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 1bgl_1_H DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.128 176.117 0.019 0.000 1.063 3 I CA 0.000 61.312 61.300 0.020 0.000 1.566 3 I CB 0.000 38.003 38.000 0.005 0.000 1.214 4 T N -1.958 112.607 114.554 0.019 0.000 2.833 4 T HA -0.142 4.208 4.350 0.000 0.000 0.269 4 T C 1.456 176.156 174.700 -0.001 0.000 1.054 4 T CA 1.842 63.936 62.100 -0.011 0.000 1.135 4 T CB -0.533 68.329 68.868 -0.009 0.000 0.869 4 T HN 0.338 nan 8.240 nan 0.000 0.466 5 D N 2.000 122.462 120.400 0.103 0.000 2.348 5 D HA 0.025 4.665 4.640 0.000 0.000 0.216 5 D C 1.103 177.576 176.300 0.289 0.000 0.970 5 D CA 0.476 54.636 54.000 0.266 0.000 0.889 5 D CB -0.185 40.782 40.800 0.279 0.000 0.912 5 D HN 0.628 nan 8.370 nan 0.000 0.524 6 S N -0.059 115.715 115.700 0.123 0.000 2.564 6 S HA 0.042 4.512 4.470 0.000 0.000 0.278 6 S C 1.407 176.069 174.600 0.103 0.000 1.333 6 S CA -0.688 57.558 58.200 0.078 0.000 1.048 6 S CB 1.388 64.602 63.200 0.024 0.000 0.900 6 S HN -0.051 nan 8.310 nan 0.000 0.505 7 L N 3.921 125.199 121.223 0.091 0.000 2.081 7 L HA -0.039 4.301 4.340 0.000 0.000 0.212 7 L C 2.810 179.726 176.870 0.076 0.000 1.080 7 L CA 2.394 57.306 54.840 0.120 0.000 0.754 7 L CB -1.219 40.859 42.059 0.032 0.000 0.893 7 L HN 0.985 nan 8.230 nan 0.000 0.433 8 A N -1.833 121.009 122.820 0.036 0.000 2.121 8 A HA -0.046 4.274 4.320 0.000 0.000 0.218 8 A C 2.110 179.698 177.584 0.007 0.000 1.154 8 A CA 1.507 53.560 52.037 0.027 0.000 0.679 8 A CB -0.485 18.523 19.000 0.014 0.000 0.795 8 A HN 0.253 nan 8.150 nan 0.000 0.458 9 V N -1.275 118.633 119.914 -0.010 0.000 2.398 9 V HA -0.106 4.014 4.120 0.000 0.000 0.236 9 V C 2.351 178.366 176.094 -0.132 0.000 1.054 9 V CA 1.292 63.553 62.300 -0.065 0.000 1.060 9 V CB -1.040 30.742 31.823 -0.068 0.000 0.707 9 V HN 0.219 nan 8.190 nan 0.000 0.480 10 V N 0.988 120.802 119.914 -0.166 0.000 2.636 10 V HA -0.240 3.880 4.120 0.000 0.000 0.258 10 V C 2.017 177.946 176.094 -0.275 0.000 1.092 10 V CA 1.881 63.949 62.300 -0.387 0.000 1.110 10 V CB -0.683 30.878 31.823 -0.437 0.000 0.685 10 V HN 0.462 nan 8.190 nan 0.000 0.481 11 L N -1.184 120.027 121.223 -0.020 0.000 2.590 11 L HA 0.085 4.425 4.340 0.000 0.000 0.227 11 L C 2.289 179.181 176.870 0.037 0.000 1.099 11 L CA 0.223 55.162 54.840 0.166 0.000 0.872 11 L CB -0.498 41.800 42.059 0.399 0.000 1.088 11 L HN 0.272 nan 8.230 nan 0.000 0.479 12 Q N 2.010 121.786 119.800 -0.039 0.000 2.152 12 Q HA -0.220 4.120 4.340 0.000 0.000 0.206 12 Q C 2.181 178.107 176.000 -0.124 0.000 0.985 12 Q CA 2.023 57.790 55.803 -0.061 0.000 0.863 12 Q CB -0.049 28.645 28.738 -0.073 0.000 0.904 12 Q HN 0.496 nan 8.270 nan 0.000 0.422 13 R N -0.366 120.014 120.500 -0.200 0.000 2.062 13 R HA 0.086 4.426 4.340 0.000 0.000 0.231 13 R C 0.383 176.464 176.300 -0.365 0.000 1.136 13 R CA 1.012 56.957 56.100 -0.258 0.000 0.948 13 R CB -0.273 29.859 30.300 -0.280 0.000 0.845 13 R HN 0.058 nan 8.270 nan 0.000 0.430 14 R N 0.686 120.803 120.500 -0.637 0.000 3.078 14 R HA -0.087 4.253 4.340 0.000 0.000 0.264 14 R C -0.822 174.921 176.300 -0.927 0.000 1.049 14 R CA 0.227 55.650 56.100 -1.127 0.000 0.689 14 R CB -1.346 28.585 30.300 -0.615 0.000 1.286 14 R HN 0.382 nan 8.270 nan 0.000 0.390 15 D N -0.217 119.670 120.400 -0.855 0.000 2.269 15 D HA -0.131 4.509 4.640 0.000 0.000 0.208 15 D C 1.615 177.785 176.300 -0.217 0.000 0.963 15 D CA 1.425 55.097 54.000 -0.546 0.000 0.864 15 D CB -0.111 40.172 40.800 -0.861 0.000 0.936 15 D HN 0.696 nan 8.370 nan 0.000 0.505 16 W N 1.637 123.019 121.300 0.137 0.000 3.204 16 W HA 0.208 4.868 4.660 0.000 0.000 0.249 16 W C 0.442 177.095 176.519 0.223 0.000 1.322 16 W CA -0.163 57.340 57.345 0.263 0.000 1.593 16 W CB -0.363 29.272 29.460 0.292 0.000 1.122 16 W HN -0.150 nan 8.180 nan 0.000 0.710 17 E N 0.514 120.616 120.200 -0.164 0.000 2.812 17 E HA 0.063 4.413 4.350 0.000 0.000 0.211 17 E C -0.526 176.000 176.600 -0.123 0.000 0.986 17 E CA -0.176 56.223 56.400 -0.002 0.000 1.119 17 E CB -0.139 29.618 29.700 0.095 0.000 1.046 17 E HN 0.017 nan 8.360 nan 0.000 0.474 18 N N 1.871 120.496 118.700 -0.125 0.000 2.573 18 N HA 0.174 4.914 4.740 0.000 0.000 0.262 18 N C -2.020 173.374 175.510 -0.194 0.000 1.029 18 N CA -2.258 50.678 53.050 -0.190 0.000 0.882 18 N CB 1.644 40.010 38.487 -0.202 0.000 1.204 18 N HN -0.178 nan 8.380 nan 0.000 0.519 19 P HA -0.031 nan 4.420 nan 0.000 0.218 19 P C 1.260 178.329 177.300 -0.384 0.000 1.149 19 P CA 0.870 63.635 63.100 -0.558 0.000 0.817 19 P CB 0.267 31.131 31.700 -1.393 0.000 0.785 20 G N 0.226 108.825 108.800 -0.335 0.000 2.446 20 G HA2 -0.131 3.829 3.960 0.000 0.000 0.217 20 G HA3 -0.131 3.829 3.960 0.000 0.000 0.217 20 G C 0.463 175.278 174.900 -0.143 0.000 1.168 20 G CA 0.550 45.512 45.100 -0.230 0.000 0.771 20 G HN 0.234 nan 8.290 nan 0.000 0.551 21 V N 0.740 120.582 119.914 -0.120 0.000 2.465 21 V HA 0.536 4.656 4.120 0.000 0.000 0.279 21 V C 0.924 177.057 176.094 0.065 0.000 1.045 21 V CA 0.486 62.758 62.300 -0.046 0.000 0.938 21 V CB 1.323 33.081 31.823 -0.108 0.000 0.986 21 V HN 0.385 nan 8.190 nan 0.000 0.467 22 T N 0.284 114.921 114.554 0.137 0.000 3.252 22 T HA 0.348 4.698 4.350 0.000 0.000 0.295 22 T C -0.050 174.775 174.700 0.209 0.000 0.897 22 T CA 0.356 62.569 62.100 0.188 0.000 0.905 22 T CB 0.327 69.247 68.868 0.088 0.000 1.202 22 T HN 0.866 nan 8.240 nan 0.000 0.592 23 Q N 0.536 120.497 119.800 0.268 0.000 2.874 23 Q HA 0.706 5.046 4.340 0.000 0.000 0.303 23 Q C -2.701 173.482 176.000 0.306 0.000 0.876 23 Q CA -0.978 54.983 55.803 0.264 0.000 0.765 23 Q CB 0.484 29.272 28.738 0.083 0.000 1.478 23 Q HN 0.113 nan 8.270 nan 0.000 0.434 24 L N 2.796 124.212 121.223 0.321 0.000 2.737 24 L HA 0.470 4.810 4.340 0.000 0.000 0.261 24 L C -1.055 176.003 176.870 0.315 0.000 0.949 24 L CA 0.135 55.172 54.840 0.328 0.000 0.952 24 L CB 1.416 43.773 42.059 0.497 0.000 1.337 24 L HN 0.890 nan 8.230 nan 0.000 0.430 25 N N 0.884 119.715 118.700 0.217 0.000 2.753 25 N HA -0.228 4.512 4.740 0.000 0.000 0.251 25 N C 0.461 176.079 175.510 0.180 0.000 1.097 25 N CA 0.767 53.942 53.050 0.208 0.000 0.786 25 N CB -0.865 37.739 38.487 0.195 0.000 1.137 25 N HN 0.662 nan 8.380 nan 0.000 0.566 26 R N 1.028 121.489 120.500 -0.066 0.000 2.308 26 R HA 0.365 4.705 4.340 0.000 0.000 0.305 26 R C 1.231 177.330 176.300 -0.335 0.000 1.053 26 R CA -0.482 55.235 56.100 -0.637 0.000 0.957 26 R CB 0.640 30.596 30.300 -0.572 0.000 1.022 26 R HN 0.094 nan 8.270 nan 0.000 0.461 27 L N 1.835 122.850 121.223 -0.347 0.000 2.247 27 L HA 0.112 4.452 4.340 0.000 0.000 0.174 27 L C 0.605 177.434 176.870 -0.068 0.000 0.990 27 L CA 0.087 54.854 54.840 -0.120 0.000 0.956 27 L CB -0.134 41.902 42.059 -0.037 0.000 1.315 27 L HN 0.683 nan 8.230 nan 0.000 0.522 28 A N -0.867 121.968 122.820 0.024 0.000 2.355 28 A HA 0.688 5.008 4.320 0.000 0.000 0.324 28 A C -0.140 177.557 177.584 0.188 0.000 1.117 28 A CA -0.272 51.806 52.037 0.068 0.000 0.785 28 A CB 1.266 20.316 19.000 0.082 0.000 1.254 28 A HN 0.678 nan 8.150 nan 0.000 0.453 29 A N 1.112 123.988 122.820 0.094 0.000 2.325 29 A HA 0.734 5.054 4.320 0.000 0.000 0.260 29 A C 0.233 177.902 177.584 0.142 0.000 1.133 29 A CA 1.009 53.054 52.037 0.014 0.000 0.801 29 A CB -0.093 18.861 19.000 -0.077 0.000 1.092 29 A HN 2.372 nan 8.150 nan 0.000 0.504 30 H N -5.516 113.487 119.070 -0.111 0.000 2.891 30 H HA 0.339 4.895 4.556 0.000 0.000 0.236 30 H C -3.366 171.767 175.328 -0.326 0.000 1.363 30 H CA -1.080 54.877 56.048 -0.152 0.000 1.299 30 H CB -0.594 29.118 29.762 -0.083 0.000 1.797 30 H HN 0.465 nan 8.280 nan 0.000 0.421 31 P HA 0.159 nan 4.420 nan 0.000 0.280 31 P C -2.525 174.421 177.300 -0.589 0.000 1.278 31 P CA -1.104 61.726 63.100 -0.449 0.000 0.787 31 P CB -0.509 30.894 31.700 -0.495 0.000 1.163 32 P HA 0.259 nan 4.420 nan 0.000 0.281 32 P C -1.026 176.181 177.300 -0.155 0.000 1.252 32 P CA 0.273 63.206 63.100 -0.279 0.000 0.778 32 P CB 0.126 31.778 31.700 -0.081 0.000 0.895 33 F N 1.216 121.305 119.950 0.233 0.000 2.507 33 F HA 0.629 5.156 4.527 0.000 0.000 0.327 33 F C 1.275 177.099 175.800 0.040 0.000 1.068 33 F CA -0.951 57.161 58.000 0.187 0.000 0.965 33 F CB 1.011 40.097 39.000 0.143 0.000 1.192 33 F HN 0.340 nan 8.300 nan 0.000 0.476 34 A N 0.121 123.061 122.820 0.200 0.000 1.997 34 A HA 0.365 4.685 4.320 0.000 0.000 0.198 34 A C 0.809 178.268 177.584 -0.209 0.000 1.449 34 A CA 0.710 52.595 52.037 -0.254 0.000 0.908 34 A CB -0.369 17.953 19.000 -1.130 0.000 0.984 34 A HN 0.880 nan 8.150 nan 0.000 0.487 35 S N -0.698 114.980 115.700 -0.036 0.000 3.968 35 S HA -0.110 4.360 4.470 0.000 0.000 0.373 35 S C -0.295 174.302 174.600 -0.004 0.000 0.974 35 S CA 0.194 58.368 58.200 -0.043 0.000 1.124 35 S CB -1.738 61.393 63.200 -0.115 0.000 0.862 35 S HN 0.479 nan 8.310 nan 0.000 0.492 36 W N 1.352 122.669 121.300 0.028 0.000 2.137 36 W HA 0.275 4.935 4.660 0.000 0.000 0.344 36 W C 1.259 177.786 176.519 0.013 0.000 1.286 36 W CA -0.337 57.029 57.345 0.035 0.000 1.240 36 W CB 0.268 29.750 29.460 0.036 0.000 1.141 36 W HN 0.288 nan 8.180 nan 0.000 0.579 37 R N 1.499 122.169 120.500 0.284 0.000 2.596 37 R HA 0.060 4.400 4.340 0.000 0.000 0.369 37 R C -0.516 175.879 176.300 0.159 0.000 1.042 37 R CA -0.390 55.810 56.100 0.166 0.000 1.120 37 R CB -0.562 29.806 30.300 0.113 0.000 1.353 37 R HN 0.354 nan 8.270 nan 0.000 0.564 38 N N -0.328 118.496 118.700 0.207 0.000 2.549 38 N HA 0.005 4.745 4.740 0.000 0.000 0.290 38 N C 0.589 176.106 175.510 0.012 0.000 1.122 38 N CA -0.023 53.095 53.050 0.113 0.000 0.885 38 N CB 1.637 40.178 38.487 0.091 0.000 1.455 38 N HN -0.135 nan 8.380 nan 0.000 0.521 39 S N 2.983 118.673 115.700 -0.017 0.000 2.378 39 S HA -0.297 4.173 4.470 0.000 0.000 0.229 39 S C 1.407 175.908 174.600 -0.166 0.000 1.052 39 S CA 2.240 60.392 58.200 -0.079 0.000 1.084 39 S CB -0.407 62.776 63.200 -0.029 0.000 0.950 39 S HN 0.718 nan 8.310 nan 0.000 0.440 40 E N 0.640 120.765 120.200 -0.126 0.000 2.058 40 E HA -0.162 4.188 4.350 0.000 0.000 0.194 40 E C 2.212 178.681 176.600 -0.219 0.000 0.997 40 E CA 1.671 57.964 56.400 -0.178 0.000 0.801 40 E CB -0.216 29.404 29.700 -0.133 0.000 0.746 40 E HN 0.694 nan 8.360 nan 0.000 0.450 41 E N -0.071 120.044 120.200 -0.141 0.000 2.026 41 E HA -0.320 4.030 4.350 0.000 0.000 0.206 41 E C 2.132 178.321 176.600 -0.684 0.000 1.028 41 E CA 1.263 57.592 56.400 -0.118 0.000 0.845 41 E CB -0.392 29.476 29.700 0.279 0.000 0.772 41 E HN 0.379 nan 8.360 nan 0.000 0.462 42 A N 1.403 123.318 122.820 -1.508 0.000 1.986 42 A HA -0.257 4.063 4.320 0.000 0.000 0.220 42 A C 2.105 179.049 177.584 -1.066 0.000 1.171 42 A CA 1.735 52.316 52.037 -2.427 0.000 0.640 42 A CB -0.604 17.355 19.000 -1.735 0.000 0.811 42 A HN 0.148 nan 8.150 nan 0.000 0.451 43 R N -0.355 119.775 120.500 -0.618 0.000 2.080 43 R HA -0.142 4.198 4.340 0.000 0.000 0.236 43 R C 1.907 178.017 176.300 -0.316 0.000 1.137 43 R CA 2.063 57.910 56.100 -0.422 0.000 0.943 43 R CB -0.508 29.502 30.300 -0.484 0.000 0.846 43 R HN 0.626 nan 8.270 nan 0.000 0.431 44 T N -1.773 112.621 114.554 -0.267 0.000 3.272 44 T HA 0.031 4.381 4.350 0.000 0.000 0.250 44 T C 0.055 174.737 174.700 -0.029 0.000 1.082 44 T CA 0.231 62.250 62.100 -0.135 0.000 0.968 44 T CB -0.032 68.768 68.868 -0.113 0.000 1.015 44 T HN 0.288 nan 8.240 nan 0.000 0.563 45 D N 1.674 122.053 120.400 -0.035 0.000 2.704 45 D HA -0.160 4.480 4.640 0.000 0.000 0.232 45 D C 0.478 176.955 176.300 0.296 0.000 1.183 45 D CA 0.446 54.561 54.000 0.192 0.000 0.647 45 D CB -0.487 40.417 40.800 0.174 0.000 1.013 45 D HN 0.573 nan 8.370 nan 0.000 0.415 46 R N -0.062 120.660 120.500 0.370 0.000 2.696 46 R HA 0.569 4.909 4.340 0.000 0.000 0.218 46 R C -1.978 174.542 176.300 0.367 0.000 1.202 46 R CA -0.822 55.474 56.100 0.326 0.000 1.043 46 R CB -0.505 29.964 30.300 0.283 0.000 1.292 46 R HN 0.169 nan 8.270 nan 0.000 0.521 47 P HA 0.187 nan 4.420 nan 0.000 0.301 47 P C -1.202 176.086 177.300 -0.021 0.000 1.350 47 P CA -0.549 62.607 63.100 0.093 0.000 0.941 47 P CB 1.794 33.540 31.700 0.077 0.000 1.128 48 S N 1.326 116.875 115.700 -0.251 0.000 2.457 48 S HA 0.116 4.586 4.470 0.000 0.000 0.289 48 S C 1.079 175.623 174.600 -0.094 0.000 1.163 48 S CA -0.471 57.517 58.200 -0.354 0.000 1.078 48 S CB 0.420 63.139 63.200 -0.803 0.000 0.987 48 S HN 0.311 nan 8.310 nan 0.000 0.482 49 Q N 2.986 122.794 119.800 0.014 0.000 2.500 49 Q HA -0.079 4.261 4.340 0.000 0.000 0.213 49 Q C 0.960 177.119 176.000 0.265 0.000 0.974 49 Q CA 0.791 56.669 55.803 0.125 0.000 0.918 49 Q CB -0.135 28.685 28.738 0.138 0.000 0.980 49 Q HN 0.650 nan 8.270 nan 0.000 0.505 50 Q N 0.035 119.932 119.800 0.162 0.000 2.425 50 Q HA 0.115 4.455 4.340 0.000 0.000 0.204 50 Q C -0.455 175.647 176.000 0.170 0.000 0.933 50 Q CA 0.282 56.191 55.803 0.176 0.000 0.939 50 Q CB 0.520 29.248 28.738 -0.017 0.000 1.044 50 Q HN 0.141 nan 8.270 nan 0.000 0.513 51 L N 0.831 122.122 121.223 0.113 0.000 2.272 51 L HA 0.439 4.779 4.340 0.000 0.000 0.289 51 L C -0.997 175.962 176.870 0.147 0.000 1.032 51 L CA -0.085 54.810 54.840 0.091 0.000 0.810 51 L CB 1.055 43.095 42.059 -0.031 0.000 1.205 51 L HN -0.104 nan 8.230 nan 0.000 0.422 52 R N 2.606 123.214 120.500 0.181 0.000 2.621 52 R HA 0.443 4.783 4.340 0.000 0.000 0.284 52 R C -1.206 175.131 176.300 0.061 0.000 0.998 52 R CA -0.519 55.655 56.100 0.123 0.000 0.895 52 R CB 2.235 32.612 30.300 0.129 0.000 1.195 52 R HN 0.661 nan 8.270 nan 0.000 0.450 53 S N 3.339 119.057 115.700 0.029 0.000 2.480 53 S HA 0.384 4.854 4.470 0.000 0.000 0.286 53 S C 0.381 174.989 174.600 0.013 0.000 1.180 53 S CA -0.571 57.637 58.200 0.013 0.000 1.075 53 S CB 0.568 63.781 63.200 0.022 0.000 0.996 53 S HN 0.532 nan 8.310 nan 0.000 0.487 54 L N 4.220 125.459 121.223 0.026 0.000 3.094 54 L HA 0.377 4.717 4.340 0.000 0.000 0.254 54 L C -0.056 177.043 176.870 0.382 0.000 1.298 54 L CA -0.444 54.464 54.840 0.113 0.000 1.050 54 L CB -0.355 41.735 42.059 0.052 0.000 1.420 54 L HN 0.468 nan 8.230 nan 0.000 0.548 55 N N 1.254 120.066 118.700 0.187 0.000 2.518 55 N HA 0.673 5.413 4.740 0.000 0.000 0.283 55 N C 0.560 176.190 175.510 0.199 0.000 1.119 55 N CA 0.664 53.787 53.050 0.121 0.000 0.983 55 N CB 1.958 40.459 38.487 0.024 0.000 1.139 55 N HN 0.398 nan 8.380 nan 0.000 0.465 56 G N 1.047 109.949 108.800 0.171 0.000 2.225 56 G HA2 -0.122 3.838 3.960 0.000 0.000 0.203 56 G HA3 -0.122 3.838 3.960 0.000 0.000 0.203 56 G C -1.221 173.892 174.900 0.355 0.000 1.335 56 G CA -0.830 44.398 45.100 0.214 0.000 1.183 56 G HN 0.487 nan 8.290 nan 0.000 0.488 57 E N 0.175 120.571 120.200 0.328 0.000 2.351 57 E HA 0.404 4.754 4.350 0.000 0.000 0.266 57 E C -0.911 175.979 176.600 0.483 0.000 1.031 57 E CA 0.303 56.893 56.400 0.318 0.000 0.911 57 E CB 0.427 30.233 29.700 0.176 0.000 0.986 57 E HN 0.361 nan 8.360 nan 0.000 0.446 58 W N 1.777 123.153 121.300 0.125 0.000 2.992 58 W HA 0.421 5.081 4.660 0.000 0.000 0.342 58 W C -0.091 176.531 176.519 0.171 0.000 1.176 58 W CA -0.733 56.713 57.345 0.168 0.000 1.118 58 W CB 1.005 30.612 29.460 0.245 0.000 1.457 58 W HN 0.259 nan 8.180 nan 0.000 0.573 59 R N 1.200 121.930 120.500 0.384 0.000 2.540 59 R HA 0.662 5.002 4.340 0.000 0.000 0.287 59 R C -1.372 175.113 176.300 0.308 0.000 0.980 59 R CA -0.791 55.477 56.100 0.280 0.000 0.966 59 R CB 1.597 32.005 30.300 0.180 0.000 1.106 59 R HN 0.398 nan 8.270 nan 0.000 0.480 60 F N 0.453 120.404 119.950 0.002 0.000 2.599 60 F HA 0.691 5.218 4.527 0.000 0.000 0.311 60 F C -1.613 174.044 175.800 -0.237 0.000 1.076 60 F CA -0.539 57.337 58.000 -0.206 0.000 0.937 60 F CB 2.116 40.887 39.000 -0.382 0.000 1.282 60 F HN 0.599 nan 8.300 nan 0.000 0.460 61 A N 3.462 125.442 122.820 -1.399 0.000 2.547 61 A HA 0.545 4.865 4.320 0.000 0.000 0.297 61 A C -2.527 174.281 177.584 -1.293 0.000 1.056 61 A CA -0.490 50.984 52.037 -0.939 0.000 0.688 61 A CB 0.594 19.348 19.000 -0.409 0.000 1.282 61 A HN 0.958 nan 8.150 nan 0.000 0.400 62 W N 2.107 122.774 121.300 -1.054 0.000 2.627 62 W HA 0.800 5.460 4.660 0.000 0.000 0.339 62 W C -1.822 174.169 176.519 -0.881 0.000 1.058 62 W CA -0.386 56.449 57.345 -0.850 0.000 1.223 62 W CB 1.352 30.566 29.460 -0.410 0.000 1.389 62 W HN 0.515 nan 8.180 nan 0.000 0.541 63 F N 4.774 123.940 119.950 -1.307 0.000 2.613 63 F HA 0.343 4.870 4.527 0.000 0.000 0.310 63 F C -1.517 173.453 175.800 -1.385 0.000 1.085 63 F CA -2.368 55.051 58.000 -0.968 0.000 0.945 63 F CB 1.636 40.275 39.000 -0.602 0.000 1.298 63 F HN 0.155 nan 8.300 nan 0.000 0.455 64 P HA 0.163 nan 4.420 nan 0.000 0.242 64 P C -0.381 176.853 177.300 -0.110 0.000 1.197 64 P CA 0.872 63.871 63.100 -0.168 0.000 0.765 64 P CB 0.400 32.160 31.700 0.100 0.000 0.936 65 A N -1.380 121.340 122.820 -0.166 0.000 2.517 65 A HA 0.398 4.718 4.320 0.000 0.000 0.296 65 A C -2.495 174.985 177.584 -0.173 0.000 0.983 65 A CA -0.785 51.175 52.037 -0.127 0.000 0.634 65 A CB -0.139 18.844 19.000 -0.028 0.000 1.341 65 A HN -0.299 nan 8.150 nan 0.000 0.438 66 P HA -0.192 nan 4.420 nan 0.000 0.213 66 P C 0.935 178.154 177.300 -0.136 0.000 1.170 66 P CA 2.108 65.081 63.100 -0.212 0.000 0.898 66 P CB -0.208 31.343 31.700 -0.247 0.000 0.787 67 E N -0.061 120.113 120.200 -0.043 0.000 2.444 67 E HA -0.139 4.211 4.350 0.000 0.000 0.204 67 E C 1.511 178.097 176.600 -0.024 0.000 1.049 67 E CA 1.234 57.638 56.400 0.006 0.000 0.872 67 E CB -0.740 28.989 29.700 0.049 0.000 0.791 67 E HN 0.289 nan 8.360 nan 0.000 0.548 68 A N 1.082 123.861 122.820 -0.069 0.000 2.348 68 A HA 0.224 4.544 4.320 0.000 0.000 0.224 68 A C 0.932 178.403 177.584 -0.189 0.000 1.227 68 A CA -0.326 51.693 52.037 -0.029 0.000 0.885 68 A CB 0.464 19.523 19.000 0.098 0.000 0.933 68 A HN 0.036 nan 8.150 nan 0.000 0.506 69 V N 2.283 121.962 119.914 -0.391 0.000 2.686 69 V HA 0.237 4.357 4.120 0.000 0.000 0.295 69 V C -2.277 173.659 176.094 -0.263 0.000 1.055 69 V CA -1.304 60.615 62.300 -0.634 0.000 1.050 69 V CB 0.788 32.158 31.823 -0.755 0.000 0.984 69 V HN 0.318 nan 8.190 nan 0.000 0.482 70 P HA 0.344 nan 4.420 nan 0.000 0.293 70 P C 0.387 177.685 177.300 -0.003 0.000 1.313 70 P CA -0.456 62.618 63.100 -0.044 0.000 0.787 70 P CB 1.459 33.171 31.700 0.020 0.000 0.910 71 E N 2.029 122.213 120.200 -0.027 0.000 2.136 71 E HA -0.233 4.117 4.350 0.000 0.000 0.202 71 E C 1.627 178.183 176.600 -0.074 0.000 1.019 71 E CA 2.367 58.731 56.400 -0.060 0.000 0.819 71 E CB -0.314 29.353 29.700 -0.056 0.000 0.739 71 E HN 0.433 nan 8.360 nan 0.000 0.458 72 S N -0.131 115.554 115.700 -0.025 0.000 2.423 72 S HA -0.243 4.227 4.470 0.000 0.000 0.238 72 S C 1.447 176.040 174.600 -0.012 0.000 1.028 72 S CA 1.186 59.375 58.200 -0.019 0.000 1.000 72 S CB -0.703 62.509 63.200 0.019 0.000 0.797 72 S HN 0.541 nan 8.310 nan 0.000 0.487 73 W N 2.557 123.762 121.300 -0.158 0.000 2.342 73 W HA -0.070 4.590 4.660 0.000 0.000 0.297 73 W C 1.602 177.993 176.519 -0.213 0.000 1.213 73 W CA 0.686 57.924 57.345 -0.179 0.000 1.251 73 W CB -0.706 28.610 29.460 -0.241 0.000 1.136 73 W HN 0.255 nan 8.180 nan 0.000 0.526 74 L N 0.228 121.060 121.223 -0.652 0.000 2.042 74 L HA -0.219 4.121 4.340 0.000 0.000 0.210 74 L C 2.598 179.157 176.870 -0.519 0.000 1.076 74 L CA 1.725 56.069 54.840 -0.828 0.000 0.749 74 L CB -0.642 41.022 42.059 -0.659 0.000 0.893 74 L HN -0.043 nan 8.230 nan 0.000 0.432 75 E N -1.694 118.322 120.200 -0.306 0.000 2.201 75 E HA 0.088 4.438 4.350 0.000 0.000 0.193 75 E C 0.238 176.756 176.600 -0.135 0.000 0.957 75 E CA 0.326 56.616 56.400 -0.183 0.000 0.858 75 E CB 0.457 30.090 29.700 -0.112 0.000 0.816 75 E HN 0.337 nan 8.360 nan 0.000 0.475 76 C N 1.777 121.014 119.300 -0.104 0.000 2.563 76 C HA 0.328 4.788 4.460 0.000 0.000 0.314 76 C C -0.328 174.695 174.990 0.056 0.000 1.199 76 C CA -1.183 57.819 59.018 -0.027 0.000 1.564 76 C CB 1.469 29.206 27.740 -0.005 0.000 2.173 76 C HN 0.153 nan 8.230 nan 0.000 0.485 77 D N 2.829 123.275 120.400 0.077 0.000 2.363 77 D HA 0.175 4.815 4.640 0.000 0.000 0.263 77 D C 0.202 176.583 176.300 0.136 0.000 1.258 77 D CA 0.350 54.439 54.000 0.148 0.000 0.907 77 D CB 0.536 41.396 40.800 0.099 0.000 1.107 77 D HN 0.378 nan 8.370 nan 0.000 0.495 78 L N 5.595 126.921 121.223 0.172 0.000 2.615 78 L HA -0.040 4.300 4.340 0.000 0.000 0.284 78 L C -0.842 176.069 176.870 0.068 0.000 1.237 78 L CA -0.887 54.016 54.840 0.105 0.000 0.905 78 L CB 0.058 42.170 42.059 0.087 0.000 1.149 78 L HN 0.298 nan 8.230 nan 0.000 0.499 79 P HA -0.134 nan 4.420 nan 0.000 0.219 79 P C 0.720 178.039 177.300 0.033 0.000 1.150 79 P CA 1.157 64.280 63.100 0.040 0.000 0.814 79 P CB 0.177 31.896 31.700 0.032 0.000 0.787 80 E N -0.286 119.929 120.200 0.026 0.000 2.494 80 E HA 0.306 4.656 4.350 0.000 0.000 0.193 80 E C 0.792 177.399 176.600 0.012 0.000 1.074 80 E CA -0.279 56.127 56.400 0.011 0.000 0.867 80 E CB -0.349 29.344 29.700 -0.012 0.000 0.924 80 E HN 0.169 nan 8.360 nan 0.000 0.502 81 A N 1.478 124.314 122.820 0.026 0.000 2.332 81 A HA 0.198 4.518 4.320 0.000 0.000 0.258 81 A C -0.199 177.431 177.584 0.077 0.000 1.087 81 A CA -0.451 51.606 52.037 0.032 0.000 0.802 81 A CB 0.489 19.514 19.000 0.041 0.000 1.042 81 A HN 0.076 nan 8.150 nan 0.000 0.489 82 D N 0.001 120.476 120.400 0.125 0.000 2.374 82 D HA 0.377 5.017 4.640 0.000 0.000 0.239 82 D C -0.922 175.467 176.300 0.148 0.000 0.991 82 D CA -0.227 53.855 54.000 0.137 0.000 0.960 82 D CB 1.595 42.501 40.800 0.178 0.000 1.284 82 D HN 0.377 nan 8.370 nan 0.000 0.512 83 T N 1.134 115.756 114.554 0.114 0.000 2.727 83 T HA 0.340 4.691 4.350 0.000 0.000 0.298 83 T C 0.236 175.002 174.700 0.110 0.000 0.942 83 T CA -0.364 61.811 62.100 0.126 0.000 0.997 83 T CB 0.468 69.395 68.868 0.098 0.000 0.917 83 T HN 0.058 nan 8.240 nan 0.000 0.487 84 V N 4.032 124.044 119.914 0.163 0.000 3.193 84 V HA 0.571 4.691 4.120 0.000 0.000 0.320 84 V C 0.116 176.312 176.094 0.169 0.000 1.112 84 V CA -0.824 61.545 62.300 0.115 0.000 1.026 84 V CB 2.069 33.962 31.823 0.117 0.000 1.128 84 V HN 0.519 nan 8.190 nan 0.000 0.452 85 V N 1.361 121.360 119.914 0.142 0.000 2.483 85 V HA 0.579 4.699 4.120 0.000 0.000 0.295 85 V C -0.368 175.766 176.094 0.067 0.000 1.035 85 V CA -0.424 61.949 62.300 0.121 0.000 0.896 85 V CB 1.785 33.654 31.823 0.076 0.000 0.986 85 V HN 0.545 nan 8.190 nan 0.000 0.447 86 V N 6.317 126.200 119.914 -0.051 0.000 2.735 86 V HA 0.534 4.654 4.120 0.000 0.000 0.310 86 V C -2.270 173.703 176.094 -0.201 0.000 1.061 86 V CA -1.801 60.358 62.300 -0.235 0.000 0.913 86 V CB 2.864 34.277 31.823 -0.683 0.000 1.005 86 V HN 0.752 nan 8.190 nan 0.000 0.428 87 P HA 0.483 nan 4.420 nan 0.000 0.277 87 P C -0.968 176.271 177.300 -0.102 0.000 1.271 87 P CA -0.227 62.765 63.100 -0.180 0.000 0.795 87 P CB 1.016 32.635 31.700 -0.135 0.000 1.101 88 S N -1.697 113.972 115.700 -0.052 0.000 2.680 88 S HA 0.270 4.740 4.470 0.000 0.000 0.284 88 S C -1.517 173.048 174.600 -0.058 0.000 1.055 88 S CA -1.046 57.108 58.200 -0.076 0.000 0.849 88 S CB -0.438 62.745 63.200 -0.028 0.000 1.068 88 S HN 0.302 nan 8.310 nan 0.000 0.453 89 N N 1.664 120.246 118.700 -0.196 0.000 2.422 89 N HA 0.401 5.141 4.740 0.000 0.000 0.266 89 N C 0.811 176.178 175.510 -0.239 0.000 1.007 89 N CA -0.570 52.341 53.050 -0.232 0.000 0.941 89 N CB 0.482 38.770 38.487 -0.332 0.000 1.115 89 N HN 0.820 nan 8.380 nan 0.000 0.492 90 W N 3.352 124.553 121.300 -0.164 0.000 2.325 90 W HA -0.224 4.436 4.660 0.000 0.000 0.299 90 W C 0.892 177.383 176.519 -0.047 0.000 1.215 90 W CA 1.243 58.498 57.345 -0.150 0.000 1.244 90 W CB -0.529 28.842 29.460 -0.149 0.000 1.140 90 W HN 0.505 nan 8.180 nan 0.000 0.523 91 Q N 0.465 120.265 119.800 -0.001 0.000 2.224 91 Q HA -0.075 4.265 4.340 0.000 0.000 0.203 91 Q C 1.920 177.849 176.000 -0.120 0.000 0.970 91 Q CA 1.497 57.280 55.803 -0.033 0.000 0.865 91 Q CB -0.791 27.830 28.738 -0.196 0.000 0.922 91 Q HN 0.286 nan 8.270 nan 0.000 0.445 92 M N -0.201 119.269 119.600 -0.217 0.000 2.691 92 M HA 0.019 4.499 4.480 0.000 0.000 0.227 92 M C 0.120 176.415 176.300 -0.009 0.000 1.120 92 M CA 1.018 56.202 55.300 -0.193 0.000 1.034 92 M CB -0.714 31.708 32.600 -0.296 0.000 1.675 92 M HN 0.363 nan 8.290 nan 0.000 0.514 93 H N -1.380 117.690 119.070 -0.001 0.000 2.767 93 H HA 0.309 4.865 4.556 0.000 0.000 0.260 93 H C 1.401 176.602 175.328 -0.211 0.000 1.172 93 H CA 0.003 56.032 56.048 -0.031 0.000 1.048 93 H CB 0.744 30.587 29.762 0.135 0.000 1.697 93 H HN 0.512 nan 8.280 nan 0.000 0.606 94 G N 0.967 109.756 108.800 -0.018 0.000 2.270 94 G HA2 -0.470 3.490 3.960 0.000 0.000 0.268 94 G HA3 -0.470 3.490 3.960 0.000 0.000 0.268 94 G C 0.742 175.499 174.900 -0.239 0.000 0.982 94 G CA 1.162 46.176 45.100 -0.144 0.000 0.628 94 G HN 0.512 nan 8.290 nan 0.000 0.544 95 Y N 1.911 122.163 120.300 -0.081 0.000 2.228 95 Y HA 0.150 4.700 4.550 0.000 0.000 0.285 95 Y C 1.751 177.369 175.900 -0.470 0.000 1.178 95 Y CA 1.713 59.586 58.100 -0.379 0.000 1.202 95 Y CB -0.157 38.062 38.460 -0.403 0.000 0.974 95 Y HN 0.747 nan 8.280 nan 0.000 0.527 96 D N -2.578 117.887 120.400 0.108 0.000 2.665 96 D HA 0.460 5.100 4.640 0.000 0.000 0.287 96 D C -1.254 175.120 176.300 0.124 0.000 1.266 96 D CA -0.702 53.386 54.000 0.146 0.000 0.830 96 D CB 0.635 41.658 40.800 0.373 0.000 1.356 96 D HN -0.034 nan 8.370 nan 0.000 0.437 97 A N 0.619 123.523 122.820 0.141 0.000 2.395 97 A HA 0.578 4.898 4.320 