.131 0.000 1.190 671 D HN 0.031 nan 8.370 nan 0.000 0.509 672 V N 1.693 121.705 119.914 0.164 0.000 2.459 672 V HA 0.813 4.948 4.120 0.024 0.000 0.295 672 V C 0.957 177.002 176.094 -0.083 0.000 1.029 672 V CA -1.107 61.257 62.300 0.107 0.000 0.874 672 V CB 1.209 33.154 31.823 0.202 0.000 0.985 672 V HN 0.572 nan 8.190 nan 0.000 0.438 673 A N 7.109 129.764 122.820 -0.275 0.000 2.346 673 A HA 0.633 4.967 4.320 0.024 0.000 0.252 673 A C -2.238 175.145 177.584 -0.336 0.000 1.089 673 A CA -1.340 50.225 52.037 -0.787 0.000 0.797 673 A CB -0.222 18.525 19.000 -0.421 0.000 1.047 673 A HN 0.681 nan 8.150 nan 0.000 0.494 674 P HA 0.026 nan 4.420 nan 0.000 0.264 674 P C -0.493 176.741 177.300 -0.110 0.000 1.193 674 P CA 0.563 63.592 63.100 -0.119 0.000 0.763 674 P CB 0.668 32.313 31.700 -0.091 0.000 0.810 675 Q N -0.844 118.897 119.800 -0.098 0.000 2.362 675 Q HA -0.167 4.187 4.340 0.024 0.000 0.220 675 Q C 0.769 176.733 176.000 -0.061 0.000 0.713 675 Q CA 1.826 57.576 55.803 -0.089 0.000 1.345 675 Q CB -2.466 26.218 28.738 -0.090 0.000 1.570 675 Q HN 0.770 nan 8.270 nan 0.000 0.701 676 G N 0.008 108.776 108.800 -0.054 0.000 2.532 676 G HA2 0.587 4.561 3.960 0.024 0.000 0.291 676 G HA3 0.587 4.561 3.960 0.024 0.000 0.291 676 G C -0.273 174.630 174.900 0.005 0.000 1.349 676 G CA -0.503 44.580 45.100 -0.027 0.000 1.038 676 G HN -0.012 nan 8.290 nan 0.000 0.518 677 K N -0.871 119.542 120.400 0.022 0.000 2.443 677 K HA 0.456 4.790 4.320 0.024 0.000 0.251 677 K C -1.123 175.510 176.600 0.056 0.000 0.972 677 K CA -0.615 55.697 56.287 0.041 0.000 0.833 677 K CB 2.616 35.134 32.500 0.030 0.000 1.317 677 K HN 0.547 nan 8.250 nan 0.000 0.441 678 Q N 2.720 122.563 119.800 0.071 0.000 2.305 678 Q HA 0.416 4.770 4.340 0.024 0.000 0.271 678 Q C -1.690 174.350 176.000 0.067 0.000 1.046 678 Q CA -0.670 55.176 55.803 0.072 0.000 0.798 678 Q CB 1.423 30.214 28.738 0.088 0.000 1.286 678 Q HN 0.518 nan 8.270 nan 0.000 0.435 679 L N 4.833 126.086 121.223 0.048 0.000 2.295 679 L HA 0.582 4.936 4.340 0.024 0.000 0.285 679 L C -0.488 176.397 176.870 0.025 0.000 1.035 679 L CA -0.737 54.122 54.840 0.032 0.000 0.806 679 L CB 1.456 43.523 42.059 0.014 0.000 1.214 679 L HN 0.615 nan 8.230 nan 0.000 0.426 680 I N 2.497 123.073 120.570 0.010 0.000 2.410 680 I HA 0.225 4.409 4.170 0.024 0.000 0.286 680 I C -0.403 175.673 176.117 -0.068 0.000 1.009 680 I CA -0.555 60.740 61.300 -0.008 0.000 1.111 680 I CB 2.186 40.196 38.000 0.016 0.000 1.262 680 I HN 0.520 nan 8.210 nan 0.000 0.443 681 E N 6.485 126.645 120.200 -0.067 0.000 2.229 681 E HA 0.414 4.779 4.350 0.024 0.000 0.283 681 E C -0.870 175.628 176.600 -0.170 0.000 1.030 681 E CA -0.239 56.097 56.400 -0.107 0.000 0.836 681 E CB 0.919 30.576 29.700 -0.072 0.000 1.068 681 E HN 0.406 nan 8.360 nan 0.000 0.401 682 L N 6.162 127.229 121.223 -0.261 0.000 2.436 682 L HA 0.379 4.734 4.340 0.024 0.000 0.265 682 L C -1.798 174.922 176.870 -0.251 0.000 1.168 682 L CA -1.986 52.613 54.840 -0.402 0.000 0.815 682 L CB 0.633 42.360 42.059 -0.554 0.000 1.109 682 L HN 0.487 nan 8.230 nan 0.000 0.462 683 P HA 0.033 nan 4.420 nan 0.000 0.275 683 P C -0.726 176.523 177.300 -0.086 0.000 1.228 683 P CA -0.445 62.605 63.100 -0.084 0.000 0.786 683 P CB 0.499 32.203 31.700 0.007 0.000 0.927 684 E N 2.934 123.103 120.200 -0.052 0.000 2.481 684 E HA -0.019 4.345 4.350 0.024 0.000 0.263 684 E C -1.345 175.244 176.600 -0.018 0.000 0.992 684 E CA 0.419 56.794 56.400 -0.042 0.000 0.938 684 E CB 0.120 29.806 29.700 -0.024 0.000 0.933 684 E HN 0.254 nan 8.360 nan 0.000 0.453 685 L N 5.204 126.418 121.223 -0.016 0.000 2.354 685 L HA 0.424 4.778 4.340 0.024 0.000 0.269 685 L C -2.057 174.824 176.870 0.018 0.000 1.005 685 L CA -2.063 52.788 54.840 0.018 0.000 0.819 685 L CB 1.559 43.642 42.059 0.040 0.000 1.311 685 L HN 0.581 nan 8.230 nan 0.000 0.423 686 P HA 0.014 nan 4.420 nan 0.000 0.266 686 P C -0.738 176.575 177.300 0.022 0.000 1.193 686 P CA -0.407 62.707 63.100 0.023 0.000 0.770 686 P CB 0.380 32.097 31.700 0.028 0.000 0.836 687 Q N 2.458 122.268 119.800 0.015 0.000 2.432 687 Q HA 0.192 4.546 4.340 0.024 0.000 0.264 687 Q C -1.780 174.232 176.000 0.021 0.000 1.035 687 Q CA -1.137 54.675 55.803 0.014 0.000 0.908 687 Q CB -0.758 27.986 28.738 0.010 0.000 1.280 687 Q HN 0.426 nan 8.270 nan 0.000 0.455 688 P HA 0.188 nan 4.420 nan 0.000 0.279 688 P C -0.594 176.720 177.300 0.024 0.000 1.252 688 P CA -0.254 62.863 63.100 0.029 0.000 0.811 688 P CB 0.914 32.635 31.700 0.035 0.000 1.035 689 E N 0.192 120.407 120.200 0.025 0.000 2.152 689 E HA -0.020 4.344 4.350 0.024 0.000 0.192 689 E C 0.721 177.334 176.600 0.023 0.000 0.983 689 E CA 0.775 57.188 56.400 0.021 0.000 0.818 689 E CB -0.026 29.686 29.700 0.019 0.000 0.758 689 E HN 0.559 nan 8.360 nan 0.000 0.467 690 S N -0.240 115.477 115.700 0.028 0.000 2.704 690 S HA 0.727 5.211 4.470 0.024 0.000 0.296 690 S C -0.259 174.362 174.600 0.035 0.000 1.138 690 S CA -0.914 57.305 58.200 0.031 0.000 0.875 690 S CB 1.539 64.758 63.200 0.032 0.000 1.151 690 S HN 0.136 nan 8.310 nan 0.000 0.500 691 A N -0.162 122.680 122.820 0.037 0.000 2.406 691 A HA 0.755 5.089 4.320 0.024 0.000 0.243 691 A C 0.927 178.543 177.584 0.053 0.000 1.082 691 A CA 0.409 52.470 52.037 0.040 0.000 0.786 691 A CB -0.781 18.244 19.000 0.041 0.000 1.029 691 A HN 2.385 nan 8.150 nan 0.000 0.495 692 G N -0.658 108.173 108.800 0.053 0.000 2.361 692 G HA2 0.437 4.412 3.960 0.024 0.000 0.331 692 G HA3 0.437 4.412 3.960 0.024 0.000 0.331 692 G C -1.080 173.856 174.900 0.060 0.000 1.324 692 G CA -0.159 44.986 45.100 0.077 0.000 0.984 692 G HN 1.195 nan 8.290 nan 0.000 0.586 693 Q N -0.262 119.592 119.800 0.090 0.000 2.290 693 Q HA 0.729 5.083 4.340 0.024 0.000 0.259 693 Q C -0.334 175.708 176.000 0.071 0.000 0.941 693 Q CA -0.529 55.280 55.803 0.009 0.000 0.912 693 Q CB 1.200 29.925 28.738 -0.021 0.000 1.244 693 Q HN 0.578 nan 8.270 nan 0.000 0.441 694 L N 4.162 125.370 121.223 -0.025 0.000 2.312 694 L HA 0.511 4.865 4.340 0.024 0.000 0.281 694 L C -0.793 176.058 176.870 -0.032 0.000 1.070 694 L CA -0.470 54.410 54.840 0.067 0.000 0.805 694 L CB 0.800 42.883 42.059 0.041 0.000 1.174 694 L HN 0.675 nan 8.230 nan 0.000 0.434 695 W N 3.909 125.278 121.300 0.115 0.000 2.785 695 W HA 0.513 5.187 4.660 0.023 0.000 0.333 695 W C -0.872 175.759 176.519 0.187 0.000 1.062 695 W CA -0.518 56.919 57.345 0.153 0.000 1.233 695 W CB 1.698 31.274 29.460 0.194 0.000 1.413 695 W HN 0.107 nan 8.180 nan 0.000 0.489 696 L N 3.601 125.102 121.223 0.463 0.000 2.296 696 L HA 0.722 5.076 4.340 0.024 0.000 0.286 696 L C -0.271 176.914 176.870 0.525 0.000 1.023 696 L CA 0.098 55.203 54.840 0.441 0.000 0.812 696 L CB 1.071 43.361 42.059 0.385 0.000 1.223 696 L HN 0.333 nan 8.230 nan 0.000 0.421 697 T N 4.997 119.804 114.554 0.421 0.000 2.829 697 T HA 0.688 5.053 4.350 0.024 0.000 0.280 697 T C -0.642 174.259 174.700 0.336 0.000 0.999 697 T CA -0.477 61.825 62.100 0.336 0.000 0.983 697 T CB 1.604 70.603 68.868 0.218 0.000 0.968 697 T HN 0.604 nan 8.240 nan 0.000 0.446 698 V N 1.237 121.316 119.914 0.274 0.000 2.823 698 V HA 0.853 4.987 4.120 0.024 0.000 0.312 698 V C -0.967 175.212 176.094 0.141 0.000 1.072 698 V CA -1.132 61.295 62.300 0.212 0.000 0.937 698 V CB 1.984 33.889 31.823 0.137 0.000 1.013 698 V HN 0.862 nan 8.190 nan 0.000 0.430 699 R N 2.477 123.078 120.500 0.169 0.000 2.651 699 R HA 0.742 5.096 4.340 0.024 0.000 0.278 699 R C -1.768 174.605 176.300 0.122 0.000 1.010 699 R CA -0.827 55.384 56.100 0.186 0.000 0.896 699 R CB 2.689 33.070 30.300 0.135 0.000 1.211 699 R HN 0.645 nan 8.270 nan 0.000 0.456 700 V N 3.134 123.148 119.914 0.167 0.000 2.370 700 V HA 0.345 4.479 4.120 0.024 0.000 0.279 700 V C -0.144 175.963 176.094 0.022 0.000 1.029 700 V CA -0.591 61.752 62.300 0.071 0.000 0.870 700 V CB 1.615 33.489 31.823 0.086 0.000 0.984 700 V HN 0.435 nan 8.190 nan 0.000 0.451 701 V N 5.134 124.979 119.914 -0.115 0.000 2.628 701 V HA 0.429 4.563 4.120 0.024 0.000 0.306 701 V C -0.304 175.772 176.094 -0.030 0.000 1.045 701 V CA -0.765 61.466 62.300 -0.115 0.000 0.905 701 V CB 2.093 33.710 31.823 -0.343 0.000 0.997 701 V HN 0.888 nan 8.190 nan 0.000 0.436 702 Q N 5.076 124.906 119.800 0.049 0.000 2.368 702 Q HA 0.293 4.647 4.340 0.024 0.000 0.256 702 Q C -1.853 174.159 176.000 0.020 0.000 0.980 702 Q CA -1.758 54.080 55.803 0.059 0.000 0.887 702 Q CB 1.997 30.796 28.738 0.100 0.000 1.221 702 Q HN 0.457 nan 8.270 nan 0.000 0.458 703 P HA -0.150 nan 4.420 nan 0.000 0.219 703 P C -0.560 176.738 177.300 -0.003 0.000 1.150 703 P CA 1.092 64.198 63.100 0.011 0.000 0.814 703 P CB 0.386 32.098 31.700 0.020 0.000 0.787 704 N N -0.596 118.093 118.700 -0.018 0.000 2.487 704 N HA 0.445 5.199 4.740 0.024 0.000 0.292 704 N C -0.273 175.185 175.510 -0.087 0.000 1.108 704 N CA -0.678 52.348 53.050 -0.041 0.000 0.956 704 N CB 0.960 39.425 38.487 -0.037 0.000 1.176 704 N HN -0.064 nan 8.380 nan 0.000 0.484 705 A N 0.791 123.554 122.820 -0.095 0.000 2.406 705 A HA 0.465 4.799 4.320 0.024 0.000 0.243 705 A C 0.553 178.011 177.584 -0.211 0.000 1.082 705 A CA -0.017 51.926 52.037 -0.155 0.000 0.786 705 A CB 0.034 18.967 19.000 -0.112 0.000 1.029 705 A HN 0.706 nan 8.150 nan 0.000 0.495 706 T N -3.279 111.063 114.554 -0.352 0.000 2.742 706 T HA 0.619 4.983 4.350 0.024 0.000 0.282 706 T C 0.969 175.495 174.700 -0.290 0.000 1.025 706 T CA 0.045 61.924 62.100 -0.367 0.000 1.020 706 T CB 1.069 69.499 68.868 -0.730 0.000 1.317 706 T HN 1.430 nan 8.240 nan 0.000 0.538 707 A N -0.031 122.710 122.820 -0.131 0.000 2.125 707 A HA 0.070 4.404 4.320 0.024 0.000 0.219 707 A C 1.559 179.252 177.584 0.181 0.000 1.156 707 A CA 1.268 53.333 52.037 0.047 0.000 0.671 707 A CB -0.924 18.140 19.000 0.108 0.000 0.794 707 A HN 0.915 nan 8.150 nan 0.000 0.459 708 W N -0.994 120.372 121.300 0.110 0.000 2.702 708 W HA 0.441 5.116 4.660 0.025 0.000 0.369 708 W C -0.249 176.248 176.519 -0.036 0.000 0.987 708 W CA 0.415 57.805 57.345 0.075 0.000 1.702 708 W CB -1.155 28.345 29.460 0.066 0.000 1.138 708 W HN 0.409 nan 8.180 nan 0.000 0.552 709 S N -0.249 115.057 115.700 -0.655 0.000 2.570 709 S HA 0.484 4.968 4.470 0.024 0.000 0.270 709 S C -1.114 173.264 174.600 -0.370 0.000 1.149 709 S CA -0.690 57.147 58.200 -0.604 0.000 0.837 709 S CB 2.836 65.302 63.200 -1.223 0.000 1.124 709 S HN 0.088 nan 8.310 nan 0.000 0.465 710 E N 0.491 120.584 120.200 -0.177 0.000 2.280 710 E HA 0.640 5.004 4.350 0.024 0.000 0.264 710 E C 0.209 176.772 176.600 -0.062 0.000 1.064 710 E CA -0.859 55.488 56.400 -0.089 0.000 0.900 710 E CB 1.251 30.944 29.700 -0.013 0.000 1.123 710 E HN 0.893 nan 8.360 nan 0.000 0.418 711 A N 0.593 123.387 122.820 -0.043 0.000 2.498 711 A HA 0.399 4.733 4.320 0.024 0.000 0.239 711 A C 1.087 178.682 177.584 0.017 0.000 1.068 711 A CA 0.794 52.819 52.037 -0.020 0.000 0.766 711 A CB -0.458 18.534 19.000 -0.014 0.000 1.003 711 A HN 0.807 nan 8.150 nan 0.000 0.497 712 G N 0.461 109.279 108.800 0.031 0.000 2.195 712 G HA2 -0.243 3.731 3.960 0.024 0.000 0.246 712 G HA3 -0.243 3.731 3.960 0.024 0.000 0.246 712 G C 0.285 175.224 174.900 0.064 0.000 0.984 712 G CA 0.629 45.754 45.100 0.042 0.000 0.633 712 G HN 1.716 nan 8.290 nan 0.000 0.525 713 H N 0.963 120.030 119.070 -0.005 0.000 3.094 713 H HA 0.372 4.942 4.556 0.023 0.000 0.320 713 H C 0.802 176.182 175.328 0.087 0.000 1.000 713 H CA 0.538 56.609 56.048 0.038 0.000 1.413 713 H CB 0.116 29.881 29.762 0.004 0.000 1.405 713 H HN 0.323 nan 8.280 nan 0.000 0.586 714 I N 4.866 125.210 120.570 -0.376 0.000 2.312 714 I HA 0.023 4.207 4.170 0.024 0.000 0.291 714 I C 0.930 176.908 176.117 -0.231 0.000 1.031 714 I CA 0.086 61.271 61.300 -0.193 0.000 1.293 714 I CB 1.313 39.255 38.000 -0.097 0.000 1.403 714 I HN 0.763 nan 8.210 nan 0.000 0.484 715 S N 4.332 120.104 115.700 0.119 0.000 2.511 715 S HA 0.541 5.025 4.470 0.024 0.000 0.214 715 S C 0.427 175.302 174.600 0.459 0.000 0.997 715 S CA -0.041 58.374 58.200 0.358 0.000 0.908 715 S CB 0.562 64.089 63.200 0.544 0.000 0.803 715 S HN 0.705 nan 8.310 nan 0.000 0.504 716 A N 0.463 123.590 122.820 0.511 0.000 2.608 716 A HA 0.672 5.006 4.320 0.024 0.000 0.292 716 A C -1.785 176.177 177.584 0.630 0.000 1.066 716 A CA -0.863 51.469 52.037 0.491 0.000 0.676 716 A CB 0.382 19.723 19.000 