0.000 0.000 0.286 97 A C -2.252 175.350 177.584 0.031 0.000 1.193 97 A CA -0.938 51.160 52.037 0.103 0.000 0.852 97 A CB -0.493 18.617 19.000 0.182 0.000 1.118 97 A HN 0.430 nan 8.150 nan 0.000 0.524 98 P HA 0.318 nan 4.420 nan 0.000 0.269 98 P C -0.653 176.702 177.300 0.091 0.000 1.215 98 P CA 0.173 63.137 63.100 -0.227 0.000 0.780 98 P CB 0.516 31.754 31.700 -0.771 0.000 0.898 99 I N 1.695 122.456 120.570 0.318 0.000 2.603 99 I HA 0.363 4.533 4.170 0.000 0.000 0.300 99 I C -0.598 175.861 176.117 0.569 0.000 1.017 99 I CA -0.685 60.870 61.300 0.424 0.000 1.098 99 I CB 1.571 39.742 38.000 0.284 0.000 1.279 99 I HN 0.251 nan 8.210 nan 0.000 0.437 100 Y N 4.601 125.046 120.300 0.241 0.000 2.646 100 Y HA 0.602 5.152 4.550 0.000 0.000 0.334 100 Y C -0.568 175.249 175.900 -0.138 0.000 1.004 100 Y CA -0.527 57.456 58.100 -0.195 0.000 1.301 100 Y CB 0.815 38.557 38.460 -1.196 0.000 1.093 100 Y HN 0.716 nan 8.280 nan 0.000 0.530 101 T N 1.017 114.976 114.554 -0.991 0.000 2.942 101 T HA 0.314 4.664 4.350 0.000 0.000 0.289 101 T C 0.301 174.412 174.700 -0.981 0.000 1.044 101 T CA -0.785 60.797 62.100 -0.863 0.000 1.023 101 T CB 2.244 70.862 68.868 -0.418 0.000 1.123 101 T HN 0.693 nan 8.240 nan 0.000 0.512 102 N N -0.429 117.861 118.700 -0.683 0.000 2.646 102 N HA 0.026 4.766 4.740 0.000 0.000 0.214 102 N C 0.841 176.069 175.510 -0.471 0.000 1.042 102 N CA 0.259 53.016 53.050 -0.488 0.000 0.925 102 N CB 0.540 38.769 38.487 -0.429 0.000 1.383 102 N HN 0.377 nan 8.380 nan 0.000 0.439 103 V N 0.974 120.562 119.914 -0.544 0.000 2.950 103 V HA 0.077 4.197 4.120 0.000 0.000 0.231 103 V C 0.434 176.224 176.094 -0.507 0.000 1.205 103 V CA 0.794 62.704 62.300 -0.649 0.000 1.239 103 V CB 0.135 31.514 31.823 -0.741 0.000 1.050 103 V HN 0.406 nan 8.190 nan 0.000 0.498 104 T N 0.277 114.597 114.554 -0.391 0.000 2.946 104 T HA 0.044 4.394 4.350 0.000 0.000 0.312 104 T C -0.519 174.024 174.700 -0.261 0.000 1.066 104 T CA 0.194 62.132 62.100 -0.270 0.000 1.138 104 T CB -0.148 68.608 68.868 -0.188 0.000 1.014 104 T HN 0.155 nan 8.240 nan 0.000 0.544 105 Y N 3.541 123.724 120.300 -0.194 0.000 2.377 105 Y HA 0.272 4.822 4.550 0.000 0.000 0.330 105 Y C -1.253 174.489 175.900 -0.264 0.000 1.108 105 Y CA -1.951 56.010 58.100 -0.231 0.000 1.308 105 Y CB 0.811 39.120 38.460 -0.251 0.000 1.216 105 Y HN 0.536 nan 8.280 nan 0.000 0.518 106 P HA -0.028 nan 4.420 nan 0.000 0.236 106 P C -0.604 176.424 177.300 -0.454 0.000 1.172 106 P CA 1.120 64.055 63.100 -0.274 0.000 0.759 106 P CB -0.078 31.405 31.700 -0.361 0.000 0.843 107 I N -7.211 113.113 120.570 -0.409 0.000 3.102 107 I HA 0.448 4.618 4.170 0.000 0.000 0.310 107 I C -0.537 175.428 176.117 -0.253 0.000 1.246 107 I CA -1.080 59.962 61.300 -0.431 0.000 0.979 107 I CB 1.819 39.422 38.000 -0.661 0.000 1.267 107 I HN -0.477 nan 8.210 nan 0.000 0.451 108 T N 2.230 116.688 114.554 -0.159 0.000 2.856 108 T HA 0.200 4.550 4.350 0.000 0.000 0.329 108 T C 0.034 174.679 174.700 -0.093 0.000 1.094 108 T CA -0.192 61.862 62.100 -0.077 0.000 1.112 108 T CB 0.646 69.506 68.868 -0.014 0.000 1.009 108 T HN 0.417 nan 8.240 nan 0.000 0.550 109 V N 3.104 122.998 119.914 -0.034 0.000 2.294 109 V HA 0.401 4.521 4.120 0.000 0.000 0.272 109 V C 0.266 176.429 176.094 0.115 0.000 1.027 109 V CA -0.485 61.811 62.300 -0.006 0.000 0.823 109 V CB 0.316 32.118 31.823 -0.035 0.000 1.030 109 V HN 0.935 nan 8.190 nan 0.000 0.457 110 N N 5.356 124.198 118.700 0.238 0.000 2.700 110 N HA 0.331 5.071 4.740 0.000 0.000 0.242 110 N C -3.045 172.619 175.510 0.257 0.000 1.541 110 N CA -0.882 52.318 53.050 0.249 0.000 0.764 110 N CB 1.854 40.497 38.487 0.260 0.000 1.319 110 N HN 0.311 nan 8.380 nan 0.000 0.518 111 P HA 0.242 nan 4.420 nan 0.000 0.272 111 P C -2.258 174.792 177.300 -0.418 0.000 1.223 111 P CA -1.142 61.584 63.100 -0.623 0.000 0.784 111 P CB 0.526 31.649 31.700 -0.962 0.000 0.923 112 P HA 0.146 nan 4.420 nan 0.000 0.256 112 P C -0.328 176.838 177.300 -0.225 0.000 1.384 112 P CA -0.118 62.706 63.100 -0.461 0.000 0.879 112 P CB -0.178 31.312 31.700 -0.350 0.000 1.403 113 F N -0.180 119.831 119.950 0.102 0.000 2.496 113 F HA 0.147 4.674 4.527 0.000 0.000 0.344 113 F C 1.400 177.421 175.800 0.369 0.000 1.155 113 F CA -0.054 58.076 58.000 0.216 0.000 1.302 113 F CB -0.029 39.060 39.000 0.148 0.000 1.159 113 F HN -0.251 nan 8.300 nan 0.000 0.595 114 V N 1.741 121.995 119.914 0.566 0.000 3.181 114 V HA 0.527 4.647 4.120 0.000 0.000 0.314 114 V C -2.123 174.170 176.094 0.331 0.000 1.173 114 V CA -1.873 60.692 62.300 0.443 0.000 1.052 114 V CB 2.377 34.532 31.823 0.553 0.000 1.123 114 V HN 0.575 nan 8.190 nan 0.000 0.454 115 P HA 0.226 nan 4.420 nan 0.000 0.282 115 P C 0.510 177.946 177.300 0.227 0.000 1.249 115 P CA -0.095 63.126 63.100 0.202 0.000 0.806 115 P CB 0.736 32.531 31.700 0.160 0.000 0.984 116 T N -2.024 112.631 114.554 0.167 0.000 3.051 116 T HA -0.086 4.264 4.350 0.000 0.000 0.269 116 T C 0.145 174.929 174.700 0.140 0.000 1.127 116 T CA 0.840 63.029 62.100 0.148 0.000 1.107 116 T CB -0.594 68.336 68.868 0.104 0.000 0.898 116 T HN 0.381 nan 8.240 nan 0.000 0.517 117 E N 1.982 122.280 120.200 0.164 0.000 2.207 117 E HA 0.456 4.806 4.350 0.000 0.000 0.250 117 E C -1.019 175.716 176.600 0.224 0.000 0.890 117 E CA -0.540 55.959 56.400 0.165 0.000 0.749 117 E CB 0.851 30.656 29.700 0.174 0.000 1.193 117 E HN 0.129 nan 8.360 nan 0.000 0.423 118 N N 3.652 122.431 118.700 0.131 0.000 2.569 118 N HA 0.277 5.017 4.740 0.000 0.000 0.254 118 N C -2.691 172.797 175.510 -0.036 0.000 1.004 118 N CA -2.571 50.547 53.050 0.112 0.000 0.904 118 N CB 1.170 39.671 38.487 0.022 0.000 1.165 118 N HN 0.076 nan 8.380 nan 0.000 0.513 119 P HA -0.001 nan 4.420 nan 0.000 0.250 119 P C -0.626 176.576 177.300 -0.163 0.000 1.161 119 P CA 0.476 63.527 63.100 -0.082 0.000 0.863 119 P CB -0.250 31.682 31.700 0.387 0.000 0.827 120 T N 2.774 117.033 114.554 -0.491 0.000 2.806 120 T HA 0.517 4.867 4.350 0.000 0.000 0.290 120 T C 0.810 175.035 174.700 -0.793 0.000 0.966 120 T CA -0.367 61.468 62.100 -0.441 0.000 1.060 120 T CB 1.205 69.850 68.868 -0.372 0.000 0.927 120 T HN 0.305 nan 8.240 nan 0.000 0.485 121 G N 1.233 109.645 108.800 -0.647 0.000 2.866 121 G HA2 0.417 4.377 3.960 0.000 0.000 0.318 121 G HA3 0.417 4.377 3.960 0.000 0.000 0.318 121 G C 0.014 174.699 174.900 -0.357 0.000 1.336 121 G CA -0.589 44.016 45.100 -0.824 0.000 1.067 121 G HN 0.930 nan 8.290 nan 0.000 0.515 122 C N 3.802 122.655 119.300 -0.746 0.000 2.423 122 C HA 0.270 4.730 4.460 0.000 0.000 0.378 122 C C 0.454 175.258 174.990 -0.309 0.000 1.068 122 C CA -1.330 57.276 59.018 -0.687 0.000 1.371 122 C CB -2.521 24.258 27.740 -1.602 0.000 1.856 122 C HN 0.565 nan 8.230 nan 0.000 0.523 123 Y N 1.748 122.144 120.300 0.160 0.000 2.230 123 Y HA 0.543 5.093 4.550 0.000 0.000 0.354 123 Y C 1.058 177.322 175.900 0.605 0.000 1.343 123 Y CA -0.081 58.298 58.100 0.465 0.000 1.693 123 Y CB 0.228 39.067 38.460 0.631 0.000 1.553 123 Y HN 0.676 nan 8.280 nan 0.000 0.599 124 S N 0.126 116.316 115.700 0.817 0.000 2.715 124 S HA 0.507 4.977 4.470 0.000 0.000 0.290 124 S C -2.222 172.415 174.600 0.062 0.000 1.008 124 S CA -0.934 57.549 58.200 0.470 0.000 0.850 124 S CB 0.636 64.134 63.200 0.497 0.000 1.059 124 S HN 0.938 nan 8.310 nan 0.000 0.455 125 L N 1.095 122.191 121.223 -0.212 0.000 2.506 125 L HA 0.888 5.228 4.340 0.000 0.000 0.257 125 L C -1.144 175.663 176.870 -0.105 0.000 0.964 125 L CA 0.130 54.692 54.840 -0.462 0.000 0.836 125 L CB 2.013 43.177 42.059 -1.493 0.000 1.384 125 L HN 0.896 nan 8.230 nan 0.000 0.410 126 T N 4.853 119.391 114.554 -0.027 0.000 2.786 126 T HA 0.799 5.149 4.350 0.000 0.000 0.283 126 T C -1.048 173.759 174.700 0.178 0.000 0.992 126 T CA -0.030 62.122 62.100 0.086 0.000 0.954 126 T CB 0.392 69.263 68.868 0.005 0.000 0.934 126 T HN 0.522 nan 8.240 nan 0.000 0.440 127 F N 1.011 120.884 119.950 -0.128 0.000 2.715 127 F HA 0.788 5.315 4.527 0.000 0.000 0.318 127 F C -1.006 174.741 175.800 -0.089 0.000 1.141 127 F CA -1.818 56.116 58.000 -0.110 0.000 0.950 127 F CB 0.807 39.734 39.000 -0.122 0.000 1.374 127 F HN 0.219 nan 8.300 nan 0.000 0.477 128 N N -0.487 118.161 118.700 -0.087 0.000 2.404 128 N HA 0.807 5.547 4.740 0.000 0.000 0.297 128 N C -1.481 173.951 175.510 -0.131 0.000 1.163 128 N CA -0.559 52.377 53.050 -0.189 0.000 0.864 128 N CB 2.220 40.642 38.487 -0.108 0.000 1.247 128 N HN 0.604 nan 8.380 nan 0.000 0.510 129 V N -0.468 119.331 119.914 -0.192 0.000 3.040 129 V HA 0.415 4.535 4.120 0.000 0.000 0.312 129 V C -0.390 175.550 176.094 -0.256 0.000 1.115 129 V CA -1.047 61.122 62.300 -0.218 0.000 0.998 129 V CB 2.016 33.778 31.823 -0.103 0.000 1.042 129 V HN 0.562 nan 8.190 nan 0.000 0.433 130 D N 1.216 121.345 120.400 -0.452 0.000 2.382 130 D HA 0.120 4.760 4.640 0.000 0.000 0.245 130 D C 1.241 177.481 176.300 -0.100 0.000 1.120 130 D CA 0.017 53.822 54.000 -0.325 0.000 0.890 130 D CB 1.603 42.138 40.800 -0.443 0.000 1.201 130 D HN 0.798 nan 8.370 nan 0.000 0.433 131 E N 1.311 121.488 120.200 -0.038 0.000 2.058 131 E HA -0.219 4.131 4.350 0.000 0.000 0.194 131 E C 1.818 178.469 176.600 0.085 0.000 0.997 131 E CA 1.354 57.766 56.400 0.021 0.000 0.801 131 E CB -0.352 29.356 29.700 0.013 0.000 0.746 131 E HN 0.499 nan 8.360 nan 0.000 0.450 132 S N 1.031 116.795 115.700 0.107 0.000 2.392 132 S HA -0.213 4.257 4.470 0.000 0.000 0.232 132 S C 1.516 176.273 174.600 0.261 0.000 1.041 132 S CA 1.197 59.506 58.200 0.180 0.000 1.026 132 S CB -0.870 62.452 63.200 0.203 0.000 0.845 132 S HN 0.387 nan 8.310 nan 0.000 0.465 133 W N 1.432 122.642 121.300 -0.149 0.000 2.848 133 W HA 0.343 5.003 4.660 0.000 0.000 0.241 133 W C 1.826 178.324 176.519 -0.036 0.000 1.289 133 W CA -0.468 56.702 57.345 -0.291 0.000 1.396 133 W CB -0.501 28.730 29.460 -0.383 0.000 1.138 133 W HN 0.302 nan 8.180 nan 0.000 0.677 134 L N -1.309 120.041 121.223 0.211 0.000 2.388 134 L HA 0.000 4.340 4.340 0.000 0.000 0.209 134 L C 2.094 179.035 176.870 0.119 0.000 1.061 134 L CA 0.708 55.636 54.840 0.146 0.000 0.834 134 L CB -0.832 41.284 42.059 0.094 0.000 1.029 134 L HN -0.049 nan 8.230 nan 0.000 0.473 135 Q N 0.823 120.692 119.800 0.116 0.000 1.891 135 Q HA -0.151 4.189 4.340 0.000 0.000 0.214 135 Q C 0.494 176.551 176.000 0.094 0.000 0.995 135 Q CA 1.494 57.353 55.803 0.092 0.000 0.866 135 Q CB 0.009 28.801 28.738 0.089 0.000 0.931 135 Q HN 0.557 nan 8.270 nan 0.000 0.422 136 E N -0.992 119.280 120.200 0.120 0.000 2.518 136 E HA 0.551 4.901 4.350 0.000 0.000 0.248 136 E C 0.277 176.936 176.600 0.098 0.000 1.028 136 E CA -0.692 55.760 56.400 0.087 0.000 0.922 136 E CB 0.485 30.222 29.700 0.062 0.000 1.299 136 E HN 0.336 nan 8.360 nan 0.000 0.457 137 G N 0.252 109.023 108.800 -0.049 0.000 2.801 137 G HA2 -0.299 3.661 3.960 0.000 0.000 0.244 137 G HA3 -0.299 3.661 3.960 0.000 0.000 0.244 137 G C -0.712 174.119 174.900 -0.115 0.000 1.385 137 G CA 0.194 45.149 45.100 -0.241 0.000 0.894 137 G HN 0.626 nan 8.290 nan 0.000 0.562 138 Q N -0.539 119.137 119.800 -0.207 0.000 2.340 138 Q HA 0.618 4.958 4.340 0.000 0.000 0.268 138 Q C -1.116 174.870 176.000 -0.023 0.000 1.031 138 Q CA -0.480 55.286 55.803 -0.062 0.000 0.804 138 Q CB 1.822 30.527 28.738 -0.055 0.000 1.286 138 Q HN 0.560 nan 8.270 nan 0.000 0.448 139 T N 4.857 119.474 114.554 0.105 0.000 2.772 139 T HA 0.458 4.808 4.350 0.000 0.000 0.288 139 T C -0.743 174.063 174.700 0.176 0.000 0.994 139 T CA -0.598 61.599 62.100 0.161 0.000 0.951 139 T CB 0.396 69.424 68.868 0.266 0.000 0.933 139 T HN 0.638 nan 8.240 nan 0.000 0.447 140 R N 3.187 123.776 120.500 0.149 0.000 2.778 140 R HA 0.750 5.090 4.340 0.000 0.000 0.277 140 R C -1.006 175.405 176.300 0.185 0.000 0.977 140 R CA -0.952 55.253 56.100 0.175 0.000 0.950 140 R CB 1.425 31.813 30.300 0.147 0.000 1.165 140 R HN 0.512 nan 8.270 nan 0.000 0.474 141 I N 3.201 123.901 120.570 0.216 0.000 2.336 141 I HA 0.366 4.536 4.170 0.000 0.000 0.292 141 I C -1.018 175.216 176.117 0.196 0.000 0.991 141 I CA -1.061 60.341 61.300 0.170 0.000 1.227 141 I CB 1.013 39.118 38.000 0.175 0.000 1.366 141 I HN 0.622 nan 8.210 nan 0.000 0.466 142 I N 8.005 128.582 120.570 0.012 0.000 2.382 142 I HA 0.252 4.422 4.170 0.000 0.000 0.285 142 I C -1.102 174.904 176.117 -0.185 0.000 1.007 142 I CA -0.300 61.008 61.300 0.013 0.000 1.142 142 I CB 0.879 38.887 38.000 0.014 0.000 1.289 142 I HN 0.419 nan 8.210 nan 0.000 0.453 143 F N 4.599 124.569 119.950 0.033 0.000 2.300 143 F HA 0.246 4.773 4.527 0.000 0.000 0.364 143 F C 1.414 177.116 175.800 -0.163 0.000 1.090 143 F CA -0.507 57.443 58.000 -0.084 0.000 1.200 143 F CB 0.215 39.163 39.000 -0.088 0.000 1.493 143 F HN 0.459 nan 8.300 nan 0.000 0.518 144 D N 1.984 122.337 120.400 -0.079 0.000 2.239 144 D HA -0.092 4.548 4.640 0.000 0.000 0.202 144 D C 1.097 177.247 176.300 -0.251 0.000 0.993 144 D CA 1.293 55.201 54.000 -0.154 0.000 0.874 144 D CB 0.290 40.972 40.800 -0.198 0.000 0.922 144 D HN 0.599 nan 8.370 nan 0.000 0.464 145 G N -1.151 107.414 108.800 -0.392 0.000 2.715 145 G HA2 0.453 4.413 3.960 0.000 0.000 0.297 145 G HA3 0.453 4.413 3.960 0.000 0.000 0.297 145 G C -1.581 172.799 174.900 -0.866 0.000 1.386 145 G CA -0.450 44.197 45.100 -0.756 0.000 1.157 145 G HN -0.046 nan 8.290 nan 0.000 0.585 146 V N 2.685 122.214 119.914 -0.642 0.000 2.577 146 V HA 0.452 4.572 4.120 0.000 0.000 0.294 146 V C -0.902 175.073 176.094 -0.198 0.000 1.052 146 V CA -1.174 60.822 62.300 -0.506 0.000 0.891 146 V CB 1.663 32.932 31.823 -0.924 0.000 1.017 146 V HN 0.761 nan 8.190 nan 0.000 0.436 147 N N 2.309 121.049 118.700 0.066 0.000 2.362 147 N HA 0.394 5.134 4.740 0.000 0.000 0.298 147 N C 0.900 176.385 175.510 -0.042 0.000 1.048 147 N CA 0.346 53.454 53.050 0.098 0.000 0.858 147 N CB 2.437 41.059 38.487 0.225 0.000 1.218 147 N HN 0.570 nan 8.380 nan 0.000 0.488 148 S N 2.700 118.379 115.700 -0.036 0.000 2.371 148 S HA 0.370 4.840 4.470 0.000 0.000 0.219 148 S C 0.649 175.302 174.600 0.089 0.000 1.040 148 S CA 0.787 59.014 58.200 0.046 0.000 0.958 148 S CB -0.164 63.081 63.200 0.076 0.000 0.860 148 S HN 0.726 nan 8.310 nan 0.000 0.487 149 A N 0.281 123.173 122.820 0.121 0.000 2.437 149 A HA 0.841 5.161 4.320 0.000 0.000 0.288 149 A C -1.098 176.656 177.584 0.284 0.000 1.201 149 A CA -0.667 51.464 52.037 0.156 0.000 0.795 149 A CB 0.950 20.089 19.000 0.231 0.000 1.359 149 A HN 1.345 nan 8.150 nan 0.000 0.435 150 F N -1.787 117.990 119.950 -0.287 0.000 2.735 150 F HA 0.435 4.962 4.527 0.000 0.000 0.316 150 F C -1.597 174.082 175.800 -0.202 0.000 1.093 150 F CA -1.042 56.861 58.000 -0.161 0.000 0.989 150 F CB -0.086 38.822 39.000 -0.152 0.000 1.246 150 F HN 0.656 nan 8.300 nan 0.000 0.463 151 H N 2.722 121.839 119.070 0.079 0.000 2.496 151 H HA 0.848 5.404 4.556 0.000 0.000 0.342 151 H C -0.793 174.365 175.328 -0.283 0.000 1.170 151 H CA -0.331 55.670 56.048 -0.079 0.000 1.274 151 H CB 2.364 32.173 29.762 0.078 0.000 1.538 151 H HN 0.888 nan 8.280 nan 0.000 0.542 152 L N 0.500 121.405 121.223 -0.531 0.000 2.277 152 L HA 0.562 4.902 4.340 0.000 0.000 0.254 152 L C -1.773 174.756 176.870 -0.569 0.000 1.044 152 L CA -0.559 54.042 54.840 -0.398 0.000 0.842 152 L CB 2.461 44.154 42.059 -0.611 0.000 1.422 152 L HN 0.539 nan 8.230 nan 0.000 0.422 153 W N 1.311 122.463 121.300 -0.247 0.000 3.363 153 W HA 0.506 5.166 4.660 0.000 0.000 0.306 153 W C -1.697 174.673 176.519 -0.249 0.000 1.253 153 W CA -0.729 56.464 57.345 -0.252 0.000 1.195 153 W CB 1.783 31.135 29.460 -0.181 0.000 1.366 153 W HN 0.702 nan 8.180 nan 0.000 0.551 154 C N 3.623 122.898 119.300 -0.041 0.000 2.626 154 C HA 0.336 4.796 4.460 0.000 0.000 0.310 154 C C 0.562 175.587 174.990 0.058 0.000 1.191 154 C CA -0.350 58.623 59.018 -0.075 0.000 1.517 154 C CB 0.593 28.151 27.740 -0.304 0.000 2.102 154 C HN 0.769 nan 8.230 nan 0.000 0.479 155 N N 2.804 121.535 118.700 0.051 0.000 2.675 155 N HA -0.217 4.523 4.740 0.000 0.000 0.252 155 N C 1.060 176.606 175.510 0.059 0.000 1.008 155 N CA 1.971 55.045 53.050 0.041 0.000 0.779 155 N CB -1.009 37.501 38.487 0.038 0.000 0.954 155 N HN 1.614 nan 8.380 nan 0.000 0.541 156 G N -1.413 107.413 108.800 0.043 0.000 2.232 156 G HA2 -0.311 3.649 3.960 0.000 0.000 0.226 156 G HA3 -0.311 3.649 3.960 0.000 0.000 0.226 156 G C 0.076 175.106 174.900 0.217 0.000 0.996 156 G CA 0.159 45.278 45.100 0.031 0.000 0.626 156 G HN 0.504 nan 8.290 nan 0.000 0.509 157 R N -0.533 120.159 120.500 0.319 0.000 2.294 157 R HA 0.463 4.803 4.340 0.000 0.000 0.319 157 R C 0.098 176.619 176.300 0.369 0.000 0.984 157 R CA -0.844 55.525 56.100 0.449 0.000 0.861 157 R CB 1.045 31.665 30.300 0.534 0.000 1.104 157 R HN 0.248 nan 8.270 nan 0.000 0.451 158 W N 3.447 124.832 121.300 0.141 0.000 2.274 158 W HA -0.016 4.644 4.660 0.000 0.000 0.345 158 W C -0.021 176.297 176.519 -0.336 0.000 1.265 158 W CA 0.444 57.461 57.345 -0.545 0.000 1.293 158 W CB 0.520 29.706 29.460 -0.457 0.000 1.175 158 W HN 0.326 nan 8.180 nan 0.000 0.577 159 V N 3.566 122.416 119.914 -1.774 0.000 3.449 159 V HA 0.517 4.637 4.120 0.000 0.000 0.208 159 V C 0.818 175.611 176.094 -2.170 0.000 1.269 159 V CA 0.887 62.321 62.300 -1.443 0.000 1.301 159 V CB 0.077 31.180 31.823 -1.200 0.000 1.306 159 V HN 0.796 nan 8.190 nan 0.000 0.531 160 G N -1.946 105.553 108.800 -2.169 0.000 3.100 160 G HA2 0.553 4.513 3.960 0.000 0.000 0.174 160 G HA3 0.553 4.513 3.960 0.000 0.000 0.174 160 G C -1.759 172.840 174.900 -0.502 0.000 1.136 160 G CA 0.177 44.472 45.100 -1.342 0.000 0.881 160 G HN 0.207 nan 8.290 nan 0.000 0.616 161 Y N -1.437 118.646 120.300 -0.361 0.000 2.852 161 Y HA 0.528 5.078 4.550 0.000 0.000 0.350 161 Y C -0.737 175.019 175.900 -0.239 0.000 1.272 161 Y CA -0.015 57.869 58.100 -0.360 0.000 1.086 161 Y CB 1.204 39.681 38.460 0.028 0.000 1.408 161 Y HN 1.571 nan 8.280 nan 0.000 0.447 162 G N 2.436 110.483 108.800 -1.255 0.000 2.443 162 G HA2 0.489 4.449 3.960 0.000 0.000 0.303 162 G HA3 0.489 4.449 3.960 0.000 0.000 0.303 162 G C -2.359 172.313 174.900 -0.380 0.000 1.613 162 G CA -0.891 43.929 45.100 -0.468 0.000 0.879 162 G HN 0.617 nan 8.290 nan 0.000 0.632 163 Q N -0.021 119.727 119.800 -0.086 0.000 2.712 163 Q HA 0.671 5.011 4.340 0.000 0.000 0.267 163 Q C -0.811 175.234 176.000 0.075 0.000 1.062 163 Q CA -0.818 55.008 55.803 0.039 0.000 0.888 163 Q CB 1.940 30.753 28.738 0.125 0.000 1.374 163 Q HN 0.720 nan 8.270 nan 0.000 0.498 164 D N 0.008 120.469 120.400 0.103 0.000 4.669 164 D HA -0.102 4.538 4.640 0.000 0.000 0.240 164 D C -0.286 176.056 176.300 0.070 0.000 1.111 164 D CA 0.686 54.743 54.000 0.095 0.000 1.179 164 D CB -0.536 40.313 40.800 0.082 0.000 0.750 164 D HN 0.588 nan 8.370 nan 0.000 0.360 165 S N 3.125 118.882 115.700 0.095 0.000 2.561 165 S HA -0.018 4.452 4.470 0.000 0.000 0.225 165 S C 1.520 176.159 174.600 0.065 0.000 0.977 165 S CA 0.224 58.474 58.200 0.083 0.000 0.926 165 S CB 0.403 63.697 63.200 0.157 0.000 0.769 165 S HN 0.473 nan 8.310 nan 0.000 0.533 166 R N 0.299 120.843 120.500 0.073 0.000 2.335 166 R HA 0.462 4.802 4.340 0.000 0.000 0.210 166 R C -0.165 176.161 176.300 0.044 0.000 0.892 166 R CA -0.026 56.119 56.100 0.074 0.000 1.048 166 R CB -0.491 29.903 30.300 0.157 0.000 1.067 166 R HN 0.368 nan 8.270 nan 0.000 0.524 167 L N 2.561 123.796 121.223 0.021 0.000 2.317 167 L HA 0.437 4.777 4.340 0.000 0.000 0.281 167 L C -2.223 174.623 176.870 -0.040 0.000 1.024 167 L CA -2.266 52.571 54.840 -0.005 0.000 0.810 167 L CB 1.464 43.525 42.059 0.003 0.000 1.240 167 L HN -0.230 nan 8.230 nan 0.000 0.427 168 P HA -0.034 nan 4.420 nan 0.000 0.259 168 P C -0.812 176.477 177.300 -0.019 0.000 1.163 168 P CA 0.338 63.404 63.100 -0.057 0.000 0.760 168 P CB 0.412 32.048 31.700 -0.106 0.000 0.762 169 S N 2.456 118.201 115.700 0.075 0.000 2.449 169 S HA 0.362 4.832 4.470 0.000 0.000 0.310 169 S C -0.268 174.424 174.600 0.152 0.000 1.096 169 S CA -0.635 57.625 58.200 0.099 0.000 1.095 169 S CB 0.764 64.125 63.200 0.267 0.000 1.007 169 S HN 0.356 nan 8.310 nan 0.000 0.474 170 E N 2.012 122.128 120.200 -0.139 0.000 2.256 170 E HA 0.731 5.081 4.350 0.000 0.000 0.267 170 E C -1.421 174.982 176.600 -0.328 0.000 0.892 170 E CA -0.721 55.664 56.400 -0.025 0.000 0.775 170 E CB 1.473 31.233 29.700 0.099 0.000 1.207 170 E HN 0.397 nan 8.360 nan 0.000 0.420 171 F N -0.139 119.895 119.950 0.139 0.000 2.608 171 F HA 0.271 4.798 4.527 0.000 0.000 0.309 171 F C -0.484 175.373 175.800 0.096 0.000 1.103 171 F CA -1.285 56.767 58.000 0.085 0.000 0.954 171 F CB 1.359 40.365 39.000 0.010 0.000 1.267 171 F HN 0.293 nan 8.300 nan 0.000 0.444 172 D N 2.252 122.825 120.400 0.288 0.000 2.343 172 D HA 0.225 4.865 4.640 0.000 0.000 0.255 172 D C 0.519 176.979 176.300 0.267 0.000 1.187 172 D CA 0.290 54.426 54.000 0.226 0.000 0.875 172 D CB 1.151 42.059 40.800 0.179 0.000 1.136 172 D HN 0.636 nan 8.370 nan 0.000 0.469 173 L N 2.751 124.124 121.223 0.250 0.000 2.567 173 L HA -0.044 4.296 4.340 0.000 0.000 0.225 173 L C 2.228 179.323 176.870 0.376 0.000 1.119 173 L CA -0.082 54.927 54.840 0.281 0.000 0.871 173 L CB -0.012 42.178 42.059 0.219 0.000 1.036 173 L HN 0.335 nan 8.230 nan 0.000 0.459 174 S N 1.182 117.049 115.700 0.277 0.000 2.407 174 S HA -0.371 4.099 4.470 0.000 0.000 0.244 174 S C 2.104 176.807 174.600 0.171 0.000 1.077 174 S CA 2.035 60.356 58.200 0.202 0.000 1.159 174 S CB -0.389 62.890 63.200 0.132 0.000 1.045 174 S HN 0.590 nan 8.310 nan 0.000 0.438 175 A N 0.003 122.898 122.820 0.124 0.000 2.178 175 A HA 0.032 4.352 4.320 0.000 0.000 0.218 175 A C 1.450 178.888 177.584 -0.243 0.000 1.157 175 A CA 1.348 53.276 52.037 -0.181 0.000 0.689 175 A CB -0.569 18.116 19.000 -0.525 0.000 0.787 175 A HN 0.569 nan 8.150 nan 0.000 0.465 176 F N -1.613 118.367 119.950 0.050 0.000 2.740 176 F HA 0.369 4.896 4.527 0.000 0.000 0.304 176 F C 0.491 176.312 175.800 0.034 0.000 1.098 176 F CA -1.352 56.673 58.000 0.042 0.000 1.258 176 F CB -0.451 38.574 39.000 0.042 0.000 1.061 176 F HN -0.152 nan 8.300 nan 0.000 0.598 177 L N 3.555 124.934 121.223 0.260 0.000 2.534 177 L HA 0.136 4.476 4.340 0.000 0.000 0.271 177 L C 0.551 177.466 176.870 0.075 0.000 1.178 177 L CA 0.647 55.572 54.840 0.143 0.000 0.907 177 L CB 0.209 42.369 42.059 0.168 0.000 1.164 177 L HN 0.193 nan 8.230 nan 0.000 0.482 178 R N 2.162 122.668 120.500 0.009 0.000 2.700 178 R HA 0.651 4.991 4.340 0.000 0.000 0.253 178 R C -0.198 176.077 176.300 -0.043 0.000 1.091 178 R CA -0.835 55.257 56.100 -0.013 0.000 1.104 178 R CB 1.111 31.394 30.300 -0.029 0.000 1.202 178 R HN 0.700 nan 8.270 nan 0.000 0.532 179 A N 0.614 123.412 122.820 -0.037 0.000 2.401 179 A HA 0.524 4.844 4.320 0.000 0.000 0.259 179 A C 0.728 178.262 177.584 -0.083 0.000 1.103 179 A CA 0.657 52.664 52.037 -0.050 0.000 0.789 179 A CB -0.089 18.893 19.000 -0.030 0.000 1.035 179 A HN 0.848 nan 8.150 nan 0.000 0.491 180 G N 1.284 110.019 108.800 -0.108 0.000 2.512 180 G HA2 -0.211 3.749 3.960 0.000 0.000 0.254 180 G HA3 -0.211 3.749 3.960 0.000 0.000 0.254 180 G C 0.045 174.824 174.900 -0.202 0.000 1.199 180 G CA 0.189 45.211 45.100 -0.129 0.000 0.941 180 G HN 1.085 nan 8.290 nan 0.000 0.569 181 E N 1.505 121.599 120.200 -0.177 0.000 2.765 181 E HA 0.059 4.409 4.350 0.000 0.000 0.256 181 E C -0.034 176.381 176.600 -0.309 0.000 0.935 181 E CA 0.686 56.956 56.400 -0.217 0.000 0.954 181 E CB -0.042 29.578 29.700 -0.133 0.000 0.908 181 E HN 0.399 nan 8.360 nan 0.000 0.500 182 N N 3.278 121.662 118.700 -0.526 0.000 2.249 182 N HA 0.280 5.020 4.740 0.000 0.000 0.296 182 N C -0.987 174.297 175.510 -0.378 0.000 1.051 182 N CA -0.582 52.093 53.050 -0.626 0.000 0.815 182 N CB 1.974 39.822 38.487 -1.064 0.000 1.487 182 N HN 0.316 nan 8.380 nan 0.000 0.475 183 R N 2.525 122.954 120.500 -0.118 0.000 2.439 183 R HA 0.448 4.788 4.340 0.000 0.000 0.310 183 R C -1.035 175.315 176.300 0.082 0.000 0.955 183 R CA -0.542 55.568 56.100 0.015 0.000 0.853 183 R CB 0.994 31.270 30.300 -0.040 0.000 1.171 183 R HN 0.508 nan 8.270 nan 0.000 0.449 184 L N 2.643 123.957 121.223 0.152 0.000 2.334 184 L HA 0.550 4.890 4.340 0.000 0.000 0.277 184 L C 0.023 176.974 176.870 0.135 0.000 1.075 184 L CA -0.331 54.600 54.840 0.151 0.000 0.804 184 L CB 1.829 43.975 42.059 0.145 0.000 1.174 184 L HN 0.739 nan 8.230 nan 0.000 0.438 185 A N 3.492 126.410 122.820 0.163 0.000 3.007 185 A HA 0.540 4.860 4.320 0.000 0.000 0.314 185 A C -0.807 177.086 177.584 0.516 0.000 1.153 185 A CA -0.475 51.636 52.037 0.124 0.000 0.780 185 A CB 0.440 18.899 19.000 -0.901 0.000 1.258 185 A HN 0.338 nan 8.150 nan 0.000 0.460 186 V N 1.864 122.219 119.914 0.734 0.000 2.555 186 V HA 0.431 4.551 4.120 0.000 0.000 0.286 186 V C 0.483 177.091 176.094 0.856 0.000 1.044 186 V CA -0.003 62.733 62.300 0.726 0.000 1.026 186 V CB 1.007 33.187 31.823 0.594 0.000 0.981 186 V HN 0.894 nan 8.190 nan 0.000 0.480 187 M N 5.988 126.060 119.600 0.787 0.000 2.027 187 M HA 0.542 5.022 4.480 0.000 0.000 0.329 187 M C -1.354 175.213 176.300 0.445 0.000 0.971 187 M CA -0.380 55.279 55.300 0.597 0.000 0.933 187 M CB 1.274 34.281 32.600 0.679 0.000 1.392 187 M HN 0.402 nan 8.290 nan 0.000 0.394 188 V N 6.031 126.169 119.914 0.373 0.000 2.488 188 V HA 0.334 4.454 4.120 0.000 0.000 0.277 188 V C 0.060 176.320 176.094 0.277 0.000 1.046 188 V CA -0.404 62.102 62.300 0.344 0.000 0.986 188 V CB 0.649 32.737 31.823 0.442 0.000 0.989 188 V HN 0.822 nan 8.190 nan 0.000 0.475 189 L N 4.764 126.098 121.223 0.184 0.000 2.325 189 L HA 0.597 4.937 4.340 0.000 0.000 0.278 189 L C 1.362 178.244 176.870 0.019 0.000 1.023 189 L CA -0.599 54.278 54.840 0.061 0.000 0.811 189 L CB 1.375 43.369 42.059 -0.108 0.000 1.249 189 L HN 0.500 nan 8.230 nan 0.000 0.431 190 R N 1.710 122.138 120.500 -0.121 0.000 2.052 190 R HA 0.026 4.366 4.340 0.000 0.000 0.226 190 R C -0.398 175.553 176.300 -0.582 0.000 1.145 190 R CA 1.219 56.983 56.100 -0.559 0.000 0.952 190 R CB 0.135 29.873 30.300 -0.937 0.000 0.847 190 R HN 0.570 nan 8.270 nan 0.000 0.431 191 W N 0.618 121.985 121.300 0.113 0.000 2.390 191 W HA 0.348 5.008 4.660 0.000 0.000 0.312 191 W C 0.217 176.864 176.519 0.213 0.000 1.123 191 W CA -0.659 56.768 57.345 0.138 0.000 1.202 191 W CB 1.176 30.712 29.460 0.126 0.000 1.251 191 W HN 0.001 nan 8.180 nan 0.000 0.511 192 S N 0.818 116.829 115.700 0.519 0.000 2.720 192 S HA 0.196 4.666 4.470 0.000 0.000 0.287 192 S C 0.845 175.770 174.600 0.541 0.000 1.168 192 S CA -0.486 58.034 58.200 0.533 0.000 0.832 192 S CB 1.092 64.565 63.200 0.455 0.000 1.166 192 S HN 0.636 nan 8.310 nan 0.000 0.493 193 D N 0.825 121.531 120.400 0.509 0.000 2.144 193 D HA -0.054 4.586 4.640 0.000 0.000 0.199 193 D C 1.864 178.510 176.300 0.576 0.000 0.984 193 D CA 1.430 55.748 54.000 0.529 0.000 0.834 193 D CB -1.098 39.904 40.800 0.337 0.000 0.955 193 D HN 0.699 nan 8.370 nan 0.000 0.465 194 G N 0.810 109.874 108.800 0.441 0.000 2.462 194 G HA2 -0.282 3.678 3.960 0.000 0.000 0.220 194 G HA3 -0.282 3.678 3.960 0.000 0.000 0.220 194 G C 1.829 176.945 174.900 0.360 0.000 1.121 194 G CA 0.947 46.266 45.100 0.365 0.000 0.758 194 G HN 0.285 nan 8.290 nan 0.000 0.559 195 S N 0.047 115.981 115.700 0.389 0.000 2.387 195 S HA -0.148 4.322 4.470 0.000 0.000 0.230 195 S C 1.965 176.715 174.600 0.249 0.000 1.035 195 S CA 1.156 59.553 58.200 0.328 0.000 1.014 195 S CB -0.416 63.011 63.200 0.379 0.000 0.836 195 S HN 0.547 nan 8.310 nan 0.000 0.466 196 Y N 1.019 121.408 120.300 0.149 0.000 2.497 196 Y HA 0.089 4.639 4.550 0.000 0.000 0.292 196 Y C 1.356 177.341 175.900 0.142 0.000 1.137 196 Y CA 0.542 58.666 58.100 0.039 0.000 1.285 196 Y CB -0.316 38.006 38.460 -0.230 0.000 0.991 196 Y HN 0.199 nan 8.280 nan 0.000 0.556 197 L N -0.193 121.209 121.223 0.298 0.000 2.965 197 L HA 0.251 4.591 4.340 0.000 0.000 0.254 197 L C -0.317 176.693 176.870 0.233 0.000 1.220 197 L CA 0.199 55.173 54.840 0.223 0.000 1.023 197 L CB 0.092 42.267 42.059 0.193 0.000 1.355 197 L HN 0.062 nan 8.230 nan 0.000 0.545 198 E N 0.060 120.416 120.200 0.260 0.000 3.935 198 E HA 0.087 4.437 4.350 0.000 0.000 0.226 198 E C -0.705 176.018 176.600 0.205 0.000 1.220 198 E CA -0.068 56.474 56.400 0.237 0.000 1.226 198 E CB 0.729 30.567 29.700 0.230 0.000 1.237 198 E HN 0.011 nan 8.360 nan 0.000 0.417 199 D N 1.446 121.931 120.400 0.142 0.000 2.894 199 D HA 0.052 4.692 4.640 0.000 0.000 0.248 199 D C -0.420 175.895 176.300 0.026 0.000 1.291 199 D CA -0.247 53.735 54.000 -0.030 0.000 0.840 199 D CB 0.232 40.786 40.800 -0.410 0.000 1.044 199 D HN 0.084 nan 8.370 nan 0.000 0.484 200 Q N 0.818 120.708 119.800 0.149 0.000 2.332 200 Q HA 0.092 4.432 4.340 0.000 0.000 0.263 200 Q C 0.101 176.181 176.000 0.133 0.000 0.979 200 Q CA -0.014 55.913 55.803 0.206 0.000 0.885 200 Q CB 0.835 29.772 28.738 0.332 0.000 1.218 200 Q HN 0.182 nan 8.270 nan 0.000 0.405 201 D N 4.276 124.738 120.400 0.103 0.000 2.359 201 D HA 0.090 4.730 4.640 0.000 0.000 0.273 201 D C -0.661 175.747 176.300 0.180 0.000 1.362 201 D CA 0.365 54.399 54.000 0.057 0.000 1.010 201 D CB -0.103 40.724 40.800 0.046 0.000 1.090 201 D HN 0.566 nan 8.370 nan 0.000 0.521 202 M N 1.199 120.907 119.600 0.180 0.000 3.118 202 M HA 0.267 4.747 4.480 0.000 0.000 0.276 202 M C -1.662 174.804 176.300 0.276 0.000 1.099 202 M CA -1.135 54.289 55.300 0.206 0.000 0.802 202 M CB 0.945 33.683 32.600 0.230 0.000 1.618 202 M HN -0.004 nan 8.290 nan 0.000 0.535 203 W N 2.652 124.103 121.300 0.251 0.000 2.655 203 W HA 0.274 4.934 4.660 0.000 0.000 0.333 203 W C 0.238 176.788 176.519 0.053 0.000 1.382 203 W CA -0.519 56.927 57.345 0.169 0.000 1.398 203 W CB 0.414 29.920 29.460 0.076 0.000 1.481 203 W HN 0.259 nan 8.180 nan 0.000 0.526 204 R N 5.185 125.898 120.500 0.354 0.000 2.605 204 R HA 0.094 4.434 4.340 0.000 0.000 0.271 204 R C 0.378 176.729 176.300 0.085 0.000 1.418 204 R CA 0.373 56.603 56.100 0.217 0.000 1.102 204 R CB -0.728 29.746 30.300 0.290 0.000 1.131 204 R HN 0.570 nan 8.270 nan 0.000 0.554 205 M N -0.135 119.418 119.600 -0.079 0.000 2.277 205 M HA 0.299 4.779 4.480 0.000 0.000 0.210 205 M C 0.560 176.591 176.300 -0.448 0.000 0.951 205 M CA -0.321 54.808 55.300 -0.285 0.000 1.743 205 M CB 0.538 32.922 32.600 -0.361 0.000 1.103 205 M HN 0.534 nan 8.290 nan 0.000 0.856 206 S N -1.564 113.761 115.700 -0.625 0.000 2.710 206 S HA 0.578 5.048 4.470 0.000 0.000 0.274 206 S C -0.687 173.471 174.600 -0.736 0.000 1.029 206 S CA -0.120 57.618 58.200 -0.769 0.000 0.864 206 S CB 0.645 63.275 63.200 -0.949 0.000 1.103 206 S HN 1.587 nan 8.310 nan 0.000 0.460 207 G N 0.956 109.502 108.800 -0.425 0.000 2.447 207 G HA2 0.034 3.994 3.960 0.000 0.000 0.220 207 G HA3 0.034 3.994 3.960 0.000 0.000 0.220 207 G C -0.877 174.062 174.900 0.064 0.000 1.261 207 G CA -0.452 44.704 45.100 0.094 0.000 1.000 207 G HN 1.509 nan 8.290 nan 0.000 0.515 208 I N 2.192 122.687 120.570 -0.125 0.000 2.241 208 I HA 0.285 4.455 4.170 0.000 0.000 0.294 208 I C 1.198 177.236 176.117 -0.131 0.000 1.145 208 I CA -0.198 60.905 61.300 -0.327 0.000 1.261 208 I CB -0.228 37.336 38.000 -0.726 0.000 1.475 208 I HN 0.484 nan 8.210 nan 0.000 0.533 209 F N 3.162 122.981 119.950 -0.218 0.000 2.749 209 F HA 0.446 4.973 4.527 0.000 0.000 0.300 209 F C 0.774 176.499 175.800 -0.125 0.000 1.103 209 F CA -0.626 57.271 58.000 -0.171 0.000 1.342 209 F CB -0.202 38.701 39.000 -0.162 0.000 1.098 209 F HN 0.117 nan 8.300 nan 0.000 0.586 210 R N 0.943 121.199 120.500 -0.407 0.000 2.854 210 R HA 0.258 4.598 4.340 0.000 0.000 0.271 210 R C -0.600 175.583 176.300 -0.194 0.000 0.996 210 R CA -1.090 54.876 56.100 -0.222 0.000 0.961 210 R CB 1.091 31.236 30.300 -0.257 0.000 1.182 210 R HN 0.025 nan 8.270 nan 0.000 0.479 211 D N 0.263 120.601 120.400 -0.104 0.000 2.438 211 D HA -0.008 4.632 4.640 0.000 0.000 0.230 211 D C -0.607 175.576 176.300 -0.195 0.000 1.248 211 D CA 0.466 54.395 54.000 -0.120 0.000 0.883 211 D CB 0.369 41.138 40.800 -0.051 0.000 1.233 211 D HN -0.042 nan 8.370 nan 0.000 0.500 212 V N 0.489 120.279 119.914 -0.206 0.000 2.612 212 V HA 0.481 4.601 4.120 0.000 0.000 0.301 212 V C -0.601 175.371 176.094 -0.203 0.000 1.059 212 V CA -0.350 61.759 62.300 -0.318 0.000 0.886 212 V CB 1.744 33.299 31.823 -0.446 0.000 1.007 212 V HN 0.796 nan 8.190 nan 0.000 0.426 213 S N 5.729 121.311 115.700 -0.196 0.000 2.740 213 S HA 0.843 5.313 4.470 0.000 0.000 0.300 213 S C -1.089 173.486 174.600 -0.041 0.000 1.147 213 S CA -0.979 57.171 58.200 -0.084 0.000 0.871 213 S CB 2.178 65.362 63.200 -0.027 0.000 1.173 213 S HN 0.456 nan 8.310 nan 0.000 0.510 214 L N 1.428 122.688 121.223 0.061 0.000 2.381 214 L HA 0.640 4.980 4.340 0.000 0.000 0.274 214 L C -1.313 175.704 176.870 0.244 0.000 0.988 214 L CA -0.656 54.296 54.840 0.187 0.000 0.824 214 L CB 1.733 43.959 42.059 0.279 0.000 1.263 214 L HN 0.686 nan 8.230 nan 0.000 0.410 215 L N 2.200 123.524 121.223 0.168 0.000 2.365 215 L HA 0.583 4.923 4.340 0.000 0.000 0.273 215 L C -1.217 175.588 176.870 -0.108 0.000 1.000 215 L CA -0.445 54.428 54.840 0.056 0.000 0.819 215 L CB 1.753 43.848 42.059 0.060 0.000 1.284 215 L HN 0.519 nan 8.230 nan 0.000 0.418 216 H N 4.180 122.971 119.070 -0.464 0.000 2.673 216 H HA 0.518 5.074 4.556 0.000 0.000 0.293 216 H C -1.181 173.901 175.328 -0.408 0.000 1.065 216 H CA -0.318 55.297 56.048 -0.722 0.000 1.236 216 H CB 0.721 29.587 29.762 -1.492 0.000 1.389 216 H HN 0.640 nan 8.280 nan 0.000 0.481 217 K N 4.714 124.767 120.400 -0.579 0.000 2.238 217 K HA 0.427 4.747 4.320 0.000 0.000 0.239 217 K C -2.647 173.633 176.600 -0.533 0.000 0.987 217 K CA -2.105 53.901 56.287 -0.469 0.000 0.857 217 K CB 1.560 33.876 32.500 -0.307 0.000 1.154 217 K HN 0.402 nan 8.250 nan 0.000 0.439 218 P HA 0.043 nan 4.420 nan 0.000 0.274 218 P C 0.367 177.531 177.300 -0.227 0.000 1.246 218 P CA -0.181 62.749 63.100 -0.283 0.000 0.795 218 P CB 0.454 32.034 31.700 -0.200 0.000 1.006 219 T N -3.287 111.166 114.554 -0.168 0.000 2.951 219 T HA -0.014 4.336 4.350 0.000 0.000 0.268 219 T C 0.628 175.250 174.700 -0.130 0.000 1.073 219 T CA 1.166 63.189 62.100 -0.127 0.000 1.134 219 T CB -0.716 68.099 68.868 -0.088 0.000 0.884 219 T HN 0.282 nan 8.240 nan 0.000 0.479 220 T N 3.282 117.751 114.554 -0.142 0.000 2.821 220 T HA 0.481 4.831 4.350 0.000 0.000 0.307 220 T C -0.470 174.126 174.700 -0.174 0.000 1.034 220 T CA -0.833 61.172 62.100 -0.160 0.000 0.953 220 T CB 1.062 69.836 68.868 -0.156 0.000 0.968 220 T HN 0.582 nan 8.240 nan 0.000 0.462 221 Q N 2.960 122.647 119.800 -0.188 0.000 2.615 221 Q HA 0.556 4.896 4.340 0.000 0.000 0.298 221 Q C -1.164 174.717 176.000 -0.198 0.000 1.023 221 Q CA -1.109 54.570 55.803 -0.206 0.000 0.768 221 Q CB 1.325 29.912 28.738 -0.253 0.000 1.500 221 Q HN 0.463 nan 8.270 nan 0.000 0.441 222 I N 2.622 123.046 120.570 -0.243 0.000 2.517 222 I HA -0.021 4.149 4.170 0.000 0.000 0.285 222 I C 0.919 176.849 176.117 -0.312 0.000 1.106 222 I CA 0.287 61.449 61.300 -0.230 0.000 1.402 222 I CB 1.041 38.850 38.000 -0.318 0.000 1.399 222 I HN 0.839 nan 8.210 nan 0.000 0.535 223 S N 2.985 118.616 115.700 -0.116 0.000 2.523 223 S HA 0.214 4.684 4.470 0.000 0.000 0.217 223 S C 0.069 174.785 174.600 0.193 0.000 0.996 223 S CA -0.310 57.852 58.200 -0.064 0.000 0.921 223 S CB 0.278 63.455 63.200 -0.038 0.000 0.829 223 S HN 0.758 nan 8.310 nan 0.000 0.495 224 D N -0.392 120.195 120.400 0.312 0.000 2.951 224 D HA 0.382 5.022 4.640 0.000 0.000 0.262 224 D C -1.839 174.746 176.300 0.474 0.000 1.110 224 D CA -0.492 53.787 54.000 0.466 0.000 0.724 224 D CB 0.917 41.880 40.800 0.271 0.000 1.516 224 D HN 0.202 nan 8.370 nan 0.000 0.447 225 F N -0.434 119.626 119.950 0.183 0.000 2.703 225 F HA 0.676 5.203 4.527 0.000 0.000 0.308 225 F C -1.489 174.467 175.800 0.261 0.000 1.126 225 F CA -0.714 57.323 58.000 0.062 0.000 0.959 225 F CB 1.057 40.093 39.000 0.060 0.000 1.297 225 F HN 0.328 nan 8.300 nan 0.000 0.441 226 H N 0.238 119.309 119.070 0.001 0.000 2.821 226 H HA 0.855 5.411 4.556 0.000 0.000 0.373 226 H C -1.339 173.961 175.328 -0.048 0.000 1.165 226 H CA -1.604 54.377 56.048 -0.112 0.000 1.154 226 H CB 2.763 32.476 29.762 -0.081 0.000 1.765 226 H HN 0.618 nan 8.280 nan 0.000 0.549 227 V N 0.369 120.309 119.914 0.044 0.000 2.960 227 V HA 0.881 5.001 4.120 0.000 0.000 0.315 227 V C -0.328 175.741 176.094 -0.042 0.000 1.087 227 V CA -0.843 61.449 62.300 -0.013 0.000 0.982 227 V CB 1.619 33.404 31.823 -0.063 0.000 1.039 227 V HN 0.971 nan 8.190 nan 0.000 0.437 228 A N 1.460 124.234 122.820 -0.076 0.000 2.589 228 A HA 0.916 5.236 4.320 0.000 0.000 0.296 228 A C -0.529 176.980 177.584 -0.125 0.000 1.062 228 A CA -0.436 51.556 52.037 -0.074 0.000 0.686 228 A CB 2.058 21.035 19.000 -0.038 0.000 1.282 228 A HN 1.004 nan 8.150 nan 0.000 0.404 229 T N 0.033 114.525 114.554 -0.104 0.000 2.906 229 T HA 0.883 5.233 4.350 0.000 0.000 0.295 229 T C -0.581 173.990 174.700 -0.215 0.000 1.061 229 T CA -0.934 61.048 62.100 -0.197 0.000 1.000 229 T CB 1.700 70.459 68.868 -0.181 0.000 1.103 229 T HN 0.820 nan 8.240 nan 0.000 0.486 230 R N 0.656 120.870 120.500 -0.477 0.000 2.668 230 R HA 0.740 5.080 4.340 0.000 0.000 0.272 230 R C -1.664 174.222 176.300 -0.691 0.000 1.019 230 R CA -0.864 55.017 56.100 -0.365 0.000 0.894 230 R CB 1.594 31.810 30.300 -0.141 0.000 1.228 230 R HN 0.523 nan 8.270 nan 0.000 0.460 231 F N 0.063 119.984 119.950 -0.048 0.000 2.691 231 F HA 0.433 4.960 4.527 0.000 0.000 0.334 231 F C 0.448 176.116 175.800 -0.220 0.000 1.107 231 F CA -1.178 56.740 58.000 -0.136 0.000 0.991 231 F CB 0.713 39.553 39.000 -0.268 0.000 1.400 231 F HN 0.493 nan 8.300 nan 0.000 0.503 232 N N 0.198 118.870 118.700 -0.048 0.000 2.476 232 N HA 0.093 4.833 4.740 0.000 0.000 0.287 232 N C 0.478 175.846 175.510 -0.237 0.000 1.262 232 N CA -0.048 52.938 53.050 -0.106 0.000 0.980 232 N CB 0.007 38.460 38.487 -0.057 0.000 1.163 232 N HN 0.682 nan 8.380 nan 0.000 0.592 233 D N -0.123 120.186 120.400 -0.151 0.000 2.126 233 D HA -0.281 4.359 4.640 0.000 0.000 0.190 233 D C 0.660 176.855 176.300 -0.174 0.000 1.001 233 D CA 2.004 55.919 54.000 -0.142 0.000 0.841 233 D CB -0.715 40.056 40.800 -0.048 0.000 0.949 233 D HN 0.736 nan 8.370 nan 0.000 0.446 234 D N -1.331 119.031 120.400 -0.063 0.000 2.340 234 D HA -0.047 4.593 4.640 0.000 0.000 0.217 234 D C 0.385 176.862 176.300 0.295 0.000 1.081 234 D CA -0.466 53.609 54.000 0.124 0.000 0.842 234 D CB -0.722 40.142 40.800 0.107 0.000 0.934 234 D HN 0.335 nan 8.370 nan 0.000 0.511 235 F N -0.094 119.901 119.950 0.075 0.000 2.794 235 F HA -0.290 4.237 4.527 0.000 0.000 0.335 235 F C 1.699 177.565 175.800 0.110 0.000 0.653 235 F CA 0.735 58.800 58.000 0.109 0.000 1.266 235 F CB -2.563 36.409 39.000 -0.047 0.000 1.666 235 F HN 0.134 nan 8.300 nan 0.000 0.314 236 S N -0.402 115.396 115.700 0.164 0.000 2.555 236 S HA 0.104 4.574 4.470 0.000 0.000 0.230 236 S C 0.631 175.272 174.600 0.067 0.000 0.978 236 S CA 0.396 58.658 58.200 0.104 0.000 0.934 236 S CB 0.129 63.368 63.200 0.064 0.000 0.766 236 S HN 0.400 nan 8.310 nan 0.000 0.533 237 R N 0.200 120.745 120.500 0.075 0.000 2.566 237 R HA 0.746 5.086 4.340 0.000 0.000 0.271 237 R C -1.247 175.036 176.300 -0.029 0.000 1.071 237 R CA -0.224 55.879 56.100 0.004 0.000 0.915 237 R CB 1.569 31.855 30.300 -0.023 0.000 1.228 237 R HN 0.187 nan 8.270 nan 0.000 0.449 238 A N 1.382 124.122 122.820 -0.133 0.000 2.435 238 A HA 0.836 5.156 4.320 0.000 0.000 0.296 238 A C -1.077 176.397 177.584 -0.185 0.000 1.147 238 A CA -0.745 51.124 52.037 -0.279 0.000 0.775 238 A CB 2.182 20.935 19.000 -0.412 0.000 1.340 238 A HN 0.303 nan 8.150 nan 0.000 0.427 239 V N 1.565 121.352 119.914 -0.211 0.000 2.447 239 V HA 0.323 4.443 4.120 0.000 0.000 0.292 239 V C -1.174 174.851 176.094 -0.116 0.000 1.021 239 V CA -0.406 61.816 62.300 -0.131 0.000 0.850 239 V CB 1.281 33.027 31.823 -0.129 0.000 1.005 239 V HN 0.788 nan 8.190 nan 0.000 0.426 240 L N 5.106 126.293 121.223 -0.061 0.000 2.281 240 L HA 0.566 4.906 4.340 0.000 0.000 0.285 240 L C 0.009 176.824 176.870 -0.092 0.000 1.074 240 L CA 0.409 55.190 54.840 -0.099 0.000 0.817 240 L CB 0.884 42.895 42.059 -0.080 0.000 1.168 240 L HN 0.817 nan 8.230 nan 0.000 0.434 241 E N 4.650 124.792 120.200 -0.096 0.000 2.235 241 E HA 0.666 5.016 4.350 0.000 0.000 0.252 241 E C -1.647 174.921 176.600 -0.053 0.000 0.886 241 E CA -0.674 55.683 56.400 -0.072 0.000 0.767 241 E CB 1.283 30.942 29.700 -0.069 0.000 1.205 241 E HN 0.812 nan 8.360 nan 0.000 0.421 242 A N 4.563 127.354 122.820 -0.048 0.000 2.287 242 A HA 0.359 4.679 4.320 0.000 0.000 0.317 242 A C -0.560 176.998 177.584 -0.043 0.000 1.220 242 A CA -0.682 51.346 52.037 -0.016 0.000 0.835 242 A CB 1.106 20.116 19.000 0.016 0.000 1.180 242 A HN 0.729 nan 8.150 nan 0.000 0.500 243 E N 2.624 122.797 120.200 -0.045 0.000 2.134 243 E HA 0.522 4.872 4.350 0.000 0.000 0.278 243 E C -1.353 175.172 176.600 -0.125 0.000 0.959 243 E CA -0.465 55.858 56.400 -0.128 0.000 0.783 243 E CB 1.090 30.664 29.700 -0.211 0.000 1.095 243 E HN 0.394 nan 8.360 nan 0.000 0.399 244 V N 4.861 124.700 119.914 -0.125 0.000 2.409 244 V HA 0.269 4.389 4.120 0.000 0.000 0.291 244 V C 0.075 176.142 176.094 -0.045 0.000 1.020 244 V CA -0.826 61.433 62.300 -0.067 0.000 0.848 244 V CB 1.136 32.875 31.823 -0.141 0.000 0.990 244 V HN 0.772 nan 8.190 nan 0.000 0.430 245 Q N 3.863 123.680 119.800 0.028 0.000 2.239 245 Q HA 0.920 5.260 4.340 0.000 0.000 0.193 245 Q C -0.501 175.606 176.000 0.178 0.000 1.004 245 Q CA -0.851 55.007 55.803 0.090 0.000 1.040 245 Q CB 1.712 30.454 28.738 0.007 0.000 1.149 245 Q HN 0.859 nan 8.270 nan 0.000 0.535 246 M N -1.909 117.754 119.600 0.106 0.000 2.523 246 M HA 0.507 4.987 4.480 0.000 0.000 0.287 246 M C -2.022 174.213 176.300 -0.108 0.000 1.160 246 M CA -0.653 54.634 55.300 -0.022 0.000 0.902 246 M CB 1.336 33.864 32.600 -0.120 0.000 1.752 246 M HN 0.539 nan 8.290 nan 0.000 0.504 247 C N 1.743 120.962 119.300 -0.135 0.000 2.529 247 C HA 1.051 5.511 4.460 0.000 0.000 0.329 247 C C 0.891 175.785 174.990 -0.159 0.000 1.194 247 C CA 0.981 59.924 59.018 -0.125 0.000 1.779 247 C CB 1.051 28.732 27.740 -0.098 0.000 2.322 247 C HN 1.501 nan 8.230 nan 0.000 0.500 248 G N 2.254 110.971 108.800 -0.138 0.000 2.295 248 G HA2 -0.014 3.946 3.960 0.000 0.000 0.195 248 G HA3 -0.014 3.946 3.960 0.000 0.000 0.195 248 G C -1.028 173.787 174.900 -0.143 0.000 1.269 248 G CA -0.521 44.494 45.100 -0.141 0.000 1.170 248 G HN 0.738 nan 8.290 nan 0.000 0.511 249 E N 0.674 120.783 120.200 -0.152 0.000 2.103 249 E HA 0.510 4.860 4.350 0.000 0.000 0.254 249 E C 0.368 176.854 176.600 -0.190 0.000 0.940 249 E CA -0.479 55.841 56.400 -0.133 0.000 0.771 249 E CB 0.475 30.124 29.700 -0.084 0.000 1.153 249 E HN 0.448 nan 8.360 nan 0.000 0.428 250 L N 4.469 125.567 121.223 -0.207 0.000 2.584 250 L HA 0.068 4.408 4.340 0.000 0.000 0.272 250 L C 0.005 176.771 176.870 -0.174 0.000 1.195 250 L CA 0.933 55.620 54.840 -0.254 0.000 0.920 250 L CB 0.084 42.022 42.059 -0.201 0.000 1.173 250 L HN 0.471 nan 8.230 nan 0.000 0.489 251 R N 2.641 123.004 120.500 -0.230 0.000 2.605 251 R HA 0.068 4.408 4.340 0.000 0.000 0.291 251 R C 0.250 176.466 176.300 -0.140 0.000 1.226 251 R CA -0.665 55.359 56.100 -0.127 0.000 0.981 251 R CB 1.214 31.440 30.300 -0.123 0.000 1.215 251 R HN 0.738 nan 8.270 nan 0.000 0.428 252 D N 1.697 122.130 120.400 0.054 0.000 3.349 252 D HA -0.320 4.320 4.640 0.000 0.000 0.196 252 D C 1.134 177.517 176.300 0.138 0.000 1.174 252 D CA 2.029 56.088 54.000 0.099 0.000 0.955 252 D CB -0.470 40.395 40.800 0.108 0.000 0.858 252 D HN 0.700 nan 8.370 nan 0.000 0.496 253 Y N -0.634 119.668 120.300 0.003 0.000 2.490 253 Y HA 0.365 4.915 4.550 0.000 0.000 0.281 253 Y C 0.845 176.751 175.900 0.010 0.000 1.174 253 Y CA -1.069 57.038 58.100 0.011 0.000 1.295 253 Y CB -0.914 37.553 38.460 0.011 0.000 1.062 253 Y HN -0.076 nan 8.280 nan 0.000 0.522 254 L N 2.703 123.731 121.223 -0.326 0.000 2.455 254 L HA 0.236 4.576 4.340 0.000 0.000 0.272 254 L C 0.053 176.863 176.870 -0.099 0.000 1.174 254 L CA 0.313 55.000 54.840 -0.256 0.000 0.869 254 L CB 0.319 42.229 42.059 -0.249 0.000 1.130 254 L HN 0.134 nan 8.230 nan 0.000 0.474 255 R N 1.931 122.281 120.500 -0.249 0.000 2.867 255 R HA 0.779 5.119 4.340 0.000 0.000 0.268 255 R C -1.550 174.388 176.300 -0.604 0.000 1.014 255 R CA -0.693 55.170 56.100 -0.395 0.000 0.946 255 R CB 2.326 32.417 30.300 -0.348 0.000 1.208 255 R HN 0.255 nan 8.270 nan 0.000 0.477 256 V N 0.927 120.585 119.914 -0.427 0.000 2.610 256 V HA 0.420 4.540 4.120 0.000 0.000 0.298 256 V C -0.679 175.361 176.094 -0.089 0.000 1.067 256 V CA -0.682 61.447 62.300 -0.285 0.000 0.894 256 V CB 2.102 33.715 31.823 -0.350 0.000 1.015 256 V HN 0.758 nan 8.190 nan 0.000 0.432 257 T N 3.845 118.448 114.554 0.081 0.000 2.945 257 T HA 0.725 5.075 4.350 0.000 0.000 0.286 257 T C -0.689 174.010 174.700 -0.003 0.000 1.025 257 T CA -0.390 61.764 62.100 0.090 0.000 1.039 257 T CB 1.820 70.786 68.868 0.163 0.000 1.068 257 T HN 0.374 nan 8.240 nan 0.000 0.497 258 V N 3.183 123.081 119.914 -0.027 0.000 2.498 258 V HA 0.325 4.445 4.120 0.000 0.000 0.283 258 V C -0.362 175.697 176.094 -0.059 0.000 1.015 258 V CA -0.904 61.369 62.300 -0.045 0.000 0.867 258 V CB 1.551 33.336 31.823 -0.064 0.000 1.025 258 V HN 1.028 nan 8.190 nan 0.000 0.441 259 S N 5.166 120.844 115.700 -0.037 0.000 2.585 259 S HA 0.797 5.267 4.470 0.000 0.000 0.277 259 S C -0.617 173.892 174.600 -0.151 0.000 1.241 259 S CA -0.646 57.472 58.200 -0.137 0.000 1.041 259 S CB 2.297 65.455 63.200 -0.070 0.000 0.987 259 S HN 0.490 nan 8.310 nan 0.000 0.512 260 L N 2.511 123.537 121.223 -0.329 0.000 2.353 260 L HA 0.525 4.865 4.340 0.000 0.000 0.270 260 L C -1.841 174.878 176.870 -0.251 0.000 1.003 260 L CA -0.462 54.279 54.840 -0.165 0.000 0.862 260 L CB 0.319 42.316 42.059 -0.104 0.000 1.221 260 L HN 0.815 nan 8.230 nan 0.000 0.430 261 W N 4.666 126.057 121.300 0.152 0.000 2.316 261 W HA 0.448 5.108 4.660 0.000 0.000 0.308 261 W C 0.195 176.852 176.519 0.229 0.000 1.106 261 W CA -0.456 56.981 57.345 0.153 0.000 1.262 261 W CB 1.103 30.608 29.460 0.074 0.000 1.233 261 W HN 0.432 nan 8.180 nan 0.000 0.447 262 Q N 4.210 124.298 119.800 0.479 0.000 2.509 262 Q HA 0.424 4.764 4.340 0.000 0.000 0.236 262 Q C 0.905 177.033 176.000 0.214 0.000 1.073 262 Q CA 0.633 56.587 55.803 0.252 0.000 0.867 262 Q CB 0.359 29.178 28.738 0.136 0.000 1.181 262 Q HN 0.804 nan 8.270 nan 0.000 0.526 263 G N 3.280 112.177 108.800 0.161 0.000 2.595 263 G HA2 -0.372 3.588 3.960 0.000 0.000 0.297 263 G HA3 -0.372 3.588 3.960 0.000 0.000 0.297 263 G C 0.531 175.501 174.900 0.116 0.000 1.181 263 G CA 0.467 45.626 45.100 0.098 0.000 0.963 263 G HN 0.643 nan 8.290 nan 0.000 0.541 264 E N 1.017 121.289 120.200 0.120 0.000 2.460 264 E HA 0.180 4.530 4.350 0.000 0.000 0.200 264 E C 0.370 177.185 176.600 0.358 0.000 1.011 264 E CA 0.631 57.078 56.400 0.078 0.000 0.912 264 E CB 0.393 30.097 29.700 0.006 0.000 0.953 264 E HN 0.544 nan 8.360 nan 0.000 0.494 265 T N 0.848 115.651 114.554 0.414 0.000 2.817 265 T HA 0.167 4.517 4.350 0.000 0.000 0.293 265 T C -0.034 174.880 174.700 0.357 0.000 0.964 265 T CA -0.419 61.916 62.100 0.392 0.000 1.085 265 T CB 1.937 70.920 68.868 0.191 0.000 0.921 265 T HN -0.032 nan 8.240 nan 0.000 0.502 266 Q N 1.964 121.718 119.800 -0.078 0.000 2.267 266 Q HA 0.342 4.682 4.340 0.000 0.000 0.255 266 Q C 0.114 175.900 176.000 -0.357 0.000 0.923 266 Q CA -0.462 54.809 55.803 -0.887 0.000 0.925 266 Q CB 0.992 28.965 28.738 -1.274 0.000 1.195 266 Q HN 0.597 nan 8.270 nan 0.000 0.417 267 V N 2.193 121.905 119.914 -0.337 0.000 3.085 267 V HA 0.404 4.524 4.120 0.000 0.000 0.245 267 V C 0.010 175.993 176.094 -0.185 0.000 1.114 267 V CA 0.958 63.169 62.300 -0.149 0.000 1.108 267 V CB 0.652 32.455 31.823 -0.033 0.000 0.798 267 V HN 0.824 nan 8.190 nan 0.000 0.471 268 A N -1.141 121.514 122.820 -0.275 0.000 2.550 268 A HA 0.705 5.025 4.320 0.000 0.000 0.295 268 A C -0.766 176.674 177.584 -0.240 0.000 1.001 268 A CA 0.313 52.221 52.037 -0.215 0.000 0.660 268 A CB 1.303 20.215 19.000 -0.148 0.000 1.308 268 A HN 0.125 nan 8.150 nan 0.000 0.426 269 S N -0.980 114.619 115.700 -0.169 0.000 2.625 269 S HA 0.908 5.378 4.470 0.000 0.000 0.271 269 S C -0.485 174.061 174.600 -0.090 0.000 1.161 269 S CA 0.284 58.403 58.200 -0.135 0.000 0.820 269 S CB 1.667 64.789 63.200 -0.131 0.000 1.137 269 S HN 2.542 nan 8.310 nan 0.000 0.470 270 G N 0.721 109.479 108.800 -0.069 0.000 2.720 270 G HA2 0.621 4.581 3.960 0.000 0.000 0.295 270 G HA3 0.621 4.581 3.960 0.000 0.000 0.295 270 G C -1.634 173.243 174.900 -0.037 0.000 1.437 270 G CA -0.442 44.624 45.100 -0.056 0.000 0.886 270 G HN 0.792 nan 8.290 nan 0.000 0.509 271 T N -0.342 114.195 114.554 -0.027 0.000 2.921 271 T HA 0.843 5.193 4.350 0.000 0.000 0.297 271 T C -0.193 174.485 174.700 -0.037 0.000 1.013 271 T CA -0.015 62.083 62.100 -0.003 0.000 0.990 271 T CB 1.707 70.612 68.868 0.061 0.000 1.023 271 T HN 1.643 nan 8.240 nan 0.000 0.447 272 A N 3.608 126.381 122.820 -0.079 0.000 2.602 272 A HA 1.004 5.324 4.320 0.000 0.000 0.290 272 A C -3.156 174.352 177.584 -0.127 0.000 1.114 272 A CA -1.698 50.282 52.037 -0.095 0.000 0.683 272 A CB 1.281 20.207 19.000 -0.123 0.000 1.281 272 A HN 0.538 nan 8.150 nan 0.000 0.416 273 P HA 0.626 nan 4.420 nan 0.000 0.283 273 P C -0.402 176.853 177.300 -0.075 0.000 1.278 273 P CA -0.461 62.617 63.100 -0.037 0.000 0.834 273 P CB 0.471 32.178 31.700 0.011 0.000 1.150 274 F N 0.353 120.257 119.950 -0.077 0.000 2.228 274 F HA 0.376 4.903 4.527 0.000 0.000 0.280 274 F C 1.601 177.380 175.800 -0.035 0.000 1.235 274 F CA 1.664 59.625 58.000 -0.064 0.000 1.235 274 F CB -0.704 38.252 39.000 -0.073 0.000 1.506 274 F HN 0.594 nan 8.300 nan 0.000 0.502 275 G N 0.586 109.537 108.800 0.252 0.000 3.347 275 G HA2 0.129 4.090 3.960 0.000 0.000 0.597 275 G HA3 0.129 4.090 3.960 0.000 0.000 0.597 275 G C 0.038 174.977 174.900 0.065 0.000 0.831 275 G CA -0.380 44.806 45.100 0.142 0.000 0.778 275 G HN 1.048 nan 8.290 nan 0.000 0.459 276 G N 1.624 110.475 108.800 0.086 0.000 2.494 276 G HA2 0.664 4.624 3.960 0.000 0.000 0.270 276 G HA3 0.664 4.624 3.960 0.000 0.000 0.270 276 G C 0.404 175.324 174.900 0.034 0.000 1.423 276 G CA 0.169 45.300 45.100 0.051 0.000 1.055 276 G HN 0.985 nan 8.290 nan 0.000 0.536 277 E N -1.183 119.032 120.200 0.025 0.000 2.602 277 E HA 0.449 4.799 4.350 0.000 0.000 0.255 277 E C -0.554 176.050 176.600 0.006 0.000 1.268 277 E CA -0.681 55.725 56.400 0.009 0.000 1.007 277 E CB 0.542 30.241 29.700 -0.001 0.000 1.208 277 E HN 0.215 nan 8.360 nan 0.000 0.584 278 I N 1.350 121.915 120.570 -0.008 0.000 2.519 278 I HA 0.045 4.215 4.170 0.000 0.000 0.287 278 I C 0.900 177.007 176.117 -0.017 0.000 1.047 278 I CA 0.145 