0.568 0.000 1.277 716 A HN 0.963 nan 8.150 nan 0.000 0.413 717 W N -0.306 121.192 121.300 0.329 0.000 2.989 717 W HA 0.794 5.468 4.660 0.024 0.000 0.344 717 W C -1.260 175.304 176.519 0.076 0.000 1.233 717 W CA -0.580 56.828 57.345 0.107 0.000 1.187 717 W CB 1.148 30.633 29.460 0.042 0.000 1.443 717 W HN 1.017 nan 8.180 nan 0.000 0.573 718 Q N 1.088 120.906 119.800 0.029 0.000 2.479 718 Q HA 0.412 4.766 4.340 0.024 0.000 0.276 718 Q C -1.529 174.291 176.000 -0.300 0.000 0.989 718 Q CA -0.432 55.226 55.803 -0.242 0.000 0.864 718 Q CB 2.352 30.757 28.738 -0.555 0.000 1.444 718 Q HN 0.605 nan 8.270 nan 0.000 0.388 719 Q N 1.583 121.175 119.800 -0.347 0.000 2.433 719 Q HA 0.666 5.020 4.340 0.024 0.000 0.279 719 Q C -1.027 174.837 176.000 -0.226 0.000 1.105 719 Q CA -0.730 55.049 55.803 -0.040 0.000 0.815 719 Q CB 2.556 31.459 28.738 0.276 0.000 1.403 719 Q HN 0.603 nan 8.270 nan 0.000 0.435 720 W N 0.671 122.143 121.300 0.286 0.000 3.217 720 W HA 0.428 5.102 4.660 0.023 0.000 0.323 720 W C -0.450 176.023 176.519 -0.076 0.000 1.216 720 W CA -0.679 56.736 57.345 0.116 0.000 1.194 720 W CB 1.704 31.191 29.460 0.044 0.000 1.397 720 W HN 0.418 nan 8.180 nan 0.000 0.537 721 R N 1.657 122.053 120.500 -0.174 0.000 2.390 721 R HA 0.536 4.890 4.340 0.024 0.000 0.291 721 R C 0.384 176.544 176.300 -0.234 0.000 1.070 721 R CA -0.174 55.537 56.100 -0.649 0.000 1.014 721 R CB 1.218 31.082 30.300 -0.725 0.000 1.007 721 R HN 0.313 nan 8.270 nan 0.000 0.466 722 L N 1.138 122.231 121.223 -0.216 0.000 2.783 722 L HA 0.554 4.908 4.340 0.024 0.000 0.205 722 L C 0.542 177.334 176.870 -0.130 0.000 1.985 722 L CA -1.105 53.667 54.840 -0.113 0.000 2.546 722 L CB -0.075 41.953 42.059 -0.051 0.000 2.829 722 L HN 0.596 nan 8.230 nan 0.000 0.614 723 A N 0.312 123.082 122.820 -0.083 0.000 2.466 723 A HA 0.171 4.505 4.320 0.024 0.000 0.238 723 A C -0.267 177.267 177.584 -0.082 0.000 1.074 723 A CA 0.305 52.299 52.037 -0.072 0.000 0.774 723 A CB 0.071 19.046 19.000 -0.041 0.000 1.015 723 A HN 0.623 nan 8.150 nan 0.000 0.498 724 E N 0.791 120.950 120.200 -0.068 0.000 2.234 724 E HA 0.314 4.678 4.350 0.024 0.000 0.266 724 E C -1.443 175.143 176.600 -0.024 0.000 0.877 724 E CA -0.713 55.654 56.400 -0.056 0.000 0.758 724 E CB 0.919 30.576 29.700 -0.071 0.000 1.170 724 E HN 0.682 nan 8.360 nan 0.000 0.415 725 N N 4.952 123.650 118.700 -0.004 0.000 2.511 725 N HA 0.275 5.029 4.740 0.024 0.000 0.249 725 N C -0.596 174.923 175.510 0.014 0.000 0.971 725 N CA -0.334 52.719 53.050 0.005 0.000 0.938 725 N CB 1.161 39.655 38.487 0.011 0.000 1.131 725 N HN 0.456 nan 8.380 nan 0.000 0.505 726 L N 0.639 121.869 121.223 0.012 0.000 2.439 726 L HA 0.147 4.501 4.340 0.024 0.000 0.269 726 L C 1.316 178.202 176.870 0.026 0.000 1.179 726 L CA -0.024 54.829 54.840 0.021 0.000 0.828 726 L CB 0.476 42.547 42.059 0.020 0.000 1.106 726 L HN 0.344 nan 8.230 nan 0.000 0.467 727 S N 1.307 117.028 115.700 0.034 0.000 2.481 727 S HA 0.251 4.736 4.470 0.024 0.000 0.276 727 S C 0.509 175.127 174.600 0.030 0.000 1.247 727 S CA -0.772 57.449 58.200 0.034 0.000 1.053 727 S CB 0.655 63.880 63.200 0.042 0.000 0.925 727 S HN 0.477 nan 8.310 nan 0.000 0.491 728 V N 2.402 122.331 119.914 0.025 0.000 3.276 728 V HA 0.353 4.487 4.120 0.024 0.000 0.319 728 V C 0.455 176.561 176.094 0.021 0.000 1.427 728 V CA -0.093 62.221 62.300 0.022 0.000 1.102 728 V CB -0.529 31.304 31.823 0.017 0.000 1.020 728 V HN 0.821 nan 8.190 nan 0.000 0.456 729 T N 1.406 115.974 114.554 0.023 0.000 2.737 729 T HA 0.660 5.024 4.350 0.024 0.000 0.296 729 T C -0.229 174.483 174.700 0.021 0.000 0.922 729 T CA -0.443 61.669 62.100 0.021 0.000 1.079 729 T CB 0.888 69.768 68.868 0.021 0.000 0.892 729 T HN 0.227 nan 8.240 nan 0.000 0.514 730 L N 5.989 127.222 121.223 0.017 0.000 2.530 730 L HA 0.225 4.579 4.340 0.024 0.000 0.273 730 L C -0.667 176.211 176.870 0.013 0.000 1.141 730 L CA -1.193 53.656 54.840 0.015 0.000 0.905 730 L CB -1.156 40.910 42.059 0.012 0.000 1.202 730 L HN 0.458 nan 8.230 nan 0.000 0.473 731 P HA -0.255 nan 4.420 nan 0.000 0.222 731 P C -0.133 177.167 177.300 0.000 0.000 0.821 731 P CA 1.799 64.904 63.100 0.008 0.000 1.062 731 P CB 0.030 31.733 31.700 0.004 0.000 0.720 732 A N -2.868 119.946 122.820 -0.010 0.000 1.004 732 A HA 0.497 4.831 4.320 0.024 0.000 0.202 732 A C -0.309 177.248 177.584 -0.046 0.000 0.826 732 A CA -0.429 51.597 52.037 -0.019 0.000 0.508 732 A CB -0.916 18.073 19.000 -0.019 0.000 0.551 732 A HN 0.523 nan 8.150 nan 0.000 0.325 733 A N 2.891 125.694 122.820 -0.027 0.000 2.563 733 A HA 0.486 4.821 4.320 0.024 0.000 0.256 733 A C 1.054 178.593 177.584 -0.075 0.000 1.056 733 A CA 1.042 53.061 52.037 -0.030 0.000 0.775 733 A CB -0.578 18.421 19.000 -0.001 0.000 0.973 733 A HN 2.009 nan 8.150 nan 0.000 0.516 734 S N 2.285 117.934 115.700 -0.084 0.000 2.554 734 S HA -0.017 4.468 4.470 0.024 0.000 0.290 734 S C 0.955 175.524 174.600 -0.050 0.000 1.309 734 S CA 0.503 58.628 58.200 -0.126 0.000 1.047 734 S CB 0.024 63.190 63.200 -0.057 0.000 0.828 734 S HN 0.808 nan 8.310 nan 0.000 0.509 735 H N 0.601 119.687 119.070 0.028 0.000 2.395 735 H HA 0.254 4.824 4.556 0.024 0.000 0.299 735 H C 0.999 176.343 175.328 0.027 0.000 1.070 735 H CA 0.752 56.815 56.048 0.025 0.000 1.356 735 H CB 0.195 29.972 29.762 0.025 0.000 1.401 735 H HN 0.656 nan 8.280 nan 0.000 0.524 736 A N 0.467 123.365 122.820 0.129 0.000 2.437 736 A HA 0.638 4.972 4.320 0.024 0.000 0.288 736 A C -1.107 176.517 177.584 0.065 0.000 1.201 736 A CA -0.671 51.422 52.037 0.093 0.000 0.795 736 A CB 1.468 20.527 19.000 0.099 0.000 1.359 736 A HN 0.097 nan 8.150 nan 0.000 0.435 737 I N 1.469 122.078 120.570 0.064 0.000 2.436 737 I HA 0.335 4.519 4.170 0.024 0.000 0.289 737 I C -2.376 173.784 176.117 0.072 0.000 1.010 737 I CA -1.914 59.417 61.300 0.051 0.000 1.098 737 I CB 2.129 40.155 38.000 0.043 0.000 1.266 737 I HN 0.415 nan 8.210 nan 0.000 0.434 738 P HA 0.090 nan 4.420 nan 0.000 0.271 738 P C -0.842 176.518 177.300 0.101 0.000 1.218 738 P CA 0.116 63.270 63.100 0.090 0.000 0.780 738 P CB 0.459 32.170 31.700 0.020 0.000 0.901 739 H N 2.322 121.427 119.070 0.059 0.000 2.457 739 H HA 0.407 4.977 4.556 0.024 0.000 0.335 739 H C -1.214 174.150 175.328 0.059 0.000 1.115 739 H CA -0.889 55.187 56.048 0.047 0.000 1.219 739 H CB 1.308 31.100 29.762 0.051 0.000 1.471 739 H HN 0.232 nan 8.280 nan 0.000 0.491 740 L N 4.733 125.579 121.223 -0.629 0.000 2.272 740 L HA 0.295 4.649 4.340 0.024 0.000 0.289 740 L C -0.668 175.930 176.870 -0.453 0.000 1.032 740 L CA -0.110 54.511 54.840 -0.364 0.000 0.810 740 L CB 1.424 43.329 42.059 -0.257 0.000 1.205 740 L HN 0.543 nan 8.230 nan 0.000 0.422 741 T N 3.808 118.344 114.554 -0.031 0.000 2.770 741 T HA 0.398 4.762 4.350 0.024 0.000 0.297 741 T C -0.082 174.716 174.700 0.163 0.000 0.997 741 T CA -0.232 61.950 62.100 0.137 0.000 0.949 741 T CB 0.605 69.607 68.868 0.222 0.000 0.941 741 T HN 0.689 nan 8.240 nan 0.000 0.457 742 T N 3.370 118.018 114.554 0.157 0.000 2.829 742 T HA 0.648 5.012 4.350 0.024 0.000 0.282 742 T C 0.239 175.001 174.700 0.103 0.000 0.990 742 T CA -0.640 61.592 62.100 0.219 0.000 1.028 742 T CB 1.057 70.073 68.868 0.247 0.000 0.951 742 T HN 0.697 nan 8.240 nan 0.000 0.460 743 S N 1.854 117.569 115.700 0.025 0.000 2.697 743 S HA 0.483 4.968 4.470 0.024 0.000 0.289 743 S C 0.770 175.321 174.600 -0.082 0.000 1.149 743 S CA -0.887 57.305 58.200 -0.014 0.000 0.850 743 S CB 1.450 64.650 63.200 -0.000 0.000 1.151 743 S HN 0.473 nan 8.310 nan 0.000 0.491 744 E N 0.619 120.783 120.200 -0.061 0.000 2.051 744 E HA -0.129 4.235 4.350 0.024 0.000 0.192 744 E C 1.631 178.154 176.600 -0.128 0.000 0.991 744 E CA 1.713 58.064 56.400 -0.081 0.000 0.799 744 E CB -0.508 29.165 29.700 -0.045 0.000 0.748 744 E HN 0.779 nan 8.360 nan 0.000 0.449 745 M N -0.414 119.127 119.600 -0.099 0.000 2.509 745 M HA 0.279 4.773 4.480 0.024 0.000 0.250 745 M C -0.102 176.117 176.300 -0.136 0.000 1.132 745 M CA 0.278 55.517 55.300 -0.101 0.000 1.080 745 M CB 0.319 32.893 32.600 -0.042 0.000 1.408 745 M HN -0.295 nan 8.290 nan 0.000 0.484 746 D N -0.367 119.935 120.400 -0.163 0.000 2.602 746 D HA 0.421 5.075 4.640 0.024 0.000 0.236 746 D C -1.436 174.776 176.300 -0.147 0.000 1.209 746 D CA -0.322 53.610 54.000 -0.114 0.000 0.831 746 D CB 2.203 43.028 40.800 0.042 0.000 1.478 746 D HN 0.077 nan 8.370 nan 0.000 0.438 747 F N 1.017 121.050 119.950 0.138 0.000 2.402 747 F HA 0.358 4.899 4.527 0.024 0.000 0.355 747 F C 0.198 176.134 175.800 0.227 0.000 1.123 747 F CA -0.721 57.355 58.000 0.126 0.000 1.021 747 F CB 1.188 40.223 39.000 0.059 0.000 1.160 747 F HN 0.040 nan 8.300 nan 0.000 0.451 748 C N 4.651 124.165 119.300 0.356 0.000 2.411 748 C HA 0.740 5.214 4.460 0.024 0.000 0.330 748 C C -0.139 175.033 174.990 0.304 0.000 1.224 748 C CA -0.888 58.326 59.018 0.327 0.000 1.770 748 C CB 1.065 28.937 27.740 0.220 0.000 2.297 748 C HN 0.605 nan 8.230 nan 0.000 0.507 749 I N 2.476 123.278 120.570 0.386 0.000 2.498 749 I HA 0.436 4.620 4.170 0.024 0.000 0.290 749 I C -0.566 175.830 176.117 0.465 0.000 1.032 749 I CA -0.069 61.440 61.300 0.348 0.000 1.073 749 I CB 1.709 39.877 38.000 0.280 0.000 1.251 749 I HN 0.614 nan 8.210 nan 0.000 0.426 750 E N 6.034 126.452 120.200 0.363 0.000 2.222 750 E HA 0.752 5.116 4.350 0.024 0.000 0.267 750 E C -1.388 175.407 176.600 0.326 0.000 0.884 750 E CA -0.664 55.931 56.400 0.325 0.000 0.764 750 E CB 2.630 32.446 29.700 0.193 0.000 1.169 750 E HN 0.353 nan 8.360 nan 0.000 0.413 751 L N 2.526 123.956 121.223 0.345 0.000 2.555 751 L HA 0.616 4.971 4.340 0.024 0.000 0.264 751 L C 0.280 177.257 176.870 0.179 0.000 0.972 751 L CA 0.534 55.543 54.840 0.282 0.000 0.876 751 L CB 0.970 43.239 42.059 0.350 0.000 1.216 751 L HN 0.675 nan 8.230 nan 0.000 0.415 752 G N 4.327 113.192 108.800 0.107 0.000 2.550 752 G HA2 -0.387 3.587 3.960 0.024 0.000 0.277 752 G HA3 -0.387 3.587 3.960 0.024 0.000 0.277 752 G C 0.346 175.261 174.900 0.024 0.000 1.190 752 G CA 0.473 45.610 45.100 0.062 0.000 0.971 752 G HN 1.284 nan 8.290 nan 0.000 0.559 753 N N 1.268 119.968 118.700 -0.000 0.000 2.295 753 N HA 0.198 4.952 4.740 0.024 0.000 0.221 753 N C 0.213 175.681 175.510 -0.071 0.000 1.129 753 N CA 0.502 53.532 53.050 -0.033 0.000 0.836 753 N CB 0.267 38.733 38.487 -0.035 0.000 1.040 753 N HN 0.745 nan 8.380 nan 0.000 0.494 754 K N 0.147 120.491 120.400 -0.092 0.000 2.208 754 K HA 0.484 4.819 4.320 0.024 0.000 0.247 754 K C -0.583 175.840 176.600 -0.296 0.000 0.953 754 K CA -0.724 55.389 56.287 -0.290 0.000 0.837 754 K CB 2.365 34.554 32.500 -0.520 0.000 1.131 754 K HN 0.014 nan 8.250 nan 0.000 0.431 755 R N 1.562 121.831 120.500 -0.385 0.000 2.651 755 R HA 0.388 4.742 4.340 0.024 0.000 0.278 755 R C -1.596 174.652 176.300 -0.087 0.000 1.010 755 R CA -0.621 55.434 56.100 -0.074 0.000 0.896 755 R CB 1.321 31.604 30.300 -0.027 0.000 1.211 755 R HN 0.616 nan 8.270 nan 0.000 0.456 756 W N 2.918 124.335 121.300 0.196 0.000 2.819 756 W HA 0.338 5.012 4.660 0.023 0.000 0.337 756 W C -0.706 175.896 176.519 0.137 0.000 1.077 756 W CA -0.658 56.734 57.345 0.079 0.000 1.226 756 W CB 2.274 31.764 29.460 0.049 0.000 1.419 756 W HN 0.446 nan 8.180 nan 0.000 0.502 757 Q N 2.571 122.481 119.800 0.184 0.000 2.310 757 Q HA 0.402 4.756 4.340 0.024 0.000 0.270 757 Q C -1.899 174.034 176.000 -0.112 0.000 1.025 757 Q CA -0.501 55.413 55.803 0.184 0.000 0.772 757 Q CB 1.421 30.337 28.738 0.296 0.000 1.253 757 Q HN 0.357 nan 8.270 nan 0.000 0.450 758 F N 3.003 123.042 119.950 0.149 0.000 2.388 758 F HA 0.309 4.850 4.527 0.024 0.000 0.358 758 F C 0.639 176.483 175.800 0.075 0.000 1.122 758 F CA -0.822 57.234 58.000 0.093 0.000 1.056 758 F CB 1.136 40.194 39.000 0.096 0.000 1.155 758 F HN 0.474 nan 8.300 nan 0.000 0.461 759 N N 3.539 122.342 118.700 0.173 0.000 2.470 759 N HA 0.092 4.846 4.740 0.024 0.000 0.268 759 N C 0.936 176.479 175.510 0.054 0.000 1.136 759 N CA -0.011 53.094 53.050 0.093 0.000 0.961 759 N CB 0.820 39.363 38.487 0.094 0.000 1.067 759 N HN 0.685 nan 8.380 nan 0.000 0.468 760 R N 2.332 122.794 120.500 -0.063 0.000 2.235 760 R HA -0.036 4.318 4.340 0.024 0.000 0.213 760 R C 1.402 177.657 176.300 -0.075 0.000 1.059 760 R CA 1.063 57.078 56.100 -0.141 0.000 0.997 760 R CB 0.277 30.358 30.300 -0.366 0.000 