61.431 61.300 -0.023 0.000 1.381 278 I CB 0.771 38.755 38.000 -0.026 0.000 1.417 278 I HN 0.594 nan 8.210 nan 0.000 0.540 279 I N 1.378 121.929 120.570 -0.031 0.000 4.471 279 I HA 0.296 4.466 4.170 0.000 0.000 0.326 279 I C -0.566 175.535 176.117 -0.027 0.000 1.300 279 I CA 0.328 61.618 61.300 -0.016 0.000 1.237 279 I CB 0.375 38.384 38.000 0.015 0.000 1.195 279 I HN 0.632 nan 8.210 nan 0.000 0.427 280 D N 0.591 120.963 120.400 -0.046 0.000 2.895 280 D HA 0.201 4.841 4.640 0.000 0.000 0.320 280 D C 0.290 176.564 176.300 -0.042 0.000 1.249 280 D CA -0.334 53.641 54.000 -0.041 0.000 0.997 280 D CB 0.457 41.233 40.800 -0.040 0.000 1.430 280 D HN -0.145 nan 8.370 nan 0.000 0.558 281 E N -1.012 119.166 120.200 -0.037 0.000 2.409 281 E HA 0.048 4.398 4.350 0.000 0.000 0.198 281 E C 1.228 177.804 176.600 -0.041 0.000 1.024 281 E CA 0.704 57.084 56.400 -0.034 0.000 0.861 281 E CB 0.013 29.697 29.700 -0.026 0.000 0.788 281 E HN 0.216 nan 8.360 nan 0.000 0.521 282 R N -0.207 120.260 120.500 -0.055 0.000 2.359 282 R HA 0.287 4.627 4.340 0.000 0.000 0.231 282 R C 0.524 176.775 176.300 -0.081 0.000 0.913 282 R CA 0.492 56.554 56.100 -0.064 0.000 1.075 282 R CB 0.862 31.122 30.300 -0.067 0.000 1.087 282 R HN 0.166 nan 8.270 nan 0.000 0.515 283 G N -0.228 108.523 108.800 -0.082 0.000 2.384 283 G HA2 -0.068 3.892 3.960 0.000 0.000 0.204 283 G HA3 -0.068 3.892 3.960 0.000 0.000 0.204 283 G C -0.614 174.212 174.900 -0.122 0.000 1.237 283 G CA -0.707 44.340 45.100 -0.088 0.000 1.060 283 G HN 0.364 nan 8.290 nan 0.000 0.514 284 G N -1.874 106.851 108.800 -0.124 0.000 2.730 284 G HA2 0.694 4.654 3.960 0.000 0.000 0.289 284 G HA3 0.694 4.654 3.960 0.000 0.000 0.289 284 G C -1.304 173.490 174.900 -0.177 0.000 1.341 284 G CA -0.769 44.252 45.100 -0.131 0.000 0.932 284 G HN 0.754 nan 8.290 nan 0.000 0.481 285 Y N 0.591 120.897 120.300 0.009 0.000 2.402 285 Y HA 0.376 4.926 4.550 0.000 0.000 0.333 285 Y C 1.487 177.415 175.900 0.046 0.000 1.076 285 Y CA 0.490 58.604 58.100 0.023 0.000 1.299 285 Y CB 1.750 40.226 38.460 0.028 0.000 1.197 285 Y HN 0.579 nan 8.280 nan 0.000 0.517 286 A N 1.939 124.862 122.820 0.172 0.000 1.898 286 A HA -0.119 4.201 4.320 0.000 0.000 0.214 286 A C 1.196 178.911 177.584 0.219 0.000 1.183 286 A CA 1.239 53.356 52.037 0.133 0.000 0.622 286 A CB -0.376 18.652 19.000 0.047 0.000 0.824 286 A HN 0.806 nan 8.150 nan 0.000 0.444 287 D N -0.293 120.221 120.400 0.190 0.000 2.676 287 D HA 0.213 4.853 4.640 0.000 0.000 0.239 287 D C 0.358 176.952 176.300 0.490 0.000 1.213 287 D CA 0.011 54.096 54.000 0.143 0.000 0.835 287 D CB -0.193 40.611 40.800 0.006 0.000 1.009 287 D HN 0.335 nan 8.370 nan 0.000 0.479 288 R N -0.890 119.936 120.500 0.544 0.000 2.799 288 R HA 0.740 5.080 4.340 0.000 0.000 0.270 288 R C -1.766 174.504 176.300 -0.049 0.000 1.010 288 R CA -1.268 54.955 56.100 0.205 0.000 0.916 288 R CB 3.069 33.407 30.300 0.062 0.000 1.228 288 R HN -0.008 nan 8.270 nan 0.000 0.469 289 V N 0.972 120.752 119.914 -0.223 0.000 2.781 289 V HA 0.235 4.355 4.120 0.000 0.000 0.289 289 V C -1.422 174.542 176.094 -0.216 0.000 1.275 289 V CA -0.323 61.809 62.300 -0.280 0.000 0.936 289 V CB 2.177 33.698 31.823 -0.503 0.000 1.074 289 V HN 0.802 nan 8.190 nan 0.000 0.444 290 T N 7.960 122.430 114.554 -0.140 0.000 2.845 290 T HA 0.710 5.060 4.350 0.000 0.000 0.288 290 T C -0.203 174.431 174.700 -0.110 0.000 0.980 290 T CA -0.029 62.003 62.100 -0.114 0.000 1.071 290 T CB 1.259 70.079 68.868 -0.079 0.000 0.941 290 T HN 0.509 nan 8.240 nan 0.000 0.487 291 L N 2.689 123.851 121.223 -0.101 0.000 2.347 291 L HA 0.711 5.051 4.340 0.000 0.000 0.268 291 L C 0.389 177.213 176.870 -0.076 0.000 1.019 291 L CA -0.788 53.997 54.840 -0.091 0.000 0.806 291 L CB 1.014 43.016 42.059 -0.095 0.000 1.339 291 L HN 0.465 nan 8.230 nan 0.000 0.463 292 R N 1.280 121.736 120.500 -0.072 0.000 2.658 292 R HA 0.506 4.846 4.340 0.000 0.000 0.287 292 R C -1.878 174.381 176.300 -0.069 0.000 1.209 292 R CA -0.486 55.573 56.100 -0.069 0.000 1.046 292 R CB 1.068 31.330 30.300 -0.064 0.000 1.247 292 R HN 0.413 nan 8.270 nan 0.000 0.405 293 L N 1.940 123.122 121.223 -0.069 0.000 2.334 293 L HA 0.559 4.899 4.340 0.000 0.000 0.272 293 L C 0.101 176.932 176.870 -0.066 0.000 1.020 293 L CA -1.111 53.687 54.840 -0.069 0.000 0.812 293 L CB 1.559 43.573 42.059 -0.075 0.000 1.264 293 L HN 0.404 nan 8.230 nan 0.000 0.439 294 N N 1.294 119.951 118.700 -0.072 0.000 2.400 294 N HA 0.502 5.242 4.740 0.000 0.000 0.288 294 N C -1.244 174.210 175.510 -0.092 0.000 1.024 294 N CA -0.436 52.567 53.050 -0.077 0.000 0.894 294 N CB 2.959 41.403 38.487 -0.071 0.000 1.173 294 N HN 0.192 nan 8.380 nan 0.000 0.487 295 V N 1.376 121.219 119.914 -0.119 0.000 2.483 295 V HA 0.265 4.385 4.120 0.000 0.000 0.297 295 V C -0.027 175.962 176.094 -0.175 0.000 1.027 295 V CA -0.754 61.436 62.300 -0.183 0.000 0.855 295 V CB 2.027 33.662 31.823 -0.312 0.000 0.995 295 V HN 0.610 nan 8.190 nan 0.000 0.424 296 E N 3.841 123.966 120.200 -0.124 0.000 2.146 296 E HA 0.363 4.713 4.350 0.000 0.000 0.282 296 E C -0.437 176.125 176.600 -0.063 0.000 0.989 296 E CA -0.380 55.973 56.400 -0.077 0.000 0.799 296 E CB 0.520 30.191 29.700 -0.049 0.000 1.088 296 E HN 0.702 nan 8.360 nan 0.000 0.397 297 N N 2.557 121.236 118.700 -0.035 0.000 2.726 297 N HA -0.108 4.632 4.740 0.000 0.000 0.253 297 N C -2.607 172.883 175.510 -0.033 0.000 1.059 297 N CA 0.295 53.340 53.050 -0.008 0.000 0.701 297 N CB -1.187 37.302 38.487 0.003 0.000 0.899 297 N HN 0.396 nan 8.380 nan 0.000 0.548 298 P HA 0.139 nan 4.420 nan 0.000 0.272 298 P C -0.134 177.171 177.300 0.008 0.000 1.230 298 P CA 0.080 63.049 63.100 -0.218 0.000 0.788 298 P CB 0.795 32.086 31.700 -0.682 0.000 0.949 299 K N 1.330 121.839 120.400 0.183 0.000 2.253 299 K HA 0.377 4.697 4.320 0.000 0.000 0.277 299 K C 0.006 176.772 176.600 0.276 0.000 1.053 299 K CA -0.389 56.004 56.287 0.177 0.000 0.892 299 K CB 0.332 32.886 32.500 0.090 0.000 1.102 299 K HN 0.354 nan 8.250 nan 0.000 0.469 300 L N 1.863 123.177 121.223 0.152 0.000 2.439 300 L HA 0.400 4.740 4.340 0.000 0.000 0.261 300 L C -0.219 176.769 176.870 0.197 0.000 1.153 300 L CA -0.776 54.167 54.840 0.171 0.000 0.808 300 L CB 0.460 42.462 42.059 -0.095 0.000 1.126 300 L HN 0.624 nan 8.230 nan 0.000 0.460 301 W N 1.842 123.163 121.300 0.036 0.000 2.573 301 W HA 0.534 5.194 4.660 0.000 0.000 0.326 301 W C -0.310 176.183 176.519 -0.043 0.000 1.049 301 W CA -0.100 57.261 57.345 0.027 0.000 1.220 301 W CB 1.610 31.138 29.460 0.113 0.000 1.373 301 W HN 0.639 nan 8.180 nan 0.000 0.507 302 S N 2.857 118.169 115.700 -0.647 0.000 2.656 302 S HA 0.668 5.138 4.470 0.000 0.000 0.273 302 S C 0.066 174.079 174.600 -0.977 0.000 1.168 302 S CA -0.354 57.535 58.200 -0.519 0.000 0.817 302 S CB 1.303 64.446 63.200 -0.094 0.000 1.146 302 S HN 0.918 nan 8.310 nan 0.000 0.475 303 A N 0.173 122.602 122.820 -0.651 0.000 2.119 303 A HA 0.100 4.420 4.320 0.000 0.000 0.217 303 A C 1.602 178.893 177.584 -0.487 0.000 1.153 303 A CA 1.061 52.636 52.037 -0.770 0.000 0.692 303 A CB -0.814 17.606 19.000 -0.967 0.000 0.799 303 A HN 0.864 nan 8.150 nan 0.000 0.458 304 E N -0.501 119.517 120.200 -0.303 0.000 2.230 304 E HA 0.128 4.478 4.350 0.000 0.000 0.192 304 E C -0.180 176.279 176.600 -0.235 0.000 0.987 304 E CA 0.540 56.789 56.400 -0.251 0.000 0.841 304 E CB 0.125 29.739 29.700 -0.143 0.000 0.783 304 E HN 0.584 nan 8.360 nan 0.000 0.481 305 I N 1.430 121.841 120.570 -0.266 0.000 2.769 305 I HA 0.149 4.319 4.170 0.000 0.000 0.272 305 I C -2.676 173.243 176.117 -0.330 0.000 1.408 305 I CA -1.696 59.475 61.300 -0.216 0.000 0.925 305 I CB 1.641 39.563 38.000 -0.130 0.000 1.407 305 I HN -0.226 nan 8.210 nan 0.000 0.550 306 P HA 0.053 nan 4.420 nan 0.000 0.232 306 P C -0.092 177.192 177.300 -0.026 0.000 1.738 306 P CA -0.031 62.723 63.100 -0.576 0.000 0.948 306 P CB -0.404 31.077 31.700 -0.364 0.000 1.943 307 N N 1.304 120.019 118.700 0.026 0.000 2.357 307 N HA 0.051 4.791 4.740 0.000 0.000 0.257 307 N C -0.107 175.603 175.510 0.333 0.000 1.250 307 N CA 0.741 53.865 53.050 0.124 0.000 0.862 307 N CB 0.378 38.925 38.487 0.100 0.000 1.066 307 N HN 0.253 nan 8.380 nan 0.000 0.468 308 L N 2.470 123.800 121.223 0.178 0.000 2.409 308 L HA 0.427 4.767 4.340 0.000 0.000 0.262 308 L C -1.013 175.899 176.870 0.070 0.000 0.992 308 L CA -0.785 54.185 54.840 0.218 0.000 0.817 308 L CB 1.510 43.685 42.059 0.193 0.000 1.350 308 L HN 0.439 nan 8.230 nan 0.000 0.411 309 Y N 0.790 121.211 120.300 0.201 0.000 2.549 309 Y HA 0.579 5.129 4.550 0.000 0.000 0.339 309 Y C -0.101 175.889 175.900 0.151 0.000 1.053 309 Y CA -0.681 57.541 58.100 0.203 0.000 1.105 309 Y CB 2.170 40.798 38.460 0.281 0.000 1.258 309 Y HN 0.402 nan 8.280 nan 0.000 0.478 310 R N 1.174 121.893 120.500 0.366 0.000 2.494 310 R HA 0.829 5.169 4.340 0.000 0.000 0.305 310 R C -1.581 174.891 176.300 0.287 0.000 0.959 310 R CA -0.711 55.550 56.100 0.269 0.000 0.864 310 R CB 1.147 31.556 30.300 0.182 0.000 1.159 310 R HN 0.780 nan 8.270 nan 0.000 0.446 311 A N 4.124 127.061 122.820 0.194 0.000 2.304 311 A HA 0.512 4.832 4.320 0.000 0.000 0.314 311 A C -0.960 176.699 177.584 0.125 0.000 1.187 311 A CA -0.646 51.485 52.037 0.156 0.000 0.810 311 A CB 1.190 20.265 19.000 0.125 0.000 1.183 311 A HN 0.452 nan 8.150 nan 0.000 0.487 312 V N 2.356 122.348 119.914 0.131 0.000 2.417 312 V HA 0.439 4.559 4.120 0.000 0.000 0.291 312 V C -0.141 175.945 176.094 -0.012 0.000 1.024 312 V CA -0.642 61.690 62.300 0.053 0.000 0.861 312 V CB 1.346 33.221 31.823 0.088 0.000 0.985 312 V HN 0.527 nan 8.190 nan 0.000 0.436 313 V N 5.019 124.869 119.914 -0.107 0.000 2.220 313 V HA 0.271 4.391 4.120 0.000 0.000 0.265 313 V C 0.393 176.413 176.094 -0.124 0.000 1.078 313 V CA -0.498 61.692 62.300 -0.184 0.000 0.872 313 V CB 0.061 31.611 31.823 -0.454 0.000 1.121 313 V HN 0.995 nan 8.190 nan 0.000 0.460 314 E N 3.584 123.769 120.200 -0.025 0.000 2.343 314 E HA 0.440 4.790 4.350 0.000 0.000 0.269 314 E C -0.543 176.078 176.600 0.034 0.000 1.047 314 E CA -0.803 55.630 56.400 0.055 0.000 0.874 314 E CB 1.933 31.723 29.700 0.149 0.000 1.033 314 E HN 0.348 nan 8.360 nan 0.000 0.409 315 L N 3.900 125.135 121.223 0.020 0.000 2.457 315 L HA 0.182 4.522 4.340 0.000 0.000 0.252 315 L C -0.542 176.295 176.870 -0.057 0.000 1.132 315 L CA -0.248 54.547 54.840 -0.075 0.000 0.938 315 L CB -0.085 41.936 42.059 -0.063 0.000 1.246 315 L HN 0.632 nan 8.230 nan 0.000 0.476 316 H N 0.451 119.514 119.070 -0.013 0.000 3.330 316 H HA 0.778 5.334 4.556 0.000 0.000 0.229 316 H C -0.612 174.711 175.328 -0.008 0.000 1.635 316 H CA -0.142 55.903 56.048 -0.005 0.000 1.676 316 H CB 0.336 30.103 29.762 0.007 0.000 1.440 316 H HN 0.376 nan 8.280 nan 0.000 0.967 317 T N -3.956 110.734 114.554 0.227 0.000 2.942 317 T HA 0.560 4.910 4.350 0.000 0.000 0.289 317 T C 1.256 176.131 174.700 0.292 0.000 1.044 317 T CA -0.391 61.815 62.100 0.177 0.000 1.023 317 T CB 1.735 70.755 68.868 0.253 0.000 1.123 317 T HN 0.742 nan 8.240 nan 0.000 0.512 318 A N 1.117 124.079 122.820 0.236 0.000 1.978 318 A HA -0.130 4.190 4.320 0.000 0.000 0.220 318 A C 2.002 179.683 177.584 0.161 0.000 1.170 318 A CA 1.924 54.081 52.037 0.200 0.000 0.636 318 A CB -1.077 18.023 19.000 0.168 0.000 0.810 318 A HN 0.986 nan 8.150 nan 0.000 0.448 319 D N -1.680 118.811 120.400 0.152 0.000 2.097 319 D HA 0.087 4.727 4.640 0.000 0.000 0.197 319 D C 1.333 177.676 176.300 0.071 0.000 0.984 319 D CA 1.521 55.577 54.000 0.094 0.000 0.826 319 D CB -0.357 40.490 40.800 0.078 0.000 0.973 319 D HN 0.797 nan 8.370 nan 0.000 0.460 320 G N -0.352 108.501 108.800 0.089 0.000 2.789 320 G HA2 -0.136 3.824 3.960 0.000 0.000 0.218 320 G HA3 -0.136 3.824 3.960 0.000 0.000 0.218 320 G C -0.070 174.848 174.900 0.030 0.000 0.980 320 G CA -0.114 44.996 45.100 0.016 0.000 0.848 320 G HN 0.301 nan 8.290 nan 0.000 0.591 321 T N 1.661 116.270 114.554 0.092 0.000 2.737 321 T HA 0.489 4.839 4.350 0.000 0.000 0.296 321 T C 0.284 175.056 174.700 0.120 0.000 0.922 321 T CA -0.084 62.070 62.100 0.090 0.000 1.079 321 T CB 0.900 69.825 68.868 0.094 0.000 0.892 321 T HN 0.359 nan 8.240 nan 0.000 0.514 322 L N 5.588 126.863 121.223 0.086 0.000 2.360 322 L HA 0.290 4.630 4.340 0.000 0.000 0.276 322 L C 0.645 177.557 176.870 0.070 0.000 1.121 322 L CA 0.028 54.927 54.840 0.098 0.000 0.845 322 L CB 0.507 42.608 42.059 0.069 0.000 1.143 322 L HN 0.623 nan 8.230 nan 0.000 0.452 323 I N 3.115 123.719 120.570 0.056 0.000 2.867 323 I HA 0.242 4.412 4.170 0.000 0.000 0.265 323 I C 0.626 176.735 176.117 -0.014 0.000 1.162 323 I CA 0.624 61.928 61.300 0.007 0.000 1.471 323 I CB -0.148 37.835 38.000 -0.029 0.000 1.123 323 I HN 0.739 nan 8.210 nan 0.000 0.440 324 E N -1.000 119.202 120.200 0.003 0.000 2.429 324 E HA 0.667 5.017 4.350 0.000 0.000 0.277 324 E C -1.920 174.699 176.600 0.032 0.000 1.130 324 E CA -0.635 55.763 56.400 -0.003 0.000 0.875 324 E CB 1.153 30.807 29.700 -0.077 0.000 1.443 324 E HN -0.048 nan 8.360 nan 0.000 0.444 325 A N 1.456 124.319 122.820 0.072 0.000 2.594 325 A HA 0.746 5.066 4.320 0.000 0.000 0.295 325 A C -1.609 176.088 177.584 0.189 0.000 1.071 325 A CA -0.644 51.453 52.037 0.099 0.000 0.685 325 A CB 1.967 21.046 19.000 0.132 0.000 1.285 325 A HN 0.403 nan 8.150 nan 0.000 0.405 326 E N -0.579 119.675 120.200 0.091 0.000 2.390 326 E HA 0.745 5.095 4.350 0.000 0.000 0.277 326 E C -0.585 176.055 176.600 0.066 0.000 0.939 326 E CA -0.374 56.145 56.400 0.198 0.000 0.769 326 E CB 2.435 32.183 29.700 0.080 0.000 1.251 326 E HN 1.327 nan 8.360 nan 0.000 0.450 327 A N 0.236 123.211 122.820 0.259 0.000 2.529 327 A HA 0.902 5.222 4.320 0.000 0.000 0.296 327 A C -1.213 176.555 177.584 0.307 0.000 1.205 327 A CA -0.282 51.844 52.037 0.148 0.000 0.671 327 A CB 1.211 20.155 19.000 -0.093 0.000 1.301 327 A HN 1.018 nan 8.150 nan 0.000 0.450 328 C N -0.874 118.552 119.300 0.209 0.000 3.289 328 C HA 0.662 5.122 4.460 0.000 0.000 0.354 328 C C -1.741 173.325 174.990 0.126 0.000 1.201 328 C CA -1.058 58.068 59.018 0.180 0.000 1.199 328 C CB 0.732 28.577 27.740 0.175 0.000 1.511 328 C HN 0.841 nan 8.230 nan 0.000 0.506 329 D N 1.150 121.611 120.400 0.103 0.000 2.210 329 D HA 0.589 5.229 4.640 0.000 0.000 0.249 329 D C -0.409 175.922 176.300 0.052 0.000 1.062 329 D CA 0.043 54.105 54.000 0.104 0.000 0.891 329 D CB 2.193 43.059 40.800 0.111 0.000 1.186 329 D HN 0.547 nan 8.370 nan 0.000 0.432 330 V N 0.431 120.389 119.914 0.074 0.000 2.823 330 V HA 0.691 4.811 4.120 0.000 0.000 0.312 330 V C 0.391 176.489 176.094 0.007 0.000 1.072 330 V CA -0.840 61.439 62.300 -0.034 0.000 0.937 330 V CB 2.263 34.015 31.823 -0.118 0.000 1.013 330 V HN 0.689 nan 8.190 nan 0.000 0.430 331 G N 1.840 110.548 108.800 -0.154 0.000 2.609 331 G HA2 0.652 4.612 3.960 0.000 0.000 0.308 331 G HA3 0.652 4.612 3.960 0.000 0.000 0.308 331 G C -1.348 173.527 174.900 -0.041 0.000 1.369 331 G CA -0.386 44.670 45.100 -0.074 0.000 0.958 331 G HN 0.383 nan 8.290 nan 0.000 0.499 332 F N 2.419 122.513 119.950 0.239 0.000 2.413 332 F HA 0.601 5.128 4.527 0.000 0.000 0.359 332 F C 0.890 176.923 175.800 0.389 0.000 1.122 332 F CA -0.228 57.985 58.000 0.355 0.000 1.160 332 F CB 1.129 40.370 39.000 0.402 0.000 1.146 332 F HN 0.607 nan 8.300 nan 0.000 0.514 333 R N 1.075 121.897 120.500 0.537 0.000 2.709 333 R HA 0.432 4.772 4.340 0.000 0.000 0.270 333 R C -1.829 174.600 176.300 0.216 0.000 1.038 333 R CA -1.096 55.131 56.100 0.212 0.000 0.872 333 R CB 1.186 31.608 30.300 0.202 0.000 1.259 333 R HN 0.421 nan 8.270 nan 0.000 0.473 334 E N 1.258 121.490 120.200 0.053 0.000 2.187 334 E HA 0.508 4.858 4.350 0.000 0.000 0.268 334 E C -1.278 175.370 176.600 0.080 0.000 0.896 334 E CA -1.086 55.401 56.400 0.144 0.000 0.766 334 E CB 2.127 31.943 29.700 0.194 0.000 1.142 334 E HN 0.413 nan 8.360 nan 0.000 0.408 335 V N 5.607 125.570 119.914 0.081 0.000 2.304 335 V HA 0.442 4.562 4.120 0.000 0.000 0.278 335 V C -0.030 176.095 176.094 0.052 0.000 1.018 335 V CA -0.555 61.769 62.300 0.040 0.000 0.814 335 V CB 1.030 32.863 31.823 0.017 0.000 1.021 335 V HN 0.607 nan 8.190 nan 0.000 0.440 336 R N 3.742 124.273 120.500 0.051 0.000 2.854 336 R HA 0.739 5.079 4.340 0.000 0.000 0.271 336 R C -1.205 175.116 176.300 0.034 0.000 0.996 336 R CA -0.872 55.260 56.100 0.053 0.000 0.961 336 R CB 2.124 32.468 30.300 0.072 0.000 1.182 336 R HN 0.610 nan 8.270 nan 0.000 0.479 337 I N 2.581 123.172 120.570 0.034 0.000 2.428 337 I HA 0.203 4.373 4.170 0.000 0.000 0.279 337 I C -0.650 175.481 176.117 0.025 0.000 1.040 337 I CA -0.204 61.110 61.300 0.023 0.000 1.171 337 I CB 1.552 39.566 38.000 0.022 0.000 1.312 337 I HN 0.545 nan 8.210 nan 0.000 0.470 338 E N 6.974 127.187 120.200 0.022 0.000 2.145 338 E HA 0.231 4.581 4.350 0.000 0.000 0.262 338 E C -0.157 176.451 176.600 0.013 0.000 0.883 338 E CA -0.432 55.981 56.400 0.022 0.000 0.748 338 E CB 0.682 30.400 29.700 0.030 0.000 1.140 338 E HN 0.526 nan 8.360 nan 0.000 0.417 339 N N 3.678 122.384 118.700 0.011 0.000 2.783 339 N HA -0.190 4.550 4.740 0.000 0.000 0.247 339 N C 0.421 175.931 175.510 -0.001 0.000 1.089 339 N CA 1.708 54.762 53.050 0.006 0.000 0.690 339 N CB -1.286 37.205 38.487 0.006 0.000 0.991 339 N HN 1.001 nan 8.380 nan 0.000 0.552 340 G N -2.057 106.740 108.800 -0.004 0.000 2.241 340 G HA2 -0.272 3.688 3.960 0.000 0.000 0.244 340 G HA3 -0.272 3.688 3.960 0.000 0.000 0.244 340 G C -0.040 174.846 174.900 -0.023 0.000 0.998 340 G CA 0.400 45.492 45.100 -0.014 0.000 0.621 340 G HN 0.432 nan 8.290 nan 0.000 0.519 341 L N 0.763 121.975 121.223 -0.017 0.000 2.334 341 L HA 0.745 5.085 4.340 0.000 0.000 0.276 341 L C 0.015 176.872 176.870 -0.022 0.000 1.014 341 L CA -1.270 53.554 54.840 -0.026 0.000 0.815 341 L CB 1.743 43.790 42.059 -0.020 0.000 1.268 341 L HN 0.126 nan 8.230 nan 0.000 0.428 342 L N 4.641 125.841 121.223 -0.037 0.000 2.265 342 L HA 0.531 4.871 4.340 0.000 0.000 0.288 342 L C -0.671 176.180 176.870 -0.031 0.000 1.058 342 L CA 0.210 55.030 54.840 -0.034 0.000 0.809 342 L CB 0.523 42.549 42.059 -0.055 0.000 1.179 342 L HN 0.404 nan 8.230 nan 0.000 0.429 343 L N 4.906 126.125 121.223 -0.008 0.000 2.286 343 L HA 0.696 5.036 4.340 0.000 0.000 0.265 343 L C -1.004 175.871 176.870 0.007 0.000 1.012 343 L CA -1.004 53.841 54.840 0.007 0.000 0.818 343 L CB 1.794 43.876 42.059 0.039 0.000 1.337 343 L HN 0.558 nan 8.230 nan 0.000 0.438 344 L N 1.726 122.969 121.223 0.034 0.000 2.482 344 L HA 0.472 4.812 4.340 0.000 0.000 0.269 344 L C -0.880 176.002 176.870 0.020 0.000 0.967 344 L CA -0.115 54.742 54.840 0.028 0.000 0.851 344 L CB 1.184 43.267 42.059 0.040 0.000 1.242 344 L HN 0.681 nan 8.230 nan 0.000 0.404 345 N N 3.556 122.151 118.700 -0.175 0.000 2.721 345 N HA -0.209 4.531 4.740 0.000 0.000 0.249 345 N C 0.858 176.108 175.510 -0.432 0.000 1.072 345 N CA 1.478 54.145 53.050 -0.639 0.000 0.710 345 N CB -1.510 36.403 38.487 -0.957 0.000 0.993 345 N HN 1.179 nan 8.380 nan 0.000 0.547 346 G N -2.210 106.604 108.800 0.022 0.000 2.159 346 G HA2 -0.342 3.618 3.960 0.000 0.000 0.256 346 G HA3 -0.342 3.618 3.960 0.000 0.000 0.256 346 G C -0.239 174.717 174.900 0.093 0.000 0.977 346 G CA 0.730 45.915 45.100 0.141 0.000 0.652 346 G HN 0.416 nan 8.290 nan 0.000 0.531 347 K N 0.645 121.100 120.400 0.092 0.000 2.324 347 K HA 0.550 4.870 4.320 0.000 0.000 0.253 347 K C -2.824 173.780 176.600 0.007 0.000 0.932 347 K CA -2.319 53.993 56.287 0.041 0.000 0.799 347 K CB 2.710 35.203 32.500 -0.012 0.000 1.154 347 K HN 0.070 nan 8.250 nan 0.000 0.425 348 P HA 0.231 nan 4.420 nan 0.000 0.281 348 P C -0.064 177.198 177.300 -0.064 0.000 1.252 348 P CA -0.332 62.745 63.100 -0.039 0.000 0.778 348 P CB 0.710 32.385 31.700 -0.041 0.000 0.895 349 L N 3.208 124.389 121.223 -0.069 0.000 2.439 349 L HA 0.334 4.674 4.340 0.000 0.000 0.261 349 L C 0.409 177.227 176.870 -0.087 0.000 1.153 349 L CA -0.715 54.082 54.840 -0.071 0.000 0.808 349 L CB 0.578 42.575 42.059 -0.104 0.000 1.126 349 L HN 0.256 nan 8.230 nan 0.000 0.460 350 L N 3.718 124.910 121.223 -0.052 0.000 2.427 350 L HA 0.404 4.744 4.340 0.000 0.000 0.264 350 L C -0.490 176.351 176.870 -0.048 0.000 0.989 350 L CA -0.352 54.434 54.840 -0.090 0.000 0.865 350 L CB 0.956 43.000 42.059 -0.026 0.000 1.209 350 L HN 0.217 nan 8.230 nan 0.000 0.430 351 I N 4.635 125.100 120.570 -0.174 0.000 2.436 351 I HA 0.197 4.367 4.170 0.000 0.000 0.289 351 I C 0.786 176.860 176.117 -0.071 0.000 1.083 351 I CA 0.225 61.441 61.300 -0.139 0.000 1.372 351 I CB 0.362 38.163 38.000 -0.332 0.000 1.408 351 I HN 0.512 nan 8.210 nan 0.000 0.516 352 R N 4.708 125.253 120.500 0.075 0.000 3.171 352 R HA 0.494 4.834 4.340 0.000 0.000 0.241 352 R C 0.406 176.809 176.300 0.172 0.000 1.421 352 R CA -0.254 55.927 56.100 0.135 0.000 1.444 352 R CB 0.712 30.978 30.300 -0.057 0.000 1.247 352 R HN 0.835 nan 8.270 nan 0.000 0.636 353 G N -0.172 108.708 108.800 0.133 0.000 2.658 353 G HA2 0.550 4.510 3.960 0.000 0.000 0.292 353 G HA3 0.550 4.510 3.960 0.000 0.000 0.292 353 G C -1.617 173.597 174.900 0.524 0.000 1.320 353 G CA -0.423 44.834 45.100 0.262 0.000 0.933 353 G HN 0.186 nan 8.290 nan 0.000 0.476 354 V N 0.300 120.524 119.914 0.516 0.000 2.789 354 V HA 0.469 4.589 4.120 0.000 0.000 0.311 354 V C -0.250 176.072 176.094 0.380 0.000 1.073 354 V CA -1.125 61.413 62.300 0.397 0.000 0.921 354 V CB 1.802 33.624 31.823 -0.002 0.000 1.009 354 V HN 0.806 nan 8.190 nan 0.000 0.426 355 N N 4.322 123.229 118.700 0.346 0.000 2.354 355 N HA 0.442 5.182 4.740 0.000 0.000 0.246 355 N C -0.488 175.003 175.510 -0.031 0.000 1.285 355 N CA -0.204 52.971 53.050 0.209 0.000 0.925 355 N CB 0.781 39.539 38.487 0.452 0.000 1.174 355 N HN 0.707 nan 8.380 nan 0.000 0.478 356 R N 0.966 121.405 120.500 -0.102 0.000 2.764 356 R HA 0.197 4.537 4.340 0.000 0.000 0.250 356 R C -1.919 174.288 176.300 -0.156 0.000 1.122 356 R CA -0.552 55.473 56.100 -0.125 0.000 1.022 356 R CB 0.406 30.609 30.300 -0.162 0.000 1.266 356 R HN 0.616 nan 8.270 nan 0.000 0.454 357 H N 1.055 120.032 119.070 -0.155 0.000 2.595 357 H HA 0.319 4.875 4.556 0.000 0.000 0.346 357 H C -0.573 174.773 175.328 0.030 0.000 1.181 357 H CA -0.466 55.577 56.048 -0.008 0.000 1.242 357 H CB 1.588 31.378 29.762 0.047 0.000 1.652 357 H HN 0.428 nan 8.280 nan 0.000 0.548 358 E N 1.447 121.832 120.200 0.308 0.000 2.105 358 E HA 0.200 4.550 4.350 0.000 0.000 0.285 358 E C -0.881 175.854 176.600 0.224 0.000 1.055 358 E CA -0.050 56.443 56.400 0.154 0.000 0.843 358 E CB 0.540 30.305 29.700 0.110 0.000 1.067 358 E HN 0.502 nan 8.360 nan 0.000 0.398 359 H N 1.719 120.821 119.070 0.052 0.000 3.155 359 H HA 0.136 4.692 4.556 0.000 0.000 0.328 359 H C -1.803 173.552 175.328 0.045 0.000 1.059 359 H CA -0.579 55.501 56.048 0.053 0.000 1.378 359 H CB 0.915 30.711 29.762 0.056 0.000 1.998 359 H HN 0.453 nan 8.280 nan 0.000 0.480 360 H N 6.121 124.909 119.070 -0.470 0.000 2.495 360 H HA 0.228 4.784 4.556 0.000 0.000 0.348 360 H C -2.144 172.841 175.328 -0.571 0.000 1.113 360 H CA -2.468 53.372 56.048 -0.347 0.000 1.195 360 H CB 2.529 32.182 29.762 -0.181 0.000 1.521 360 H HN 0.529 nan 8.280 nan 0.000 0.509 361 P HA -0.102 nan 4.420 nan 0.000 0.217 361 P C 1.332 178.558 177.300 -0.122 0.000 1.150 361 P CA 0.998 63.983 63.100 -0.191 0.000 0.832 361 P CB 0.758 32.348 31.700 -0.183 0.000 0.787 362 L N -2.106 119.173 121.223 0.093 0.000 2.286 362 L HA 0.094 4.434 4.340 0.000 0.000 0.203 362 L C 2.528 179.261 176.870 -0.228 0.000 1.068 362 L CA 0.763 55.536 54.840 -0.112 0.000 0.811 362 L CB -0.805 41.094 42.059 -0.267 0.000 0.989 362 L HN -0.013 nan 8.230 nan 0.000 0.467 363 H N -0.665 118.273 119.070 -0.219 0.000 2.551 363 H HA 0.152 4.708 4.556 0.000 0.000 0.266 363 H C 1.555 176.723 175.328 -0.267 0.000 0.964 363 H CA 0.152 55.995 56.048 -0.342 0.000 1.180 363 H CB 0.378 29.811 29.762 -0.547 0.000 1.408 363 H HN 0.428 nan 8.280 nan 0.000 0.563 364 G N 1.249 109.942 108.800 -0.178 0.000 2.652 364 G HA2 -0.400 3.560 3.960 0.000 0.000 0.278 364 G HA3 -0.400 3.560 3.960 0.000 0.000 0.278 364 G C 0.764 175.502 174.900 -0.269 0.000 1.263 364 G CA 0.449 45.355 45.100 -0.323 0.000 0.966 364 G HN 0.436 nan 8.290 nan 0.000 0.544 365 Q N 0.127 119.780 119.800 -0.245 0.000 2.356 365 Q HA 0.436 4.776 4.340 0.000 0.000 0.205 365 Q C 0.933 176.879 176.000 -0.089 0.000 0.901 365 Q CA 0.190 55.861 55.803 -0.220 0.000 0.938 365 Q CB 0.936 29.408 28.738 -0.442 0.000 1.081 365 Q HN 0.465 nan 8.270 nan 0.000 0.517 366 V N 1.871 121.751 119.914 -0.056 0.000 2.740 366 V HA 0.052 4.172 4.120 0.000 0.000 0.303 366 V C 0.270 176.359 176.094 -0.008 0.000 1.054 366 V CA 0.493 62.796 62.300 0.004 0.000 1.106 366 V CB 0.690 32.463 31.823 -0.083 0.000 0.957 366 V HN 0.295 nan 8.190 nan 0.000 0.486 367 M N 4.720 124.295 119.600 -0.042 0.000 2.535 367 M HA 0.521 5.001 4.480 0.000 0.000 0.314 367 M C -0.728 175.455 176.300 -0.194 0.000 1.153 367 M CA -0.502 54.726 55.300 -0.119 0.000 0.924 367 M CB 2.189 34.664 32.600 -0.209 0.000 1.710 367 M HN 0.923 nan 8.290 nan 0.000 0.451 368 D N 0.135 120.469 120.400 -0.109 0.000 2.523 368 D HA 0.268 4.908 4.640 0.000 0.000 0.236 368 D C 0.134 176.423 176.300 -0.018 0.000 1.094 368 D CA -0.469 53.488 54.000 -0.071 0.000 0.942 368 D CB 2.049 42.844 40.800 -0.007 0.000 1.447 368 D HN 0.707 nan 8.370 nan 0.000 0.479 369 E N 0.162 120.381 120.200 0.031 0.000 2.013 369 E HA -0.287 4.063 4.350 0.000 0.000 0.202 369 E C 1.740 178.406 176.600 0.111 0.000 1.018 369 E CA 1.657 58.113 56.400 0.093 0.000 0.834 369 E CB 0.055 29.826 29.700 0.118 0.000 0.770 369 E HN 0.415 nan 8.360 nan 0.000 0.459 370 Q N -0.316 119.547 119.800 0.105 0.000 2.065 370 Q HA -0.252 4.088 4.340 0.000 0.000 0.213 370 Q C 2.339 178.406 176.000 0.112 0.000 1.012 370 Q CA 2.646 58.515 55.803 0.110 0.000 0.876 370 Q CB -0.719 28.083 28.738 0.107 0.000 0.954 370 Q HN 0.441 nan 8.270 nan 0.000 0.413 371 T N 1.387 116.009 114.554 0.114 0.000 2.529 371 T HA -0.239 4.111 4.350 0.000 0.000 0.261 371 T C 1.975 176.732 174.700 0.096 0.000 1.110 371 T CA 1.839 64.005 62.100 0.110 0.000 1.192 371 T CB -0.470 68.470 68.868 0.120 0.000 0.864 371 T HN 0.262 nan 8.240 nan 0.000 0.407 372 M N 0.560 120.207 119.600 0.078 0.000 2.204 372 M HA -0.197 4.283 4.480 0.000 0.000 0.255 372 M C 2.471 178.890 176.300 0.199 0.000 1.073 372 M CA 1.738 57.115 55.300 0.129 0.000 1.084 372 M CB -0.960 31.758 32.600 0.197 0.000 1.289 372 M HN 0.105 nan 8.290 nan 0.000 0.419 373 V N -0.202 119.811 119.914 0.165 0.000 2.568 373 V HA -0.297 3.823 4.120 0.000 0.000 0.253 373 V C 2.277 178.385 176.094 0.024 0.000 1.072 373 V CA 1.888 64.243 62.300 0.092 0.000 1.084 373 V CB -0.910 30.993 31.823 0.134 0.000 0.676 373 V HN 0.560 nan 8.190 nan 0.000 0.469 374 Q N -0.327 119.522 119.800 0.081 0.000 2.049 374 Q HA -0.200 4.140 4.340 0.000 0.000 0.198 374 Q C 2.050 178.126 176.000 0.126 0.000 0.971 374 Q CA 1.709 57.568 55.803 0.093 0.000 0.833 374 Q CB -0.057 28.745 28.738 0.106 0.000 0.896 374 Q HN 0.640 nan 8.270 nan 0.000 0.434 375 D N 0.586 121.075 120.400 0.148 0.000 2.117 375 D HA -0.160 4.480 4.640 0.000 0.000 0.197 375 D C 1.935 178.212 176.300 -0.037 0.000 0.987 375 D CA 0.941 55.045 54.000 0.173 0.000 0.829 375 D CB -0.299 40.558 40.800 0.095 0.000 0.961 375 D HN 0.302 nan 8.370 nan 0.000 0.460 376 I N 0.739 121.294 120.570 -0.025 0.000 2.052 376 I HA -0.324 3.846 4.170 0.000 0.000 0.235 376 I C 2.435 178.454 176.117 -0.163 0.000 1.046 376 I CA 1.038 62.240 61.300 -0.164 0.000 1.308 376 I CB -0.475 37.363 38.000 -0.270 0.000 1.031 376 I HN -0.041 nan 8.210 nan 0.000 0.395 377 L N 0.080 121.226 121.223 -0.129 0.000 2.034 377 L HA -0.294 4.046 4.340 0.000 0.000 0.217 377 L C 2.503 179.466 176.870 0.156 0.000 1.077 377 L CA 1.600 56.456 54.840 0.025 0.000 0.769 377 L CB -0.973 41.120 42.059 0.056 0.000 0.890 377 L HN 0.277 nan 8.230 nan 0.000 0.435 378 L N -1.107 120.236 121.223 0.201 0.000 1.955 378 L HA -0.270 4.070 4.340 0.000 0.000 0.213 378 L C 2.788 179.860 176.870 0.336 0.000 1.072 378 L CA 1.740 56.788 54.840 0.345 0.000 0.755 378 L CB -0.566 41.827 42.059 0.556 0.000 0.888 378 L HN 0.289 nan 8.230 nan 0.000 0.432 379 M N -0.384 119.282 119.600 0.111 0.000 2.113 379 M HA -0.316 4.164 4.480 0.000 0.000 0.255 379 M C 2.292 178.666 176.300 0.123 0.000 1.073 379 M CA 1.948 57.201 55.300 -0.077 0.000 1.091 379 M CB -0.893 31.392 32.600 -0.525 0.000 1.309 379 M HN 0.191 nan 8.290 nan 0.000 0.407 380 K N 0.250 120.622 120.400 -0.048 0.000 2.103 380 K HA -0.189 4.131 4.320 0.000 0.000 0.207 380 K C 2.040 178.586 176.600 -0.090 0.000 1.048 380 K CA 1.598 57.733 56.287 -0.253 0.000 0.930 380 K CB -0.272 31.852 32.500 -0.627 0.000 0.716 380 K HN 0.533 nan 8.250 nan 0.000 0.444 381 Q N 0.281 120.240 119.800 0.265 0.000 2.172 381 Q HA -0.027 4.313 4.340 0.000 0.000 0.200 381 Q C 0.933 177.249 176.000 0.527 0.000 0.964 381 Q CA 0.703 56.792 55.803 0.478 0.000 0.855 381 Q CB 0.137 29.186 28.738 0.517 0.000 0.918 381 Q HN 0.221 nan 8.270 nan 0.000 0.444 382 N N 1.280 120.249 118.700 0.448 0.000 2.410 382 N HA 0.015 4.755 4.740 0.000 0.000 0.231 382 N C -0.553 175.134 175.510 0.296 0.000 1.172 382 N CA 0.092 53.409 53.050 0.446 0.000 0.849 382 N CB 0.299 39.130 38.487 0.572 0.000 1.116 382 N HN 0.190 nan 8.380 nan 0.000 0.485 383 N N -0.125 118.705 118.700 0.216 0.000 2.713 383 N HA -0.212 4.528 4.740 0.000 0.000 0.251 383 N C -0.799 174.628 175.510 -0.140 0.000 1.117 383 N CA 0.889 53.956 53.050 0.028 0.000 0.770 383 N CB -1.568 36.815 38.487 -0.173 0.000 1.137 383 N HN 0.270 nan 8.380 nan 0.000 0.566 384 F N 0.396 120.361 119.950 0.024 0.000 2.375 384 F HA 0.289 4.816 4.527 0.000 0.000 0.333 384 F C 1.857 177.641 175.800 -0.027 0.000 1.104 384 F CA -0.348 57.652 58.000 0.000 0.000 1.149 384 F CB 0.691 39.683 39.000 -0.013 0.000 1.190 384 F HN -0.103 nan 8.300 nan 0.000 0.533 385 N N 0.198 119.006 118.700 0.181 0.000 2.510 385 N HA 0.414 5.154 4.740 0.000 0.000 0.186 385 N C -0.617 174.877 175.510 -0.028 0.000 1.051 385 N CA 0.038 53.109 53.050 0.036 0.000 0.877 385 N CB 0.545 39.123 38.487 0.151 0.000 1.183 385 N HN 0.586 nan 8.380 nan 0.000 0.443 386 A N 0.547 123.457 122.820 0.149 0.000 2.572 386 A HA 0.616 4.936 4.320 0.000 0.000 0.295 386 A C -1.702 176.097 177.584 0.358 0.000 1.072 386 A CA -0.414 51.777 52.037 0.256 0.000 0.691 386 A CB 1.807 21.020 19.000 0.355 0.000 1.291 386 A HN -0.065 nan 8.150 nan 0.000 0.404 387 V N 1.257 121.390 119.914 0.365 0.000 2.876 387 V HA 0.840 4.960 4.120 0.000 0.000 0.312 387 V C -0.427 175.798 176.094 0.219 0.000 1.085 387 V CA -0.802 61.689 62.300 0.318 0.000 0.945 387 V CB 1.835 33.769 31.823 0.184 0.000 1.017 387 V HN 1.141 nan 8.190 nan 0.000 0.428 388 R N 4.575 125.093 120.500 0.029 0.000 2.460 388 R HA 0.459 4.799 4.340 0.000 0.000 0.303 388 R C -0.560 175.690 176.300 -0.083 0.000 0.968 388 R CA -0.475 55.470 56.100 -0.259 0.000 0.889 388 R CB 1.239 31.113 30.300 -0.711 0.000 1.123 388 R HN 0.811 nan 8.270 nan 0.000 0.455 389 C N 4.029 123.285 119.300 -0.072 0.000 3.297 389 C HA 0.076 4.536 4.460 0.000 0.000 0.533 389 C C 0.665 175.507 174.990 -0.246 0.000 1.228 389 C CA -0.344 58.609 59.018 -0.109 0.000 1.402 389 C CB -2.270 25.476 27.740 0.010 0.000 1.728 389 C HN 0.753 nan 8.230 nan 0.000 0.637 390 S N 1.015 116.608 115.700 -0.177 0.000 2.752 390 S HA -0.008 4.462 4.470 0.000 0.000 0.329 390 S C -0.206 173.830 174.600 -0.940 0.000 1.204 390 S CA 0.616 58.809 58.200 -0.012 0.000 1.252 390 S CB -0.250 63.009 63.200 0.099 0.000 1.053 390 S HN 0.699 nan 8.310 nan 0.000 0.533 391 H N 3.458 121.810 119.070 -1.196 0.000 2.597 391 H HA 0.370 4.926 4.556 0.000 0.000 0.225 391 H C -1.059 174.073 175.328 -0.326 0.000 1.422 391 H CA -0.724 55.034 56.048 -0.483 0.000 1.335 391 H CB -0.296 29.395 29.762 -0.119 0.000 1.783 391 H HN 0.832 nan 8.280 nan 0.000 0.513 392 Y N -2.824 117.580 120.300 0.174 0.000 2.661 392 Y HA 0.420 4.970 4.550 0.000 0.000 0.339 392 Y C -3.290 172.713 175.900 0.171 0.000 1.186 392 Y CA -3.054 55.146 58.100 0.166 0.000 1.137 392 Y CB 0.007 38.562 38.460 0.158 0.000 1.354 392 Y HN -0.070 nan 8.280 nan 0.000 0.469 393 P HA 0.059 nan 4.420 nan 0.000 0.267 393 P C -0.686 176.902 177.300 0.480 0.000 1.201 393 P CA 0.314 63.663 63.100 0.416 0.000 0.775 393 P CB 0.651 32.535 31.700 0.308 0.000 0.854 394 N N -0.028 118.982 118.700 0.516 0.000 2.443 394 N HA 0.109 4.849 4.740 0.000 0.000 0.293 394 N C 0.009 175.794 175.510 0.458 0.000 1.159 394 N CA -0.625 52.649 53.050 0.373 0.000 0.904 394 N CB 0.604 39.131 38.487 0.067 0.000 1.214 394 N HN 0.597 nan 8.380 nan 0.000 0.513 395 H N 2.195 121.388 119.070 0.205 0.000 3.140 395 H HA -0.042 4.514 4.556 0.000 0.000 0.316 395 H C -1.648 173.888 175.328 0.348 0.000 0.986 395 H CA -0.251 55.917 56.048 0.200 0.000 1.397 395 H CB 0.945 30.773 29.762 0.111 0.000 1.377 395 H HN 0.442 nan 8.280 nan 0.000 0.585 396 P HA -0.262 nan 4.420 nan 0.000 0.216 396 P C 1.945 179.493 177.300 0.414 0.000 1.167 396 P CA 0.932 64.165 63.100 0.221 0.000 0.914 396 P CB 0.068 31.727 31.700 -0.068 0.000 0.793 397 L N -1.200 120.311 121.223 0.480 0.000 2.103 397 L HA -0.193 4.147 4.340 0.000 0.000 0.215 397 L C 2.286 179.416 176.870 0.434 0.000 1.080 397 L CA 1.601 56.741 54.840 0.501 0.000 0.764 397 L CB -1.588 40.802 42.059 0.552 0.000 0.890 397 L HN 0.145 nan 8.230 nan 0.000 0.435 398 W N -0.467 120.938 121.300 0.174 0.000 2.285 398 W HA -0.420 4.240 4.660 0.000 0.000 0.333 398 W C 2.447 178.901 176.519 -0.108 0.000 1.290 398 W CA 2.064 59.367 57.345 -0.071 0.000 1.234 398 W CB -0.619 28.631 29.460 -0.350 0.000 1.154 398 W HN 0.257 nan 8.180 nan 0.000 0.463 399 Y N 0.690 120.905 120.300 -0.142 0.000 2.139 399 Y HA -0.322 4.228 4.550 0.000 0.000 0.282 399 Y C 2.750 178.368 175.900 -0.470 0.000 1.179 399 Y CA 2.310 60.085 58.100 -0.542 0.000 1.161 399 Y CB -1.551 36.334 38.460 -0.959 0.000 0.970 399 Y HN -0.108 nan 8.280 nan 0.000 0.511 400 T N 0.571 115.082 114.554 -0.071 0.000 2.833 400 T HA -0.141 4.209 4.350 0.000 0.000 0.269 400 T C 1.973 176.703 174.700 0.050 0.000 1.054 400 T CA 1.298 63.442 62.100 0.074 0.000 1.135 400 T CB -0.489 68.494 68.868 0.192 0.000 0.869 400 T HN 0.244 nan 8.240 nan 0.000 0.466 401 L N 0.511 121.747 121.223 0.021 0.000 2.005 401 L HA -0.081 4.259 4.340 0.000 0.000 0.207 401 L C 2.865 179.723 176.870 -0.019 0.000 1.072 401 L CA 1.061 55.941 54.840 0.066 0.000 0.744 401 L CB -0.717 41.428 42.059 0.144 0.000 0.895 401 L HN 0.344 nan 8.230 nan 0.000 0.433 402 C N -0.320 118.789 119.300 -0.319 0.000 2.419 402 C HA -0.130 4.330 4.460 0.000 0.000 0.281 402 C C 2.305 177.329 174.990 0.057 0.000 1.336 402 C CA 0.100 58.964 59.018 -0.255 0.000 1.770 402 C CB -1.002 26.468 27.740 -0.450 0.000 1.929 402 C HN 0.536 nan 8.230 nan 0.000 0.509 403 D N 0.859 121.299 120.400 0.068 0.000 2.117 403 D HA -0.090 4.550 4.640 0.000 0.000 0.197 403 D C 2.380 178.870 176.300 0.316 0.000 0.987 403 D CA 1.244 55.377 54.000 0.222 0.000 0.829 403 D CB -0.312 40.556 40.800 0.112 0.000 0.961 403 D HN 0.483 nan 8.370 nan 0.000 0.460 404 R N -0.875 119.691 120.500 0.111 0.000 2.075 404 R HA -0.002 4.338 4.340 0.000 0.000 0.226 404 R C 2.204 178.429 176.300 -0.125 0.000 1.114 404 R CA 0.679 56.769 56.100 -0.016 0.000 0.972 404 R CB -0.328 29.890 30.300 -0.137 0.000 0.869 404 R HN 0.227 nan 8.270 nan 0.000 0.437 405 Y N -0.438 119.878 120.300 0.028 0.000 2.243 405 Y HA 0.185 4.735 4.550 0.000 0.000 0.293 405 Y C 1.165 176.981 175.900 -0.141 0.000 1.124 405 Y CA 1.195 59.278 58.100 -0.029 0.000 1.159 405 Y CB 0.173 38.597 38.460 -0.061 0.000 1.008 405 Y HN 0.247 nan 8.280 nan 0.000 0.527 406 G N 0.448 109.241 108.800 -0.011 0.000 3.002 406 G HA2 -0.070 3.890 3.960 0.000 0.000 0.224 406 G HA3 -0.070 3.890 3.960 0.000 0.000 0.224 406 G C -1.211 173.498 174.900 -0.318 0.000 1.013 406 G CA -0.600 44.351 45.100 -0.249 0.000 1.200 406 G HN 0.157 nan 8.290 nan 0.000 0.589 407 L N 1.262 122.367 121.223 -0.197 0.000 2.438 407 L HA 0.489 4.829 4.340 0.000 0.000 0.270 407 L C -0.263 176.562 176.870 -0.075 0.000 0.972 407 L CA -1.427 53.260 54.840 -0.256 0.000 0.831 407 L CB 1.634 43.557 42.059 -0.228 0.000 1.273 407 L HN 0.277 nan 8.230 nan 0.000 0.405 408 Y N 2.509 122.885 120.300 0.127 0.000 2.526 408 Y HA 0.293 4.843 4.550 0.000 0.000 0.330 408 Y C 0.406 176.387 175.900 0.135 0.000 1.156 408 Y CA -0.517 57.693 58.100 0.184 0.000 1.419 408 Y CB 0.452 39.022 38.460 0.182 0.000 1.250 408 Y HN 0.144 nan 8.280 nan 0.000 0.540 409 V N 3.724 123.781 119.914 0.239 0.000 2.815 409 V HA 0.502 4.622 4.120 0.000 0.000 0.314 409 V C -0.499 175.638 176.094 0.071 0.000 1.064 409 V CA -1.138 61.237 62.300 0.124 0.000 0.952 409 V CB 2.235 34.076 31.823 0.029 0.000 1.020 409 V HN 0.423 nan 8.190 nan 0.000 0.439 410 V N 2.296 122.216 119.914 0.010 0.000 2.334 410 V HA 0.342 4.462 4.120 0.000 0.000 0.281 410 V C -0.480 175.593 176.094 -0.035 0.000 1.016 410 V CA -0.397 61.857 62.300 -0.076 0.000 0.832 410 V CB 1.452 33.150 31.823 -0.208 0.000 0.999 410 V HN 0.895 nan 8.190 nan 0.000 0.439 411 D N 4.150 124.535 120.400 -0.025 0.000 2.308 411 D HA 0.292 4.932 4.640 0.000 0.000 0.251 411 D C -0.191 176.217 176.300 0.180 0.000 1.127 411 D CA 0.127 54.206 54.000 0.132 0.000 0.876 411 D CB 1.283 42.166 40.800 0.139 0.000 1.176 411 D HN 0.671 nan 8.370 nan 0.000 0.446 412 E N 1.428 121.738 120.200 0.184 0.000 2.238 412 E HA 0.599 4.949 4.350 0.000 0.000 0.267 412 E C -1.193 175.524 176.600 0.195 0.000 0.887 412 E CA -1.142 55.353 56.400 0.159 0.000 0.769 412 E CB 1.472 31.196 29.700 0.041 0.000 1.187 412 E HN 0.436 nan 8.360 nan 0.000 0.416 413 A N 3.679 126.610 122.820 0.186 0.000 2.491 413 A HA 0.011 4.331 4.320 0.000 0.000 0.261 413 A C 0.376 178.071 177.584 0.184 0.000 1.101 413 A CA -0.118 52.021 52.037 0.170 0.000 0.772 413 A CB -0.244 18.832 19.000 0.126 0.000 1.043 413 A HN 0.637 nan 8.150 nan 0.000 0.501 414 N N 3.075 121.902 118.700 0.213 0.000 2.991 414 N HA 0.044 4.784 4.740 0.000 0.000 0.324 414 N C -0.589 175.047 175.510 0.211 0.000 1.208 414 N CA 0.461 53.666 53.050 0.258 0.000 1.190 414 N CB -0.830 37.822 38.487 0.277 0.000 1.443 414 N HN 0.515 nan 8.380 nan 0.000 0.542 415 I N 0.470 121.155 120.570 0.191 0.000 2.533 415 I HA 0.350 4.520 4.170 0.000 0.000 0.290 415 I C -0.453 175.770 176.117 0.176 0.000 1.056 415 I CA -0.859 60.541 61.300 0.166 0.000 1.057 415 I CB 1.991 40.064 38.000 0.122 0.000 1.240 415 I HN 0.254 nan 8.210 nan 0.000 0.423 416 E N 3.568 123.871 120.200 0.173 0.000 2.343 416 E HA 0.239 4.589 4.350 0.000 0.000 0.288 416 E C -0.569 176.110 176.600 0.132 0.000 0.907 416 E CA -0.432 56.061 56.400 0.154 0.000 0.792 416 E CB 1.710 31.524 29.700 0.189 0.000 1.275 416 E HN 0.695 nan 8.360 nan 0.000 0.402 417 T N 1.027 115.641 114.554 0.100 0.000 3.200 417 T HA 0.128 4.478 4.350 0.000 0.000 0.284 417 T C 1.105 175.850 174.700 0.075 0.000 1.009 417 T CA 0.240 62.413 62.100 0.121 0.000 0.907 417 T CB -0.314 68.604 68.868 0.084 0.000 1.120 417 T HN 0.695 nan 8.240 nan 0.000 0.534 418 H N 1.162 120.177 119.070 -0.092 0.000 2.346 418 H HA -0.210 4.346 4.556 0.000 0.000 0.285 418 H C 2.284 177.489 175.328 -0.205 0.000 1.123 418 H CA 1.889 57.842 56.048 -0.160 0.000 1.182 418 H CB -0.389 29.247 29.762 -0.210 0.000 1.351 418 H HN 0.561 nan 8.280 nan 0.000 0.475 419 G N 0.246 108.921 108.800 -0.208 0.000 2.509 419 G HA2 -0.095 3.865 3.960 0.000 0.000 0.218 419 G HA3 -0.095 3.865 3.960 0.000 0.000 0.218 419 G C 0.570 175.563 174.900 0.155 0.000 1.124 419 G CA 0.192 45.160 45.100 -0.221 0.000 0.776 419 G HN 0.175 nan 8.290 nan 0.000 0.547 420 M N 0.213 119.960 119.600 0.245 0.000 2.198 420 M HA 0.322 4.802 4.480 0.000 0.000 0.315 420 M C -0.508 175.844 176.300 0.087 0.000 1.134 420 M CA -0.010 55.405 55.300 0.191 0.000 1.171 420 M CB 1.402 34.081 32.600 0.131 0.000 1.413 420 M HN -0.204 nan 8.290 nan 0.000 0.467 421 V N 2.994 122.942 119.914 0.056 0.000 2.462 421 V HA 0.318 4.438 4.120 0.000 0.000 0.288 421 V C -2.114 173.990 176.094 0.017 0.000 1.020 421 V CA -1.305 61.011 62.300 0.027 0.000 0.857 421 V CB 1.824 33.658 31.823 0.019 0.000 1.013 421 V HN 0.712 nan 8.190 nan 0.000 0.431 422 P HA 0.292 nan 4.420 nan 0.000 0.275 422 P C 1.017 178.328 177.300 0.018 0.000 1.266 422 P CA -0.537 62.569 63.100 0.011 0.000 0.793 422 P CB 0.660 32.367 31.700 0.011 0.000 1.074 423 M N 0.304 119.914 119.600 0.017 0.000 2.539 423 M HA -0.150 4.330 4.480 0.000 0.000 0.261 423 M C 1.432 177.754 176.300 0.036 0.000 1.069 423 M CA 1.492 56.806 55.300 0.022 0.000 1.081 423 M CB -0.464 32.125 32.600 -0.018 0.000 1.412 423 M HN 0.350 nan 8.290 nan 0.000 0.482 424 N N -0.119 118.601 118.700 0.033 0.000 2.171 424 N HA -0.195 4.545 4.740 0.000 0.000 0.184 424 N C 1.622 177.123 175.510 -0.014 0.000 1.021 424 N CA 0.722 53.788 53.050 0.027 0.000 0.854 424 N CB 0.043 38.545 38.487 0.024 0.000 0.994 424 N HN 0.248 nan 8.380 nan 0.000 0.426 425 R N 0.873 121.360 120.500 -0.021 0.000 2.270 425 R HA -0.220 4.120 4.340 0.000 0.000 0.260 425 R C 1.696 177.934 176.300 -0.103 0.000 1.127 425 R CA 1.698 57.770 56.100 -0.046 0.000 0.969 425 R CB -0.314 29.962 30.300 -0.041 0.000 0.918 425 R HN 0.280 nan 8.270 nan 0.000 0.455 426 L N -1.438 119.672 121.223 -0.188 0.000 2.357 426 L HA 0.054 4.394 4.340 0.000 0.000 0.211 426 L C 2.286 179.052 176.870 -0.174 0.000 1.075 426 L CA 1.180 55.807 54.840 -0.356 0.000 0.830 426 L CB -0.422 41.201 42.059 -0.728 0.000 0.996 426 L HN 0.439 nan 8.230 nan 0.000 0.467 427 T N -4.187 110.285 114.554 -0.137 0.000 2.995 427 T HA -0.151 4.199 4.350 0.000 0.000 0.269 427 T C 1.242 175.850 174.700 -0.153 0.000 1.091 427 T CA 1.087 63.073 62.100 -0.190 0.000 1.128 427 T CB -0.182 68.549 68.868 -0.229 0.000 0.891 427 T HN 0.074 nan 8.240 nan 0.000 0.492 428 D N 1.146 121.496 120.400 -0.082 0.000 2.339 428 D HA 0.104 4.744 4.640 0.000 0.000 0.217 428 D C -0.154 176.134 176.300 -0.019 0.000 1.050 428 D CA -0.102 53.860 54.000 -0.064 0.000 0.856 428 D CB 0.005 40.777 40.800 -0.047 0.000 0.922 428 D HN 0.322 nan 8.370 nan 0.000 0.518 429 D N -0.600 119.813 120.400 0.022 0.000 2.193 429 D HA 0.123 4.763 4.640 0.000 0.000 0.244 429 D C -1.746 174.604 176.300 0.084 0.000 1.064 429 D CA -2.146 51.904 54.000 0.082 0.000 0.845 429 D CB 2.273 43.194 40.800 0.201 0.000 1.148 429 D HN -0.094 nan 8.370 nan 0.000 0.464 430 P HA -0.083 nan 4.420 nan 0.000 0.216 430 P C 1.080 178.364 177.300 -0.027 0.000 1.153 430 P CA 1.079 64.177 63.100 -0.003 0.000 0.848 430 P CB 0.280 31.970 31.700 -0.016 0.000 0.787 431 R N -1.512 118.964 120.500 -0.040 0.000 2.170 431 R HA -0.144 4.196 4.340 0.000 0.000 0.242 431 R C 1.724 177.829 176.300 -0.326 0.000 1.145 431 R CA 1.446 57.436 56.100 -0.183 0.000 0.984 431 R CB -0.895 29.273 30.300 -0.220 0.000 0.869 431 R HN 0.330 nan 8.270 nan 0.000 0.455 432 W N -0.007 121.238 121.300 -0.093 0.000 3.290 432 W HA 0.137 4.797 4.660 0.000 0.000 0.287 432 W C 1.496 177.958 176.519 -0.095 0.000 1.288 432 W CA -0.562 56.727 57.345 -0.093 0.000 1.725 432 W CB 0.067 29.471 29.460 -0.094 0.000 1.103 432 W HN 0.035 nan 8.180 nan 0.000 0.670 433 L N 2.584 123.829 121.223 0.036 0.000 1.976 433 L HA -0.037 4.303 4.340 0.000 0.000 0.209 433 L C -0.577 176.265 176.870 -0.046 0.000 1.071 433 L CA 2.160 56.989 54.840 -0.018 0.000 0.746 433 L CB -1.956 40.078 42.059 -0.041 0.000 0.890 433 L HN -0.219 nan 8.230 nan 0.000 0.432 434 P HA -0.218 nan 4.420 nan 0.000 0.216 434 P C 1.659 178.922 177.300 -0.062 0.000 1.157 434 P CA 2.524 65.572 63.100 -0.086 0.000 0.880 434 P CB -0.334 31.303 31.700 -0.105 0.000 0.791 435 A N -0.778 122.024 122.820 -0.030 0.000 1.883 435 A HA -0.234 4.086 4.320 0.000 0.000 0.217 435 A C 2.312 179.928 177.584 0.054 0.000 1.186 435 A CA 2.450 54.512 52.037 0.043 0.000 0.624 435 A CB -1.551 17.539 19.000 0.149 0.000 0.822 435 A HN 0.107 nan 8.150 nan 0.000 0.444 436 M N -0.781 118.852 119.600 0.054 0.000 2.080 436 M HA -0.161 4.319 4.480 0.000 0.000 0.260 436 M C 2.582 178.841 176.300 -0.067 0.000 1.068 436 M CA 1.814 57.115 55.300 0.001 0.000 1.109 436 M CB -0.533 32.042 32.600 -0.042 0.000 1.342 436 M HN 0.587 nan 8.290 nan 0.000 0.405 437 S N 0.420 116.054 115.700 -0.110 0.000 2.368 437 S HA -0.223 4.247 4.470 0.000 0.000 0.226 437 S C 1.794 176.252 174.600 -0.237 0.000 1.044 437 S CA 1.689 59.766 58.200 -0.205 0.000 1.062 437 S CB -0.314 62.763 63.200 -0.205 0.000 0.931 437 S HN 0.433 nan 8.310 nan 0.000 0.440 438 E N 0.294 120.403 120.200 -0.152 0.000 2.118 438 E HA -0.168 4.182 4.350 0.000 0.000 0.195 438 E C 2.398 178.934 176.600 -0.105 0.000 0.992 438 E CA 1.146 57.469 56.400 -0.128 0.000 0.804 438 E CB -0.178 29.484 29.700 -0.063 0.000 0.741 438 E HN 0.527 nan 8.360 nan 0.000 0.458 439 R N -0.003 120.462 120.500 -0.058 0.000 2.092 439 R HA -0.076 4.264 4.340 0.000 0.000 0.231 439 R C 2.445 178.722 176.300 -0.038 0.000 1.119 439 R CA 0.802 56.895 56.100 -0.012 0.000 0.970 439 R CB -0.171 30.157 30.300 0.047 0.000 0.864 439 R HN 0.001 nan 8.270 nan 0.000 0.440 440 V N 0.535 120.385 119.914 -0.105 0.000 2.302 440 V HA -0.226 3.894 4.120 0.000 0.000 0.243 440 V C 2.403 178.348 176.094 -0.249 0.000 1.036 440 V CA 2.254 64.474 62.300 -0.133 0.000 1.020 440 V CB -0.693 31.042 31.823 -0.146 0.000 0.657 440 V HN 0.548 nan 8.190 nan 0.000 0.453 441 T N -0.488 113.800 114.554 -0.444 0.000 2.684 441 T HA -0.279 4.071 4.350 0.000 0.000 0.267 441 T C 1.956 176.497 174.700 -0.264 0.000 1.036 441 T CA 1.593 63.339 62.100 -0.590 0.000 1.148 441 T CB -0.483 67.927 68.868 -0.763 0.000 0.863 441 T HN 0.399 nan 8.240 nan 0.000 0.436 442 R N 0.390 120.777 120.500 -0.188 0.000 2.083 442 R HA 0.011 4.351 4.340 0.000 0.000 0.237 442 R C 2.715 178.960 176.300 -0.091 0.000 1.137 442 R CA 1.656 57.687 56.100 -0.116 0.000 0.951 442 R CB -0.594 29.653 30.300 -0.089 0.000 0.851 442 R HN 0.446 nan 8.270 nan 0.000 0.434 443 M N 0.944 120.508 119.600 -0.060 0.000 2.115 443 M HA -0.216 4.264 4.480 0.000 0.000 0.258 443 M C 2.196 178.488 176.300 -0.014 0.000 1.071 443 M CA 2.027 57.334 55.300 0.012 0.000 1.100 443 M CB -0.172 32.484 32.600 0.094 0.000 1.292 443 M HN 0.005 nan 8.290 nan 0.000 0.415 444 V N 0.526 120.338 119.914 -0.170 0.000 2.278 444 V HA -0.358 3.762 4.120 0.000 0.000 0.251 444 V C 2.261 178.240 176.094 -0.193 0.000 1.062 444 V CA 2.425 64.474 62.300 -0.418 0.000 1.038 444 V CB -1.338 30.186 31.823 -0.499 0.000 0.646 444 V HN 0.613 nan 8.190 nan 0.000 0.447 445 Q N -0.665 119.058 119.800 -0.129 0.000 2.217 445 Q HA -0.269 4.071 4.340 0.000 0.000 0.209 445 Q C 2.516 178.427 176.000 -0.148 0.000 0.988 445 Q CA 2.146 57.883 55.803 -0.110 0.000 0.878 445 Q CB -0.132 28.568 28.738 -0.064 0.000 0.909 445 Q HN 0.623 nan 8.270 nan 0.000 0.424 446 R N -0.623 119.786 120.500 -0.151 0.000 2.225 446 R HA -0.038 4.302 4.340 0.000 0.000 0.194 446 R C 0.673 176.856 176.300 -0.195 0.000 0.957 446 R CA 0.813 56.784 56.100 -0.215 0.000 1.042 446 R CB 0.503 30.671 30.300 -0.219 0.000 1.004 446 R HN 0.157 nan 8.270 nan 0.000 0.509 447 D N 1.012 121.369 120.400 -0.070 0.000 2.277 447 D HA -0.052 4.588 4.640 0.000 0.000 0.209 447 D C 1.603 177.935 176.300 0.053 0.000 0.970 447 D CA 0.598 54.592 54.000 -0.010 0.000 0.874 447 D CB 0.058 40.865 40.800 0.012 0.000 0.982 447 D HN 0.284 nan 8.370 nan 0.000 0.504 448 R N 1.305 121.902 120.500 0.162 0.000 2.350 448 R HA -0.122 4.218 4.340 0.000 0.000 0.246 448 R C 1.240 177.500 176.300 -0.066 0.000 1.182 448 R CA 1.228 57.415 56.100 0.145 0.000 1.030 448 R CB -0.617 29.695 30.300 0.019 0.000 0.861 448 R HN 0.129 nan 8.270 nan 0.000 0.483 449 N N 0.248 118.821 118.700 -0.213 0.000 2.333 449 N HA -0.052 4.688 4.740 0.000 0.000 0.178 449 N C -0.085 175.274 175.510 -0.252 0.000 1.018 449 N CA 0.474 53.360 53.050 -0.275 0.000 0.882 449 N CB -0.143 38.130 38.487 -0.356 0.000 0.984 449 N HN 0.399 nan 8.380 nan 0.000 0.434 450 H N 1.462 120.441 119.070 -0.151 0.000 2.848 450 H HA 0.045 4.601 4.556 0.000 0.000 0.341 450 H C -1.251 173.925 175.328 -0.255 0.000 1.060 450 H CA -0.772 55.173 56.048 -0.171 0.000 1.444 450 H CB 0.852 30.550 29.762 -0.107 0.000 1.446 450 H HN 0.077 nan 8.280 nan 0.000 0.583 451 P HA -0.154 nan 4.420 nan 0.000 0.216 451 P C 1.723 178.666 177.300 -0.596 0.000 1.153 451 P CA 1.687 64.432 63.100 -0.591 0.000 0.844 451 P CB 0.079 31.083 31.700 -1.160 0.000 0.787 452 S N -0.629 114.788 115.700 -0.472 0.000 2.407 452 S HA -0.116 4.354 4.470 0.000 0.000 0.235 452 S C 1.053 175.657 174.600 0.007 0.000 1.036 452 S CA 0.861 59.026 58.200 -0.058 0.000 1.013 452 S CB -1.788 61.466 63.200 0.091 0.000 0.820 452 S HN -0.062 nan 8.310 nan 0.000 0.476 453 V N 3.215 123.089 119.914 -0.065 0.000 2.479 453 V HA 0.223 4.343 4.120 0.000 0.000 0.281 453 V C 1.071 177.049 176.094 -0.193 0.000 1.031 453 V CA 0.278 62.487 62.300 -0.152 0.000 1.038 453 V CB 0.487 32.102 31.823 -0.347 0.000 0.981 453 V HN 0.660 nan 8.190 nan 0.000 0.478 454 I N 3.039 123.528 120.570 -0.136 0.000 4.288 454 I HA 0.542 4.712 4.170 0.000 0.000 0.331 454 I C 0.290 176.301 176.117 -0.176 0.000 1.322 454 I CA 0.661 61.895 61.300 -0.109 0.000 1.149 454 I CB 0.398 38.381 38.000 -0.028 0.000 1.112 454 I HN 0.343 nan 8.210 nan 0.000 0.403 455 I N -0.411 119.991 120.570 -0.280 0.000 2.841 455 I HA 0.373 4.543 4.170 0.000 0.000 0.298 455 I C -1.748 174.158 176.117 -0.352 0.000 1.304 455 I CA -0.424 60.737 61.300 -0.231 0.000 1.019 455 I CB 1.982 39.952 38.000 -0.050 0.000 1.282 455 I HN -0.034 nan 8.210 nan 0.000 0.432 456 W N 3.333 124.680 121.300 0.078 0.000 2.573 456 W HA 0.679 5.339 4.660 0.000 0.000 0.326 456 W C 0.168 176.742 176.519 0.092 0.000 1.049 456 W CA -0.694 56.704 57.345 0.087 0.000 1.220 456 W CB 1.888 31.406 29.460 0.096 0.000 1.373 456 W HN 0.284 nan 8.180 nan 0.000 0.507 457 S N 3.103 118.989 115.700 0.309 0.000 2.502 457 S HA 0.391 4.861 4.470 0.000 0.000 0.304 457 S C 0.552 175.296 174.600 0.239 0.000 1.097 457 S CA -0.657 57.675 58.200 0.221 0.000 1.045 457 S CB 0.792 64.049 63.200 0.094 0.000 1.019 457 S HN 0.580 nan 8.310 nan 0.000 0.481 458 L N 4.040 125.405 121.223 0.235 0.000 2.275 458 L HA 0.288 4.628 4.340 0.000 0.000 0.215 458 L C 1.544 178.499 176.870 0.142 0.000 1.119 458 L CA 0.790 55.719 54.840 0.149 0.000 0.790 458 L CB -0.842 41.233 42.059 0.027 0.000 0.919 458 L HN 0.900 nan 8.230 nan 0.000 0.443 459 G N -0.974 107.959 108.800 0.223 0.000 2.491 459 G HA2 0.033 3.993 3.960 0.000 0.000 0.183 459 G HA3 0.033 3.993 3.960 0.000 0.000 0.183 459 G C -1.892 173.086 174.900 0.131 0.000 1.221 459 G CA -0.566 44.641 45.100 0.179 0.000 0.996 459 G HN 0.068 nan 8.290 nan 0.000 0.474 460 N N 0.806 119.566 118.700 0.100 0.000 2.324 