0.884 760 R HN 0.680 nan 8.270 nan 0.000 0.462 761 Q N -0.460 119.320 119.800 -0.035 0.000 2.259 761 Q HA -0.002 4.352 4.340 0.024 0.000 0.201 761 Q C 2.080 178.084 176.000 0.008 0.000 0.938 761 Q CA 1.345 57.137 55.803 -0.018 0.000 0.872 761 Q CB 0.482 29.219 28.738 -0.002 0.000 0.971 761 Q HN 0.301 nan 8.270 nan 0.000 0.494 762 S N -0.998 114.732 115.700 0.050 0.000 2.439 762 S HA 0.118 4.602 4.470 0.024 0.000 0.224 762 S C 1.571 176.147 174.600 -0.040 0.000 1.029 762 S CA 0.706 58.968 58.200 0.104 0.000 0.946 762 S CB 0.302 63.663 63.200 0.267 0.000 0.797 762 S HN 0.459 nan 8.310 nan 0.000 0.504 763 G N 0.469 109.245 108.800 -0.039 0.000 2.136 763 G HA2 -0.209 3.765 3.960 0.024 0.000 0.242 763 G HA3 -0.209 3.765 3.960 0.024 0.000 0.242 763 G C -0.109 174.719 174.900 -0.121 0.000 0.989 763 G CA 0.323 45.379 45.100 -0.075 0.000 0.682 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.449 118.676 119.950 0.292 0.000 2.598 764 F HA 0.672 5.213 4.527 0.024 0.000 0.327 764 F C 0.475 176.305 175.800 0.050 0.000 1.057 764 F CA -1.437 56.692 58.000 0.215 0.000 0.957 764 F CB 1.429 40.505 39.000 0.127 0.000 1.278 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.769 123.049 121.223 0.094 0.000 2.515 765 L HA 0.171 4.525 4.340 0.024 0.000 0.281 765 L C 0.829 177.596 176.870 -0.172 0.000 1.131 765 L CA 0.479 55.054 54.840 -0.441 0.000 0.905 765 L CB 0.112 41.855 42.059 -0.526 0.000 1.246 765 L HN 0.688 nan 8.230 nan 0.000 0.463 766 S N 2.425 118.031 115.700 -0.158 0.000 2.478 766 S HA 0.184 4.668 4.470 0.024 0.000 0.222 766 S C 0.558 175.025 174.600 -0.221 0.000 1.008 766 S CA -0.047 58.092 58.200 -0.103 0.000 0.928 766 S CB 0.006 63.191 63.200 -0.025 0.000 0.781 766 S HN 0.663 nan 8.310 nan 0.000 0.518 767 Q N -0.145 119.449 119.800 -0.342 0.000 2.472 767 Q HA 0.606 4.960 4.340 0.024 0.000 0.281 767 Q C -1.898 173.688 176.000 -0.690 0.000 0.997 767 Q CA -0.372 55.064 55.803 -0.613 0.000 0.828 767 Q CB 1.652 29.866 28.738 -0.873 0.000 1.443 767 Q HN 0.221 nan 8.270 nan 0.000 0.390 768 M N 2.673 121.772 119.600 -0.835 0.000 2.378 768 M HA 0.505 4.999 4.480 0.024 0.000 0.289 768 M C -1.984 173.925 176.300 -0.651 0.000 1.136 768 M CA -0.093 54.815 55.300 -0.653 0.000 0.917 768 M CB 1.563 33.766 32.600 -0.662 0.000 1.669 768 M HN 0.764 nan 8.290 nan 0.000 0.461 769 W N 5.285 126.348 121.300 -0.395 0.000 2.736 769 W HA 0.538 5.212 4.660 0.024 0.000 0.335 769 W C -0.888 175.440 176.519 -0.318 0.000 1.059 769 W CA -0.716 56.463 57.345 -0.277 0.000 1.226 769 W CB 1.715 31.053 29.460 -0.203 0.000 1.416 769 W HN 0.510 nan 8.180 nan 0.000 0.505 770 I N 3.285 123.848 120.570 -0.013 0.000 2.337 770 I HA 0.330 4.514 4.170 0.024 0.000 0.285 770 I C 0.896 177.005 176.117 -0.013 0.000 1.041 770 I CA 0.457 61.715 61.300 -0.070 0.000 1.199 770 I CB 0.594 38.539 38.000 -0.092 0.000 1.370 770 I HN 0.748 nan 8.210 nan 0.000 0.470 771 G N 6.143 114.930 108.800 -0.021 0.000 2.531 771 G HA2 -0.332 3.642 3.960 0.024 0.000 0.274 771 G HA3 -0.332 3.642 3.960 0.024 0.000 0.274 771 G C 0.390 175.300 174.900 0.017 0.000 1.159 771 G CA 0.456 45.546 45.100 -0.017 0.000 0.969 771 G HN 0.761 nan 8.290 nan 0.000 0.554 772 D N 0.807 121.224 120.400 0.029 0.000 2.340 772 D HA 0.205 4.859 4.640 0.024 0.000 0.217 772 D C 0.428 176.848 176.300 0.201 0.000 1.081 772 D CA 0.339 54.380 54.000 0.069 0.000 0.842 772 D CB 0.208 41.018 40.800 0.016 0.000 0.934 772 D HN 0.310 nan 8.370 nan 0.000 0.511 773 K N 1.320 121.814 120.400 0.156 0.000 2.240 773 K HA 0.273 4.607 4.320 0.024 0.000 0.271 773 K C 0.193 176.802 176.600 0.015 0.000 1.018 773 K CA -0.494 55.848 56.287 0.092 0.000 0.874 773 K CB 1.865 34.373 32.500 0.014 0.000 1.098 773 K HN 0.057 nan 8.250 nan 0.000 0.458 774 K N 2.178 122.513 120.400 -0.108 0.000 2.448 774 K HA -0.013 4.321 4.320 0.024 0.000 0.278 774 K C 1.031 177.467 176.600 -0.273 0.000 1.009 774 K CA 0.141 56.164 56.287 -0.439 0.000 0.995 774 K CB 0.621 32.920 32.500 -0.334 0.000 0.917 774 K HN 0.340 nan 8.250 nan 0.000 0.481 775 Q N 1.631 121.237 119.800 -0.323 0.000 2.317 775 Q HA 0.187 4.541 4.340 0.024 0.000 0.220 775 Q C 0.045 175.964 176.000 -0.135 0.000 0.873 775 Q CA 0.366 56.091 55.803 -0.131 0.000 0.936 775 Q CB 0.581 29.270 28.738 -0.080 0.000 1.105 775 Q HN 0.500 nan 8.270 nan 0.000 0.520 776 L N 0.685 121.760 121.223 -0.247 0.000 2.346 776 L HA 0.388 4.742 4.340 0.024 0.000 0.274 776 L C 0.929 177.666 176.870 -0.221 0.000 1.007 776 L CA -0.366 54.347 54.840 -0.212 0.000 0.818 776 L CB 1.727 43.646 42.059 -0.234 0.000 1.284 776 L HN -0.058 nan 8.230 nan 0.000 0.424 777 L N 0.560 121.645 121.223 -0.229 0.000 2.470 777 L HA 0.218 4.572 4.340 0.024 0.000 0.219 777 L C 0.211 176.962 176.870 -0.197 0.000 1.071 777 L CA 0.701 55.413 54.840 -0.213 0.000 0.850 777 L CB 0.600 42.513 42.059 -0.243 0.000 1.040 777 L HN 0.600 nan 8.230 nan 0.000 0.475 778 T N 0.064 114.478 114.554 -0.233 0.000 2.912 778 T HA 0.402 4.766 4.350 0.024 0.000 0.299 778 T C -2.540 172.085 174.700 -0.125 0.000 1.052 778 T CA -1.127 60.882 62.100 -0.152 0.000 0.996 778 T CB 2.526 71.279 68.868 -0.191 0.000 1.070 778 T HN -0.263 nan 8.240 nan 0.000 0.465 779 P HA 0.161 nan 4.420 nan 0.000 0.270 779 P C -0.676 176.576 177.300 -0.080 0.000 1.227 779 P CA -0.686 62.371 63.100 -0.073 0.000 0.788 779 P CB 0.428 32.110 31.700 -0.030 0.000 0.926 780 L N 2.714 123.926 121.223 -0.019 0.000 2.283 780 L HA 0.284 4.638 4.340 0.024 0.000 0.287 780 L C 0.110 176.917 176.870 -0.105 0.000 1.073 780 L CA 0.523 55.387 54.840 0.040 0.000 0.822 780 L CB -0.529 41.668 42.059 0.231 0.000 1.186 780 L HN 0.275 nan 8.230 nan 0.000 0.436 781 R N 2.690 123.034 120.500 -0.259 0.000 2.795 781 R HA 0.466 4.820 4.340 0.024 0.000 0.275 781 R C -0.976 175.188 176.300 -0.227 0.000 0.981 781 R CA -1.022 54.739 56.100 -0.564 0.000 0.917 781 R CB 1.266 31.104 30.300 -0.770 0.000 1.202 781 R HN 0.541 nan 8.270 nan 0.000 0.469 782 D N 1.207 121.550 120.400 -0.094 0.000 2.400 782 D HA 0.026 4.680 4.640 0.024 0.000 0.238 782 D C -0.410 175.545 176.300 -0.574 0.000 1.157 782 D CA 0.430 54.244 54.000 -0.309 0.000 0.889 782 D CB 0.589 41.144 40.800 -0.408 0.000 1.199 782 D HN 0.234 nan 8.370 nan 0.000 0.436 783 Q N 0.754 120.009 119.800 -0.907 0.000 2.289 783 Q HA 0.348 4.702 4.340 0.024 0.000 0.270 783 Q C -1.274 174.017 176.000 -1.181 0.000 1.038 783 Q CA -0.578 54.748 55.803 -0.796 0.000 0.812 783 Q CB 0.828 29.295 28.738 -0.451 0.000 1.300 783 Q HN 0.552 nan 8.270 nan 0.000 0.427 784 F N 0.823 120.394 119.950 -0.633 0.000 2.688 784 F HA 0.204 4.745 4.527 0.023 0.000 0.310 784 F C 0.530 175.886 175.800 -0.740 0.000 1.098 784 F CA -0.180 57.320 58.000 -0.833 0.000 1.228 784 F CB 1.578 39.741 39.000 -1.395 0.000 1.042 784 F HN 0.454 nan 8.300 nan 0.000 0.557 785 T N -0.903 113.343 114.554 -0.513 0.000 2.916 785 T HA 0.748 5.112 4.350 0.024 0.000 0.292 785 T C -0.567 173.873 174.700 -0.434 0.000 1.064 785 T CA -0.998 60.728 62.100 -0.624 0.000 1.011 785 T CB 2.683 71.107 68.868 -0.740 0.000 1.152 785 T HN 0.231 nan 8.240 nan 0.000 0.510 786 R N -0.012 120.268 120.500 -0.367 0.000 2.795 786 R HA 0.778 5.132 4.340 0.024 0.000 0.275 786 R C -0.732 175.603 176.300 0.058 0.000 0.981 786 R CA -1.227 54.789 56.100 -0.140 0.000 0.917 786 R CB 1.560 31.785 30.300 -0.125 0.000 1.202 786 R HN 0.817 nan 8.270 nan 0.000 0.469 787 A N 3.405 126.252 122.820 0.045 0.000 2.522 787 A HA 0.279 4.613 4.320 0.024 0.000 0.256 787 A C -2.006 175.633 177.584 0.093 0.000 1.086 787 A CA -1.302 50.765 52.037 0.050 0.000 0.763 787 A CB -0.451 18.525 19.000 -0.039 0.000 1.024 787 A HN 0.552 nan 8.150 nan 0.000 0.502 788 P HA 0.112 nan 4.420 nan 0.000 0.264 788 P C -0.190 177.219 177.300 0.181 0.000 1.193 788 P CA 0.389 63.639 63.100 0.249 0.000 0.763 788 P CB 0.355 32.236 31.700 0.302 0.000 0.810 789 L N 2.566 123.862 121.223 0.121 0.000 2.475 789 L HA 0.138 4.492 4.340 0.024 0.000 0.253 789 L C 1.853 178.740 176.870 0.029 0.000 1.198 789 L CA -0.418 54.434 54.840 0.019 0.000 0.814 789 L CB -0.053 41.944 42.059 -0.104 0.000 1.134 789 L HN 0.296 nan 8.230 nan 0.000 0.478 790 D N 0.400 120.756 120.400 -0.073 0.000 2.158 790 D HA -0.167 4.487 4.640 0.024 0.000 0.197 790 D C 1.622 177.838 176.300 -0.141 0.000 0.995 790 D CA 1.437 55.307 54.000 -0.216 0.000 0.846 790 D CB 0.024 40.614 40.800 -0.350 0.000 0.941 790 D HN 0.472 nan 8.370 nan 0.000 0.456 791 N N 0.910 119.546 118.700 -0.107 0.000 2.309 791 N HA -0.098 4.656 4.740 0.024 0.000 0.182 791 N C 1.116 176.634 175.510 0.014 0.000 1.018 791 N CA 0.650 53.666 53.050 -0.056 0.000 0.876 791 N CB -0.109 38.335 38.487 -0.072 0.000 0.972 791 N HN 0.260 nan 8.380 nan 0.000 0.434 792 D N 0.360 120.786 120.400 0.043 0.000 2.234 792 D HA 0.055 4.709 4.640 0.024 0.000 0.205 792 D C 1.976 178.324 176.300 0.079 0.000 0.962 792 D CA 0.344 54.408 54.000 0.106 0.000 0.855 792 D CB 0.212 41.157 40.800 0.240 0.000 0.951 792 D HN 0.314 nan 8.370 nan 0.000 0.500 793 I N 0.306 120.907 120.570 0.052 0.000 2.400 793 I HA 0.043 4.227 4.170 0.024 0.000 0.248 793 I C 1.785 177.921 176.117 0.031 0.000 1.109 793 I CA 0.668 61.985 61.300 0.029 0.000 1.425 793 I CB -0.346 37.640 38.000 -0.024 0.000 1.094 793 I HN 0.058 nan 8.210 nan 0.000 0.425 794 G N 1.272 110.100 108.800 0.047 0.000 2.550 794 G HA2 -0.335 3.639 3.960 0.024 0.000 0.277 794 G HA3 -0.335 3.639 3.960 0.024 0.000 0.277 794 G C 0.631 175.691 174.900 0.267 0.000 1.190 794 G CA 0.670 45.861 45.100 0.151 0.000 0.971 794 G HN 0.501 nan 8.290 nan 0.000 0.559 795 V N -1.856 118.167 119.914 0.182 0.000 3.633 795 V HA 0.583 4.717 4.120 0.024 0.000 0.283 795 V C 1.345 177.465 176.094 0.043 0.000 1.305 795 V CA 1.269 63.630 62.300 0.102 0.000 1.153 795 V CB -0.012 31.756 31.823 -0.091 0.000 0.950 795 V HN 1.238 nan 8.190 nan 0.000 0.432 796 S N 1.039 116.760 115.700 0.036 0.000 2.560 796 S HA 0.309 4.793 4.470 0.024 0.000 0.284 796 S C -0.145 174.464 174.600 0.015 0.000 1.327 796 S CA 0.151 58.356 58.200 0.008 0.000 1.055 796 S CB 0.483 63.685 63.200 0.002 0.000 0.868 796 S HN 0.834 nan 8.310 nan 0.000 0.506 797 E N 1.170 121.374 120.200 0.006 0.000 2.390 797 E HA 0.582 4.947 4.350 0.024 0.000 0.277 797 E C 0.413 177.020 176.600 0.012 0.000 0.939 797 E CA -0.345 56.063 56.400 0.014 0.000 0.769 797 E CB 1.415 31.119 29.700 0.007 0.000 1.251 797 E HN 0.597 nan 8.360 nan 0.000 0.450 798 A N 1.373 124.206 122.820 0.022 0.000 1.948 798 A HA -0.215 4.119 4.320 0.024 0.000 0.220 798 A C 2.019 179.611 177.584 0.014 0.000 1.177 798 A CA 2.585 54.634 52.037 0.020 0.000 0.636 798 A CB -0.941 18.076 19.000 0.028 0.000 0.815 798 A HN 0.663 nan 8.150 nan 0.000 0.449 799 T N -2.791 111.771 114.554 0.013 0.000 2.995 799 T HA -0.012 4.352 4.350 0.024 0.000 0.269 799 T C 0.902 175.599 174.700 -0.005 0.000 1.091 799 T CA 1.177 63.281 62.100 0.007 0.000 1.128 799 T CB -0.135 68.739 68.868 0.010 0.000 0.891 799 T HN 0.458 nan 8.240 nan 0.000 0.492 800 R N 0.883 121.378 120.500 -0.009 0.000 3.101 800 R HA 0.285 4.639 4.340 0.024 0.000 0.242 800 R C -1.290 174.998 176.300 -0.021 0.000 1.831 800 R CA -0.673 55.415 56.100 -0.020 0.000 1.321 800 R CB 0.058 30.338 30.300 -0.033 0.000 1.512 800 R HN 0.175 nan 8.270 nan 0.000 0.568 801 I N 2.323 122.883 120.570 -0.016 0.000 2.683 801 I HA -0.021 4.163 4.170 0.024 0.000 0.286 801 I C 0.461 176.559 176.117 -0.031 0.000 1.175 801 I CA 0.381 61.671 61.300 -0.017 0.000 1.429 801 I CB 0.537 38.529 38.000 -0.014 0.000 1.371 801 I HN 0.533 nan 8.210 nan 0.000 0.569 802 D N 9.583 129.962 120.400 -0.036 0.000 2.467 802 D HA 0.269 4.923 4.640 0.024 0.000 0.220 802 D C -1.704 174.554 176.300 -0.070 0.000 1.103 802 D CA -2.200 51.769 54.000 -0.051 0.000 0.886 802 D CB 1.443 42.216 40.800 -0.045 0.000 1.025 802 D HN 0.195 nan 8.370 nan 0.000 0.514 803 P HA -0.099 nan 4.420 nan 0.000 0.228 803 P C 0.948 178.159 177.300 -0.148 0.000 1.151 803 P CA 0.621 63.665 63.100 -0.094 0.000 0.770 803 P CB 0.207 31.860 31.700 -0.078 0.000 0.786 804 N N -0.196 118.410 118.700 -0.156 0.000 2.416 804 N HA -0.003 4.751 4.740 0.024 0.000 0.177 804 N C 0.465 175.789 175.510 -0.309 0.000 1.036 804 N CA -0.103 52.812 53.050 -0.226 0.000 0.901 804 N CB 0.016 38.401 38.487 -0.170 0.000 0.976 804 N HN -0.036 nan 8.380 nan 0.000 0.444 805 A N 0.377 