460 N HA 0.437 5.177 4.740 0.000 0.000 0.285 460 N C -0.550 174.935 175.510 -0.043 0.000 1.076 460 N CA -0.161 52.822 53.050 -0.111 0.000 0.864 460 N CB 1.678 39.859 38.487 -0.510 0.000 1.632 460 N HN 0.765 nan 8.380 nan 0.000 0.478 461 E N 0.913 120.988 120.200 -0.208 0.000 1.757 461 E HA -0.215 4.135 4.350 0.000 0.000 0.182 461 E C -0.919 175.579 176.600 -0.170 0.000 1.337 461 E CA 0.783 56.992 56.400 -0.317 0.000 0.563 461 E CB -1.612 27.671 29.700 -0.694 0.000 1.024 461 E HN 0.485 nan 8.360 nan 0.000 0.278 462 S N 0.116 115.862 115.700 0.075 0.000 2.977 462 S HA 0.480 4.950 4.470 0.000 0.000 0.250 462 S C 0.841 175.597 174.600 0.259 0.000 1.005 462 S CA -0.419 57.880 58.200 0.164 0.000 1.081 462 S CB 1.289 64.621 63.200 0.220 0.000 1.018 462 S HN 1.017 nan 8.310 nan 0.000 0.539 463 G N 1.921 110.810 108.800 0.149 0.000 2.578 463 G HA2 -0.277 3.683 3.960 0.000 0.000 0.275 463 G HA3 -0.277 3.683 3.960 0.000 0.000 0.275 463 G C -0.477 174.614 174.900 0.319 0.000 1.271 463 G CA 0.098 45.293 45.100 0.160 0.000 0.941 463 G HN 0.796 nan 8.290 nan 0.000 0.564 464 H N 0.515 119.688 119.070 0.171 0.000 2.823 464 H HA 0.566 5.122 4.556 0.000 0.000 0.332 464 H C 0.153 175.633 175.328 0.253 0.000 0.980 464 H CA -0.023 56.150 56.048 0.207 0.000 1.286 464 H CB 0.784 30.614 29.762 0.113 0.000 1.541 464 H HN 1.107 nan 8.280 nan 0.000 0.521 465 G N 1.749 110.475 108.800 -0.124 0.000 2.612 465 G HA2 0.447 4.407 3.960 0.000 0.000 0.298 465 G HA3 0.447 4.407 3.960 0.000 0.000 0.298 465 G C 0.597 175.312 174.900 -0.307 0.000 1.336 465 G CA -0.116 44.816 45.100 -0.280 0.000 0.953 465 G HN 0.701 nan 8.290 nan 0.000 0.482 466 A N 1.555 124.247 122.820 -0.213 0.000 1.896 466 A HA -0.233 4.087 4.320 0.000 0.000 0.220 466 A C 2.265 179.808 177.584 -0.068 0.000 1.206 466 A CA 2.440 54.420 52.037 -0.095 0.000 0.647 466 A CB -0.715 18.256 19.000 -0.049 0.000 0.828 466 A HN 0.633 nan 8.150 nan 0.000 0.455 467 N N -0.419 118.204 118.700 -0.129 0.000 2.242 467 N HA -0.214 4.526 4.740 0.000 0.000 0.191 467 N C 1.312 176.740 175.510 -0.137 0.000 1.005 467 N CA 1.947 54.910 53.050 -0.145 0.000 0.877 467 N CB -0.816 37.559 38.487 -0.187 0.000 0.983 467 N HN 0.842 nan 8.380 nan 0.000 0.439 468 H N 0.297 119.322 119.070 -0.075 0.000 2.276 468 H HA -0.020 4.536 4.556 0.000 0.000 0.301 468 H C 1.468 176.843 175.328 0.079 0.000 1.073 468 H CA 1.285 57.296 56.048 -0.062 0.000 1.311 468 H CB 0.063 29.770 29.762 -0.091 0.000 1.379 468 H HN 0.143 nan 8.280 nan 0.000 0.494 469 D N 0.669 121.228 120.400 0.265 0.000 2.127 469 D HA -0.248 4.392 4.640 0.000 0.000 0.190 469 D C 2.344 178.794 176.300 0.249 0.000 1.000 469 D CA 1.358 55.521 54.000 0.272 0.000 0.839 469 D CB -0.721 40.211 40.800 0.219 0.000 0.955 469 D HN 0.414 nan 8.370 nan 0.000 0.446 470 A N 1.132 124.044 122.820 0.152 0.000 1.882 470 A HA -0.262 4.058 4.320 0.000 0.000 0.220 470 A C 2.517 180.200 177.584 0.166 0.000 1.253 470 A CA 2.253 54.365 52.037 0.125 0.000 0.664 470 A CB -1.244 17.794 19.000 0.062 0.000 0.838 470 A HN 0.300 nan 8.150 nan 0.000 0.460 471 L N -2.208 119.102 121.223 0.144 0.000 2.191 471 L HA -0.181 4.159 4.340 0.000 0.000 0.212 471 L C 2.558 179.569 176.870 0.236 0.000 1.103 471 L CA 1.623 56.559 54.840 0.160 0.000 0.769 471 L CB -0.717 41.368 42.059 0.043 0.000 0.908 471 L HN 0.633 nan 8.230 nan 0.000 0.438 472 Y N 0.678 121.053 120.300 0.124 0.000 2.114 472 Y HA -0.225 4.325 4.550 0.000 0.000 0.284 472 Y C 2.847 178.810 175.900 0.106 0.000 1.143 472 Y CA 1.414 59.584 58.100 0.118 0.000 1.135 472 Y CB -0.269 38.259 38.460 0.113 0.000 0.980 472 Y HN -0.066 nan 8.280 nan 0.000 0.499 473 R N 0.007 120.485 120.500 -0.037 0.000 2.082 473 R HA -0.263 4.077 4.340 0.000 0.000 0.234 473 R C 2.179 178.417 176.300 -0.105 0.000 1.136 473 R CA 2.069 58.088 56.100 -0.135 0.000 0.935 473 R CB -1.820 28.504 30.300 0.041 0.000 0.842 473 R HN 0.658 nan 8.270 nan 0.000 0.430 474 W N 1.471 122.704 121.300 -0.112 0.000 2.290 474 W HA -0.266 4.394 4.660 0.000 0.000 0.323 474 W C 1.958 178.374 176.519 -0.171 0.000 1.260 474 W CA 2.182 59.456 57.345 -0.117 0.000 1.266 474 W CB -0.398 29.006 29.460 -0.094 0.000 1.149 474 W HN 0.067 nan 8.180 nan 0.000 0.482 475 I N 0.588 121.135 120.570 -0.038 0.000 2.315 475 I HA -0.306 3.864 4.170 0.000 0.000 0.248 475 I C 2.305 178.204 176.117 -0.362 0.000 1.117 475 I CA 1.372 62.518 61.300 -0.257 0.000 1.404 475 I CB -1.149 36.774 38.000 -0.127 0.000 1.071 475 I HN 0.015 nan 8.210 nan 0.000 0.419 476 K N 1.390 121.587 120.400 -0.339 0.000 2.020 476 K HA -0.143 4.177 4.320 0.000 0.000 0.212 476 K C 2.236 178.667 176.600 -0.281 0.000 1.050 476 K CA 1.859 57.959 56.287 -0.311 0.000 0.929 476 K CB -0.869 31.392 32.500 -0.398 0.000 0.714 476 K HN 0.330 nan 8.250 nan 0.000 0.443 477 S N 1.165 116.661 115.700 -0.340 0.000 2.355 477 S HA -0.076 4.394 4.470 0.000 0.000 0.222 477 S C 2.356 176.703 174.600 -0.422 0.000 1.031 477 S CA 1.328 59.327 58.200 -0.335 0.000 0.993 477 S CB -0.508 62.486 63.200 -0.342 0.000 0.859 477 S HN 0.029 nan 8.310 nan 0.000 0.453 478 V N 1.318 120.825 119.914 -0.678 0.000 2.548 478 V HA 0.032 4.152 4.120 0.000 0.000 0.249 478 V C 0.525 176.363 176.094 -0.426 0.000 1.055 478 V CA 1.253 63.133 62.300 -0.700 0.000 1.065 478 V CB -0.478 30.593 31.823 -1.254 0.000 0.681 478 V HN 0.411 nan 8.190 nan 0.000 0.462 479 D N -0.382 119.803 120.400 -0.357 0.000 2.478 479 D HA 0.260 4.900 4.640 0.000 0.000 0.240 479 D C -2.604 173.643 176.300 -0.089 0.000 1.364 479 D CA -1.591 52.301 54.000 -0.180 0.000 0.987 479 D CB 2.270 42.997 40.800 -0.122 0.000 1.328 479 D HN 0.094 nan 8.370 nan 0.000 0.584 480 P HA 0.130 nan 4.420 nan 0.000 0.272 480 P C 0.561 177.881 177.300 0.033 0.000 1.408 480 P CA -0.031 63.053 63.100 -0.026 0.000 0.996 480 P CB 0.204 31.875 31.700 -0.048 0.000 1.481 481 S N -1.411 114.329 115.700 0.067 0.000 2.575 481 S HA 0.233 4.703 4.470 0.000 0.000 0.215 481 S C 0.860 175.525 174.600 0.107 0.000 0.966 481 S CA -0.260 57.991 58.200 0.085 0.000 0.911 481 S CB -0.065 63.182 63.200 0.078 0.000 0.780 481 S HN 0.008 nan 8.310 nan 0.000 0.514 482 R N 1.420 122.018 120.500 0.164 0.000 2.628 482 R HA 0.544 4.884 4.340 0.000 0.000 0.288 482 R C -3.164 173.253 176.300 0.194 0.000 0.980 482 R CA -2.130 54.064 56.100 0.155 0.000 0.891 482 R CB 1.847 32.282 30.300 0.224 0.000 1.188 482 R HN 0.150 nan 8.270 nan 0.000 0.450 483 P HA 0.170 nan 4.420 nan 0.000 0.274 483 P C -0.833 176.609 177.300 0.236 0.000 1.246 483 P CA -0.451 62.743 63.100 0.157 0.000 0.795 483 P CB 0.792 32.555 31.700 0.104 0.000 1.006 484 V N 1.694 121.785 119.914 0.295 0.000 2.555 484 V HA 0.413 4.533 4.120 0.000 0.000 0.302 484 V C 0.188 176.450 176.094 0.279 0.000 1.038 484 V CA -0.274 62.248 62.300 0.371 0.000 0.887 484 V CB 1.316 33.443 31.823 0.507 0.000 0.991 484 V HN 0.672 nan 8.190 nan 0.000 0.434 485 Q N 3.968 123.898 119.800 0.216 0.000 2.451 485 Q HA 0.792 5.132 4.340 0.000 0.000 0.281 485 Q C -1.823 174.280 176.000 0.172 0.000 1.099 485 Q CA -0.917 54.957 55.803 0.119 0.000 0.806 485 Q CB 2.901 31.664 28.738 0.041 0.000 1.419 485 Q HN 0.646 nan 8.270 nan 0.000 0.427 486 Y N 0.658 120.910 120.300 -0.080 0.000 2.282 486 Y HA 0.122 4.672 4.550 0.000 0.000 0.317 486 Y C -0.362 175.432 175.900 -0.177 0.000 1.236 486 Y CA -0.702 57.324 58.100 -0.125 0.000 1.134 486 Y CB 1.867 40.247 38.460 -0.134 0.000 1.267 486 Y HN 0.974 nan 8.280 nan 0.000 0.410 487 E N 3.692 123.411 120.200 -0.802 0.000 2.285 487 E HA 0.070 4.420 4.350 0.000 0.000 0.194 487 E C 0.775 176.925 176.600 -0.750 0.000 0.997 487 E CA 0.875 56.890 56.400 -0.642 0.000 0.845 487 E CB 0.115 29.550 29.700 -0.441 0.000 0.782 487 E HN 0.898 nan 8.360 nan 0.000 0.491 488 G N -0.159 107.758 108.800 -1.472 0.000 2.583 488 G HA2 0.134 4.094 3.960 0.000 0.000 0.230 488 G HA3 0.134 4.094 3.960 0.000 0.000 0.230 488 G C 0.954 175.705 174.900 -0.248 0.000 1.249 488 G CA 0.450 45.053 45.100 -0.828 0.000 0.857 488 G HN 0.412 nan 8.290 nan 0.000 0.569 489 G N -0.330 108.436 108.800 -0.057 0.000 2.228 489 G HA2 0.164 4.124 3.960 0.000 0.000 0.270 489 G HA3 0.164 4.124 3.960 0.000 0.000 0.270 489 G C 1.293 176.189 174.900 -0.008 0.000 0.976 489 G CA 1.336 46.458 45.100 0.037 0.000 0.636 489 G HN 2.619 nan 8.290 nan 0.000 0.542 490 G N -1.899 106.875 108.800 -0.043 0.000 2.456 490 G HA2 0.508 4.468 3.960 0.000 0.000 0.208 490 G HA3 0.508 4.468 3.960 0.000 0.000 0.208 490 G C 0.933 175.911 174.900 0.129 0.000 1.004 490 G CA 1.165 46.304 45.100 0.066 0.000 0.791 490 G HN 2.214 nan 8.290 nan 0.000 0.537 491 A N 0.191 122.969 122.820 -0.069 0.000 4.029 491 A HA -0.203 4.117 4.320 0.000 0.000 0.268 491 A C 1.279 178.743 177.584 -0.201 0.000 0.943 491 A CA 2.770 54.700 52.037 -0.178 0.000 1.137 491 A CB -1.667 17.195 19.000 -0.229 0.000 1.074 491 A HN 1.970 nan 8.150 nan 0.000 0.854 492 D N -0.887 119.480 120.400 -0.055 0.000 2.620 492 D HA 0.289 4.929 4.640 0.000 0.000 0.260 492 D C 0.495 176.756 176.300 -0.065 0.000 1.367 492 D CA 0.962 54.928 54.000 -0.057 0.000 0.805 492 D CB -1.177 39.677 40.800 0.090 0.000 1.096 492 D HN 0.892 nan 8.370 nan 0.000 0.488 493 T N -2.018 112.449 114.554 -0.145 0.000 2.680 493 T HA 0.106 4.456 4.350 0.000 0.000 0.314 493 T C 1.714 176.273 174.700 -0.236 0.000 1.045 493 T CA 0.659 62.613 62.100 -0.242 0.000 1.025 493 T CB 0.951 69.505 68.868 -0.523 0.000 1.000 493 T HN 0.122 nan 8.240 nan 0.000 0.535 494 T N -2.094 112.323 114.554 -0.228 0.000 3.025 494 T HA 0.057 4.407 4.350 0.000 0.000 0.270 494 T C 1.739 176.224 174.700 -0.359 0.000 1.126 494 T CA 0.638 62.633 62.100 -0.174 0.000 1.105 494 T CB -0.650 68.195 68.868 -0.039 0.000 0.884 494 T HN 0.871 nan 8.240 nan 0.000 0.522 495 A N 0.205 122.795 122.820 -0.385 0.000 2.307 495 A HA 0.462 4.782 4.320 0.000 0.000 0.218 495 A C 1.005 178.220 177.584 -0.615 0.000 1.228 495 A CA 0.052 51.779 52.037 -0.517 0.000 0.857 495 A CB -0.060 18.887 19.000 -0.087 0.000 0.897 495 A HN 0.491 nan 8.150 nan 0.000 0.495 496 T N -1.604 112.655 114.554 -0.492 0.000 2.912 496 T HA 0.375 4.725 4.350 0.000 0.000 0.299 496 T C -0.453 174.146 174.700 -0.168 0.000 1.052 496 T CA -0.495 61.456 62.100 -0.249 0.000 0.996 496 T CB 1.277 70.070 68.868 -0.124 0.000 1.070 496 T HN 0.095 nan 8.240 nan 0.000 0.465 497 D N 2.656 123.054 120.400 -0.003 0.000 2.289 497 D HA 0.204 4.844 4.640 0.000 0.000 0.207 497 D C 0.455 176.742 176.300 -0.022 0.000 0.966 497 D CA 0.828 54.853 54.000 0.042 0.000 0.868 497 D CB 0.406 41.284 40.800 0.130 0.000 0.943 497 D HN 0.528 nan 8.370 nan 0.000 0.514 498 I N 1.280 121.818 120.570 -0.053 0.000 2.474 498 I HA 0.229 4.399 4.170 0.000 0.000 0.294 498 I C -0.031 175.979 176.117 -0.178 0.000 1.005 498 I CA -0.920 60.319 61.300 -0.101 0.000 1.113 498 I CB 2.505 40.462 38.000 -0.072 0.000 1.289 498 I HN -0.293 nan 8.210 nan 0.000 0.436 499 I N 5.503 125.922 120.570 -0.252 0.000 2.494 499 I HA 0.066 4.236 4.170 0.000 0.000 0.289 499 I C 0.297 176.168 176.117 -0.410 0.000 1.106 499 I CA -0.163 60.884 61.300 -0.422 0.000 1.369 499 I CB -0.204 37.415 38.000 -0.635 0.000 1.410 499 I HN 0.657 nan 8.210 nan 0.000 0.523 500 C N 5.246 124.327 119.300 -0.366 0.000 3.163 500 C HA 0.481 4.941 4.460 0.000 0.000 0.228 500 C C -1.914 172.912 174.990 -0.273 0.000 1.593 500 C CA -2.231 56.625 59.018 -0.271 0.000 1.489 500 C CB -1.181 26.445 27.740 -0.190 0.000 2.294 500 C HN 0.476 nan 8.230 nan 0.000 0.508 501 P HA 0.270 nan 4.420 nan 0.000 0.272 501 P C -0.400 176.811 177.300 -0.148 0.000 1.254 501 P CA 0.293 63.286 63.100 -0.178 0.000 0.795 501 P CB 0.574 32.257 31.700 -0.028 0.000 1.022 502 M N -1.012 118.507 119.600 -0.136 0.000 2.190 502 M HA 0.474 4.954 4.480 0.000 0.000 0.312 502 M C -1.173 174.991 176.300 -0.226 0.000 0.990 502 M CA -0.721 54.368 55.300 -0.353 0.000 0.927 502 M CB 1.392 33.723 32.600 -0.449 0.000 1.571 502 M HN 0.198 nan 8.290 nan 0.000 0.427 503 Y N -0.176 120.270 120.300 0.244 0.000 3.689 503 Y HA -0.153 4.397 4.550 0.000 0.000 0.221 503 Y C 0.095 176.147 175.900 0.252 0.000 1.247 503 Y CA 0.456 58.707 58.100 0.251 0.000 1.671 503 Y CB -2.547 36.052 38.460 0.231 0.000 1.521 503 Y HN 0.963 nan 8.280 nan 0.000 0.632 504 A N 0.747 123.768 122.820 0.335 0.000 2.301 504 A HA 0.751 5.071 4.320 0.000 0.000 0.298 504 A C 0.555 178.357 177.584 0.364 0.000 1.185 504 A CA -0.804 51.426 52.037 0.321 0.000 0.830 504 A CB 0.539 19.758 19.000 0.365 0.000 1.112 504 A HN 0.353 nan 8.150 nan 0.000 0.508 505 R N 1.923 122.569 120.500 0.243 0.000 2.459 505 R HA 0.312 4.652 4.340 0.000 0.000 0.281 505 R C 1.085 177.391 176.300 0.009 0.000 1.050 505 R CA -0.666 55.522 56.100 0.147 0.000 1.055 505 R CB 0.968 31.304 30.300 0.060 0.000 1.045 505 R HN 0.496 nan 8.270 nan 0.000 0.495 506 V N 1.725 121.492 119.914 -0.246 0.000 2.277 506 V HA -0.312 3.808 4.120 0.000 0.000 0.253 506 V C 0.482 176.494 176.094 -0.138 0.000 1.067 506 V CA 2.345 64.476 62.300 -0.282 0.000 1.047 506 V CB -0.332 31.208 31.823 -0.472 0.000 0.649 506 V HN 0.859 nan 8.190 nan 0.000 0.447 507 D N -2.433 117.910 120.400 -0.096 0.000 2.556 507 D HA 0.175 4.815 4.640 0.000 0.000 0.237 507 D C 0.382 176.670 176.300 -0.020 0.000 1.296 507 D CA -0.057 53.913 54.000 -0.050 0.000 0.807 507 D CB 0.635 41.408 40.800 -0.045 0.000 1.084 507 D HN 0.397 nan 8.370 nan 0.000 0.510 508 E N 1.229 121.419 120.200 -0.017 0.000 2.212 508 E HA 0.197 4.547 4.350 0.000 0.000 0.268 508 E C -1.108 175.476 176.600 -0.026 0.000 0.902 508 E CA -0.698 55.691 56.400 -0.018 0.000 0.779 508 E CB 1.326 31.013 29.700 -0.022 0.000 1.172 508 E HN -0.078 nan 8.360 nan 0.000 0.409 509 D N 2.824 123.202 120.400 -0.037 0.000 2.304 509 D HA 0.116 4.756 4.640 0.000 0.000 0.250 509 D C -0.594 175.561 176.300 -0.242 0.000 1.107 509 D CA 0.065 54.016 54.000 -0.081 0.000 0.885 509 D CB 1.161 41.977 40.800 0.027 0.000 1.192 509 D HN 0.315 nan 8.370 nan 0.000 0.436 510 Q N 1.259 120.789 119.800 -0.449 0.000 2.798 510 Q HA 0.327 4.667 4.340 0.000 0.000 0.250 510 Q C -2.434 172.855 176.000 -1.185 0.000 1.006 510 Q CA -1.794 53.545 55.803 -0.773 0.000 0.759 510 Q CB 1.480 29.781 28.738 -0.729 0.000 1.201 510 Q HN 0.050 nan 8.270 nan 0.000 0.486 511 P HA -0.030 nan 4.420 nan 0.000 0.235 511 P C -0.960 176.056 177.300 -0.474 0.000 1.670 511 P CA 0.061 62.770 63.100 -0.652 0.000 1.017 511 P CB -0.537 30.962 31.700 -0.336 0.000 1.945 512 F N 2.764 122.555 119.950 -0.265 0.000 2.484 512 F HA 0.225 4.752 4.527 0.000 0.000 0.360 512 F C -1.321 174.376 175.800 -0.173 0.000 1.101 512 F CA -3.024 54.871 58.000 -0.175 0.000 1.251 512 F CB -0.767 38.142 39.000 -0.152 0.000 1.132 512 F HN 0.073 nan 8.300 nan 0.000 0.570 513 P HA 0.081 nan 4.420 nan 0.000 0.266 513 P C 0.438 177.751 177.300 0.021 0.000 1.195 513 P CA 0.996 64.112 63.100 0.027 0.000 0.768 513 P CB 0.752 32.468 31.700 0.026 0.000 0.838 514 A N 2.671 125.495 122.820 0.006 0.000 3.976 514 A HA -0.260 4.060 4.320 0.000 0.000 0.246 514 A C 0.806 178.396 177.584 0.009 0.000 0.591 514 A CA 2.276 54.322 52.037 0.015 0.000 1.143 514 A CB -2.681 16.332 19.000 0.022 0.000 1.238 514 A HN 0.634 nan 8.150 nan 0.000 0.666 515 V N -4.082 115.833 119.914 0.002 0.000 2.724 515 V HA 0.461 4.581 4.120 0.000 0.000 0.341 515 V C -2.584 173.474 176.094 -0.060 0.000 1.254 515 V CA -1.208 61.091 62.300 -0.002 0.000 1.261 515 V CB 0.250 32.088 31.823 0.024 0.000 1.445 515 V HN 0.258 nan 8.190 nan 0.000 0.652 516 P HA 0.163 nan 4.420 nan 0.000 0.267 516 P C -0.330 176.454 177.300 -0.860 0.000 1.201 516 P CA 0.555 63.233 63.100 -0.703 0.000 0.775 516 P CB 0.420 31.340 31.700 -1.299 0.000 0.854 517 K N 2.395 122.297 120.400 -0.831 0.000 2.478 517 K HA 0.237 4.557 4.320 0.000 0.000 0.236 517 K C -0.763 175.457 176.600 -0.632 0.000 1.021 517 K CA -0.410 55.541 56.287 -0.560 0.000 1.010 517 K CB 0.530 32.991 32.500 -0.064 0.000 1.331 517 K HN 0.436 nan 8.250 nan 0.000 0.470 518 W N 1.179 122.117 121.300 -0.604 0.000 2.129 518 W HA 0.117 4.777 4.660 0.000 0.000 0.349 518 W C 1.229 177.690 176.519 -0.095 0.000 1.279 518 W CA -0.575 56.521 57.345 -0.416 0.000 1.306 518 W CB 0.356 29.455 29.460 -0.602 0.000 1.140 518 W HN 0.353 nan 8.180 nan 0.000 0.613 519 S N 3.095 118.912 115.700 0.195 0.000 2.575 519 S HA -0.072 4.398 4.470 0.000 0.000 0.295 519 S C 1.441 176.164 174.600 0.206 0.000 1.267 519 S CA -0.155 58.126 58.200 0.136 0.000 1.074 519 S CB -0.088 63.151 63.200 0.065 0.000 0.829 519 S HN 0.517 nan 8.310 nan 0.000 0.497 520 I N 3.323 124.007 120.570 0.190 0.000 2.145 520 I HA -0.277 3.893 4.170 0.000 0.000 0.244 520 I C 2.062 178.223 176.117 0.073 0.000 1.075 520 I CA 1.702 63.115 61.300 0.188 0.000 1.332 520 I CB -0.615 37.452 38.000 0.110 0.000 1.033 520 I HN 0.620 nan 8.210 nan 0.000 0.410 521 K N 1.439 121.791 120.400 -0.081 0.000 2.103 521 K HA -0.194 4.126 4.320 0.000 0.000 0.207 521 K C 2.300 178.907 176.600 0.011 0.000 1.048 521 K CA 2.000 58.175 56.287 -0.186 0.000 0.930 521 K CB -0.283 32.036 32.500 -0.301 0.000 0.716 521 K HN 0.554 nan 8.250 nan 0.000 0.444 522 K N 0.252 120.678 120.400 0.044 0.000 2.167 522 K HA -0.154 4.166 4.320 0.000 0.000 0.203 522 K C 1.831 178.441 176.600 0.016 0.000 1.052 522 K CA 0.614 56.904 56.287 0.005 0.000 0.956 522 K CB -0.122 32.342 32.500 -0.060 0.000 0.735 522 K HN 0.167 nan 8.250 nan 0.000 0.451 523 W N 2.432 123.696 121.300 -0.060 0.000 2.304 523 W HA -0.196 4.464 4.660 0.000 0.000 0.315 523 W C 1.759 178.232 176.519 -0.076 0.000 1.233 523 W CA 1.181 58.485 57.345 -0.068 0.000 1.261 523 W CB -0.594 28.912 29.460 0.077 0.000 1.150 523 W HN 0.088 nan 8.180 nan 0.000 0.494 524 L N 0.685 122.035 121.223 0.212 0.000 2.189 524 L HA -0.244 4.096 4.340 0.000 0.000 0.214 524 L C 2.257 179.172 176.870 0.076 0.000 1.097 524 L CA 2.051 56.958 54.840 0.111 0.000 0.764 524 L CB -1.127 40.998 42.059 0.110 0.000 0.900 524 L HN 0.057 nan 8.230 nan 0.000 0.436 525 S N -1.435 114.296 115.700 0.051 0.000 2.557 525 S HA 0.211 4.681 4.470 0.000 0.000 0.223 525 S C 0.628 175.203 174.600 -0.042 0.000 0.969 525 S CA -0.542 57.662 58.200 0.007 0.000 0.927 525 S CB -0.259 62.944 63.200 0.005 0.000 0.806 525 S HN 0.176 nan 8.310 nan 0.000 0.489 526 L N 2.253 123.442 121.223 -0.057 0.000 2.467 526 L HA 0.306 4.646 4.340 0.000 0.000 0.270 526 L C -2.179 174.658 176.870 -0.054 0.000 1.205 526 L CA -2.009 52.762 54.840 -0.116 0.000 0.828 526 L CB -0.330 41.629 42.059 -0.167 0.000 1.101 526 L HN 0.012 nan 8.230 nan 0.000 0.479 527 P HA -0.028 nan 4.420 nan 0.000 0.257 527 P C 0.814 178.104 177.300 -0.018 0.000 1.189 527 P CA 1.104 64.180 63.100 -0.041 0.000 0.780 527 P CB 0.434 32.105 31.700 -0.050 0.000 0.772 528 G N 2.512 111.308 108.800 -0.007 0.000 2.284 528 G HA2 -0.248 3.712 3.960 0.000 0.000 0.230 528 G HA3 -0.248 3.712 3.960 0.000 0.000 0.230 528 G C 0.282 175.188 174.900 0.011 0.000 1.021 528 G CA -0.083 45.019 45.100 0.003 0.000 0.619 528 G HN 0.598 nan 8.290 nan 0.000 0.510 529 E N 1.513 121.724 120.200 0.018 0.000 2.414 529 E HA 0.519 4.869 4.350 0.000 0.000 0.263 529 E C 1.404 178.012 176.600 0.013 0.000 1.000 529 E CA 1.136 57.552 56.400 0.027 0.000 0.914 529 E CB 0.730 30.470 29.700 0.065 0.000 0.948 529 E HN 0.669 nan 8.360 nan 0.000 0.444 530 T N 0.570 115.126 114.554 0.003 0.000 3.131 530 T HA 0.301 4.651 4.350 0.000 0.000 0.283 530 T C 0.666 175.358 174.700 -0.014 0.000 0.906 530 T CA -0.477 61.622 62.100 -0.002 0.000 0.882 530 T CB 0.080 68.949 68.868 0.002 0.000 1.208 530 T HN 0.248 nan 8.240 nan 0.000 0.561 531 R N 2.069 122.552 120.500 -0.028 0.000 2.738 531 R HA 0.470 4.810 4.340 0.000 0.000 0.275 531 R C -2.593 173.665 176.300 -0.069 0.000 1.121 531 R CA -1.474 54.597 56.100 -0.049 0.000 1.207 531 R CB -0.066 30.191 30.300 -0.072 0.000 1.141 531 R HN 0.215 nan 8.270 nan 0.000 0.571 532 P HA 0.157 nan 4.420 nan 0.000 0.280 532 P C -1.405 175.799 177.300 -0.160 0.000 1.272 532 P CA -0.441 62.597 63.100 -0.104 0.000 0.819 532 P CB 0.635 32.276 31.700 -0.098 0.000 1.122 533 L N 1.996 123.104 121.223 -0.192 0.000 2.406 533 L HA 0.530 4.870 4.340 0.000 0.000 0.270 533 L C -1.488 175.205 176.870 -0.294 0.000 0.982 533 L CA -0.444 54.241 54.840 -0.258 0.000 0.843 533 L CB -0.174 41.736 42.059 -0.248 0.000 1.225 533 L HN 0.271 nan 8.230 nan 0.000 0.412 534 I N 5.555 125.957 120.570 -0.280 0.000 2.498 534 I HA 0.335 4.505 4.170 0.000 0.000 0.290 534 I C -0.754 175.223 176.117 -0.234 0.000 1.032 534 I CA -0.857 60.263 61.300 -0.300 0.000 1.073 534 I CB 2.250 40.136 38.000 -0.191 0.000 1.251 534 I HN 0.468 nan 8.210 nan 0.000 0.426 535 L N 5.550 126.608 121.223 -0.275 0.000 2.281 535 L HA 0.191 4.531 4.340 0.000 0.000 0.285 535 L C 1.294 178.208 176.870 0.074 0.000 1.074 535 L CA -0.408 54.344 54.840 -0.148 0.000 0.817 535 L CB 1.000 42.943 42.059 -0.194 0.000 1.168 535 L HN 0.825 nan 8.230 nan 0.000 0.434 536 C N 0.347 119.670 119.300 0.038 0.000 2.435 536 C HA 0.074 4.534 4.460 0.000 0.000 0.279 536 C C 0.628 175.744 174.990 0.210 0.000 1.321 536 C CA -0.026 59.056 59.018 0.108 0.000 1.752 536 C CB -0.981 26.708 27.740 -0.084 0.000 1.959 536 C HN 0.841 nan 8.230 nan 0.000 0.500 537 E N -0.486 119.761 120.200 0.078 0.000 2.313 537 E HA 0.523 4.873 4.350 0.000 0.000 0.280 537 E C -1.317 175.302 176.600 0.033 0.000 0.898 537 E CA -0.321 56.151 56.400 0.120 0.000 0.803 537 E CB 1.582 31.172 29.700 -0.183 0.000 1.286 537 E HN 0.608 nan 8.360 nan 0.000 0.401 538 Y N -0.112 120.322 120.300 0.223 0.000 2.609 538 Y HA 0.740 5.290 4.550 0.000 0.000 0.342 538 Y C -0.291 175.885 175.900 0.458 0.000 1.058 538 Y CA -1.454 56.820 58.100 0.291 0.000 1.055 538 Y CB 0.871 39.268 38.460 -0.106 0.000 1.292 538 Y HN 0.624 nan 8.280 nan 0.000 0.476 539 A N 2.069 125.018 122.820 0.215 0.000 2.237 539 A HA -0.249 4.071 4.320 0.000 0.000 0.281 539 A C -0.253 177.416 177.584 0.141 0.000 1.414 539 A CA 0.904 52.989 52.037 0.082 0.000 0.733 539 A CB -2.616 16.315 19.000 -0.114 0.000 1.168 539 A HN 1.178 nan 8.150 nan 0.000 0.347 540 H N 1.146 120.239 119.070 0.038 0.000 3.253 540 H HA 0.243 4.799 4.556 0.000 0.000 0.250 540 H C 1.254 176.555 175.328 -0.044 0.000 1.051 540 H CA 0.703 56.769 56.048 0.030 0.000 1.458 540 H CB 0.274 29.886 29.762 -0.249 0.000 1.549 540 H HN 0.874 nan 8.280 nan 0.000 0.506 541 A N 6.198 128.884 122.820 -0.223 0.000 2.478 541 A HA -0.036 4.284 4.320 0.000 0.000 0.239 541 A C 1.250 178.596 177.584 -0.396 0.000 1.480 541 A CA -0.163 51.689 52.037 -0.308 0.000 1.308 541 A CB -0.814 17.999 19.000 -0.311 0.000 0.899 541 A HN 0.837 nan 8.150 nan 0.000 0.600 542 M N 1.413 120.757 119.600 -0.427 0.000 3.282 542 M HA 0.263 4.743 4.480 0.000 0.000 0.242 542 M C 1.264 177.324 176.300 -0.399 0.000 1.568 542 M CA 1.182 56.244 55.300 -0.397 0.000 1.668 542 M CB -0.958 31.478 32.600 -0.273 0.000 1.236 542 M HN 0.821 nan 8.290 nan 0.000 0.527 543 G N 2.592 111.146 108.800 -0.410 0.000 2.652 543 G HA2 -0.316 3.644 3.960 0.000 0.000 0.278 543 G HA3 -0.316 3.644 3.960 0.000 0.000 0.278 543 G C -0.058 174.341 174.900 -0.836 0.000 1.263 543 G CA -0.014 44.700 45.100 -0.643 0.000 0.966 543 G HN 0.636 nan 8.290 nan 0.000 0.544 544 N N 2.023 120.139 118.700 -0.974 0.000 2.719 544 N HA 0.629 5.369 4.740 0.000 0.000 0.243 544 N C -0.147 175.077 175.510 -0.477 0.000 1.104 544 N CA 0.866 53.471 53.050 -0.742 0.000 0.981 544 N CB 0.485 38.581 38.487 -0.652 0.000 1.290 544 N HN 0.599 nan 8.380 nan 0.000 0.513 545 S N 0.971 116.447 115.700 -0.374 0.000 3.144 545 S HA 0.544 5.014 4.470 0.000 0.000 0.325 545 S C -0.366 174.092 174.600 -0.238 0.000 1.161 545 S CA -0.428 57.603 58.200 -0.282 0.000 0.920 545 S CB 0.452 63.510 63.200 -0.236 0.000 1.340 545 S HN 0.335 nan 8.310 nan 0.000 0.681 546 L N 0.317 121.427 121.223 -0.188 0.000 4.192 546 L HA -0.083 4.257 4.340 0.000 0.000 0.403 546 L C 0.399 177.227 176.870 -0.070 0.000 1.163 546 L CA 0.898 55.641 54.840 -0.162 0.000 0.937 546 L CB -1.827 40.038 42.059 -0.323 0.000 2.134 546 L HN 0.687 nan 8.230 nan 0.000 0.754 547 G N -0.739 108.005 108.800 -0.094 0.000 2.360 547 G HA2 0.525 4.485 3.960 0.000 0.000 0.279 547 G HA3 0.525 4.485 3.960 0.000 0.000 0.279 547 G C 1.131 176.018 174.900 -0.022 0.000 1.189 547 G CA 0.284 45.316 45.100 -0.113 0.000 0.941 547 G HN 1.290 nan 8.290 nan 0.000 0.445 548 G N 2.005 110.815 108.800 0.016 0.000 2.205 548 G HA2 -0.251 3.709 3.960 0.000 0.000 0.180 548 G HA3 -0.251 3.709 3.960 0.000 0.000 0.180 548 G C 0.904 175.972 174.900 0.280 0.000 1.004 548 G CA 0.374 45.529 45.100 0.092 0.000 0.670 548 G HN 0.522 nan 8.290 nan 0.000 0.496 549 F N 2.101 122.127 119.950 0.127 0.000 2.070 549 F HA -0.038 4.489 4.527 0.000 0.000 0.298 549 F C 3.038 178.999 175.800 0.268 0.000 1.189 549 F CA 3.110 61.252 58.000 0.236 0.000 1.223 549 F CB -1.084 37.997 39.000 0.135 0.000 0.939 549 F HN 0.508 nan 8.300 nan 0.000 0.531 550 A N -0.629 122.365 122.820 0.290 0.000 2.096 550 A HA -0.393 3.927 4.320 0.000 0.000 0.225 550 A C 2.292 179.903 177.584 0.045 0.000 1.192 550 A CA 2.491 54.613 52.037 0.142 0.000 0.679 550 A CB -1.148 17.939 19.000 0.146 0.000 0.821 550 A HN 0.575 nan 8.150 nan 0.000 0.484 551 K N -2.155 118.256 120.400 0.018 0.000 2.097 551 K HA -0.150 4.170 4.320 0.000 0.000 0.205 551 K C 1.782 178.190 176.600 -0.319 0.000 1.050 551 K CA 1.540 57.757 56.287 -0.117 0.000 0.938 551 K CB -0.257 32.168 32.500 -0.125 0.000 0.718 551 K HN 0.576 nan 8.250 nan 0.000 0.442 552 Y N -0.520 119.556 120.300 -0.374 0.000 2.133 552 Y HA -0.215 4.335 4.550 0.000 0.000 0.287 552 Y C 1.924 176.969 175.900 -1.425 0.000 1.134 552 Y CA 1.577 59.138 58.100 -0.899 0.000 1.133 552 Y CB -0.639 37.288 38.460 -0.887 0.000 0.987 552 Y HN 0.152 nan 8.280 nan 0.000 0.502 553 W N 0.474 121.324 121.300 -0.749 0.000 2.359 553 W HA -0.229 4.431 4.660 0.000 0.000 0.275 553 W C 2.543 178.854 176.519 -0.347 0.000 1.217 553 W CA 1.801 58.797 57.345 -0.582 0.000 1.196 553 W CB -0.645 28.557 29.460 -0.430 0.000 1.129 553 W HN 0.198 nan 8.180 nan 0.000 0.566 554 Q N -0.208 119.464 119.800 -0.213 0.000 2.062 554 Q HA -0.105 4.235 4.340 0.000 0.000 0.196 554 Q C 2.426 178.370 176.000 -0.094 0.000 0.967 554 Q CA 1.678 57.424 55.803 -0.095 0.000 0.832 554 Q CB -0.378 28.326 28.738 -0.056 0.000 0.899 554 Q HN 0.185 nan 8.270 nan 0.000 0.442 555 A N 0.578 123.277 122.820 -0.201 0.000 1.858 555 A HA -0.190 4.130 4.320 0.000 0.000 0.216 555 A C 1.742 179.316 177.584 -0.015 0.000 1.190 555 A CA 1.419 53.374 52.037 -0.137 0.000 0.617 555 A CB -0.999 17.832 19.000 -0.282 0.000 0.827 555 A HN 0.440 nan 8.150 nan 0.000 0.443 556 F N 0.298 120.076 119.950 -0.287 0.000 2.063 556 F HA -0.224 4.303 4.527 0.000 0.000 0.298 556 F C 2.532 178.234 175.800 -0.164 0.000 1.109 556 F CA 1.500 59.295 58.000 -0.341 0.000 1.212 556 F CB -1.210 37.378 39.000 -0.685 0.000 0.973 556 F HN 0.199 nan 8.300 nan 0.000 0.480 557 R N -0.140 120.404 120.500 0.073 0.000 2.152 557 R HA -0.174 4.166 4.340 0.000 0.000 0.232 557 R C 2.145 178.494 176.300 0.081 0.000 1.117 557 R CA 1.211 57.352 56.100 0.069 0.000 0.981 557 R CB -0.519 29.815 30.300 0.057 0.000 0.870 557 R HN 0.475 nan 8.270 nan 0.000 0.451 558 Q N -0.475 119.409 119.800 0.139 0.000 2.163 558 Q HA -0.031 4.309 4.340 0.000 0.000 0.198 558 Q C -0.395 175.724 176.000 0.199 0.000 0.954 558 Q CA 0.833 56.745 55.803 0.181 0.000 0.851 558 Q CB 0.467 29.376 28.738 0.286 0.000 0.928 558 Q HN 0.169 nan 8.270 nan 0.000 0.459 559 Y N -0.196 120.094 120.300 -0.016 0.000 2.328 559 Y HA 0.236 4.786 4.550 0.000 0.000 0.337 559 Y C -1.721 174.155 175.900 -0.040 0.000 0.966 559 Y CA -3.181 54.906 58.100 -0.022 0.000 1.136 559 Y CB 1.071 39.522 38.460 -0.015 0.000 1.170 559 Y HN 0.059 nan 8.280 nan 0.000 0.470 560 P HA -0.203 nan 4.420 nan 0.000 0.215 560 P C 1.197 178.501 177.300 0.006 0.000 1.163 560 P CA 1.821 64.932 63.100 0.018 0.000 0.894 560 P CB 0.353 32.050 31.700 -0.006 0.000 0.791 561 R N -0.967 119.555 120.500 0.036 0.000 2.328 561 R HA 0.049 4.389 4.340 0.000 0.000 0.207 561 R C 0.563 176.827 176.300 -0.059 0.000 1.056 561 R CA 0.281 56.377 56.100 -0.007 0.000 1.016 561 R CB -0.625 29.679 30.300 0.007 0.000 0.872 561 R HN 0.290 nan 8.270 nan 0.000 0.471 562 L N 1.729 122.926 121.223 -0.043 0.000 2.268 562 L HA 0.140 4.480 4.340 0.000 0.000 0.289 562 L C 0.924 177.608 176.870 -0.310 0.000 1.064 562 L CA 0.058 54.796 54.840 -0.169 0.000 0.824 562 L CB 1.257 43.279 42.059 -0.061 0.000 1.202 562 L HN -0.007 nan 8.230 nan 0.000 0.433 563 Q N 2.761 122.299 119.800 -0.438 0.000 2.220 563 Q HA 0.325 4.665 4.340 0.000 0.000 0.205 563 Q C 0.822 176.429 176.000 -0.656 0.000 0.865 563 Q CA 0.175 55.719 55.803 -0.432 0.000 0.960 563 Q CB 1.167 29.747 28.738 -0.262 0.000 1.097 563 Q HN 0.967 nan 8.270 nan 0.000 0.493 564 G N -0.232 107.764 108.800 -1.339 0.000 2.342 564 G HA2 0.153 4.113 3.960 0.000 0.000 0.220 564 G HA3 0.153 4.113 3.960 0.000 0.000 0.220 564 G C -0.464 173.586 174.900 -1.417 0.000 1.243 564 G CA -0.729 43.317 45.100 -1.756 0.000 1.083 564 G HN 0.475 nan 8.290 nan 0.000 0.500 565 G N -2.112 106.177 108.800 -0.851 0.000 2.488 565 G HA2 0.684 4.644 3.960 0.000 0.000 0.301 565 G HA3 0.684 4.644 3.960 0.000 0.000 0.301 565 G C -1.960 172.768 174.900 -0.286 0.000 1.339 565 G CA -0.414 44.339 45.100 -0.579 0.000 0.803 565 G HN 1.078 nan 8.290 nan 0.000 0.482 566 F N 0.261 120.430 119.950 0.365 0.000 2.477 566 F HA 0.584 5.111 4.527 0.000 0.000 0.335 566 F C 0.502 176.661 175.800 0.598 0.000 1.130 566 F CA -0.760 57.512 58.000 0.454 0.000 0.948 566 F CB 2.318 41.491 39.000 0.287 0.000 1.154 566 F HN 0.254 nan 8.300 nan 0.000 0.439 567 V N 3.021 123.316 119.914 0.635 0.000 2.785 567 V HA 0.135 4.255 4.120 0.000 0.000 0.300 567 V C -0.631 175.736 176.094 0.456 0.000 1.062 567 V CA -0.679 61.852 62.300 0.385 0.000 1.029 567 V CB 1.647 33.634 31.823 0.273 0.000 1.024 567 V HN 0.776 nan 8.190 nan 0.000 0.477 568 W N 5.770 127.221 121.300 0.251 0.000 2.362 568 W HA 0.424 5.084 4.660 0.000 0.000 0.316 568 W C -1.005 175.543 176.519 0.050 0.000 1.024 568 W CA -0.643 56.855 57.345 0.255 0.000 1.270 568 W CB 1.618 31.380 29.460 0.503 0.000 1.273 568 W HN 0.922 nan 8.180 nan 0.000 0.424 569 D N 3.300 123.342 120.400 -0.596 0.000 3.224 569 D HA 0.155 4.795 4.640 0.000 0.000 0.268 569 D C 0.483 176.568 176.300 -0.358 0.000 1.310 569 D CA -0.299 53.252 54.000 -0.748 0.000 1.035 569 D CB 0.071 39.813 40.800 -1.763 0.000 1.293 569 D HN 0.434 nan 8.370 nan 0.000 0.630 570 W N 0.546 121.533 121.300 -0.520 0.000 2.842 570 W HA 0.336 4.996 4.660 0.000 0.000 0.267 570 W C -0.962 175.312 176.519 -0.408 0.000 1.219 570 W CA 0.219 57.316 57.345 -0.413 0.000 1.458 570 W CB 0.718 29.973 29.460 -0.341 0.000 1.006 570 W HN 0.129 nan 8.180 nan 0.000 0.603 571 V N 2.096 121.768 119.914 -0.404 0.000 2.733 571 V HA 0.286 4.406 4.120 0.000 0.000 0.306 571 V C -0.429 175.389 176.094 -0.460 0.000 1.084 571 V CA -1.082 60.935 62.300 -0.472 0.000 0.905 571 V CB 1.472 33.148 31.823 -0.245 0.000 1.010 571 V HN -0.123 nan 8.190 nan 0.000 0.424 572 D N 2.877 123.011 120.400 -0.444 0.000 2.443 572 D HA 0.087 4.727 4.640 0.000 0.000 0.239 572 D C -0.097 175.946 176.300 -0.428 0.000 1.136 572 D CA 0.447 54.224 54.000 -0.372 0.000 0.879 572 D CB 1.428 42.102 40.800 -0.210 0.000 1.195 572 D HN 0.627 nan 8.370 nan 0.000 0.443 573 Q N 1.199 120.701 119.800 -0.496 0.000 2.771 573 Q HA 0.199 4.539 4.340 0.000 0.000 0.239 573 Q C -0.559 175.400 176.000 -0.068 0.000 1.231 573 Q CA -0.410 54.978 55.803 -0.692 0.000 1.056 573 Q CB 0.567 28.920 28.738 -0.642 0.000 1.284 573 Q HN 0.376 nan 8.270 nan 0.000 0.558 574 S N 1.335 117.112 115.700 0.128 0.000 2.500 574 S HA 0.670 5.140 4.470 0.000 0.000 0.301 574 S C -0.527 174.275 174.600 0.336 0.000 1.092 574 S CA -0.822 57.569 58.200 0.319 0.000 1.030 574 S CB 1.315 64.629 63.200 0.189 0.000 1.031 574 S HN 0.393 nan 8.310 nan 0.000 0.483 575 L N 2.992 124.361 121.223 0.243 0.000 2.329 575 L HA 0.548 4.888 4.340 0.000 0.000 0.279 575 L C -0.154 176.640 176.870 -0.126 0.000 1.014 575 L CA -1.035 53.803 54.840 -0.003 0.000 0.814 575 L CB 1.448 43.391 42.059 -0.194 0.000 1.257 575 L HN 0.663 nan 8.230 nan 0.000 0.424 576 I N 3.115 123.563 120.570 -0.204 0.000 2.648 576 I HA 0.061 4.231 4.170 0.000 0.000 0.284 576 I C 0.351 176.128 176.117 -0.567 0.000 1.153 576 I CA 0.617 61.689 61.300 -0.381 0.000 1.426 576 I CB 0.582 38.390 38.000 -0.320 0.000 1.381 576 I HN 0.619 nan 8.210 nan 0.000 0.571 577 K N 4.364 124.164 120.400 -1.000 0.000 2.263 577 K HA 0.603 4.923 4.320 0.000 0.000 0.249 577 K C -1.710 174.151 176.600 -1.232 0.000 1.076 577 K CA -0.803 54.814 56.287 -1.117 0.000 0.884 577 K CB 1.995 33.492 32.500 -1.673 0.000 1.394 577 K HN 0.263 nan 8.250 nan 0.000 0.476 578 Y N 0.458 120.606 120.300 -0.252 0.000 2.477 578 Y HA 0.205 4.755 4.550 0.000 0.000 0.347 578 Y C -0.464 175.650 175.900 0.356 0.000 0.981 578 Y CA -1.114 57.050 58.100 0.107 0.000 1.033 578 Y CB 1.596 40.075 38.460 0.032 0.000 1.245 578 Y HN 0.621 nan 8.280 nan 0.000 0.455 579 D N -0.137 120.549 120.400 0.476 0.000 2.326 579 D HA 0.236 4.876 4.640 0.000 0.000 0.248 579 D C 0.401 176.809 176.300 0.179 0.000 1.001 579 D CA -0.665 53.498 54.000 0.271 0.000 0.961 579 D CB 1.081 41.960 40.800 0.131 0.000 1.183 579 D HN 0.632 nan 8.370 nan 0.000 0.502 580 E N -0.244 120.014 120.200 0.097 0.000 2.108 580 E HA -0.235 4.115 4.350 0.000 0.000 0.203 580 E C 0.893 177.526 176.600 0.055 0.000 1.022 580 E CA 1.705 58.139 56.400 0.058 0.000 0.823 580 E CB -0.177 29.536 29.700 0.023 0.000 0.744 580 E HN 0.460 nan 8.360 nan 0.000 0.456 581 N N -0.013 118.722 118.700 0.057 0.000 2.485 581 N HA 0.024 4.764 4.740 0.000 0.000 0.199 581 N C 0.522 176.075 175.510 0.072 0.000 1.236 581 N CA 0.927 54.007 53.050 0.050 0.000 0.852 581 N CB 0.821 39.328 38.487 0.033 0.000 1.018 581 N HN 0.264 nan 8.380 nan 0.000 0.457 582 G N 1.220 110.084 108.800 0.107 0.000 2.225 582 G HA2 -0.237 3.723 3.960 0.000 0.000 0.264 582 G HA3 -0.237 3.723 3.960 0.000 0.000 0.264 582 G C -0.605 174.433 174.900 0.231 0.000 1.060 582 G CA -0.452 44.732 45.100 0.141 0.000 0.833 582 G HN 0.377 nan 8.290 nan 0.000 0.498 583 N N 1.048 119.901 118.700 0.255 0.000 2.372 583 N HA 0.514 5.254 4.740 0.000 0.000 0.291 583 N C -2.872 172.797 175.510 0.264 0.000 1.024 583 N CA -1.356 51.830 53.050 0.226 0.000 0.873 583 N CB 2.750 41.329 38.487 0.153 0.000 1.206 583 N HN 0.112 nan 8.380 nan 0.000 0.486 584 P HA 0.333 nan 4.420 nan 0.000 0.281 584 P C -0.594 176.704 177.300 -0.003 0.000 1.249 584 P CA -0.336 62.609 63.100 -0.259 0.000 0.810 584 P CB 0.742 32.266 31.700 -0.293 0.000 1.008 585 W N -0.694 120.365 121.300 -0.402 0.000 3.256 585 W HA 0.386 5.046 4.660 0.000 0.000 0.324 585 W C -1.327 174.997 176.519 -0.326 0.000 1.196 585 W CA -1.024 56.081 57.345 -0.400 0.000 1.206 585 W CB 0.136 29.147 29.460 -0.749 0.000 1.385 585 W HN 0.108 nan 8.180 nan 0.000 0.522 586 S N 1.954 117.653 115.700 -0.001 0.000 2.498 586 S HA 0.464 4.934 4.470 0.000 0.000 0.281 586 S C 0.380 175.023 174.600 0.072 0.000 1.265 586 S CA 0.040 58.243 58.200 0.004 0.000 1.071 586 S CB 0.483 63.741 63.200 0.097 0.000 0.894 586 S HN 0.592 nan 8.310 nan 0.000 0.491 587 A N 3.087 125.859 122.820 -0.079 0.000 2.294 587 A HA 0.889 5.209 4.320 0.000 0.000 0.330 587 A C -0.557 177.221 177.584 0.323 0.000 1.133 587 A CA -0.665 51.363 52.037 -0.014 0.000 0.836 587 A CB 0.659 19.436 19.000 -0.371 0.000 1.190 587 A HN 0.870 nan 8.150 nan 0.000 0.492 588 Y N -1.216 119.313 120.300 0.382 0.000 3.071 588 Y HA 0.738 5.288 4.550 0.000 0.000 0.301 588 Y C 0.585 176.738 175.900 0.421 0.000 1.657 588 Y CA -1.296 57.009 58.100 0.342 0.000 1.078 588 Y CB -0.126 38.368 38.460 0.057 0.000 1.465 588 Y HN 1.091 nan 8.280 nan 0.000 0.496 589 G N 0.033 109.188 108.800 0.590 0.000 2.614 589 G HA2 0.317 4.277 3.960 0.000 0.000 0.229 589 G HA3 0.317 4.277 3.960 0.000 0.000 0.229 589 G C 1.160 176.397 174.900 0.562 0.000 1.232 589 G CA 0.777 46.185 45.100 0.514 0.000 0.857 589 G HN 2.047 nan 8.290 nan 0.000 0.560 590 G N 1.072 110.161 108.800 0.482 0.000 2.448 590 G HA2 -0.361 3.599 3.960 0.000 0.000 0.257 590 G HA3 -0.361 3.599 3.960 0.000 0.000 0.257 590 G C 0.783 175.888 174.900 0.341 0.000 0.997 590 G CA 0.993 46.321 45.100 0.381 0.000 0.635 590 G HN 0.820 nan 8.290 nan 0.000 0.556 591 D N -0.070 120.522 120.400 0.319 0.000 2.813 591 D HA 0.301 4.941 4.640 0.000 0.000 0.248 591 D C 0.683 176.765 176.300 -0.364 0.000 1.254 591 D CA 0.406 54.431 54.000 0.042 0.000 0.921 591 D CB -0.493 40.270 40.800 -0.062 0.000 1.118 591 D HN 0.464 nan 8.370 nan 0.000 0.450 592 F N -1.201 118.837 119.950 0.147 0.000 3.021 592 F HA 0.241 4.768 4.527 0.000 0.000 0.376 592 F C 1.782 177.642 175.800 0.099 0.000 1.075 592 F CA -0.064 57.988 58.000 0.086 0.000 1.073 592 F CB 1.050 40.090 39.000 0.067 0.000 1.243 592 F HN 0.151 nan 8.300 nan 0.000 0.540 593 G N 0.433 109.397 108.800 0.273 0.000 2.231 593 G HA2 -0.203 3.757 3.960 0.000 0.000 0.206 593 G HA3 -0.203 3.757 3.960 0.000 0.000 0.206 593 G C -0.355 174.680 174.900 0.224 0.000 0.996 593 G CA -0.169 45.054 45.100 0.205 0.000 0.645 593 G HN 0.296 nan 8.290 nan 0.000 0.498 594 D N 1.251 121.833 120.400 0.302 0.000 2.472 594 D HA 0.430 5.070 4.640 0.000 0.000 0.248 594 D C -0.224 176.208 176.300 0.221 0.000 1.174 594 D CA 0.882 55.052 54.000 0.284 0.000 0.883 594 D CB 1.032 42.059 40.800 0.378 0.000 1.149 594 D HN 0.107 nan 8.370 nan 0.000 0.488 595 T N 2.764 117.416 114.554 0.163 0.000 3.295 595 T HA 0.352 4.702 4.350 0.000 0.000 0.331 595 T C -2.324 172.420 174.700 0.074 0.000 1.142 595 T CA -0.985 61.182 62.100 0.113 0.000 1.078 595 T CB 1.789 70.719 68.868 0.104 0.000 1.150 595 T HN 0.385 nan 8.240 nan 0.000 0.465 596 P HA 0.456 nan 4.420 nan 0.000 0.273 596 P C -0.936 176.380 177.300 0.026 0.000 1.250 596 P CA -0.502 62.610 63.100 0.019 0.000 0.793 596 P CB 0.576 32.254 31.700 -0.037 0.000 1.011 597 N N -1.071 117.648 118.700 0.032 0.000 2.708 597 N HA 0.143 4.883 4.740 0.000 0.000 0.257 597 N C -1.059 174.476 175.510 0.041 0.000 1.373 597 N CA -0.541 52.540 53.050 0.052 0.000 0.843 597 N CB 1.282 39.897 38.487 0.215 0.000 1.503 597 N HN 0.260 nan 8.380 nan 0.000 0.504 598 D N -0.221 120.241 120.400 0.104 0.000 2.501 598 D HA 0.166 4.806 4.640 0.000 0.000 0.226 598 D C 0.177 176.678 176.300 0.334 0.000 1.198 598 D CA -0.085 54.032 54.000 0.195 0.000 0.830 598 D CB 1.077 41.912 40.800 0.058 0.000 1.014 598 D HN 0.596 nan 8.370 nan 0.000 0.496 599 R N -0.311 120.353 120.500 0.274 0.000 3.952 599 R HA -0.328 4.012 4.340 0.000 0.000 0.406 599 R C 1.179 177.325 176.300 -0.256 0.000 0.241 599 R CA 1.097 57.261 56.100 0.107 0.000 1.300 599 R CB -1.378 28.897 30.300 -0.043 0.000 1.045 599 R HN -0.016 nan 8.270 nan 0.000 0.542 600 Q N 0.159 119.464 119.800 -0.825 0.000 2.234 600 Q HA -0.044 4.296 4.340 0.000 0.000 0.206 600 Q C 1.781 177.383 176.000 -0.664 0.000 0.980 600 Q CA 1.978 57.155 55.803 -1.043 0.000 0.869 600 Q CB -0.287 27.711 28.738 -1.234 0.000 0.912 600 Q HN 0.398 nan 8.270 nan 0.000 0.436 601 F N 0.869 120.625 119.950 -0.323 0.000 2.146 601 F HA -0.355 4.172 4.527 0.000 0.000 0.298 601 F C 2.108 177.756 175.800 -0.254 0.000 1.053 601 F CA 1.357 59.266 58.000 -0.151 0.000 1.285 601 F CB -0.922 38.092 39.000 0.022 0.000 1.039 601 F HN 0.343 nan 8.300 nan 0.000 0.497 602 C N -1.262 117.698 119.300 -0.566 0.000 2.511 602 C HA 0.180 4.640 4.460 0.000 0.000 0.277 602 C C 0.824 175.519 174.990 -0.492 0.000 1.451 602 C CA -0.488 58.032 59.018 -0.829 0.000 1.735 602 C CB -2.222 24.584 27.740 -1.556 0.000 1.704 602 C HN 0.238 nan 8.230 nan 0.000 0.571 603 M N 2.774 122.142 119.600 -0.386 0.000 2.046 603 M HA 0.397 4.877 4.480 0.000 0.000 0.309 603 M C -0.543 175.552 176.300 -0.342 0.000 0.935 603 M CA 0.134 55.231 55.300 -0.339 0.000 0.915 603 M CB 0.800 33.250 32.600 -0.251 0.000 1.474 603 M HN 0.162 nan 8.290 nan 0.000 0.415 604 N N 1.427 119.899 118.700 -0.379 0.000 2.381 604 N HA 0.154 4.894 4.740 0.000 0.000 0.257 604 N C 0.033 175.239 175.510 -0.507 0.000 1.409 604 N CA -0.236 52.547 53.050 -0.445 0.000 0.836 604 N CB 1.322 39.525 38.487 -0.473 0.000 1.384 604 N HN 0.796 nan 8.380 nan 0.000 0.490 605 G N 0.286 108.745 108.800 -0.567 0.000 2.580 605 G HA2 0.474 4.434 3.960 0.000 0.000 0.278 605 G HA3 0.474 4.434 3.960 0.000 0.000 0.278 605 G C 0.753 175.172 174.900 -0.800 0.000 1.212 605 G CA -0.498 44.204 45.100 -0.664 0.000 0.939 605 G HN 0.132 nan 8.290 nan 0.000 0.513 606 L N -0.401 120.354 121.223 -0.780 0.000 2.607 606 L HA 0.255 4.595 4.340 0.000 0.000 0.228 606 L C 0.371 176.669 176.870 -0.953 0.000 1.123 606 L CA -0.001 54.411 54.840 -0.714 0.000 0.890 606 L CB -0.080 41.700 42.059 -0.464 0.000 1.103 606 L HN 0.380 nan 8.230 nan 0.000 0.468 607 V N -5.685 113.509 119.914 -1.200 0.000 3.216 607 V HA 0.493 4.613 4.120 0.000 0.000 0.302 607 V C -0.727 174.843 176.094 -0.873 0.000 1.286 607 V CA -1.180 60.513 62.300 -1.011 0.000 1.048 607 V CB 1.712 32.995 31.823 -0.899 0.000 1.081 607 V HN -0.110 nan 8.190 nan 0.000 0.442 608 F N 1.897 121.672 119.950 -0.291 0.000 2.538 608 F HA 0.598 5.125 4.527 0.000 0.000 0.371 608 F C 1.841 177.528 175.800 -0.189 0.000 1.087 608 F CA 0.568 58.495 58.000 -0.122 0.000 1.250 608 F CB 1.006 40.007 39.000 0.001 0.000 1.110 608 F HN 0.874 nan 8.300 nan 0.000 0.570 609 A N 2.302 125.162 122.820 0.068 0.000 2.009 609 A HA -0.309 4.011 4.320 0.000 0.000 0.222 609 A C 1.660 179.208 177.584 -0.059 0.000 1.175 609 A CA 2.266 54.296 52.037 -0.011 0.000 0.651 609 A CB -1.190 17.843 19.000 0.055 0.000 0.815 609 A HN 0.887 nan 8.150 nan 0.000 0.459 610 D N -3.489 116.899 120.400 -0.020 0.000 2.349 610 D HA 0.239 4.879 4.640 0.000 0.000 0.224 610 D C 0.629 176.911 176.300 -0.030 0.000 1.029 610 D CA 0.147 54.114 54.000 -0.054 0.000 0.879 610 D CB 0.057 40.835 40.800 -0.037 0.000 0.906 610 D HN 0.233 nan 8.370 nan 0.000 0.528 611 R N -0.926 119.551 120.500 -0.037 0.000 3.762 611 R HA -0.113 4.227 4.340 0.000 0.000 0.328 611 R C -0.712 175.577 176.300 -0.019 0.000 1.164 611 R CA 1.097 57.163 56.100 -0.057 0.000 0.861 611 R CB -3.219 27.081 30.300 -0.001 0.000 1.408 611 R HN 0.545 nan 8.270 nan 0.000 0.502 612 T N -2.235 112.355 114.554 0.061 0.000 2.829 612 T HA 0.734 5.084 4.350 0.000 0.000 0.282 612 T C -2.413 172.386 174.700 0.165 0.000 0.990 612 T CA -2.305 59.875 62.100 0.133 0.000 1.028 612 T CB 2.511 71.474 68.868 0.159 0.000 0.951 612 T HN -0.217 nan 8.240 nan 0.000 0.460 613 P HA 0.288 nan 4.420 nan 0.000 0.272 613 P C -0.367 176.977 177.300 0.074 0.000 1.223 613 P CA -0.230 62.856 63.100 -0.023 0.000 0.784 613 P CB 0.328 32.019 31.700 -0.014 0.000 0.923 614 H N 1.650 120.517 119.070 -0.338 0.000 2.517 614 H HA 0.273 4.829 4.556 0.000 0.000 0.346 614 H C -1.323 173.897 175.328 -0.180 0.000 1.222 614 H CA -1.911 53.939 56.048 -0.330 0.000 1.314 614 H CB -0.350 29.162 29.762 -0.416 0.000 1.609 614 H HN 0.266 nan 8.280 nan 0.000 0.571 615 P HA -0.018 nan 4.420 nan 0.000 0.220 615 P C 1.032 178.300 177.300 -0.053 0.000 1.152 615 P CA 1.480 64.544 63.100 -0.061 0.000 0.812 615 P CB 0.038 31.688 31.700 -0.083 0.000 0.792 616 A N 0.498 123.280 122.820 -0.064 0.000 1.927 616 A HA -0.230 4.090 4.320 0.000 0.000 0.220 616 A C 2.151 179.658 177.584 -0.130 0.000 1.185 616 A CA 1.775 53.734 52.037 -0.130 0.000 0.639 616 A CB -1.797 17.085 19.000 -0.196 0.000 0.820 616 A HN 0.163 nan 8.150 nan 0.000 0.451 617 L N -0.221 120.943 121.223 -0.098 0.000 2.151 617 L HA -0.209 4.131 4.340 0.000 0.000 0.215 617 L C 2.502 179.392 176.870 0.034 0.000 1.084 617 L CA 2.683 57.504 54.840 -0.032 0.000 0.764 617 L CB -0.813 41.226 42.059 -0.033 0.000 0.891 617 L HN 0.431 nan 8.230 nan 0.000 0.435 618 T N -1.417 113.157 114.554 0.033 0.000 2.821 618 T HA -0.180 4.170 4.350 0.000 0.000 0.267 618 T C 1.709 176.495 174.700 0.144 0.000 1.046 618 T CA 1.313 63.485 62.100 0.120 0.000 1.139 618 T CB -0.094 68.828 68.868 0.088 0.000 0.871 618 T HN 0.361 nan 8.240 nan 0.000 0.454 619 E N 1.495 121.723 120.200 0.046 0.000 2.051 619 E HA -0.049 4.301 4.350 0.000 0.000 0.192 619 E C 2.201 178.819 176.600 0.029 0.000 0.991 619 E CA 1.380 57.810 56.400 0.051 0.000 0.799 619 E CB -0.519 29.160 29.700 -0.035 0.000 0.748 619 E HN 0.419 nan 8.360 nan 0.000 0.449 620 A N 1.092 123.833 122.820 -0.132 0.000 1.845 620 A HA -0.257 4.063 4.320 0.000 0.000 0.215 620 A C 2.195 179.696 177.584 -0.138 0.000 1.195 620 A CA 2.118 54.078 52.037 -0.128 0.000 0.616 620 A CB -0.802 18.110 19.000 -0.148 0.000 0.832 620 A HN 0.294 nan 8.150 nan 0.000 0.443 621 K N -1.193 119.182 120.400 -0.041 0.000 2.144 621 K HA -0.295 4.025 4.320 0.000 0.000 0.209 621 K C 2.062 178.565 176.600 -0.162 0.000 1.047 621 K CA 2.055 58.321 56.287 -0.036 0.000 0.927 621 K CB -0.378 32.225 32.500 0.173 0.000 0.716 621 K HN 0.811 nan 8.250 nan 0.000 0.454 622 H N -0.666 118.241 119.070 -0.272 0.000 2.284 622 H HA -0.091 4.465 4.556 0.000 0.000 0.304 622 H C 2.066 177.118 175.328 -0.460 0.000 1.069 622 H CA 1.262 56.993 56.048 -0.528 0.000 1.327 622 H CB 0.272 29.789 29.762 -0.409 0.000 1.387 622 H HN 0.199 nan 8.280 nan 0.000 0.498 623 Q N 0.958 120.482 119.800 -0.459 0.000 2.062 623 Q HA -0.184 4.156 4.340 0.000 0.000 0.209 623 Q C 1.995 177.437 176.000 -0.930 0.000 0.996 623 Q CA 1.643 57.084 55.803 -0.602 0.000 0.859 623 Q CB -0.540 27.968 28.738 -0.383 0.000 0.920 623 Q HN 0.667 nan 8.270 nan 0.000 0.415 624 Q N 1.232 120.373 119.800 -1.097 0.000 2.452 624 Q HA -0.043 4.297 4.340 0.000 0.000 0.214 624 Q C 0.029 175.455 176.000 -0.957 0.000 0.966 624 Q CA -0.124 54.929 55.803 -1.250 0.000 0.964 624 Q CB -0.232 27.821 28.738 -1.142 0.000 0.992 624 Q HN 0.470 nan 8.270 nan 0.000 0.517 625 Q N -0.677 118.683 119.800 -0.733 0.000 2.327 625 Q HA 0.074 4.414 4.340 0.000 0.000 0.254 625 Q C -0.217 175.400 176.000 -0.638 0.000 0.952 625 Q CA -0.276 55.199 55.803 -0.545 0.000 0.884 625 Q CB 0.489 29.051 28.738 -0.294 0.000 1.224 625 Q HN 0.130 nan 8.270 nan 0.000 0.422 626 F N 0.695 120.371 119.950 -0.456 0.000 2.333 626 F HA 0.034 4.561 4.527 0.000 0.000 0.300 626 F C 0.221 175.495 175.800 -0.876 0.000 1.083 626 F CA 0.567 58.078 58.000 -0.815 0.000 1.395 626 F CB 0.071 38.186 39.000 -1.475 0.000 1.056 626 F HN 0.395 nan 8.300 nan 0.000 0.529 627 F N 0.509 120.346 119.950 -0.189 0.000 2.436 627 F HA 0.432 4.959 4.527 0.000 0.000 0.340 627 F C 0.060 175.551 175.800 -0.516 0.000 1.113 627 F CA -1.112 56.688 58.000 -0.334 0.000 1.022 627 F CB 0.907 39.709 39.000 -0.330 0.000 1.128 627 F HN -0.285 nan 8.300 nan 0.000 0.466 628 Q N 3.477 123.042 119.800 -0.392 0.000 2.309 628 Q HA 0.518 4.858 4.340 0.000 0.000 0.264 628 Q C -1.193 174.539 176.000 -0.445 0.000 1.008 628 Q CA -0.621 54.994 55.803 -0.313 0.000 0.853 628 Q CB 2.613 31.285 28.738 -0.109 0.000 1.314 628 Q HN 0.501 nan 8.270 nan 0.000 0.448 629 F N 0.321 120.404 119.950 0.222 0.000 2.523 629 F HA 0.643 5.170 4.527 0.000 0.000 0.329 629 F C 0.535 176.569 175.800 0.390 0.000 1.061 629 F CA -0.885 57.324 58.000 0.349 0.000 0.967 629 F CB 1.700 41.033 39.000 0.556 0.000 1.218 629 F HN 0.134 nan 8.300 nan 0.000 0.480 630 R N 1.321 122.103 120.500 0.470 0.000 2.584 630 R HA 0.610 4.950 4.340 0.000 0.000 0.276 630 R C -2.125 174.155 176.300 -0.033 0.000 1.046 630 R CA -1.069 55.180 56.100 0.248 0.000 0.906 630 R CB 2.811 33.191 30.300 0.134 0.000 1.215 630 R HN 0.597 nan 8.270 nan 0.000 0.449 631 L N 1.018 122.055 121.223 -0.309 0.000 2.346 631 L HA 0.587 4.927 4.340 0.000 0.000 0.276 631 L C -1.047 175.632 176.870 -0.318 0.000 1.006 631 L CA 0.032 54.529 54.840 -0.571 0.000 0.817 631 L CB 2.114 43.418 42.059 -1.258 0.000 1.272 631 L HN 0.507 nan 8.230 nan 0.000 0.421 632 S N 3.167 118.719 115.700 -0.246 0.000 2.720 632 S HA 0.682 5.152 4.470 0.000 0.000 0.278 632 S C 0.175 174.684 174.600 -0.151 0.000 1.172 632 S CA 0.162 58.268 58.200 -0.157 0.000 1.019 632 S CB 0.567 63.709 63.200 -0.098 0.000 1.049 632 S HN 1.484 nan 8.310 nan 0.000 0.483 633 G N 4.457 113.174 108.800 -0.139 0.000 2.596 633 G HA2 -0.312 3.648 3.960 0.000 0.000 0.304 633 G HA3 -0.312 3.648 3.960 0.000 0.000 0.304 633 G C -0.016 174.790 174.900 -0.157 0.000 1.189 633 G CA 1.010 46.037 45.100 -0.122 0.000 0.986 633 G HN 0.910 nan 8.290 nan 0.000 0.548 634 Q N 0.848 120.560 119.800 -0.148 0.000 2.155 634 Q HA 0.411 4.751 4.340 0.000 0.000 0.220 634 Q C 0.341 176.227 176.000 -0.190 0.000 0.819 634 Q CA 0.791 56.486 55.803 -0.179 0.000 1.032 634 Q CB -0.237 28.405 28.738 -0.160 0.000 1.151 634 Q HN 0.730 nan 8.270 nan 0.000 0.487 635 T N -0.026 114.427 114.554 -0.169 0.000 2.788 635 T HA 0.639 4.989 4.350 0.000 0.000 0.296 635 T C 0.048 174.656 174.700 -0.154 0.000 1.009 635 T CA -0.515 61.501 62.100 -0.139 0.000 0.949 635 T CB 0.969 69.783 68.868 -0.090 0.000 0.946 635 T HN 0.162 nan 8.240 nan 0.000 0.453 636 I N 3.333 123.825 120.570 -0.129 0.000 2.371 636 I HA 0.265 4.435 4.170 0.000 0.000 0.290 636 I C 0.649 176.793 176.117 0.045 0.000 1.028 636 I CA -0.594 60.665 61.300 -0.068 0.000 1.345 636 I CB 0.951 38.957 38.000 0.010 0.000 1.407 636 I HN 0.728 nan 8.210 nan 0.000 0.501 637 E N 7.233 127.481 120.200 0.080 0.000 2.113 637 E HA 0.478 4.828 4.350 0.000 0.000 0.273 637 E C -1.601 175.083 176.600 0.141 0.000 0.924 637 E CA -0.675 55.776 56.400 0.087 0.000 0.764 637 E CB 1.479 31.207 29.700 0.046 0.000 1.104 637 E HN 0.360 nan 8.360 nan 0.000 0.406 638 V N 3.953 123.928 119.914 0.101 0.000 2.427 638 V HA 0.415 4.535 4.120 0.000 0.000 0.286 638 V C -0.006 176.084 176.094 -0.006 0.000 1.034 638 V CA -0.660 61.644 62.300 0.005 0.000 0.893 638 V CB 1.629 33.480 31.823 0.048 0.000 0.982 638 V HN 0.812 nan 8.190 nan 0.000 0.452 639 T N 3.028 117.544 114.554 -0.062 0.000 2.841 639 T HA 0.401 4.751 4.350 0.000 0.000 0.283 639 T C -0.208 174.472 174.700 -0.033 0.000 1.000 639 T CA -0.299 61.782 62.100 -0.032 0.000 0.977 639 T CB 1.653 70.489 68.868 -0.053 0.000 0.979 639 T HN 0.734 nan 8.240 nan 0.000 0.446 640 S N 1.596 117.282 115.700 -0.023 0.000 2.508 640 S HA 0.286 4.756 4.470 0.000 0.000 0.284 640 S C 0.684 175.161 174.600 -0.205 0.000 1.192 640 S CA -0.578 57.538 58.200 -0.139 0.000 1.070 640 S CB 0.737 63.930 63.200 -0.011 0.000 1.004 640 S HN 0.725 nan 8.310 nan 0.000 0.493 641 E N 2.609 122.592 120.200 -0.362 0.000 2.481 641 E HA 0.088 4.438 4.350 0.000 0.000 0.198 641 E C -0.818 175.648 176.600 -0.222 0.000 1.027 641 E CA -0.065 56.182 56.400 -0.255 0.000 0.900 641 E CB 0.291 29.841 29.700 -0.249 0.000 0.993 641 E HN 0.647 nan 8.360 nan 0.000 0.482 642 Y N 0.719 120.899 120.300 -0.201 0.000 2.425 642 Y HA 0.019 4.569 4.550 0.000 0.000 0.331 642 Y C 1.404 177.122 175.900 -0.304 0.000 1.157 