123.063 122.820 -0.222 0.000 2.483 805 A HA -0.006 4.329 4.320 0.024 0.000 0.238 805 A C 0.589 177.970 177.584 -0.338 0.000 1.070 805 A CA -0.321 51.586 52.037 -0.217 0.000 0.770 805 A CB -0.164 18.782 19.000 -0.090 0.000 1.008 805 A HN 0.470 nan 8.150 nan 0.000 0.497 806 W N 1.543 122.598 121.300 -0.409 0.000 2.318 806 W HA -0.173 4.501 4.660 0.023 0.000 0.313 806 W C 2.224 178.202 176.519 -0.902 0.000 1.221 806 W CA 1.708 58.547 57.345 -0.843 0.000 1.266 806 W CB -0.366 28.468 29.460 -1.044 0.000 1.150 806 W HN 0.549 nan 8.180 nan 0.000 0.496 807 V N 0.862 120.676 119.914 -0.166 0.000 2.469 807 V HA -0.258 3.876 4.120 0.024 0.000 0.251 807 V C 2.090 178.269 176.094 0.142 0.000 1.064 807 V CA 2.071 64.478 62.300 0.179 0.000 1.066 807 V CB -0.318 31.636 31.823 0.218 0.000 0.667 807 V HN 0.093 nan 8.190 nan 0.000 0.461 808 E N -0.113 120.076 120.200 -0.018 0.000 2.158 808 E HA -0.134 4.230 4.350 0.024 0.000 0.191 808 E C 2.324 178.890 176.600 -0.057 0.000 0.982 808 E CA 0.838 57.228 56.400 -0.016 0.000 0.823 808 E CB -0.260 29.406 29.700 -0.057 0.000 0.766 808 E HN 0.617 nan 8.360 nan 0.000 0.468 809 R N -0.129 120.257 120.500 -0.189 0.000 2.075 809 R HA -0.100 4.254 4.340 0.024 0.000 0.232 809 R C 2.245 178.478 176.300 -0.113 0.000 1.126 809 R CA 1.213 57.179 56.100 -0.225 0.000 0.963 809 R CB -0.151 29.893 30.300 -0.426 0.000 0.858 809 R HN 0.228 nan 8.270 nan 0.000 0.435 810 W N 1.519 122.784 121.300 -0.058 0.000 2.381 810 W HA -0.053 4.621 4.660 0.024 0.000 0.301 810 W C 1.890 178.379 176.519 -0.050 0.000 1.205 810 W CA 0.679 57.889 57.345 -0.225 0.000 1.285 810 W CB -0.613 28.853 29.460 0.010 0.000 1.133 810 W HN 0.099 nan 8.180 nan 0.000 0.521 811 K N 0.188 120.811 120.400 0.373 0.000 2.009 811 K HA -0.116 4.218 4.320 0.024 0.000 0.210 811 K C 2.272 178.944 176.600 0.120 0.000 1.049 811 K CA 1.916 58.379 56.287 0.295 0.000 0.929 811 K CB -0.632 31.985 32.500 0.196 0.000 0.714 811 K HN -0.023 nan 8.250 nan 0.000 0.440 812 A N 1.106 123.965 122.820 0.065 0.000 2.019 812 A HA -0.075 4.259 4.320 0.024 0.000 0.219 812 A C 2.195 179.792 177.584 0.021 0.000 1.164 812 A CA 1.750 53.809 52.037 0.038 0.000 0.644 812 A CB -0.512 18.494 19.000 0.010 0.000 0.805 812 A HN 0.350 nan 8.150 nan 0.000 0.449 813 A N -1.934 120.872 122.820 -0.023 0.000 2.208 813 A HA 0.403 4.737 4.320 0.024 0.000 0.209 813 A C 1.806 179.348 177.584 -0.070 0.000 1.161 813 A CA 1.237 53.270 52.037 -0.007 0.000 0.782 813 A CB -0.790 18.164 19.000 -0.076 0.000 0.816 813 A HN 1.861 nan 8.150 nan 0.000 0.477 814 G N -1.502 107.154 108.800 -0.240 0.000 2.132 814 G HA2 -0.295 3.679 3.960 0.024 0.000 0.234 814 G HA3 -0.295 3.679 3.960 0.024 0.000 0.234 814 G C 0.560 175.439 174.900 -0.036 0.000 0.989 814 G CA 0.635 45.360 45.100 -0.626 0.000 0.676 814 G HN 0.747 nan 8.290 nan 0.000 0.522 815 H N -1.470 117.578 119.070 -0.037 0.000 2.387 815 H HA -0.090 4.481 4.556 0.024 0.000 0.299 815 H C 2.091 177.375 175.328 -0.072 0.000 1.099 815 H CA 1.588 57.623 56.048 -0.023 0.000 1.315 815 H CB 0.092 29.785 29.762 -0.115 0.000 1.380 815 H HN 0.614 nan 8.280 nan 0.000 0.513 816 Y N 0.013 120.430 120.300 0.194 0.000 2.544 816 Y HA -0.043 4.521 4.550 0.023 0.000 0.286 816 Y C 1.902 177.877 175.900 0.125 0.000 1.141 816 Y CA 0.134 58.312 58.100 0.129 0.000 1.299 816 Y CB 0.555 39.076 38.460 0.102 0.000 1.030 816 Y HN 0.139 nan 8.280 nan 0.000 0.543 817 Q N -0.317 119.630 119.800 0.245 0.000 2.317 817 Q HA 0.324 4.678 4.340 0.024 0.000 0.220 817 Q C 0.724 176.889 176.000 0.276 0.000 0.873 817 Q CA 0.116 56.058 55.803 0.232 0.000 0.936 817 Q CB 0.293 29.155 28.738 0.208 0.000 1.105 817 Q HN 0.258 nan 8.270 nan 0.000 0.520 818 A N 2.315 125.316 122.820 0.302 0.000 2.498 818 A HA 0.163 4.498 4.320 0.024 0.000 0.239 818 A C 0.022 177.905 177.584 0.500 0.000 1.068 818 A CA 0.207 52.491 52.037 0.413 0.000 0.766 818 A CB 0.133 19.403 19.000 0.450 0.000 1.003 818 A HN 0.139 nan 8.150 nan 0.000 0.497 819 E N 1.463 121.877 120.200 0.357 0.000 2.222 819 E HA 0.559 4.923 4.350 0.024 0.000 0.267 819 E C -0.503 176.023 176.600 -0.124 0.000 0.884 819 E CA -0.910 55.617 56.400 0.211 0.000 0.764 819 E CB 1.766 31.567 29.700 0.168 0.000 1.169 819 E HN 0.724 nan 8.360 nan 0.000 0.413 820 A N 2.075 124.656 122.820 -0.399 0.000 2.524 820 A HA 0.430 4.764 4.320 0.024 0.000 0.250 820 A C -0.010 177.415 177.584 -0.266 0.000 1.078 820 A CA 0.031 51.571 52.037 -0.828 0.000 0.761 820 A CB 0.023 18.722 19.000 -0.501 0.000 1.012 820 A HN 0.640 nan 8.150 nan 0.000 0.500 821 A N 3.003 125.675 122.820 -0.246 0.000 2.303 821 A HA 0.581 4.915 4.320 0.024 0.000 0.320 821 A C -0.323 177.196 177.584 -0.110 0.000 1.192 821 A CA -0.577 51.400 52.037 -0.101 0.000 0.821 821 A CB 0.483 19.439 19.000 -0.072 0.000 1.188 821 A HN 1.230 nan 8.150 nan 0.000 0.492 822 L N 3.000 124.149 121.223 -0.124 0.000 2.410 822 L HA 0.318 4.672 4.340 0.024 0.000 0.273 822 L C 0.476 177.219 176.870 -0.212 0.000 1.152 822 L CA 0.387 55.053 54.840 -0.290 0.000 0.855 822 L CB 0.388 42.295 42.059 -0.252 0.000 1.129 822 L HN 0.777 nan 8.230 nan 0.000 0.463 823 L N 3.066 124.142 121.223 -0.246 0.000 2.467 823 L HA 0.330 4.684 4.340 0.024 0.000 0.213 823 L C 0.390 177.191 176.870 -0.114 0.000 1.053 823 L CA 0.035 54.799 54.840 -0.127 0.000 0.847 823 L CB 0.022 42.038 42.059 -0.071 0.000 1.075 823 L HN 0.723 nan 8.230 nan 0.000 0.479 824 Q N -0.290 119.413 119.800 -0.161 0.000 2.426 824 Q HA 0.315 4.669 4.340 0.024 0.000 0.278 824 Q C -2.064 173.883 176.000 -0.090 0.000 1.007 824 Q CA -0.549 55.201 55.803 -0.089 0.000 0.850 824 Q CB 3.103 31.814 28.738 -0.046 0.000 1.427 824 Q HN 0.071 nan 8.270 nan 0.000 0.391 825 C N 3.365 122.661 119.300 -0.007 0.000 2.781 825 C HA 0.735 5.210 4.460 0.024 0.000 0.348 825 C C -0.634 174.478 174.990 0.203 0.000 1.051 825 C CA 0.438 59.503 59.018 0.079 0.000 1.347 825 C CB 0.252 28.043 27.740 0.085 0.000 1.846 825 C HN 0.821 nan 8.230 nan 0.000 0.473 826 T N 2.210 116.803 114.554 0.064 0.000 2.907 826 T HA 0.929 5.293 4.350 0.024 0.000 0.290 826 T C -0.423 174.023 174.700 -0.423 0.000 1.066 826 T CA -0.358 61.714 62.100 -0.046 0.000 1.012 826 T CB 1.980 70.812 68.868 -0.060 0.000 1.184 826 T HN 1.611 nan 8.240 nan 0.000 0.522 827 A N 0.894 123.273 122.820 -0.735 0.000 2.422 827 A HA 0.750 5.084 4.320 0.024 0.000 0.302 827 A C -1.383 175.926 177.584 -0.459 0.000 1.041 827 A CA -0.741 50.804 52.037 -0.821 0.000 0.708 827 A CB 1.403 19.524 19.000 -1.466 0.000 1.257 827 A HN 0.861 nan 8.150 nan 0.000 0.414 828 D N 0.955 121.155 120.400 -0.332 0.000 2.645 828 D HA 0.580 5.234 4.640 0.024 0.000 0.228 828 D C -0.685 175.502 176.300 -0.187 0.000 1.148 828 D CA 0.044 53.916 54.000 -0.214 0.000 0.860 828 D CB 2.413 43.120 40.800 -0.155 0.000 1.548 828 D HN 0.655 nan 8.370 nan 0.000 0.460 829 T N -0.613 113.856 114.554 -0.142 0.000 2.859 829 T HA 0.748 5.112 4.350 0.024 0.000 0.281 829 T C 0.243 174.890 174.700 -0.087 0.000 1.005 829 T CA -0.659 61.369 62.100 -0.120 0.000 1.025 829 T CB 1.167 69.971 68.868 -0.106 0.000 0.977 829 T HN 0.212 nan 8.240 nan 0.000 0.458 830 L N 1.385 122.562 121.223 -0.076 0.000 2.260 830 L HA 0.687 5.041 4.340 0.024 0.000 0.265 830 L C 2.082 178.928 176.870 -0.040 0.000 1.015 830 L CA -1.532 53.275 54.840 -0.055 0.000 0.826 830 L CB 0.585 42.613 42.059 -0.053 0.000 1.373 830 L HN 0.782 nan 8.230 nan 0.000 0.450 831 A N 0.583 123.386 122.820 -0.028 0.000 1.927 831 A HA -0.211 4.123 4.320 0.024 0.000 0.220 831 A C 1.054 178.629 177.584 -0.014 0.000 1.185 831 A CA 2.423 54.450 52.037 -0.017 0.000 0.639 831 A CB -0.594 18.399 19.000 -0.012 0.000 0.820 831 A HN 0.910 nan 8.150 nan 0.000 0.451 832 D N -2.967 117.421 120.400 -0.019 0.000 2.620 832 D HA 0.568 5.222 4.640 0.024 0.000 0.260 832 D C -0.080 176.203 176.300 -0.028 0.000 1.367 832 D CA 0.626 54.617 54.000 -0.015 0.000 0.805 832 D CB -0.356 40.437 40.800 -0.012 0.000 1.096 832 D HN 0.568 nan 8.370 nan 0.000 0.488 833 A N -0.602 122.192 122.820 -0.044 0.000 2.586 833 A HA 0.646 4.980 4.320 0.024 0.000 0.290 833 A C -1.734 175.794 177.584 -0.092 0.000 1.086 833 A CA -0.699 51.298 52.037 -0.068 0.000 0.665 833 A CB 1.531 20.491 19.000 -0.066 0.000 1.279 833 A HN 0.015 nan 8.150 nan 0.000 0.423 834 V N 0.611 120.449 119.914 -0.127 0.000 2.555 834 V HA 0.636 4.770 4.120 0.024 0.000 0.302 834 V C -1.000 174.985 176.094 -0.182 0.000 1.038 834 V CA -0.484 61.719 62.300 -0.161 0.000 0.887 834 V CB 1.458 33.176 31.823 -0.176 0.000 0.991 834 V HN 0.852 nan 8.190 nan 0.000 0.434 835 L N 6.223 127.329 121.223 -0.195 0.000 2.325 835 L HA 0.627 4.981 4.340 0.024 0.000 0.281 835 L C -0.752 175.961 176.870 -0.261 0.000 1.004 835 L CA 0.002 54.733 54.840 -0.183 0.000 0.823 835 L CB 1.201 43.178 42.059 -0.136 0.000 1.236 835 L HN 0.403 nan 8.230 nan 0.000 0.415 836 I N 4.177 124.575 120.570 -0.285 0.000 2.359 836 I HA 0.413 4.597 4.170 0.024 0.000 0.294 836 I C 0.038 176.090 176.117 -0.108 0.000 0.987 836 I CA -0.206 60.872 61.300 -0.370 0.000 1.225 836 I CB 1.498 39.017 38.000 -0.803 0.000 1.366 836 I HN 0.565 nan 8.210 nan 0.000 0.466 837 T N 4.823 119.326 114.554 -0.086 0.000 2.807 837 T HA 0.639 5.004 4.350 0.024 0.000 0.279 837 T C 0.141 174.872 174.700 0.051 0.000 0.993 837 T CA -0.549 61.554 62.100 0.005 0.000 0.970 837 T CB 1.813 70.662 68.868 -0.031 0.000 0.950 837 T HN 0.774 nan 8.240 nan 0.000 0.441 838 T N -0.568 114.058 114.554 0.119 0.000 2.896 838 T HA 0.873 5.237 4.350 0.024 0.000 0.297 838 T C -1.149 173.596 174.700 0.075 0.000 1.108 838 T CA -1.060 61.096 62.100 0.093 0.000 1.004 838 T CB 2.006 71.012 68.868 0.229 0.000 1.159 838 T HN 0.786 nan 8.240 nan 0.000 0.499 839 A N 1.484 124.267 122.820 -0.062 0.000 2.455 839 A HA 0.794 5.128 4.320 0.024 0.000 0.300 839 A C -1.445 176.021 177.584 -0.197 0.000 1.040 839 A CA -0.769 51.271 52.037 0.004 0.000 0.697 839 A CB 0.970 19.978 19.000 0.014 0.000 1.265 839 A HN 1.008 nan 8.150 nan 0.000 0.407 840 H N -0.169 118.957 119.070 0.093 0.000 2.895 840 H HA 0.787 5.357 4.556 0.024 0.000 0.373 840 H C -0.086 175.279 175.328 0.061 0.000 1.174 840 H CA 0.305 56.336 56.048 -0.030 0.000 1.144 840 H CB 2.150 31.811 29.762 -0.168 0.000 1.793 840 H HN 1.017 nan 8.280 nan 0.000 0.551 841 A N 1.565 124.410 122.820 0.042 0.000 2.374 841 A HA 0.502 4.836 4.320 0.024 0.000 0.317 841 A C -1.419 176.165 177.584 -0.000 0.000 1.094 841 A CA -0.703 51.428 52.037 0.157 0.000 0.765 841 A CB 1.319 20.375 19.000 0.095 0.000 1.268 841 A HN 0.582 nan 8.150 nan 0.000 0.438 842 W N 1.671 123.076 121.300 0.176 0.000 2.417 842 W HA 0.448 5.122 4.660 0.024 0.000 0.315 842 W C -0.522 176.011 176.519 0.023 0.000 1.045 842 W CA -0.144 57.297 57.345 0.160 0.000 1.221 842 W CB 1.814 31.419 29.460 0.242 0.000 1.309 842 W HN 0.777 nan 8.180 nan 0.000 0.453 843 Q N 1.897 121.838 119.800 0.235 0.000 2.451 843 Q HA 0.458 4.812 4.340 0.024 0.000 0.281 843 Q C -1.008 175.131 176.000 0.232 0.000 1.099 843 Q CA -0.900 54.998 55.803 0.158 0.000 0.806 843 Q CB 3.756 32.547 28.738 0.088 0.000 1.419 843 Q HN 0.403 nan 8.270 nan 0.000 0.427 844 H N 1.420 120.526 119.070 0.060 0.000 3.042 844 H HA 0.055 4.625 4.556 0.024 0.000 0.345 844 H C -0.845 174.514 175.328 0.052 0.000 1.052 844 H CA -0.222 55.869 56.048 0.072 0.000 1.311 844 H CB 1.277 31.095 29.762 0.093 0.000 1.810 844 H HN 0.618 nan 8.280 nan 0.000 0.505 845 Q N 2.795 122.310 119.800 -0.476 0.000 2.416 845 Q HA -0.182 4.172 4.340 0.024 0.000 0.319 845 Q C 1.107 177.045 176.000 -0.103 0.000 1.318 845 Q CA 1.503 57.129 55.803 -0.296 0.000 0.915 845 Q CB -1.938 26.624 28.738 -0.294 0.000 1.184 845 Q HN 1.158 nan 8.270 nan 0.000 0.444 846 G N -0.969 107.794 108.800 -0.061 0.000 2.168 846 G HA2 -0.398 3.576 3.960 0.024 0.000 0.263 846 G HA3 -0.398 3.576 3.960 0.024 0.000 0.263 846 G C 0.127 175.032 174.900 0.007 0.000 0.977 846 G CA 0.842 45.932 45.100 -0.016 0.000 0.659 846 G HN 0.502 nan 8.290 nan 0.000 0.533 847 K N 0.797 121.211 120.400 0.023 0.000 2.159 847 K HA 0.592 4.927 4.320 0.024 0.000 0.266 847 K C -0.000 176.617 176.600 0.028 0.000 0.975 847 K CA -0.316 55.989 56.287 0.030 0.000 0.865 847 K CB 0.834 33.359 32.500 0.041 0.000 1.087 847 K HN -0.009 nan 8.250 nan 0.000 0.446 848 T N 5.552 120.113 114.554 0.013 0.000 2.729 848 T HA 0.184 4.549 4.350 0.024 0.000 0.296 848 T C 1.164 175.812 174.700 -0.088 0.000 0.928 848 T CA -0.387 61.716 62.100 0.005 0.000 1.045 848 T CB 0.450 69.338 68.868 0.033 0.000 0.902 848 T HN 0.538 nan 8.240 nan 0.000 0.500 849 L N 2.276 123.357 121.223 -0.236 0.000 2.145 849 L HA 0.338 4.692 4.340 0.024 0.000 0.201 849 L C -0.037 176.328 176.870 -0.841 0.000 1.075 849 L CA 0.887 55.317 54.840 -0.683 0.000 0.773 849 L CB 0.022 41.294 42.059 -1.312 0.000 0.936 849 L HN 0.528 nan 8.230 nan 0.000 0.451 850 F N -1.073 118.835 119.950 -0.071 0.000 2.599 850 F HA 0.573 5.114 4.527 0.023 0.000 0.311 850 F C -0.484 175.420 175.800 0.173 0.000 1.076 850 F CA -0.805 57.084 58.000 -0.185 0.000 0.937 850 F CB 2.019 40.462 39.000 -0.928 0.000 1.282 850 F HN -0.315 nan 8.300 nan 0.000 0.460 851 I N 1.540 122.326 120.570 0.360 0.000 2.466 851 I HA 0.374 4.558 4.170 0.024 0.000 0.289 851 I C -0.813 175.561 176.117 0.429 0.000 1.026 851 I CA -0.537 61.003 61.300 0.400 0.000 1.078 851 I CB 2.198 40.345 38.000 0.245 0.000 1.249 851 I HN 0.564 nan 8.210 nan 0.000 0.429 852 S N 6.937 122.988 115.700 0.585 0.000 2.498 852 S HA 0.575 5.059 4.470 0.024 0.000 0.317 852 S C -0.688 174.149 174.600 0.395 0.000 1.090 852 S CA -0.678 57.833 58.200 0.519 0.000 1.089 852 S CB 0.715 64.345 63.200 0.718 0.000 0.997 852 S HN 0.562 nan 8.310 nan 0.000 0.470 853 R N 3.467 124.121 120.500 0.257 0.000 2.387 853 R HA 0.567 4.922 4.340 0.024 0.000 0.314 853 R C -0.729 175.637 176.300 0.109 0.000 0.958 853 R CA -0.738 55.467 56.100 0.176 0.000 0.846 853 R CB 1.767 32.144 30.300 0.129 0.000 1.147 853 R HN 0.569 nan 8.270 nan 0.000 0.447 854 K N 0.855 121.309 120.400 0.089 0.000 2.482 854 K HA 0.447 4.781 4.320 0.024 0.000 0.257 854 K C -0.795 175.770 176.600 -0.057 0.000 0.969 854 K CA -0.928 55.333 56.287 -0.044 0.000 0.842 854 K CB 2.565 34.997 32.500 -0.114 0.000 1.359 854 K HN 0.618 nan 8.250 nan 0.000 0.441 855 T N -1.429 113.018 114.554 -0.178 0.000 2.876 855 T HA 0.560 4.924 4.350 0.024 0.000 0.289 855 T C -1.223 173.332 174.700 -0.241 0.000 1.014 855 T CA -0.722 61.312 62.100 -0.109 0.000 0.986 855 T CB 0.530 69.367 68.868 -0.051 0.000 1.021 855 T HN 0.413 nan 8.240 nan 0.000 0.458 856 Y N 0.928 121.183 120.300 -0.075 0.000 2.326 856 Y HA 0.594 5.159 4.550 0.024 0.000 0.331 856 Y C 0.454 176.272 175.900 -0.136 0.000 0.962 856 Y CA -1.039 57.027 58.100 -0.056 0.000 1.167 856 Y CB 1.898 40.324 38.460 -0.057 0.000 1.148 856 Y HN 0.649 nan 8.280 nan 0.000 0.463 857 R N 4.762 125.277 120.500 0.025 0.000 2.360 857 R HA 0.626 4.980 4.340 0.024 0.000 0.318 857 R C -1.594 174.649 176.300 -0.095 0.000 0.950 857 R CA -0.410 55.660 56.100 -0.050 0.000 0.837 857 R CB 0.573 30.854 30.300 -0.033 0.000 1.165 857 R HN 0.777 nan 8.270 nan 0.000 0.458 858 I N 5.163 125.618 120.570 -0.191 0.000 2.339 858 I HA 0.195 4.379 4.170 0.024 0.000 0.290 858 I C -0.181 175.815 176.117 -0.202 0.000 0.994 858 I CA -0.754 60.357 61.300 -0.315 0.000 1.191 858 I CB 1.457 39.066 38.000 -0.650 0.000 1.343 858 I HN 0.677 nan 8.210 nan 0.000 0.458 859 D N 4.430 124.752 120.400 -0.130 0.000 2.494 859 D HA 0.236 4.890 4.640 0.024 0.000 0.259 859 D C 1.233 177.517 176.300 -0.027 0.000 1.109 859 D CA -0.775 53.186 54.000 -0.064 0.000 1.040 859 D CB 1.037 41.817 40.800 -0.034 0.000 1.175 859 D HN 0.490 nan 8.370 nan 0.000 0.584 860 G N -1.075 107.721 108.800 -0.007 0.000 2.501 860 G HA2 -0.207 3.767 3.960 0.024 0.000 0.220 860 G HA3 -0.207 3.767 3.960 0.024 0.000 0.220 860 G C 1.191 176.106 174.900 0.026 0.000 1.114 860 G CA 1.151 46.262 45.100 0.019 0.000 0.757 860 G HN 0.570 nan 8.290 nan 0.000 0.559 861 S N -0.925 114.783 115.700 0.014 0.000 2.593 861 S HA 0.363 4.847 4.470 0.024 0.000 0.217 861 S C 1.931 176.579 174.600 0.081 0.000 0.966 861 S CA 0.913 59.127 58.200 0.023 0.000 0.914 861 S CB -0.039 63.167 63.200 0.009 0.000 0.776 861 S HN 1.450 nan 8.310 nan 0.000 0.523 862 G N 0.363 109.230 108.800 0.112 0.000 2.205 862 G HA2 -0.277 3.697 3.960 0.024 0.000 0.261 862 G HA3 -0.277 3.697 3.960 0.024 0.000 0.261 862 G C -0.083 174.955 174.900 0.230 0.000 0.980 862 G CA 0.282 45.529 45.100 0.244 0.000 0.632 862 G HN 0.614 nan 8.290 nan 0.000 0.533 863 Q N -0.245 119.624 119.800 0.116 0.000 2.293 863 Q HA 0.632 4.986 4.340 0.024 0.000 0.251 863 Q C 0.275 176.306 176.000 0.051 0.000 0.930 863 Q CA -0.117 55.759 55.803 0.122 0.000 0.893 863 Q CB 1.086 29.879 28.738 0.091 0.000 1.215 863 Q HN 0.461 nan 8.270 nan 0.000 0.425 864 M N 2.256 121.929 119.600 0.120 0.000 2.078 864 M HA 0.513 5.007 4.480 0.024 0.000 0.320 864 M C -1.466 174.933 176.300 0.165 0.000 0.969 864 M CA -0.504 54.832 55.300 0.061 0.000 0.929 864 M CB 1.045 33.699 32.600 0.088 0.000 1.504 864 M HN 0.661 nan 8.290 nan 0.000 0.419 865 A N 6.836 129.715 122.820 0.098 0.000 2.289 865 A HA 0.684 5.019 4.320 0.024 0.000 0.298 865 A C -0.766 176.858 177.584 0.066 0.000 1.208 865 A CA -0.590 51.506 52.037 0.099 0.000 0.845 865 A CB 0.176 19.212 19.000 0.060 0.000 1.125 865 A HN 0.919 nan 8.150 nan 0.000 0.517 866 I N 2.580 123.180 120.570 0.050 0.000 2.362 866 I HA 0.297 4.481 4.170 0.024 0.000 0.289 866 I C -0.158 175.861 176.117 -0.163 0.000 0.994 866 I CA -0.204 61.030 61.300 -0.110 0.000 1.158 866 I CB 2.034 40.005 38.000 -0.049 0.000 1.315 866 I HN 0.506 nan 8.210 nan 0.000 0.451 867 T N 5.793 120.213 114.554 -0.224 0.000 2.794 867 T HA 0.536 4.900 4.350 0.024 0.000 0.280 867 T C -0.240 174.264 174.700 -0.326 0.000 0.987 867 T CA -0.468 61.502 62.100 -0.216 0.000 0.993 867 T CB 1.935 70.770 68.868 -0.055 0.000 0.939 867 T HN 0.206 nan 8.240 nan 0.000 0.449 868 V N 3.685 123.285 119.914 -0.523 0.000 2.487 868 V HA 0.453 4.587 4.120 0.024 0.000 0.298 868 V C -0.690 175.250 176.094 -0.257 0.000 1.028 868 V CA -0.888 61.120 62.300 -0.488 0.000 0.860 868 V CB 1.930 33.164 31.823 -0.982 0.000 0.991 868 V HN 0.856 nan 8.190 nan 0.000 0.427 869 D N 3.502 123.904 120.400 0.003 0.000 2.481 869 D HA 0.523 5.177 4.640 0.024 0.000 0.246 869 D C -0.984 175.433 176.300 0.196 0.000 1.109 869 D CA -0.099 53.994 54.000 0.155 0.000 0.845 869 D CB 2.762 43.672 40.800 0.184 0.000 1.160 869 D HN 0.252 nan 8.370 nan 0.000 0.534 870 V N 2.419 122.486 119.914 0.255 0.000 2.628 870 V HA 0.295 4.429 4.120 0.024 0.000 0.306 870 V C 0.037 176.270 176.094 0.231 0.000 1.045 870 V CA -0.675 61.789 62.300 0.274 0.000 0.905 870 V CB 2.457 34.484 31.823 0.339 0.000 0.997 870 V HN 0.368 nan 8.190 nan 0.000 0.436 871 E N 2.423 122.745 120.200 0.203 0.000 2.183 871 E HA 0.646 5.010 4.350 0.024 0.000 0.271 871 E C -1.548 175.159 176.600 0.178 0.000 0.919 871 E CA -0.601 55.898 56.400 0.166 0.000 0.781 871 E CB 2.547 32.328 29.700 0.135 0.000 1.140 871 E HN 0.393 nan 8.360 nan 0.000 0.402 872 V N 2.064 122.087 119.914 0.182 0.000 2.483 872 V HA 0.382 4.516 4.120 0.024 0.000 0.297 872 V C 0.052 176.237 176.094 0.153 0.000 1.027 872 V CA -0.945 61.487 62.300 0.219 0.000 0.855 872 V CB 1.494 33.481 31.823 0.274 0.000 0.995 872 V HN 0.844 nan 8.190 nan 0.000 0.424 873 A N 3.441 126.310 122.820 0.081 0.000 2.540 873 A HA 0.300 4.634 4.320 0.024 0.000 0.239 873 A C 1.619 179.274 177.584 0.119 0.000 1.061 873 A CA 0.610 52.687 52.037 0.068 0.000 0.758 873 A CB 0.269 19.276 19.000 0.012 0.000 0.991 873 A HN 1.376 nan 8.150 nan 0.000 0.502 874 S N 0.984 116.748 115.700 0.106 0.000 2.419 874 S HA -0.155 4.329 4.470 0.024 0.000 0.233 874 S C 0.882 175.563 174.600 0.136 0.000 1.016 874 S CA 1.335 59.618 58.200 0.139 0.000 0.974 874 S CB -0.309 62.952 63.200 0.102 0.000 0.786 874 S HN 0.821 nan 8.310 nan 0.000 0.492 875 D N 0.408 120.862 120.400 0.090 0.000 2.339 875 D HA 0.127 4.781 4.640 0.024 0.000 0.217 875 D C 0.577 176.915 176.300 0.064 0.000 1.050 875 D CA 0.074 54.111 54.000 0.061 0.000 0.856 875 D CB -0.475 40.348 40.800 0.038 0.000 0.922 875 D HN 0.325 nan 8.370 nan 0.000 0.518 876 T N 1.616 116.235 114.554 0.110 0.000 2.922 876 T HA 0.361 4.725 4.350 0.024 0.000 0.285 876 T C -2.568 172.245 174.700 0.188 0.000 1.005 876 T CA -1.915 60.278 62.100 0.154 0.000 1.061 876 T CB 1.150 70.130 68.868 0.188 0.000 1.007 876 T HN -0.137 nan 8.240 nan 0.000 0.502 877 P HA 0.062 nan 4.420 nan 0.000 0.265 877 P C -0.611 177.000 177.300 0.518 0.000 1.187 877 P CA 0.135 63.333 63.100 0.163 0.000 0.766 877 P CB -0.036 31.727 31.700 0.105 0.000 0.820 878 H N 3.544 122.982 119.070 0.612 0.000 3.001 878 H HA 0.095 4.665 4.556 0.023 0.000 0.334 878 H C -1.568 174.117 175.328 0.594 0.000 1.034 878 H CA -1.359 54.994 56.048 0.509 0.000 1.420 878 H CB -0.394 29.606 29.762 0.397 0.000 1.405 878 H HN 0.390 nan 8.280 nan 0.000 0.593 879 P HA 0.031 nan 4.420 nan 0.000 0.276 879 P C 0.093 177.287 177.300 -0.176 0.000 1.244 879 P CA -0.339 62.829 63.100 0.114 0.000 0.801 879 P CB 1.145 32.731 31.700 -0.190 0.000 1.006 880 A N 2.899 125.331 122.820 -0.646 0.000 1.969 880 A HA -0.095 4.239 4.320 0.024 0.000 0.218 880 A C 1.043 178.221 177.584 -0.676 0.000 1.169 880 A CA 1.331 52.940 52.037 -0.714 0.000 0.635 880 A CB -0.542 17.810 19.000 -1.080 0.000 0.810 880 A HN 0.750 nan 8.150 nan 0.000 0.445 881 R N -2.918 117.227 120.500 -0.592 0.000 2.728 881 R HA 0.725 5.079 4.340 0.024 0.000 0.274 881 R C -1.703 174.356 176.300 -0.401 0.000 1.030 881 R CA -0.826 54.953 56.100 -0.536 0.000 0.876 881 R CB 0.779 30.717 30.300 -0.604 0.000 1.259 881 R HN -0.004 nan 8.270 nan 0.000 0.468 882 I N 1.064 121.436 120.570 -0.329 0.000 2.517 882 I HA 0.625 4.809 4.170 0.024 0.000 0.280 882 I C -0.467 175.433 176.117 -0.363 0.000 1.061 882 I CA -0.383 60.759 61.300 -0.264 0.000 1.091 882 I CB 1.848 39.765 38.000 -0.137 0.000 1.205 882 I HN 0.958 nan 8.210 nan 0.000 0.459 883 G N 5.747 114.271 108.800 -0.460 0.000 2.706 883 G HA2 0.778 4.752 3.960 0.024 0.000 0.307 883 G HA3 0.778 4.752 3.960 0.024 0.000 0.307 883 G C -1.665 173.066 174.900 -0.281 0.000 1.307 883 G CA -0.580 44.286 45.100 -0.390 0.000 0.790 883 G HN 0.262 nan 8.290 nan 0.000 0.503 884 L N 0.730 121.838 121.223 -0.192 0.000 2.333 884 L HA 0.660 5.014 4.340 0.024 0.000 0.263 884 L C -0.690 176.077 176.870 -0.171 0.000 1.014 884 L CA -1.142 53.615 54.840 -0.138 0.000 0.820 884 L CB 2.482 44.538 42.059 -0.004 0.000 1.352 884 L HN 0.792 nan 8.230 nan 0.000 0.421 885 N N 0.549 119.175 118.700 -0.123 0.000 2.494 885 N HA 0.690 5.444 4.740 0.024 0.000 0.270 885 N C -1.291 174.217 175.510 -0.003 0.000 1.285 885 N CA -0.549 52.457 53.050 -0.073 0.000 0.812 885 N CB 2.316 40.774 38.487 -0.049 0.000 1.557 885 N HN 0.852 nan 8.380 nan 0.000 0.487 886 C N -1.161 118.156 119.300 0.029 0.000 3.312 886 C HA 0.609 5.084 4.460 0.024 0.000 0.332 886 C C -1.229 173.623 174.990 -0.230 0.000 1.340 886 C CA -0.820 58.178 59.018 -0.035 0.000 1.265 886 C CB 1.026 28.764 27.740 -0.003 0.000 1.563 886 C HN 0.856 nan 8.230 nan 0.000 0.471 887 Q N 1.403 120.842 119.800 -0.602 0.000 2.368 887 Q HA 0.641 4.995 4.340 0.024 0.000 0.263 887 Q C -1.100 174.608 176.000 -0.487 0.000 1.009 887 Q CA -0.436 54.752 55.803 -1.026 0.000 0.818 887 Q CB 0.925 28.654 28.738 -1.682 0.000 1.239 887 Q HN 0.782 nan 8.270 nan 0.000 0.464 888 L N 2.716 123.751 121.223 -0.312 0.000 2.397 888 L HA 0.225 4.580 4.340 0.024 0.000 0.271 888 L C 1.229 178.031 176.870 -0.113 0.000 1.148 888 L CA -0.135 54.644 54.840 -0.102 0.000 0.825 888 L CB 0.862 42.962 42.059 0.068 0.000 1.117 888 L HN 0.840 nan 8.230 nan 0.000 0.456 889 A N 2.449 125.230 122.820 -0.066 0.000 1.969 889 A HA -0.078 4.256 4.320 0.024 0.000 0.218 889 A C 0.963 178.531 177.584 -0.027 0.000 1.169 889 A CA 0.952 52.945 52.037 -0.074 0.000 0.635 889 A CB -0.180 18.770 19.000 -0.083 0.000 0.810 889 A HN 0.787 nan 8.150 nan 0.000 0.445 890 Q N -0.148 119.672 119.800 0.033 0.000 2.240 890 Q HA 0.581 4.936 4.340 0.024 0.000 0.260 890 Q C -1.601 174.442 176.000 0.073 0.000 1.018 890 Q CA -0.471 55.349 55.803 0.028 0.000 0.898 890 Q CB 1.605 30.351 28.738 0.013 0.000 1.301 890 Q HN 0.105 nan 8.270 nan 0.000 0.469 891 V N 0.672 120.600 119.914 0.024 0.000 2.555 891 V HA 0.799 4.933 4.120 0.024 0.000 0.302 891 V C -0.472 175.576 176.094 -0.076 0.000 1.038 891 V CA -0.499 61.839 62.300 0.064 0.000 0.887 891 V CB 1.248 33.098 31.823 0.045 0.000 0.991 891 V HN 0.932 nan 8.190 nan 0.000 0.434 892 A N 2.431 125.138 122.820 -0.189 0.000 2.384 892 A HA 0.710 5.044 4.320 0.024 0.000 0.312 892 A C 0.632 178.197 177.584 -0.032 0.000 1.113 892 A CA -0.473 51.386 52.037 -0.297 0.000 0.779 892 A CB 1.343 19.887 19.000 -0.760 0.000 1.307 892 A HN 0.790 nan 8.150 nan 0.000 0.436 893 E N 0.259 120.444 120.200 -0.025 0.000 2.072 893 E HA -0.039 4.325 4.350 0.024 0.000 0.190 893 E C 0.116 176.780 176.600 0.107 0.000 0.982 893 E CA 0.843 57.269 56.400 0.043 0.000 0.803 893 E CB 0.113 29.824 29.700 0.018 0.000 0.755 893 E HN 0.468 nan 8.360 nan 0.000 0.453 894 R N 0.152 120.722 120.500 0.117 0.000 2.892 894 R HA 0.557 4.911 4.340 0.024 0.000 0.265 894 R C -0.483 175.997 176.300 0.299 0.000 1.025 894 R CA -0.866 55.343 56.100 0.182 0.000 0.982 894 R CB 1.749 32.127 30.300 0.131 0.000 1.185 894 R HN -0.178 nan 8.270 nan 0.000 0.484 895 V N 1.737 121.844 119.914 0.321 0.000 2.531 895 V HA 0.380 4.514 4.120 0.024 0.000 0.301 895 V C -0.285 176.081 176.094 0.454 0.000 1.034 895 V CA -0.911 61.620 62.300 0.384 0.000 0.865 895 V CB 1.915 33.911 31.823 0.289 0.000 0.995 895 V HN 0.658 nan 8.190 nan 0.000 0.424 896 N N 4.366 123.310 118.700 0.407 0.000 2.296 896 N HA 0.536 5.290 4.740 0.024 0.000 0.294 896 N C -1.438 174.328 175.510 0.427 0.000 1.033 896 N CA -0.439 52.824 53.050 0.354 0.000 0.839 896 N CB 2.681 41.268 38.487 0.167 0.000 1.395 896 N HN 0.814 nan 8.380 nan 0.000 0.479 897 W N 2.967 124.303 121.300 0.060 0.000 3.118 897 W HA 0.589 5.263 4.660 0.023 0.000 0.328 897 W C -1.967 174.519 176.519 -0.054 0.000 1.239 897 W CA -1.125 56.229 57.345 0.015 0.000 1.176 897 W CB 0.770 30.260 29.460 0.049 0.000 1.433 897 W HN 0.223 nan 8.180 nan 0.000 0.562 898 L N 3.847 125.042 121.223 -0.046 0.000 2.301 898 L HA 0.907 5.261 4.340 0.024 0.000 0.278 898 L C -0.041 176.666 176.870 -0.272 0.000 1.022 898 L CA 0.275 54.899 54.840 -0.360 0.000 0.854 898 L CB 0.579 42.519 42.059 -0.199 0.000 1.226 898 L HN 0.970 nan 8.230 nan 0.000 0.429 899 G N 3.669 112.166 108.800 -0.505 0.000 2.348 899 G HA2 0.244 4.218 3.960 0.024 0.000 0.296 899 G HA3 0.244 4.218 3.960 0.024 0.000 0.296 899 G C -1.666 173.296 174.900 0.103 0.000 1.258 899 G CA -1.032 44.069 45.100 0.002 0.000 0.868 899 G HN 0.416 nan 8.290 nan 0.000 0.488 900 L N 0.825 122.243 121.223 0.325 0.000 2.397 900 L HA 0.648 5.002 4.340 0.024 0.000 0.271 900 L C 1.066 178.061 176.870 0.207 0.000 1.148 900 L CA 0.657 55.641 54.840 0.239 0.000 0.825 900 L CB 0.803 42.945 42.059 0.137 0.000 1.117 900 L HN 1.190 nan 8.230 nan 0.000 0.456 901 G N 2.359 111.051 108.800 -0.180 0.000 2.348 901 G HA2 0.216 4.190 3.960 0.024 0.000 0.296 901 G HA3 0.216 4.190 3.960 0.024 0.000 0.296 901 G C -2.758 171.299 174.900 -1.406 0.000 1.258 901 G CA -0.241 44.427 45.100 -0.720 0.000 0.868 901 G HN 0.322 nan 8.290 nan 0.000 0.488 902 P HA 0.087 nan 4.420 nan 0.000 0.230 902 P C 0.463 177.571 177.300 -0.320 0.000 1.168 902 P CA 0.615 63.055 63.100 -1.101 0.000 0.793 902 P CB 0.483 31.659 31.700 -0.873 0.000 0.851 903 Q N 0.537 120.140 119.800 -0.328 0.000 2.318 903 Q HA 0.141 4.495 4.340 0.024 0.000 0.222 903 Q C 0.390 176.282 176.000 -0.180 0.000 1.003 903 Q CA -0.581 55.110 55.803 -0.187 0.000 0.936 903 Q CB 0.685 29.330 28.738 -0.155 0.000 1.204 903 Q HN 0.137 nan 8.270 nan 0.000 0.524 904 E N 1.303 121.404 120.200 -0.165 0.000 2.568 904 E HA -0.123 4.241 4.350 0.024 0.000 0.262 904 E C -1.101 175.409 176.600 -0.150 0.000 0.961 904 E CA 0.316 56.602 56.400 -0.190 0.000 0.945 904 E CB 0.262 29.924 29.700 -0.064 0.000 0.924 904 E HN 0.590 nan 8.360 nan 0.000 0.467 905 N N 2.576 121.101 118.700 -0.291 0.000 2.331 905 N HA 0.327 5.081 4.740 0.024 0.000 0.280 905 N C -1.876 173.365 175.510 -0.449 0.000 1.155 905 N CA -0.667 52.264 53.050 -0.198 0.000 0.822 905 N CB 0.726 39.128 38.487 -0.141 0.000 1.619 905 N HN 0.243 nan 8.380 nan 0.000 0.476 906 Y N -0.223 119.982 120.300 -0.158 0.000 2.633 906 Y HA 0.510 5.075 4.550 0.024 0.000 0.339 906 Y C -1.653 174.157 175.900 -0.149 0.000 1.045 906 Y CA -2.057 55.933 58.100 -0.184 0.000 1.098 906 Y CB 1.926 40.273 38.460 -0.188 0.000 1.296 906 Y HN 0.442 nan 8.280 nan 0.000 0.494 907 P HA -0.166 nan 4.420 nan 0.000 0.216 907 P C 0.420 177.532 177.300 -0.313 0.000 1.153 907 P CA 2.068 65.161 63.100 -0.011 0.000 0.858 907 P CB 0.193 32.001 31.700 0.180 0.000 0.789 908 D N -2.075 117.934 120.400 -0.652 0.000 2.328 908 D HA -0.011 4.643 4.640 0.024 0.000 0.221 908 D C 0.711 176.859 176.300 -0.253 0.000 1.072 908 D CA 0.115 53.572 54.000 -0.905 0.000 0.850 908 D CB -0.277 39.785 40.800 -1.230 0.000 0.922 908 D HN 0.127 nan 8.370 nan 0.000 0.516 909 R N 0.964 121.411 120.500 -0.088 0.000 2.734 909 R HA 0.185 4.539 4.340 0.024 0.000 0.242 909 R C -0.639 175.689 176.300 0.047 0.000 1.617 909 R CA -0.161 55.955 56.100 0.027 0.000 1.572 909 R CB 0.028 30.350 30.300 0.037 0.000 1.477 909 R HN 0.108 nan 8.270 nan 0.000 0.707 910 L N -1.773 119.484 121.223 0.057 0.000 3.386 910 L HA 0.345 4.699 4.340 0.024 0.000 0.307 910 L C 1.361 178.288 176.870 0.096 0.000 1.235 910 L CA 0.154 55.026 54.840 0.054 0.000 1.056 910 L CB 0.202 42.279 42.059 0.030 0.000 1.453 910 L HN 0.097 nan 8.230 nan 0.000 0.615 911 T N -2.534 112.107 114.554 0.144 0.000 2.867 911 T HA 0.001 4.365 4.350 0.024 0.000 0.268 911 T C 1.791 176.549 174.700 0.097 0.000 1.057 911 T CA 1.324 63.536 62.100 0.187 0.000 1.136 911 T CB -0.317 68.716 68.868 0.276 0.000 0.874 911 T HN 0.386 nan 8.240 nan 0.000 0.466 912 A N 1.656 124.537 122.820 0.101 0.000 2.066 912 A HA 0.634 4.968 4.320 0.024 0.000 0.218 912 A C 1.655 179.335 177.584 0.161 0.000 1.157 912 A CA 0.571 52.633 52.037 0.042 0.000 0.670 912 A CB -0.978 18.183 19.000 0.268 0.000 0.804 912 A HN 0.850 nan 8.150 nan 0.000 0.453 913 A N -1.177 121.678 122.820 0.059 0.000 2.386 913 A HA 0.445 4.779 4.320 0.024 0.000 0.248 913 A C 0.029 177.638 177.584 0.043 0.000 1.082 913 A CA -0.013 52.014 52.037 -0.018 0.000 0.789 913 A CB -0.100 18.877 19.000 -0.038 0.000 1.025 913 A HN 0.488 nan 8.150 nan 0.000 0.490 914 C N 0.349 119.668 119.300 0.032 0.000 2.561 914 C HA 0.549 5.023 4.460 0.024 0.000 0.319 914 C C -0.188 174.913 174.990 0.186 0.000 1.198 914 C CA -0.480 58.616 59.018 0.130 0.000 1.665 914 C CB 0.905 28.741 27.740 0.159 0.000 2.258 914 C HN 0.784 nan 8.230 nan 0.000 0.493 915 F N 3.743 123.542 119.950 -0.252 0.000 2.444 915 F HA 0.477 5.018 4.527 0.023 0.000 0.360 915 F C 0.368 175.848 175.800 -0.532 0.000 1.106 915 F CA 1.143 58.834 58.000 -0.515 0.000 1.170 915 F CB -0.056 38.081 39.000 -1.438 0.000 1.113 915 F HN 0.620 nan 8.300 nan 0.000 0.521 916 D N 3.536 123.274 120.400 -1.105 0.000 2.865 916 D HA 0.187 4.841 4.640 0.024 0.000 0.343 916 D C -1.610 173.800 176.300 -1.483 0.000 1.372 916 D CA -0.746 52.516 54.000 -1.230 0.000 0.862 916 D CB 1.591 41.594 40.800 -1.327 0.000 1.425 916 D HN 0.536 nan 8.370 nan 0.000 0.501 917 R N 0.719 120.433 120.500 -1.310 0.000 2.229 917 R HA 0.527 4.881 4.340 0.024 0.000 0.332 917 R C -1.320 174.240 176.300 -1.232 0.000 0.989 917 R CA -0.401 55.077 56.100 -1.037 0.000 0.842 917 R CB 0.460 30.407 30.300 -0.589 0.000 1.119 917 R HN 0.272 nan 8.270 nan 0.000 0.456 918 W N 2.707 123.480 121.300 -0.879 0.000 2.706 918 W HA 0.400 5.074 4.660 0.024 0.000 0.346 918 W C -0.508 175.639 176.519 -0.619 0.000 1.071 918 W CA -0.631 56.143 57.345 -0.951 0.000 1.206 918 W CB 1.730 30.127 29.460 -1.772 0.000 1.413 918 W HN 0.396 nan 8.180 nan 0.000 0.542 919 D N 2.708 123.081 120.400 -0.044 0.000 2.763 919 D HA 0.448 5.102 4.640 0.024 0.000 0.235 919 D C -1.592 174.820 176.300 0.185 0.000 1.334 919 D CA -0.163 53.901 54.000 0.108 0.000 0.950 919 D CB 1.017 41.831 40.800 0.024 0.000 1.433 919 D HN 0.399 nan 8.370 nan 0.000 0.580 920 L N 3.165 124.571 121.223 0.305 0.000 2.350 920 L HA 0.566 4.920 4.340 0.024 0.000 0.260 920 L C -2.263 174.730 176.870 0.205 0.000 1.015 920 L CA -2.205 52.778 54.840 0.237 0.000 0.821 920 L CB 2.763 44.997 42.059 0.292 0.000 1.370 920 L HN 0.193 nan 8.230 nan 0.000 0.416 921 P HA -0.009 nan 4.420 nan 0.000 0.269 921 P C 0.562 177.942 177.300 0.132 0.000 1.209 921 P CA -0.283 62.889 63.100 0.121 0.000 0.776 921 P CB 0.889 32.639 31.700 0.084 0.000 0.876 922 L N 3.721 125.028 121.223 0.140 0.000 2.043 922 L HA -0.259 4.096 4.340 0.024 0.000 0.212 922 L C 2.305 179.224 176.870 0.081 0.000 1.075 922 L CA 2.738 57.651 54.840 0.122 0.000 0.752 922 L CB -1.528 40.616 42.059 0.142 0.000 0.891 922 L HN 0.463 nan 8.230 nan 0.000 0.432 923 S N -1.873 113.875 115.700 0.080 0.000 2.419 923 S HA -0.167 4.318 4.470 0.024 0.000 0.233 923 S C 1.597 176.270 174.600 0.122 0.000 1.016 923 S CA 1.044 59.307 58.200 0.106 0.000 0.974 923 S CB -0.775 62.486 63.200 0.101 0.000 0.786 923 S HN 0.508 nan 8.310 nan 0.000 0.492 924 D N 1.365 121.812 120.400 0.079 0.000 2.350 924 D HA 0.045 4.699 4.640 0.024 0.000 0.216 924 D C 1.308 177.617 176.300 0.015 0.000 0.968 924 D CA 0.699 54.724 54.000 0.043 0.000 0.894 924 D CB -0.195 40.637 40.800 0.053 0.000 0.909 924 D HN 0.384 nan 8.370 nan 0.000 0.520 925 M N -0.521 119.098 119.600 0.031 0.000 2.561 925 M HA 0.044 4.538 4.480 0.024 0.000 0.238 925 M C -0.003 176.306 176.300 0.016 0.000 1.131 925 M CA 0.032 55.309 55.300 -0.040 0.000 1.046 925 M CB -0.763 31.802 32.600 -0.058 0.000 1.532 925 M HN -0.037 nan 8.290 nan 0.000 0.497 926 Y N 0.047 120.315 120.300 -0.053 0.000 2.376 926 Y HA 0.492 5.057 4.550 0.024 0.000 0.340 926 Y C -0.806 175.072 175.900 -0.036 0.000 0.965 926 Y CA -1.040 57.056 58.100 -0.006 0.000 1.078 926 Y CB 1.276 39.788 38.460 0.086 0.000 1.193 926 Y HN -0.136 nan 8.280 nan 0.000 0.452 927 T N 9.077 123.225 114.554 -0.676 0.000 2.756 927 T HA 0.290 4.655 4.350 0.024 0.000 0.290 927 T C -2.681 171.356 174.700 -1.105 0.000 0.985 927 T CA -1.505 60.136 62.100 -0.765 0.000 0.955 927 T CB 1.113 69.610 68.868 -0.618 0.000 0.930 927 T HN 0.464 nan 8.240 nan 0.000 0.451 928 P HA 0.132 nan 4.420 nan 0.000 0.226 928 P C -0.670 176.604 177.300 -0.042 0.000 1.783 928 P CA -0.426 62.326 63.100 -0.581 0.000 0.980 928 P CB -0.671 30.814 31.700 -0.359 0.000 1.967 929 Y N -0.247 120.116 120.300 0.104 0.000 2.610 929 Y HA -0.091 4.473 4.550 0.024 0.000 0.332 929 Y C 2.283 178.317 175.900 0.223 0.000 1.201 929 Y CA -0.501 57.741 58.100 0.237 0.000 1.465 929 Y CB 0.606 39.091 38.460 0.041 0.000 1.283 929 Y HN -0.083 nan 8.280 nan 0.000 0.563 930 V N 3.345 123.554 119.914 0.491 0.000 2.332 930 V HA -0.310 3.824 4.120 0.024 0.000 0.248 930 V C 0.556 176.849 176.094 0.332 0.000 1.055 930 V CA 1.427 63.964 62.300 0.395 0.000 1.038 930 V CB -0.547 31.535 31.823 0.431 0.000 0.651 930 V HN 0.579 nan 8.190 nan 0.000 0.450 931 F N 3.236 123.251 119.950 0.110 0.000 2.375 931 F HA 0.496 5.037 4.527 0.024 0.000 0.362 931 F C -2.436 173.379 175.800 0.025 0.000 1.129 931 F CA -3.540 54.456 58.000 -0.006 0.000 1.154 931 F CB 0.566 39.440 39.000 -0.210 0.000 1.205 931 F HN 0.010 nan 8.300 nan 0.000 0.513 932 P HA 0.277 nan 4.420 nan 0.000 0.271 932 P C -1.004 175.995 177.300 -0.500 0.000 1.218 932 P CA 0.055 62.943 63.100 -0.355 0.000 0.780 932 P CB 1.256 32.767 31.700 -0.315 0.000 0.901 933 S N -0.210 115.384 115.700 -0.176 0.000 2.724 933 S HA 0.440 4.925 4.470 0.024 0.000 0.278 933 S C -0.812 173.779 174.600 -0.015 0.000 1.190 933 S CA -0.946 57.182 58.200 -0.119 0.000 0.860 933 S CB 0.288 63.445 63.200 -0.073 0.000 1.206 933 S HN 0.334 nan 8.310 nan 0.000 0.507 934 E N 1.279 121.480 120.200 0.002 0.000 2.529 934 E HA 0.339 4.703 4.350 0.024 0.000 0.259 934 E C -0.218 176.437 176.600 0.091 0.000 0.966 934 E CA 0.824 57.255 56.400 0.051 0.000 0.937 934 E CB -0.280 29.471 29.700 0.084 0.000 0.923 934 E HN 0.780 nan 8.360 nan 0.000 0.468 935 N N 1.636 120.430 118.700 0.157 0.000 2.927 935 N HA 0.498 5.252 4.740 0.024 0.000 0.248 935 N C 0.148 175.729 175.510 0.120 0.000 1.443 935 N CA -0.503 52.685 53.050 0.231 0.000 0.870 935 N CB 1.019 39.657 38.487 0.252 0.000 1.444 935 N HN 0.722 nan 8.380 nan 0.000 0.519 936 G N -1.248 107.588 108.800 0.059 0.000 2.162 936 G HA2 -0.259 3.715 3.960 0.024 0.000 0.260 936 G HA3 -0.259 3.715 3.960 0.024 0.000 0.260 936 G C -0.247 174.396 174.900 -0.429 0.000 0.976 936 G CA 0.412 45.416 45.100 -0.160 0.000 0.655 936 G HN 0.706 nan 8.290 nan 0.000 0.533 937 L N -0.024 120.864 121.223 -0.559 0.000 2.483 937 L HA 0.696 5.050 4.340 0.024 0.000 0.275 937 L C 0.676 176.962 176.870 -0.974 0.000 1.220 937 L CA 0.299 54.574 54.840 -0.942 0.000 0.833 937 L CB 0.559 41.757 42.059 -1.435 0.000 1.102 937 L HN 0.250 nan 8.230 nan 0.000 0.490 938 R N 2.166 122.009 120.500 -1.094 0.000 2.561 938 R HA 0.521 4.875 4.340 0.024 0.000 0.297 938 R C -0.991 174.974 176.300 -0.559 0.000 0.969 938 R CA -0.274 55.336 56.100 -0.816 0.000 0.879 938 R CB 1.480 31.204 30.300 -0.961 0.000 1.178 938 R HN 0.682 nan 8.270 nan 0.000 0.445 939 C N 0.117 119.236 119.300 -0.302 0.000 2.547 939 C HA 0.741 5.215 4.460 0.024 0.000 0.411 939 C C 1.281 176.261 174.990 -0.016 0.000 1.424 939 C CA 0.102 59.017 59.018 -0.171 0.000 1.848 939 C CB 1.404 29.064 27.740 -0.133 0.000 2.062 939 C HN 1.021 nan 8.230 nan 0.000 0.504 940 G N 1.534 110.335 108.800 0.001 0.000 2.283 940 G HA2 -0.189 3.785 3.960 0.024 0.000 0.280 940 G HA3 -0.189 3.785 3.960 0.024 0.000 0.280 940 G C -0.042 174.935 174.900 0.128 0.000 1.029 940 G CA 0.625 45.777 45.100 0.086 0.000 0.840 940 G HN 0.787 nan 8.290 nan 0.000 0.505 941 T N 0.067 114.572 114.554 -0.082 0.000 2.767 941 T HA 0.524 4.888 4.350 0.024 0.000 0.288 941 T C 1.294 175.685 174.700 -0.514 0.000 0.963 941 T CA -0.587 61.404 62.100 -0.181 0.000 1.019 941 T CB 1.386 70.191 68.868 -0.106 0.000 0.923 941 T HN 0.184 nan 8.240 nan 0.000 0.468 942 R N 1.536 121.968 120.500 -0.113 0.000 2.282 942 R HA 0.293 4.647 4.340 0.024 0.000 0.195 942 R C 0.526 176.857 176.300 0.051 0.000 0.909 942 R CA 0.210 56.292 56.100 -0.031 0.000 1.039 942 R CB 0.335 30.749 30.300 0.191 0.000 1.015 942 R HN 0.703 nan 8.270 nan 0.000 0.513 943 E N 0.416 120.659 120.200 0.072 0.000 2.335 943 E HA 0.329 4.693 4.350 0.024 0.000 0.280 943 E C -1.850 174.900 176.600 0.250 0.000 0.918 943 E CA -0.664 55.865 56.400 0.214 0.000 0.765 943 E CB 1.504 31.293 29.700 0.149 0.000 1.218 943 E HN -0.084 nan 8.360 nan 0.000 0.425 944 L N 4.017 125.456 121.223 0.359 0.000 2.410 944 L HA 0.600 4.954 4.340 0.024 0.000 0.270 944 L C -1.841 175.227 176.870 0.330 0.000 0.983 944 L CA -0.397 54.591 54.840 0.246 0.000 0.822 944 L CB 1.792 43.847 42.059 -0.006 0.000 1.285 944 L HN 0.464 nan 8.230 nan 0.000 0.409 945 N N 4.398 123.260 118.700 0.269 0.000 2.314 945 N HA 0.421 5.176 4.740 0.024 0.000 0.294 945 N C -1.963 173.764 175.510 0.362 0.000 1.029 945 N CA -0.261 52.937 53.050 0.246 0.000 0.845 945 N CB 2.167 40.743 38.487 0.148 0.000 1.321 945 N HN 0.612 nan 8.380 nan 0.000 0.481 946 Y N 1.052 121.477 120.300 0.207 0.000 2.323 946 Y HA 0.399 4.963 4.550 0.024 0.000 0.322 946 Y C 0.624 176.616 175.900 0.152 0.000 1.133 946 Y CA 0.105 58.334 58.100 0.215 0.000 1.093 946 Y CB 0.660 39.320 38.460 0.333 0.000 1.203 946 Y HN 0.849 nan 8.280 nan 0.000 0.427 947 G N 6.497 115.106 108.800 -0.318 0.000 2.596 947 G HA2 -0.295 3.679 3.960 0.024 0.000 0.295 947 G HA3 -0.295 3.679 3.960 0.024 0.000 0.295 947 G C -1.868 172.901 174.900 -0.219 0.000 1.240 947 G CA 0.141 45.057 45.100 -0.307 0.000 0.985 947 G HN 0.605 nan 8.290 nan 0.000 0.555 948 P HA 0.188 nan 4.420 nan 0.000 0.257 948 P C 0.071 177.139 177.300 -0.387 0.000 1.281 948 P CA 0.462 63.363 63.100 -0.333 0.000 0.826 948 P CB 0.045 31.515 31.700 -0.384 0.000 1.237 949 H N 0.509 119.512 119.070 -0.112 0.000 2.472 949 H HA 0.454 5.024 4.556 0.024 0.000 0.335 949 H C -0.056 174.961 175.328 -0.519 0.000 1.136 949 H CA -0.005 55.850 56.048 -0.323 0.000 1.264 949 H CB 1.713 31.099 29.762 -0.627 0.000 1.486 949 H HN 0.101 nan 8.280 nan 0.000 0.517 950 Q N 2.573 122.081 119.800 -0.487 0.000 2.305 950 Q HA 0.241 4.595 4.340 0.024 0.000 0.271 950 Q C -1.609 174.109 176.000 -0.470 0.000 1.046 950 Q CA -0.732 54.883 55.803 -0.314 0.000 0.798 950 Q CB 2.110 30.816 28.738 -0.053 0.000 1.286 950 Q HN 0.578 nan 8.270 nan 0.000 0.435 951 W N 3.922 125.193 121.300 -0.048 0.000 2.656 951 W HA 0.557 5.232 4.660 0.024 0.000 0.327 951 W C -0.259 176.358 176.519 0.164 0.000 1.041 951 W CA -0.709 56.578 57.345 -0.097 0.000 1.229 951 W CB 1.980 31.176 29.460 -0.440 0.000 1.397 951 W HN 0.531 nan 8.180 nan 0.000 0.479 952 R N 0.938 121.685 120.500 0.411 0.000 2.670 952 R HA 0.793 5.147 4.340 0.024 0.000 0.289 952 R C 0.223 176.808 176.300 0.476 0.000 0.965 952 R CA -0.468 55.888 56.100 0.427 0.000 0.899 952 R CB 2.372 32.827 30.300 0.259 0.000 1.173 952 R HN 0.741 nan 8.270 nan 0.000 0.456 953 G N 0.707 109.781 108.800 0.457 0.000 2.566 953 G HA2 0.024 3.998 3.960 0.024 0.000 0.138 953 G HA3 0.024 3.998 3.960 0.024 0.000 0.138 953 G C -1.776 173.264 174.900 0.233 0.000 1.133 953 G CA -0.327 45.016 45.100 0.403 0.000 1.037 953 G HN 0.492 nan 8.290 nan 0.000 0.491 954 D N -0.042 120.493 120.400 0.224 0.000 2.411 954 D HA 0.573 5.227 4.640 0.024 0.000 0.239 954 D C -0.715 175.596 176.300 0.019 0.000 1.307 954 D CA -0.507 53.506 54.000 0.022 0.000 0.930 954 D CB 0.147 40.991 40.800 0.074 0.000 1.395 954 D HN 0.541 nan 8.370 nan 0.000 0.536 955 F N -0.228 119.722 119.950 0.000 0.000 2.706 955 F HA 0.748 5.290 4.527 0.024 0.000 0.328 955 F C -1.022 174.740 175.800 -0.062 0.000 1.123 955 F CA -1.003 56.934 58.000 -0.106 0.000 0.978 955 F CB 0.787 39.724 39.000 -0.104 0.000 1.404 955 F HN -0.147 nan 8.300 nan 0.000 0.497 956 Q N 1.499 121.392 119.800 0.156 0.000 2.345 956 Q HA 0.630 4.984 4.340 0.024 0.000 0.268 956 Q C -1.300 174.780 176.000 0.134 0.000 1.054 956 Q CA -0.518 55.286 55.803 0.001 0.000 0.835 956 Q CB 2.739 31.368 28.738 -0.181 0.000 1.339 956 Q HN 0.862 nan 8.270 nan 0.000 0.447 957 F N -1.051 118.798 119.950 -0.168 0.000 2.662 957 F HA 0.770 5.312 4.527 0.024 0.000 0.312 957 F C -1.401 174.190 175.800 -0.348 0.000 1.113 957 F CA -1.090 56.765 58.000 -0.241 0.000 0.951 957 F CB 1.637 40.511 39.000 -0.209 0.000 1.344 957 F HN 0.568 nan 8.300 nan 0.000 0.462 958 N N 1.271 119.810 118.700 -0.269 0.000 2.416 958 N HA 0.730 5.484 4.740 0.024 0.000 0.276 958 N C -2.119 173.335 175.510 -0.094 0.000 1.261 958 N CA -0.757 52.097 53.050 -0.326 0.000 0.790 958 N CB 2.613 40.925 38.487 -0.292 0.000 1.554 958 N HN 1.122 nan 8.380 nan 0.000 0.481 959 I N 0.251 120.759 120.570 -0.104 0.000 2.680 959 I HA 0.691 4.875 4.170 0.024 0.000 0.291 959 I C -1.437 174.601 176.117 -0.133 0.000 1.244 959 I CA 0.034 61.240 61.300 -0.156 0.000 1.042 959 I CB 1.407 39.250 38.000 -0.262 0.000 1.277 959 I HN 1.070 nan 8.210 nan 0.000 0.423 960 S N 6.049 121.678 115.700 -0.119 0.000 2.656 960 S HA 0.482 4.966 4.470 0.024 0.000 0.265 960 S C -0.261 174.228 174.600 -0.186 0.000 1.132 960 S CA -1.010 57.103 58.200 -0.145 0.000 0.819 960 S CB 1.522 64.678 63.200 -0.073 0.000 1.119 960 S HN 0.628 nan 8.310 nan 0.000 0.476 961 R N -0.134 120.080 120.500 -0.477 0.000 2.335 961 R HA 0.242 4.596 4.340 0.024 0.000 0.223 961 R C -0.814 175.205 176.300 -0.468 0.000 0.940 961 R CA 0.333 56.152 56.100 -0.469 0.000 1.086 961 R CB -1.001 28.941 30.300 -0.596 0.000 1.073 961 R HN 0.662 nan 8.270 nan 0.000 0.504 962 Y N 0.257 120.534 120.300 -0.039 0.000 2.376 962 Y HA 0.194 4.759 4.550 0.024 0.000 0.340 962 Y C 0.731 176.427 175.900 -0.341 0.000 0.965 962 Y CA -1.167 56.828 58.100 -0.175 0.000 1.078 962 Y CB 1.491 39.790 38.460 -0.269 0.000 1.193 962 Y HN -0.088 nan 8.280 nan 0.000 0.452 963 S N 1.586 116.942 115.700 -0.574 0.000 2.593 963 S HA 0.029 4.514 4.470 0.024 0.000 0.269 963 S C 0.868 175.120 174.600 -0.579 0.000 1.334 963 S CA -0.727 56.750 58.200 -1.205 0.000 1.015 963 S CB 1.129 63.530 63.200 -1.332 0.000 0.912 963 S HN 0.735 nan 8.310 nan 0.000 0.541 964 Q N 0.675 120.152 119.800 -0.538 0.000 2.170 964 Q HA -0.188 4.167 4.340 0.024 0.000 0.203 964 Q C 2.210 178.066 176.000 -0.240 0.000 0.976 964 Q CA 1.700 57.333 55.803 -0.282 0.000 0.858 964 Q CB -0.514 28.090 28.738 -0.224 0.000 0.907 964 Q HN 0.964 nan 8.270 nan 0.000 0.433 965 Q N 0.711 120.329 119.800 -0.305 0.000 2.061 965 Q HA -0.234 4.121 4.340 0.024 0.000 0.204 965 Q C 2.125 178.015 176.000 -0.183 0.000 0.984 965 Q CA 1.623 57.307 55.803 -0.199 0.000 0.846 965 Q CB -0.011 28.617 28.738 -0.184 0.000 0.902 965 Q HN 0.413 nan 8.270 nan 0.000 0.421 966 Q N 0.035 119.698 119.800 -0.228 0.000 2.061 966 Q HA -0.187 4.168 4.340 0.024 0.000 0.204 966 Q C 2.259 178.129 176.000 -0.217 0.000 0.984 966 Q CA 1.562 57.241 55.803 -0.207 0.000 0.846 966 Q CB -0.120 28.466 28.738 -0.253 0.000 0.902 966 Q HN 0.488 nan 8.270 nan 0.000 0.421 967 L N 0.462 121.551 121.223 -0.223 0.000 2.042 967 L HA -0.228 4.126 4.340 0.024 0.000 0.210 967 L C 2.715 179.449 176.870 -0.227 0.000 1.076 967 L CA 1.577 56.281 54.840 -0.227 0.000 0.749 967 L CB -0.531 41.429 42.059 -0.164 0.000 0.893 967 L HN 0.476 nan 8.230 nan 0.000 0.432 968 M N -1.649 117.848 119.600 -0.172 0.000 2.394 968 M HA -0.098 4.396 4.480 0.024 0.000 0.264 968 M C 1.464 177.686 176.300 -0.131 0.000 1.073 968 M CA 1.644 56.857 55.300 -0.144 0.000 1.111 968 M CB -0.389 32.142 32.600 -0.116 0.000 1.401 968 M HN 0.096 nan 8.290 nan 0.000 0.448 969 E N 0.959 121.083 120.200 -0.127 0.000 2.474 969 E HA 0.094 4.459 4.350 0.024 0.000 0.194 969 E C -0.379 176.167 176.600 -0.089 0.000 1.041 969 E CA 0.196 56.544 56.400 -0.087 0.000 0.874 969 E CB 0.484 30.142 29.700 -0.071 0.000 0.914 969 E HN 0.437 nan 8.360 nan 0.000 0.498 970 T N -0.041 114.423 114.554 -0.150 0.000 2.779 970 T HA 0.132 4.496 4.350 0.024 0.000 0.280 970 T C 0.821 175.411 174.700 -0.183 0.000 0.987 970 T CA -0.552 61.459 62.100 -0.149 0.000 0.966 970 T CB 1.686 70.433 68.868 -0.202 0.000 0.933 970 T HN -0.009 nan 8.240 nan 0.000 0.442 971 S N 1.430 117.122 115.700 -0.013 0.000 2.524 971 S HA 0.173 4.657 4.470 0.024 0.000 0.215 971 S C 0.102 174.775 174.600 0.122 0.000 0.986 971 S CA -0.066 58.197 58.200 0.106 0.000 0.911 971 S CB -0.176 63.245 63.200 0.370 0.000 0.805 971 S HN 0.728 nan 8.310 nan 0.000 0.501 972 H N 0.992 120.079 119.070 0.028 0.000 2.759 972 H HA 0.472 5.043 4.556 0.024 0.000 0.354 972 H C 0.941 176.250 175.328 -0.032 0.000 1.074 972 H CA -0.792 55.321 56.048 0.108 0.000 1.226 972 H CB 1.564 31.356 29.762 0.051 0.000 1.648 972 H HN 0.143 nan 8.280 nan 0.000 0.529 973 R N 2.175 122.790 120.500 0.192 0.000 2.127 973 R HA -0.186 4.168 4.340 0.024 0.000 0.238 973 R C 1.209 177.529 176.300 0.033 0.000 1.134 973 R CA 1.935 58.083 56.100 0.080 0.000 0.975 973 R CB -0.435 29.965 30.300 0.167 0.000 0.865 973 R HN 0.766 nan 8.270 nan 0.000 0.447 974 H N 0.801 119.876 119.070 0.008 0.000 2.545 974 H HA 0.031 4.601 4.556 0.024 0.000 0.282 974 H C 1.437 176.682 175.328 -0.138 0.000 1.020 974 H CA 0.766 56.775 56.048 -0.064 0.000 1.243 974 H CB -0.084 29.622 29.762 -0.093 0.000 1.377 974 H HN 0.320 nan 8.280 nan 0.000 0.581 975 L N 0.977 121.836 121.223 -0.606 0.000 2.607 975 L HA 0.225 4.579 4.340 0.024 0.000 0.228 975 L C 0.582 177.316 176.870 -0.227 0.000 1.123 975 L CA -0.177 54.373 54.840 -0.484 0.000 0.890 975 L CB 0.210 41.922 42.059 -0.578 0.000 1.103 975 L HN 0.061 nan 8.230 nan 0.000 0.468 976 L N 1.037 122.116 121.223 -0.240 0.000 2.426 976 L HA 0.106 4.460 4.340 0.024 0.000 0.271 976 L C 0.180 177.004 176.870 -0.078 0.000 1.169 976 L CA 0.017 54.676 54.840 -0.301 0.000 0.836 976 L CB 0.302 41.953 42.059 -0.680 0.000 1.112 976 L HN 0.206 nan 8.230 nan 0.000 0.465 977 H N 1.730 120.799 119.070 -0.002 0.000 2.600 977 H HA 0.578 5.148 4.556 0.024 0.000 0.357 977 H C -0.756 174.707 175.328 0.225 0.000 1.106 977 H CA -1.251 54.855 56.048 0.097 0.000 1.193 977 H CB 1.367 31.145 29.762 0.026 0.000 1.594 977 H HN 0.668 nan 8.280 nan 0.000 0.526 978 A N 3.666 126.626 122.820 0.233 0.000 2.524 978 A HA 0.083 4.417 4.320 0.024 0.000 0.250 978 A C 0.385 178.036 177.584 0.111 0.000 1.078 978 A CA -0.152 51.891 52.037 0.010 0.000 0.761 978 A CB -0.130 18.840 19.000 -0.050 0.000 1.012 978 A HN 0.835 nan 8.150 nan 0.000 0.500 979 E N 1.257 121.498 120.200 0.069 0.000 2.322 979 E HA 0.202 4.566 4.350 0.024 0.000 0.257 979 E C -0.053 176.593 176.600 0.077 0.000 1.155 979 E CA -0.665 55.834 56.400 0.164 0.000 0.936 979 E CB 0.737 30.607 29.700 0.283 0.000 1.130 979 E HN 0.790 nan 8.360 nan 0.000 0.465 980 E N -0.047 120.191 120.200 0.063 0.000 2.383 980 E HA 0.244 4.608 4.350 0.024 0.000 0.264 980 E C 0.314 176.869 176.600 -0.076 0.000 1.050 980 E CA 0.548 56.945 56.400 -0.006 0.000 0.896 980 E CB 0.624 30.316 29.700 -0.015 0.000 0.982 980 E HN 0.669 nan 8.360 nan 0.000 0.424 981 G N 2.254 111.010 108.800 -0.073 0.000 2.598 981 G HA2 -0.228 3.746 3.960 0.024 0.000 0.244 981 G HA3 -0.228 3.746 3.960 0.024 0.000 0.244 981 G C -0.636 174.199 174.900 -0.107 0.000 1.302 981 G CA -0.131 44.906 45.100 -0.105 0.000 0.903 981 G HN 0.596 nan 8.290 nan 0.000 0.575 982 T N 0.111 114.572 114.554 -0.154 0.000 2.928 982 T HA 0.499 4.863 4.350 0.024 0.000 0.296 982 T C -0.865 173.688 174.700 -0.246 0.000 1.000 982 T CA -0.181 61.841 62.100 -0.129 0.000 0.989 982 T CB 1.384 70.260 68.868 0.012 0.000 1.005 982 T HN 0.575 nan 8.240 nan 0.000 0.442 983 W N 3.178 124.384 121.300 -0.156 0.000 2.316 983 W HA 0.618 5.292 4.660 0.024 0.000 0.311 983 W C -0.299 176.086 176.519 -0.224 0.000 1.217 983 W CA -0.697 56.553 57.345 -0.159 0.000 1.199 983 W CB 0.838 30.217 29.460 -0.135 0.000 1.202 983 W HN 0.383 nan 8.180 nan 0.000 0.528 984 L N 5.647 126.860 121.223 -0.017 0.000 2.356 984 L HA 0.513 4.867 4.340 0.024 0.000 0.277 984 L C -1.053 175.710 176.870 -0.178 0.000 0.996 984 L CA -0.512 54.196 54.840 -0.221 0.000 0.822 984 L CB 0.880 42.653 42.059 -0.477 0.000 1.256 984 L HN 0.317 nan 8.230 nan 0.000 0.413 985 N N 6.289 124.877 118.700 -0.186 0.000 2.407 985 N HA 0.457 5.211 4.740 0.024 0.000 0.277 985 N C -1.277 174.087 175.510 -0.244 0.000 0.995 985 N CA -0.218 52.721 53.050 -0.185 0.000 0.903 985 N CB 2.649 41.057 38.487 -0.132 0.000 1.218 985 N HN 0.704 nan 8.380 nan 0.000 0.487 986 I N 1.558 121.940 120.570 -0.314 0.000 2.410 986 I HA 0.299 4.483 4.170 0.024 0.000 0.286 986 I C -1.216 174.708 176.117 -0.321 0.000 1.009 986 I CA -0.597 60.480 61.300 -0.372 0.000 1.111 986 I CB 0.874 38.450 38.000 -0.707 0.000 1.262 986 I HN 0.221 nan 8.210 nan 0.000 0.443 987 D N 5.286 125.534 120.400 -0.253 0.000 2.192 987 D HA 0.309 4.963 4.640 0.024 0.000 0.246 987 D C 0.844 176.824 176.300 -0.533 0.000 1.042 987 D CA -0.265 53.520 54.000 -0.360 0.000 0.847 987 D CB 2.276 42.969 40.800 -0.178 0.000 1.186 987 D HN 0.737 nan 8.370 nan 0.000 0.461 988 G N 1.137 109.279 108.800 -1.096 0.000 2.403 988 G HA2 -0.019 3.955 3.960 0.024 0.000 0.216 988 G HA3 -0.019 3.955 3.960 0.024 0.000 0.216 988 G C 0.109 174.228 174.900 -1.301 0.000 1.154 988 G CA 0.554 44.873 45.100 -1.301 0.000 0.784 988 G HN 0.387 nan 8.290 nan 0.000 0.538 989 F N -2.238 117.519 119.950 -0.321 0.000 2.619 989 F HA 0.588 5.129 4.527 0.023 0.000 0.308 989 F C -0.565 175.142 175.800 -0.155 0.000 1.097 989 F CA -1.116 56.776 58.000 -0.179 0.000 0.953 989 F CB 2.223 41.030 39.000 -0.321 0.000 1.287 989 F HN 0.036 nan 8.300 nan 0.000 0.446 990 H N 1.855 120.927 119.070 0.003 0.000 2.865 990 H HA 0.521 5.091 4.556 0.023 0.000 0.362 990 H C -0.923 174.423 175.328 0.031 0.000 1.114 990 H CA -0.866 55.159 56.048 -0.039 0.000 1.208 990 H CB 1.882 31.608 29.762 -0.060 0.000 1.727 990 H HN 0.763 nan 8.280 nan 0.000 0.534 991 M N 3.275 122.832 119.600 -0.072 0.000 2.240 991 M HA 0.304 4.798 4.480 0.024 0.000 0.333 991 M C 0.472 176.879 176.300 0.178 0.000 1.110 991 M CA 0.292 55.612 55.300 0.034 0.000 1.173 991 M CB 0.396 32.916 32.600 -0.134 0.000 1.458 991 M HN 0.831 nan 8.290 nan 0.000 0.458 992 G N 2.648 111.524 108.800 0.127 0.000 2.699 992 G HA2 0.285 4.259 3.960 0.024 0.000 0.246 992 G HA3 0.285 4.259 3.960 0.024 0.000 0.246 992 G C 0.590 175.461 174.900 -0.048 0.000 1.219 992 G CA -0.400 44.702 45.100 0.003 0.000 0.866 992 G HN 0.972 nan 8.290 nan 0.000 0.572 993 I N -1.603 118.893 120.570 -0.123 0.000 3.645 993 I HA 0.404 4.588 4.170 0.024 0.000 0.300 993 I C 1.210 177.252 176.117 -0.126 0.000 1.260 993 I CA 0.431 61.621 61.300 -0.184 0.000 1.365 993 I CB -0.578 37.214 38.000 -0.347 0.000 1.077 993 I HN 0.922 nan 8.210 nan 0.000 0.439 994 G N 1.663 110.416 108.800 -0.079 0.000 2.645 994 G HA2 0.011 3.985 3.960 0.024 0.000 0.246 994 G HA3 0.011 3.985 3.960 0.024 0.000 0.246 994 G C 0.568 175.458 174.900 -0.016 0.000 1.322 994 G CA 0.172 45.264 45.100 -0.013 0.000 0.898 994 G HN 1.386 nan 8.290 nan 0.000 0.573 995 G N -2.409 106.396 108.800 0.008 0.000 2.559 995 G HA2 0.028 4.002 3.960 0.024 0.000 0.202 995 G HA3 0.028 4.002 3.960 0.024 0.000 0.202 995 G C 0.622 175.570 174.900 0.080 0.000 0.992 995 G CA 0.941 46.052 45.100 0.018 0.000 0.764 995 G HN 0.937 nan 8.290 nan 0.000 0.525 996 D N 1.235 121.704 120.400 0.116 0.000 2.190 996 D HA 0.082 4.736 4.640 0.024 0.000 0.200 996 D C 1.055 177.388 176.300 0.055 0.000 0.992 996 D CA 2.109 56.241 54.000 0.220 0.000 0.854 996 D CB 0.154 41.089 40.800 0.226 0.000 0.936 996 D HN 0.801 nan 8.370 nan 0.000 0.462 997 D N -3.272 116.954 120.400 -0.290 0.000 2.626 997 D HA 0.353 5.007 4.640 0.024 0.000 0.278 997 D C -0.839 174.956 176.300 -0.841 0.000 1.211 997 D CA -0.754 52.656 54.000 -0.983 0.000 0.903 997 D CB 0.965 40.568 40.800 -1.995 0.000 1.408 997 D HN -0.312 nan 8.370 nan 0.000 0.454 998 S N -0.526 114.498 115.700 -1.127 0.000 2.661 998 S HA 0.262 4.747 4.470 0.024 0.000 0.245 998 S C -0.686 173.904 174.600 -0.017 0.000 1.117 998 S CA -0.680 57.331 58.200 -0.315 0.000 1.091 998 S CB -0.536 62.692 63.200 0.047 0.000 0.887 998 S HN 0.630 nan 8.310 nan 0.000 0.491 999 W N 0.404 121.629 121.300 -0.124 0.000 2.121 999 W HA 0.478 5.151 4.660 0.023 0.000 0.275 999 W C 0.000 176.468 176.519 -0.085 0.000 0.903 999 W CA -0.252 57.028 57.345 -0.108 0.000 1.253 999 W CB -0.413 28.914 29.460 -0.221 0.000 1.016 999 W HN 0.202 nan 8.180 nan 0.000 0.537 1000 S N -0.105 115.469 115.700 -0.209 0.000 2.540 1000 S HA 0.645 5.129 4.470 0.024 0.000 0.275 1000 S C -2.951 171.586 174.600 -0.105 0.000 1.123 1000 S CA -1.722 56.419 58.200 -0.097 0.000 0.907 1000 S CB 1.887 65.065 63.200 -0.036 0.000 1.081 1000 S HN -0.202 nan 8.310 nan 0.000 0.476 1001 P HA 0.090 nan 4.420 nan 0.000 0.260 1001 P C 0.366 177.712 177.300 0.077 0.000 1.172 1001 P CA 0.211 63.329 63.100 0.031 0.000 0.760 1001 P CB 0.465 32.055 31.700 -0.184 0.000 0.773 1002 S N 0.556 116.340 115.700 0.140 0.000 2.900 1002 S HA 0.157 4.642 4.470 0.024 0.000 0.253 1002 S C 0.114 174.799 174.600 0.143 0.000 1.029 1002 S CA -0.371 57.883 58.200 0.090 0.000 1.096 1002 S CB -0.290 62.912 63.200 0.004 0.000 1.067 1002 S HN 0.114 nan 8.310 nan 0.000 0.610 1003 V N 2.740 122.787 119.914 0.221 0.000 2.455 1003 V HA 0.388 4.523 4.120 0.024 0.000 0.273 1003 V C 0.819 177.067 176.094 0.257 0.000 1.045 1003 V CA -0.308 62.107 62.300 0.192 0.000 0.976 1003 V CB 1.005 32.883 31.823 0.092 0.000 0.993 1003 V HN 0.519 nan 8.190 nan 0.000 0.475 1004 S N 3.942 119.803 115.700 0.269 0.000 2.568 1004 S HA 0.250 4.734 4.470 0.024 0.000 0.282 1004 S C 1.570 176.305 174.600 0.225 0.000 1.338 1004 S CA 0.103 58.450 58.200 0.245 0.000 1.045 1004 S CB 1.054 64.426 63.200 0.286 0.000 0.873 1004 S HN 1.002 nan 8.310 nan 0.000 0.516 1005 A N 3.474 126.382 122.820 0.148 0.000 1.948 1005 A HA -0.157 4.177 4.320 0.024 0.000 0.220 1005 A C 2.018 179.632 177.584 0.050 0.000 1.177 1005 A CA 1.871 53.983 52.037 0.125 0.000 0.636 1005 A CB -0.628 18.423 19.000 0.085 0.000 0.815 1005 A HN 0.955 nan 8.150 nan 0.000 0.449 1006 E N -0.931 119.230 120.200 -0.066 0.000 2.409 1006 E HA -0.114 4.250 4.350 0.024 0.000 0.198 1006 E C 0.771 177.098 176.600 -0.455 0.000 1.024 1006 E CA 0.733 56.964 56.400 -0.282 0.000 0.861 1006 E CB -0.425 29.029 29.700 -0.410 0.000 0.788 1006 E HN 0.697 nan 8.360 nan 0.000 0.521 1007 F N 1.145 121.147 119.950 0.087 0.000 2.639 1007 F HA 0.264 4.805 4.527 0.023 0.000 0.302 1007 F C 0.795 176.636 175.800 0.068 0.000 1.097 1007 F CA -0.578 57.474 58.000 0.086 0.000 1.294 1007 F CB 0.607 39.656 39.000 0.083 0.000 1.027 1007 F HN -0.192 nan 8.300 nan 0.000 0.550 1008 Q N 1.321 121.240 119.800 0.198 0.000 2.235 1008 Q HA 0.402 4.757 4.340 0.024 0.000 0.250 1008 Q C -0.221 175.824 176.000 0.074 0.000 0.909 1008 Q CA -0.522 55.376 55.803 0.157 0.000 0.910 1008 Q CB 1.912 30.834 28.738 0.305 0.000 1.223 1008 Q HN 0.269 nan 8.270 nan 0.000 0.432 1009 L N 2.358 123.610 121.223 0.049 0.000 2.399 1009 L HA 0.123 4.477 4.340 0.024 0.000 0.257 1009 L C 0.655 177.497 176.870 -0.047 0.000 1.236 1009 L CA -0.085 54.769 54.840 0.022 0.000 1.144 1009 L CB -0.379 41.579 42.059 -0.168 0.000 1.379 1009 L HN 0.691 nan 8.230 nan 0.000 0.414 1010 S N -1.103 114.470 115.700 -0.211 0.000 2.554 1010 S HA 0.152 4.636 4.470 0.024 0.000 0.226 1010 S C 1.627 176.133 174.600 -0.158 0.000 0.980 1010 S CA 0.180 58.055 58.200 -0.541 0.000 0.939 1010 S CB 0.719 63.503 63.200 -0.693 0.000 0.832 1010 S HN 0.506 nan 8.310 nan 0.000 0.486 1011 A N 1.368 124.135 122.820 -0.088 0.000 2.172 1011 A HA 0.456 4.790 4.320 0.024 0.000 0.216 1011 A C 2.080 179.504 177.584 -0.267 0.000 1.154 1011 A CA 1.162 53.021 52.037 -0.296 0.000 0.701 1011 A CB -1.269 17.358 19.000 -0.622 0.000 0.789 1011 A HN 1.463 nan 8.150 nan 0.000 0.465 1012 G N -1.180 107.570 108.800 -0.084 0.000 2.900 1012 G HA2 -0.303 3.671 3.960 0.024 0.000 0.223 1012 G HA3 -0.303 3.671 3.960 0.024 0.000 0.223 1012 G C 0.463 175.345 174.900 -0.029 0.000 1.293 1012 G CA 0.434 45.532 45.100 -0.005 0.000 0.792 1012 G HN 0.683 nan 8.290 nan 0.000 0.527 1013 R N -0.403 119.966 120.500 -0.220 0.000 2.561 1013 R HA 0.675 5.029 4.340 0.024 0.000 0.297 1013 R C -1.556 174.510 176.300 -0.391 0.000 0.969 1013 R CA -0.566 55.454 56.100 -0.134 0.000 0.879 1013 R CB 1.520 31.777 30.300 -0.071 0.000 1.178 1013 R HN 0.274 nan 8.270 nan 0.000 0.445 1014 Y N 0.467 120.751 120.300 -0.027 0.000 2.477 1014 Y HA 0.342 4.906 4.550 0.023 0.000 0.347 1014 Y C -0.353 175.676 175.900 0.216 0.000 0.981 1014 Y CA -0.833 57.211 58.100 -0.092 0.000 1.033 1014 Y CB 2.156 40.431 38.460 -0.308 0.000 1.245 1014 Y HN 0.580 nan 8.280 nan 0.000 0.455 1015 H N 2.820 122.149 119.070 0.433 0.000 2.679 1015 H HA 0.616 5.186 4.556 0.024 0.000 0.360 1015 H C -1.741 173.970 175.328 0.638 0.000 1.105 1015 H CA -0.975 55.312 56.048 0.397 0.000 1.196 1015 H CB 1.208 31.110 29.762 0.232 0.000 1.636 1015 H HN 0.577 nan 8.280 nan 0.000 0.531 1016 Y N 1.472 121.572 120.300 -0.334 0.000 2.609 1016 Y HA 0.478 5.042 4.550 0.024 0.000 0.336 1016 Y C -1.927 173.773 175.900 -0.334 0.000 1.129 1016 Y CA -1.145 56.838 58.100 -0.195 0.000 1.040 1016 Y CB 1.419 39.858 38.460 -0.035 0.000 1.310 1016 Y HN 0.764 nan 8.280 nan 0.000 0.460 1017 Q N 2.748 122.550 119.800 0.003 0.000 2.340 1017 Q HA 0.789 5.144 4.340 0.024 0.000 0.276 1017 Q C -2.247 173.842 176.000 0.147 0.000 1.048 1017 Q CA -1.069 54.721 55.803 -0.021 0.000 0.832 1017 Q CB 3.309 32.071 28.738 0.039 0.000 1.373 1017 Q HN 0.855 nan 8.270 nan 0.000 0.409 1018 L N 1.349 122.647 121.223 0.124 0.000 2.409 1018 L HA 0.711 5.065 4.340 0.024 0.000 0.262 1018 L C -1.076 175.916 176.870 0.204 0.000 0.992 1018 L CA -1.329 53.627 54.840 0.193 0.000 0.817 1018 L CB 2.717 44.870 42.059 0.156 0.000 1.350 1018 L HN 0.516 nan 8.230 nan 0.000 0.411 1019 V N 1.103 121.162 119.914 0.242 0.000 2.448 1019 V HA 0.383 4.517 4.120 0.024 0.000 0.295 1019 V C -1.131 175.143 176.094 0.301 0.000 1.025 1019 V CA -0.449 61.997 62.300 0.244 0.000 0.859 1019 V CB 2.163 34.101 31.823 0.193 0.000 0.988 1019 V HN 0.594 nan 8.190 nan 0.000 0.431 1020 W N 7.070 128.444 121.300 0.122 0.000 2.376 1020 W HA 0.679 5.353 4.660 0.024 0.000 0.312 1020 W C -0.165 176.358 176.519 0.006 0.000 1.060 1020 W CA -1.103 56.238 57.345 -0.008 0.000 1.221 1020 W CB 1.332 30.852 29.460 0.100 0.000 1.281 1020 W HN 0.859 nan 8.180 nan 0.000 0.456 1021 C N 3.718 123.237 119.300 0.365 0.000 3.307 1021 C HA 0.774 5.248 4.460 0.024 0.000 0.350 1021 C C -0.696 174.417 174.990 0.204 0.000 1.549 1021 C CA -0.799 58.382 59.018 0.272 0.000 1.396 1021 C CB 1.601 29.443 27.740 0.170 0.000 1.970 1021 C HN 0.530 nan 8.230 nan 0.000 0.441 1022 Q N 1.169 121.041 119.800 0.119 0.000 2.266 1022 Q HA 0.662 5.017 4.340 0.024 0.000 0.261 1022 Q C -0.311 175.687 176.000 -0.003 0.000 0.985 1022 Q CA -0.164 55.655 55.803 0.027 0.000 0.873 1022 Q CB 1.584 30.309 28.738 -0.022 0.000 1.306 1022 Q HN 0.809 nan 8.270 nan 0.000 0.447 1023 K N 0.000 120.369 120.400 -0.051 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.024 0.000 0.191 1023 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 1023 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543