642 Y CA 0.208 58.145 58.100 -0.271 0.000 1.372 642 Y CB 0.627 38.905 38.460 -0.305 0.000 1.253 642 Y HN -0.047 nan 8.280 nan 0.000 0.536 643 L N 1.434 122.455 121.223 -0.336 0.000 2.298 643 L HA -0.030 4.310 4.340 0.000 0.000 0.209 643 L C 0.936 177.373 176.870 -0.722 0.000 1.084 643 L CA 0.687 55.111 54.840 -0.694 0.000 0.816 643 L CB -0.134 41.147 42.059 -1.298 0.000 0.967 643 L HN 0.547 nan 8.230 nan 0.000 0.460 644 F N -0.079 119.869 119.950 -0.004 0.000 2.490 644 F HA 0.174 4.701 4.527 0.000 0.000 0.280 644 F C 1.559 177.321 175.800 -0.064 0.000 1.030 644 F CA -0.550 57.418 58.000 -0.052 0.000 1.367 644 F CB -0.357 38.591 39.000 -0.086 0.000 1.131 644 F HN -0.080 nan 8.300 nan 0.000 0.632 645 R N 0.283 120.778 120.500 -0.007 0.000 2.573 645 R HA 0.408 4.748 4.340 0.000 0.000 0.272 645 R C -0.952 175.331 176.300 -0.030 0.000 1.009 645 R CA -0.570 55.487 56.100 -0.072 0.000 1.059 645 R CB 0.819 30.965 30.300 -0.257 0.000 1.112 645 R HN 0.169 nan 8.270 nan 0.000 0.517 646 H N 0.196 119.231 119.070 -0.060 0.000 2.499 646 H HA 0.163 4.719 4.556 0.000 0.000 0.352 646 H C -0.305 175.040 175.328 0.029 0.000 1.237 646 H CA -0.136 55.921 56.048 0.014 0.000 1.343 646 H CB 1.338 31.114 29.762 0.024 0.000 1.578 646 H HN 0.749 nan 8.280 nan 0.000 0.577 647 S N 1.713 117.388 115.700 -0.042 0.000 3.065 647 S HA 0.029 4.499 4.470 0.000 0.000 0.311 647 S C -0.476 174.231 174.600 0.178 0.000 1.204 647 S CA -0.363 57.920 58.200 0.140 0.000 1.040 647 S CB -0.655 62.634 63.200 0.149 0.000 1.436 647 S HN 0.672 nan 8.310 nan 0.000 0.532 648 D N 0.888 121.380 120.400 0.153 0.000 2.525 648 D HA 0.207 4.847 4.640 0.000 0.000 0.229 648 D C 0.190 176.538 176.300 0.080 0.000 1.202 648 D CA -0.504 53.572 54.000 0.126 0.000 0.828 648 D CB -0.251 40.608 40.800 0.099 0.000 1.008 648 D HN 0.467 nan 8.370 nan 0.000 0.493 649 N N 0.118 118.869 118.700 0.085 0.000 2.542 649 N HA 0.079 4.819 4.740 0.000 0.000 0.253 649 N C -1.533 174.022 175.510 0.075 0.000 1.461 649 N CA -0.091 53.000 53.050 0.068 0.000 1.115 649 N CB 0.334 38.859 38.487 0.063 0.000 1.439 649 N HN 0.021 nan 8.380 nan 0.000 0.533 650 E N 0.275 120.507 120.200 0.054 0.000 2.241 650 E HA 0.437 4.787 4.350 0.000 0.000 0.263 650 E C -1.519 175.061 176.600 -0.034 0.000 0.882 650 E CA -0.596 55.808 56.400 0.006 0.000 0.769 650 E CB 1.945 31.624 29.700 -0.034 0.000 1.185 650 E HN 0.010 nan 8.360 nan 0.000 0.415 651 L N 3.897 125.076 121.223 -0.072 0.000 2.325 651 L HA 0.519 4.859 4.340 0.000 0.000 0.281 651 L C -1.447 175.303 176.870 -0.199 0.000 1.004 651 L CA -0.837 53.928 54.840 -0.126 0.000 0.823 651 L CB 1.458 43.406 42.059 -0.184 0.000 1.236 651 L HN 0.589 nan 8.230 nan 0.000 0.415 652 L N 4.970 126.137 121.223 -0.094 0.000 2.275 652 L HA 0.451 4.791 4.340 0.000 0.000 0.288 652 L C -0.746 176.159 176.870 0.059 0.000 1.046 652 L CA 0.011 54.849 54.840 -0.003 0.000 0.805 652 L CB 0.596 42.736 42.059 0.134 0.000 1.193 652 L HN 0.629 nan 8.230 nan 0.000 0.426 653 H N 5.638 124.777 119.070 0.115 0.000 2.504 653 H HA 0.358 4.914 4.556 0.000 0.000 0.322 653 H C -1.224 174.174 175.328 0.118 0.000 1.055 653 H CA -0.716 55.356 56.048 0.040 0.000 1.231 653 H CB 0.817 30.566 29.762 -0.022 0.000 1.417 653 H HN 0.651 nan 8.280 nan 0.000 0.472 654 W N 5.160 126.568 121.300 0.179 0.000 2.702 654 W HA 0.563 5.223 4.660 0.000 0.000 0.331 654 W C -1.842 174.733 176.519 0.094 0.000 1.049 654 W CA -1.181 56.242 57.345 0.130 0.000 1.230 654 W CB 1.376 30.910 29.460 0.122 0.000 1.408 654 W HN 0.384 nan 8.180 nan 0.000 0.492 655 M N 4.040 123.847 119.600 0.344 0.000 2.446 655 M HA 0.514 4.994 4.480 0.000 0.000 0.294 655 M C -2.136 174.377 176.300 0.354 0.000 1.158 655 M CA -0.564 54.854 55.300 0.195 0.000 0.899 655 M CB 2.492 35.084 32.600 -0.013 0.000 1.687 655 M HN 0.307 nan 8.290 nan 0.000 0.455 656 V N 3.535 123.654 119.914 0.342 0.000 2.435 656 V HA 0.922 5.042 4.120 0.000 0.000 0.290 656 V C -0.322 175.885 176.094 0.187 0.000 1.030 656 V CA -0.483 61.993 62.300 0.293 0.000 0.881 656 V CB 1.340 33.344 31.823 0.303 0.000 0.983 656 V HN 0.940 nan 8.190 nan 0.000 0.445 657 A N 4.660 127.598 122.820 0.197 0.000 2.488 657 A HA 0.765 5.085 4.320 0.000 0.000 0.298 657 A C -1.609 176.096 177.584 0.200 0.000 1.044 657 A CA -0.537 51.588 52.037 0.147 0.000 0.693 657 A CB 1.610 20.662 19.000 0.087 0.000 1.272 657 A HN 0.680 nan 8.150 nan 0.000 0.402 658 L N 2.191 123.501 121.223 0.144 0.000 2.259 658 L HA 0.486 4.826 4.340 0.000 0.000 0.288 658 L C -0.165 176.798 176.870 0.156 0.000 1.051 658 L CA 0.421 55.357 54.840 0.160 0.000 0.824 658 L CB -0.269 41.853 42.059 0.105 0.000 1.206 658 L HN 0.820 nan 8.230 nan 0.000 0.429 659 D N 4.427 124.980 120.400 0.255 0.000 2.882 659 D HA -0.211 4.429 4.640 0.000 0.000 0.229 659 D C 1.157 177.478 176.300 0.035 0.000 1.167 659 D CA 1.551 55.686 54.000 0.226 0.000 0.759 659 D CB -1.080 39.833 40.800 0.188 0.000 1.088 659 D HN 1.121 nan 8.370 nan 0.000 0.425 660 G N -1.293 107.492 108.800 -0.024 0.000 2.201 660 G HA2 -0.318 3.642 3.960 0.000 0.000 0.212 660 G HA3 -0.318 3.642 3.960 0.000 0.000 0.212 660 G C 0.218 175.044 174.900 -0.124 0.000 0.994 660 G CA 0.101 45.090 45.100 -0.185 0.000 0.644 660 G HN 0.365 nan 8.290 nan 0.000 0.508 661 K N 2.288 122.666 120.400 -0.038 0.000 2.231 661 K HA 0.500 4.820 4.320 0.000 0.000 0.275 661 K C -2.472 174.124 176.600 -0.006 0.000 1.105 661 K CA -1.959 54.312 56.287 -0.027 0.000 0.931 661 K CB 1.282 33.781 32.500 -0.001 0.000 1.296 661 K HN 0.082 nan 8.250 nan 0.000 0.446 662 P HA -0.041 nan 4.420 nan 0.000 0.259 662 P C -0.269 177.030 177.300 -0.003 0.000 1.211 662 P CA 0.364 63.448 63.100 -0.026 0.000 0.810 662 P CB 0.379 32.038 31.700 -0.068 0.000 0.815 663 L N 1.945 123.189 121.223 0.035 0.000 2.515 663 L HA 0.512 4.852 4.340 0.000 0.000 0.223 663 L C 0.934 177.840 176.870 0.060 0.000 1.079 663 L CA 0.183 55.051 54.840 0.047 0.000 0.857 663 L CB -0.010 42.089 42.059 0.067 0.000 1.050 663 L HN 0.248 nan 8.230 nan 0.000 0.476 664 A N -0.715 122.152 122.820 0.079 0.000 2.555 664 A HA 0.741 5.061 4.320 0.000 0.000 0.297 664 A C -0.788 176.748 177.584 -0.080 0.000 1.060 664 A CA -0.331 51.759 52.037 0.088 0.000 0.710 664 A CB 1.444 20.594 19.000 0.251 0.000 1.282 664 A HN -0.063 nan 8.150 nan 0.000 0.399 665 S N -0.602 114.841 115.700 -0.429 0.000 2.715 665 S HA 1.007 5.477 4.470 0.000 0.000 0.307 665 S C 0.144 173.803 174.600 -1.569 0.000 1.119 665 S CA -0.092 57.531 58.200 -0.962 0.000 0.937 665 S CB 2.060 64.938 63.200 -0.538 0.000 1.150 665 S HN 2.072 nan 8.310 nan 0.000 0.521 666 G N 0.009 107.790 108.800 -1.698 0.000 2.506 666 G HA2 0.590 4.550 3.960 0.000 0.000 0.292 666 G HA3 0.590 4.550 3.960 0.000 0.000 0.292 666 G C -2.353 172.244 174.900 -0.505 0.000 1.425 666 G CA -0.639 43.844 45.100 -1.029 0.000 0.788 666 G HN 0.526 nan 8.290 nan 0.000 0.490 667 E N -1.285 118.935 120.200 0.034 0.000 2.366 667 E HA 0.616 4.966 4.350 0.000 0.000 0.278 667 E C -1.519 175.241 176.600 0.266 0.000 0.923 667 E CA -0.889 55.656 56.400 0.243 0.000 0.761 667 E CB 3.171 33.014 29.700 0.239 0.000 1.231 667 E HN 0.480 nan 8.360 nan 0.000 0.443 668 V N 1.317 121.369 119.914 0.230 0.000 2.789 668 V HA 0.320 4.440 4.120 0.000 0.000 0.300 668 V C -2.650 173.505 176.094 0.102 0.000 1.184 668 V CA -1.773 60.634 62.300 0.178 0.000 0.930 668 V CB 1.902 33.848 31.823 0.205 0.000 1.041 668 V HN 0.560 nan 8.190 nan 0.000 0.430 669 P HA 0.285 nan 4.420 nan 0.000 0.276 669 P C -0.566 176.762 177.300 0.046 0.000 1.235 669 P CA -0.144 62.987 63.100 0.051 0.000 0.772 669 P CB 1.115 32.852 31.700 0.061 0.000 0.871 670 L N 3.424 124.654 121.223 0.011 0.000 2.319 670 L HA 0.192 4.532 4.340 0.000 0.000 0.280 670 L C 0.516 177.398 176.870 0.020 0.000 1.099 670 L CA 0.482 55.312 54.840 -0.016 0.000 0.828 670 L CB 0.397 42.376 42.059 -0.134 0.000 1.150 670 L HN 0.448 nan 8.230 nan 0.000 0.442 671 D N 3.671 124.085 120.400 0.025 0.000 2.468 671 D HA 0.342 4.982 4.640 0.000 0.000 0.272 671 D C -1.024 175.234 176.300 -0.070 0.000 1.221 671 D CA -0.313 53.714 54.000 0.045 0.000 0.860 671 D CB 0.831 41.717 40.800 0.143 0.000 1.190 671 D HN 0.132 nan 8.370 nan 0.000 0.509 672 V N -0.055 119.715 119.914 -0.240 0.000 2.680 672 V HA 0.976 5.096 4.120 0.000 0.000 0.309 672 V C 0.499 176.269 176.094 -0.541 0.000 1.052 672 V CA -1.223 60.953 62.300 -0.208 0.000 0.908 672 V CB 1.325 33.165 31.823 0.027 0.000 1.001 672 V HN 0.436 nan 8.190 nan 0.000 0.431 673 A N 4.579 127.249 122.820 -0.250 0.000 2.322 673 A HA 0.802 5.122 4.320 0.000 0.000 0.269 673 A C -2.306 175.283 177.584 0.009 0.000 1.094 673 A CA -1.759 50.258 52.037 -0.033 0.000 0.807 673 A CB -0.055 19.016 19.000 0.119 0.000 1.047 673 A HN 0.818 nan 8.150 nan 0.000 0.487 674 P HA -0.001 nan 4.420 nan 0.000 0.262 674 P C -0.421 176.880 177.300 0.001 0.000 1.182 674 P CA 0.632 63.752 63.100 0.033 0.000 0.761 674 P CB 0.315 32.030 31.700 0.025 0.000 0.795 675 Q N -0.792 118.991 119.800 -0.029 0.000 2.393 675 Q HA -0.198 4.142 4.340 0.000 0.000 0.235 675 Q C 0.841 176.831 176.000 -0.016 0.000 0.823 675 Q CA 1.268 57.047 55.803 -0.041 0.000 1.284 675 Q CB -2.194 26.515 28.738 -0.048 0.000 1.669 675 Q HN 0.785 nan 8.270 nan 0.000 0.597 676 G N 0.451 109.252 108.800 0.001 0.000 2.543 676 G HA2 0.513 4.473 3.960 0.000 0.000 0.290 676 G HA3 0.513 4.473 3.960 0.000 0.000 0.290 676 G C -0.358 174.550 174.900 0.014 0.000 1.310 676 G CA -0.548 44.560 45.100 0.013 0.000 1.025 676 G HN -0.007 nan 8.290 nan 0.000 0.502 677 K N -0.177 120.236 120.400 0.021 0.000 2.427 677 K HA 0.347 4.668 4.320 0.000 0.000 0.252 677 K C -1.095 175.525 176.600 0.033 0.000 0.931 677 K CA -0.518 55.784 56.287 0.024 0.000 0.793 677 K CB 2.653 35.165 32.500 0.020 0.000 1.211 677 K HN 0.549 nan 8.250 nan 0.000 0.426 678 Q N 3.645 123.469 119.800 0.040 0.000 2.321 678 Q HA 0.398 4.738 4.340 0.000 0.000 0.270 678 Q C -1.478 174.551 176.000 0.049 0.000 1.032 678 Q CA -0.659 55.171 55.803 0.045 0.000 0.784 678 Q CB 1.376 30.144 28.738 0.050 0.000 1.264 678 Q HN 0.547 nan 8.270 nan 0.000 0.448 679 L N 5.538 126.785 121.223 0.038 0.000 2.265 679 L HA 0.474 4.814 4.340 0.000 0.000 0.289 679 L C -0.646 176.238 176.870 0.024 0.000 1.033 679 L CA -0.584 54.272 54.840 0.027 0.000 0.814 679 L CB 1.147 43.214 42.059 0.012 0.000 1.203 679 L HN 0.641 nan 8.230 nan 0.000 0.423 680 I N 3.760 124.344 120.570 0.022 0.000 2.312 680 I HA 0.155 4.325 4.170 0.000 0.000 0.290 680 I C 0.135 176.222 176.117 -0.050 0.000 1.008 680 I CA -0.345 60.959 61.300 0.006 0.000 1.226 680 I CB 1.253 39.277 38.000 0.041 0.000 1.371 680 I HN 0.449 nan 8.210 nan 0.000 0.468 681 E N 7.510 127.681 120.200 -0.048 0.000 2.044 681 E HA 0.341 4.691 4.350 0.000 0.000 0.282 681 E C -0.498 176.033 176.600 -0.115 0.000 1.031 681 E CA -0.320 56.035 56.400 -0.074 0.000 0.824 681 E CB 1.175 30.850 29.700 -0.042 0.000 1.076 681 E HN 0.466 nan 8.360 nan 0.000 0.395 682 L N 4.733 125.839 121.223 -0.195 0.000 2.454 682 L HA 0.374 4.714 4.340 0.000 0.000 0.256 682 L C -1.564 175.201 176.870 -0.175 0.000 1.136 682 L CA -1.512 53.152 54.840 -0.293 0.000 0.804 682 L CB 0.263 42.027 42.059 -0.492 0.000 1.181 682 L HN 0.357 nan 8.230 nan 0.000 0.469 683 P HA 0.136 nan 4.420 nan 0.000 0.302 683 P C -1.021 176.233 177.300 -0.076 0.000 1.307 683 P CA -0.686 62.377 63.100 -0.060 0.000 0.754 683 P CB 0.452 32.162 31.700 0.018 0.000 1.298 684 E N -0.252 119.930 120.200 -0.030 0.000 2.344 684 E HA 0.188 4.538 4.350 0.000 0.000 0.270 684 E C -0.568 176.023 176.600 -0.016 0.000 1.021 684 E CA -0.199 56.184 56.400 -0.028 0.000 0.887 684 E CB 0.099 29.794 29.700 -0.009 0.000 0.997 684 E HN 0.254 nan 8.360 nan 0.000 0.429 685 L N 5.883 127.088 121.223 -0.030 0.000 2.309 685 L HA 0.413 4.753 4.340 0.000 0.000 0.282 685 L C -1.998 174.887 176.870 0.026 0.000 1.036 685 L CA -2.528 52.313 54.840 0.001 0.000 0.806 685 L CB 0.890 42.932 42.059 -0.027 0.000 1.220 685 L HN 0.454 nan 8.230 nan 0.000 0.429 686 P HA -0.091 nan 4.420 nan 0.000 0.259 686 P C -1.075 176.250 177.300 0.040 0.000 1.155 686 P CA 0.412 63.545 63.100 0.056 0.000 0.759 686 P CB 0.160 31.907 31.700 0.079 0.000 0.753 687 Q N 3.160 122.978 119.800 0.029 0.000 2.831 687 Q HA 0.291 4.631 4.340 0.000 0.000 0.366 687 Q C -1.978 174.036 176.000 0.023 0.000 0.899 687 Q CA -1.630 54.185 55.803 0.021 0.000 0.987 687 Q CB 0.194 28.937 28.738 0.008 0.000 1.382 687 Q HN 0.430 nan 8.270 nan 0.000 0.403 688 P HA -0.081 nan 4.420 nan 0.000 0.270 688 P C 0.096 177.412 177.300 0.026 0.000 1.227 688 P CA 0.129 63.247 63.100 0.031 0.000 0.788 688 P CB 0.991 32.715 31.700 0.040 0.000 0.926 689 E N -0.954 119.261 120.200 0.025 0.000 2.413 689 E HA 0.080 4.430 4.350 0.000 0.000 0.203 689 E C 0.107 176.723 176.600 0.027 0.000 0.957 689 E CA -0.232 56.181 56.400 0.022 0.000 0.950 689 E CB -0.208 29.503 29.700 0.018 0.000 0.957 689 E HN 0.316 nan 8.360 nan 0.000 0.497 690 S N 1.999 117.718 115.700 0.031 0.000 2.554 690 S HA 0.207 4.677 4.470 0.000 0.000 0.290 690 S C 0.477 175.102 174.600 0.042 0.000 1.309 690 S CA -0.006 58.216 58.200 0.036 0.000 1.047 690 S CB 0.668 63.892 63.200 0.039 0.000 0.828 690 S HN 0.412 nan 8.310 nan 0.000 0.509 691 A N 1.706 124.554 122.820 0.046 0.000 2.366 691 A HA 0.723 5.043 4.320 0.000 0.000 0.249 691 A C 0.969 178.593 177.584 0.067 0.000 1.084 691 A CA 0.308 52.376 52.037 0.051 0.000 0.794 691 A CB -0.363 18.668 19.000 0.053 0.000 1.034 691 A HN 1.845 nan 8.150 nan 0.000 0.491 692 G N -0.375 108.467 108.800 0.070 0.000 2.346 692 G HA2 0.278 4.238 3.960 0.000 0.000 0.294 692 G HA3 0.278 4.238 3.960 0.000 0.000 0.294 692 G C -1.210 173.741 174.900 0.084 0.000 1.294 692 G CA -0.763 44.396 45.100 0.099 0.000 0.962 692 G HN 0.863 nan 8.290 nan 0.000 0.508 693 Q N -0.368 119.516 119.800 0.140 0.000 2.348 693 Q HA 0.563 4.903 4.340 0.000 0.000 0.265 693 Q C -0.733 175.385 176.000 0.196 0.000 0.998 693 Q CA -0.823 55.037 55.803 0.096 0.000 0.831 693 Q CB 2.192 31.025 28.738 0.159 0.000 1.251 693 Q HN 0.492 nan 8.270 nan 0.000 0.456 694 L N 3.614 124.868 121.223 0.050 0.000 2.305 694 L HA 0.406 4.746 4.340 0.000 0.000 0.281 694 L C -1.552 175.371 176.870 0.089 0.000 1.085 694 L CA 0.276 55.183 54.840 0.112 0.000 0.813 694 L CB 0.318 42.401 42.059 0.040 0.000 1.157 694 L HN 0.562 nan 8.230 nan 0.000 0.436 695 W N 5.330 126.701 121.300 0.119 0.000 2.915 695 W HA 0.529 5.189 4.660 0.000 0.000 0.337 695 W C -1.096 175.535 176.519 0.186 0.000 1.102 695 W CA -0.690 56.746 57.345 0.151 0.000 1.224 695 W CB 1.596 31.166 29.460 0.184 0.000 1.416 695 W HN 0.227 nan 8.180 nan 0.000 0.503 696 L N 2.941 124.460 121.223 0.495 0.000 2.296 696 L HA 0.750 5.090 4.340 0.000 0.000 0.286 696 L C -0.375 176.794 176.870 0.498 0.000 1.023 696 L CA 0.040 55.162 54.840 0.470 0.000 0.812 696 L CB 1.256 43.563 42.059 0.413 0.000 1.223 696 L HN 0.338 nan 8.230 nan 0.000 0.421 697 T N 4.943 119.728 114.554 0.385 0.000 2.848 697 T HA 0.655 5.005 4.350 0.000 0.000 0.285 697 T C -1.077 173.770 174.700 0.244 0.000 0.995 697 T CA -0.406 61.846 62.100 0.253 0.000 0.970 697 T CB 1.435 70.397 68.868 0.157 0.000 0.976 697 T HN 0.560 nan 8.240 nan 0.000 0.441 698 V N 2.634 122.625 119.914 0.129 0.000 2.487 698 V HA 0.845 4.965 4.120 0.000 0.000 0.298 698 V C -0.768 175.353 176.094 0.045 0.000 1.028 698 V CA -1.198 61.149 62.300 0.078 0.000 0.860 698 V CB 1.546 33.338 31.823 -0.053 0.000 0.991 698 V HN 0.869 nan 8.190 nan 0.000 0.427 699 R N 3.283 123.862 120.500 0.132 0.000 2.803 699 R HA 0.905 5.245 4.340 0.000 0.000 0.276 699 R C -1.474 174.923 176.300 0.161 0.000 0.978 699 R CA -0.944 55.279 56.100 0.204 0.000 0.939 699 R CB 2.437 32.846 30.300 0.181 0.000 1.179 699 R HN 0.529 nan 8.270 nan 0.000 0.472 700 V N 2.429 122.473 119.914 0.216 0.000 2.409 700 V HA 0.357 4.477 4.120 0.000 0.000 0.291 700 V C -0.315 175.844 176.094 0.108 0.000 1.020 700 V CA -0.772 61.604 62.300 0.127 0.000 0.848 700 V CB 1.669 33.577 31.823 0.140 0.000 0.990 700 V HN 0.525 nan 8.190 nan 0.000 0.430 701 V N 4.315 124.214 119.914 -0.025 0.000 2.630 701 V HA 0.429 4.549 4.120 0.000 0.000 0.305 701 V C -0.055 176.062 176.094 0.038 0.000 1.046 701 V CA -0.777 61.526 62.300 0.006 0.000 0.934 701 V CB 1.801 33.591 31.823 -0.056 0.000 1.003 701 V HN 0.876 nan 8.190 nan 0.000 0.451 702 Q N 4.047 123.910 119.800 0.106 0.000 2.571 702 Q HA 0.234 4.574 4.340 0.000 0.000 0.222 702 Q C -1.647 174.382 176.000 0.049 0.000 1.167 702 Q CA -1.808 54.052 55.803 0.095 0.000 0.966 702 Q CB 1.299 30.117 28.738 0.133 0.000 1.274 702 Q HN 0.550 nan 8.270 nan 0.000 0.552 703 P HA -0.236 nan 4.420 nan 0.000 0.217 703 P C -0.463 176.846 177.300 0.015 0.000 1.162 703 P CA 1.510 64.626 63.100 0.027 0.000 0.901 703 P CB 0.201 31.916 31.700 0.025 0.000 0.793 704 N N -0.696 118.005 118.700 0.002 0.000 2.492 704 N HA 0.441 5.181 4.740 0.000 0.000 0.289 704 N C -0.269 175.205 175.510 -0.060 0.000 1.133 704 N CA -0.653 52.386 53.050 -0.019 0.000 0.961 704 N CB 0.285 38.765 38.487 -0.012 0.000 1.186 704 N HN 0.076 nan 8.380 nan 0.000 0.493 705 A N 0.140 122.917 122.820 -0.072 0.000 2.366 705 A HA 0.532 4.851 4.320 0.000 0.000 0.249 705 A C 0.809 178.280 177.584 -0.189 0.000 1.084 705 A CA -0.138 51.820 52.037 -0.132 0.000 0.794 705 A CB -0.136 18.809 19.000 -0.090 0.000 1.034 705 A HN 0.804 nan 8.150 nan 0.000 0.491 706 T N -2.667 111.677 114.554 -0.350 0.000 2.708 706 T HA 0.631 4.981 4.350 0.000 0.000 0.256 706 T C 0.896 175.424 174.700 -0.286 0.000 0.946 706 T CA 0.216 62.076 62.100 -0.399 0.000 1.039 706 T CB 0.867 69.177 68.868 -0.931 0.000 1.557 706 T HN 1.248 nan 8.240 nan 0.000 0.576 707 A N -0.701 122.009 122.820 -0.183 0.000 2.220 707 A HA 0.284 4.604 4.320 0.000 0.000 0.211 707 A C 1.537 179.235 177.584 0.191 0.000 1.176 707 A CA 0.104 52.193 52.037 0.086 0.000 0.834 707 A CB -0.515 18.630 19.000 0.241 0.000 0.868 707 A HN 0.886 nan 8.150 nan 0.000 0.488 708 W N -0.684 120.671 121.300 0.091 0.000 2.534 708 W HA 0.384 5.044 4.660 0.000 0.000 0.339 708 W C -0.111 176.386 176.519 -0.036 0.000 0.961 708 W CA 0.552 57.908 57.345 0.018 0.000 1.545 708 W CB -0.847 28.605 29.460 -0.013 0.000 1.104 708 W HN 0.378 nan 8.180 nan 0.000 0.538 709 S N 0.760 115.916 115.700 -0.906 0.000 2.541 709 S HA 0.464 4.934 4.470 0.000 0.000 0.280 709 S C -0.636 173.717 174.600 -0.411 0.000 1.112 709 S CA -0.561 57.163 58.200 -0.793 0.000 0.925 709 S CB 2.785 65.095 63.200 -1.484 0.000 1.067 709 S HN 0.127 nan 8.310 nan 0.000 0.479 710 E N 1.205 121.308 120.200 -0.162 0.000 2.318 710 E HA 0.525 4.875 4.350 0.000 0.000 0.265 710 E C 0.325 176.909 176.600 -0.028 0.000 1.069 710 E CA -0.765 55.602 56.400 -0.054 0.000 0.893 710 E CB 1.150 30.865 29.700 0.025 0.000 1.076 710 E HN 0.873 nan 8.360 nan 0.000 0.414 711 A N 0.613 123.424 122.820 -0.015 0.000 2.483 711 A HA 0.390 4.710 4.320 0.000 0.000 0.238 711 A C 1.090 178.701 177.584 0.045 0.000 1.070 711 A CA 0.652 52.691 52.037 0.005 0.000 0.770 711 A CB -0.376 18.626 19.000 0.003 0.000 1.008 711 A HN 0.815 nan 8.150 nan 0.000 0.497 712 G N 0.516 109.352 108.800 0.060 0.000 2.176 712 G HA2 -0.227 3.733 3.960 0.000 0.000 0.252 712 G HA3 -0.227 3.733 3.960 0.000 0.000 0.252 712 G C 0.207 175.172 174.900 0.108 0.000 1.024 712 G CA 0.466 45.612 45.100 0.078 0.000 0.755 712 G HN 1.365 nan 8.290 nan 0.000 0.507 713 H N 0.228 119.318 119.070 0.034 0.000 2.732 713 H HA 0.341 4.897 4.556 0.000 0.000 0.351 713 H C 0.178 175.588 175.328 0.138 0.000 1.090 713 H CA -0.137 55.956 56.048 0.076 0.000 1.431 713 H CB 0.491 30.283 29.762 0.050 0.000 1.447 713 H HN 0.072 nan 8.280 nan 0.000 0.582 714 I N 5.413 125.835 120.570 -0.246 0.000 2.301 714 I HA -0.068 4.102 4.170 0.000 0.000 0.292 714 I C 1.569 177.730 176.117 0.072 0.000 1.046 714 I CA 0.013 61.306 61.300 -0.012 0.000 1.282 714 I CB 0.784 38.798 38.000 0.023 0.000 1.409 714 I HN 0.593 nan 8.210 nan 0.000 0.484 715 S N 4.480 120.398 115.700 0.363 0.000 2.421 715 S HA 0.426 4.896 4.470 0.000 0.000 0.224 715 S C 0.789 175.643 174.600 0.422 0.000 1.035 715 S CA 0.167 58.672 58.200 0.508 0.000 0.953 715 S CB 0.462 64.021 63.200 0.598 0.000 0.810 715 S HN 0.724 nan 8.310 nan 0.000 0.497 716 A N 0.344 123.430 122.820 0.442 0.000 2.608 716 A HA 0.621 4.941 4.320 0.000 0.000 0.292 716 A C -2.018 175.857 177.584 0.485 0.000 1.066 716 A CA -1.012 51.214 52.037 0.315 0.000 0.676 716 A CB 0.495 19.675 19.000 0.299 0.000 1.277 716 A HN 0.772 nan 8.150 nan 0.000 0.413 717 W N 0.354 121.809 121.300 0.258 0.000 3.127 717 W HA 0.804 5.464 4.660 0.000 0.000 0.330 717 W C -0.971 175.556 176.519 0.013 0.000 1.187 717 W CA -0.700 56.686 57.345 0.069 0.000 1.198 717 W CB 1.326 30.779 29.460 -0.011 0.000 1.408 717 W HN 0.813 nan 8.180 nan 0.000 0.529 718 Q N 2.046 121.779 119.800 -0.111 0.000 2.387 718 Q HA 0.606 4.946 4.340 0.000 0.000 0.273 718 Q C -1.313 174.399 176.000 -0.481 0.000 1.089 718 Q CA -0.697 54.809 55.803 -0.495 0.000 0.824 718 Q CB 2.515 30.837 28.738 -0.694 0.000 1.367 718 Q HN 0.597 nan 8.270 nan 0.000 0.443 719 Q N 2.621 121.918 119.800 -0.840 0.000 2.443 719 Q HA 0.371 4.711 4.340 0.000 0.000 0.258 719 Q C -1.913 173.820 176.000 -0.446 0.000 0.967 719 Q CA -0.491 55.079 55.803 -0.389 0.000 0.951 719 Q CB 1.118 29.878 28.738 0.038 0.000 1.459 719 Q HN 0.709 nan 8.270 nan 0.000 0.415 720 W N 2.536 124.017 121.300 0.302 0.000 3.033 720 W HA 0.488 5.148 4.660 0.000 0.000 0.336 720 W C -0.426 176.108 176.519 0.025 0.000 1.173 720 W CA -0.901 56.545 57.345 0.168 0.000 1.185 720 W CB 1.896 31.398 29.460 0.070 0.000 1.425 720 W HN 0.630 nan 8.180 nan 0.000 0.536 721 R N 2.244 122.649 120.500 -0.159 0.000 2.296 721 R HA 0.246 4.586 4.340 0.000 0.000 0.327 721 R C 0.988 177.102 176.300 -0.310 0.000 1.137 721 R CA -0.076 55.586 56.100 -0.730 0.000 1.020 721 R CB 0.119 29.752 30.300 -1.112 0.000 1.110 721 R HN 0.558 nan 8.270 nan 0.000 0.499 722 L N 2.283 123.393 121.223 -0.188 0.000 1.988 722 L HA 0.082 4.422 4.340 0.000 0.000 0.207 722 L C 0.883 177.676 176.870 -0.128 0.000 1.071 722 L CA 1.292 56.072 54.840 -0.100 0.000 0.744 722 L CB -0.220 41.823 42.059 -0.026 0.000 0.893 722 L HN 0.636 nan 8.230 nan 0.000 0.433 723 A N -0.514 122.219 122.820 -0.145 0.000 2.609 723 A HA 0.553 4.873 4.320 0.000 0.000 0.291 723 A C -1.319 176.195 177.584 -0.117 0.000 1.096 723 A CA -0.446 51.524 52.037 -0.112 0.000 0.684 723 A CB 1.674 20.640 19.000 -0.057 0.000 1.282 723 A HN 0.162 nan 8.150 nan 0.000 0.412 724 E N 1.367 121.517 120.200 -0.084 0.000 2.244 724 E HA 0.403 4.753 4.350 0.000 0.000 0.260 724 E C -1.527 175.060 176.600 -0.021 0.000 0.884 724 E CA -0.699 55.666 56.400 -0.058 0.000 0.777 724 E CB 1.043 30.697 29.700 -0.077 0.000 1.197 724 E HN 0.471 nan 8.360 nan 0.000 0.416 725 N N 5.049 123.750 118.700 0.002 0.000 2.439 725 N HA 0.244 4.984 4.740 0.000 0.000 0.249 725 N C -0.567 174.956 175.510 0.022 0.000 1.003 725 N CA -0.279 52.779 53.050 0.013 0.000 0.942 725 N CB 1.009 39.508 38.487 0.021 0.000 1.115 725 N HN 0.605 nan 8.380 nan 0.000 0.505 726 L N 1.256 122.489 121.223 0.018 0.000 2.410 726 L HA 0.082 4.422 4.340 0.000 0.000 0.273 726 L C 1.115 178.003 176.870 0.030 0.000 1.152 726 L CA -0.051 54.804 54.840 0.025 0.000 0.855 726 L CB 0.646 42.716 42.059 0.018 0.000 1.129 726 L HN 0.418 nan 8.230 nan 0.000 0.463 727 S N 3.369 119.093 115.700 0.039 0.000 2.510 727 S HA 0.274 4.744 4.470 0.000 0.000 0.279 727 S C -0.036 174.585 174.600 0.035 0.000 1.284 727 S CA -0.786 57.438 58.200 0.041 0.000 1.059 727 S CB 0.538 63.769 63.200 0.051 0.000 0.901 727 S HN 0.434 nan 8.310 nan 0.000 0.491 728 V N 2.834 122.767 119.914 0.031 0.000 2.361 728 V HA 0.623 4.743 4.120 0.000 0.000 0.252 728 V C -0.196 175.914 176.094 0.026 0.000 0.986 728 V CA -0.298 62.017 62.300 0.027 0.000 1.033 728 V CB -0.237 31.599 31.823 0.021 0.000 1.282 728 V HN 0.901 nan 8.190 nan 0.000 0.514 729 T N 0.147 114.719 114.554 0.030 0.000 2.903 729 T HA 0.773 5.123 4.350 0.000 0.000 0.299 729 T C -0.790 173.928 174.700 0.030 0.000 1.093 729 T CA -0.783 61.334 62.100 0.029 0.000 1.002 729 T CB 2.253 71.140 68.868 0.032 0.000 1.127 729 T HN 0.362 nan 8.240 nan 0.000 0.488 730 L N 2.749 123.988 121.223 0.026 0.000 2.272 730 L HA 0.467 4.807 4.340 0.000 0.000 0.289 730 L C -1.905 174.983 176.870 0.029 0.000 1.032 730 L CA -2.087 52.768 54.840 0.026 0.000 0.810 730 L CB 0.963 43.034 42.059 0.020 0.000 1.205 730 L HN 0.582 nan 8.230 nan 0.000 0.422 731 P HA 0.032 nan 4.420 nan 0.000 0.261 731 P C -0.086 177.235 177.300 0.035 0.000 1.173 731 P CA -0.204 62.919 63.100 0.037 0.000 0.760 731 P CB 0.514 32.238 31.700 0.039 0.000 0.783 732 A N 3.181 126.025 122.820 0.041 0.000 2.547 732 A HA 0.378 4.698 4.320 0.000 0.000 0.233 732 A C 0.930 178.540 177.584 0.043 0.000 1.067 732 A CA 0.257 52.319 52.037 0.043 0.000 0.763 732 A CB -0.386 18.650 19.000 0.060 0.000 1.007 732 A HN 0.772 nan 8.150 nan 0.000 0.506 733 A N 1.466 124.300 122.820 0.024 0.000 2.409 733 A HA 0.504 4.824 4.320 0.000 0.000 0.246 733 A C 0.769 178.380 177.584 0.046 0.000 1.099 733 A CA 0.468 52.508 52.037 0.006 0.000 0.789 733 A CB -0.274 18.701 19.000 -0.042 0.000 1.053 733 A HN 1.920 nan 8.150 nan 0.000 0.503 734 S N -0.949 114.776 115.700 0.040 0.000 2.478 734 S HA 0.496 4.966 4.470 0.000 0.000 0.312 734 S C 0.142 174.809 174.600 0.110 0.000 1.094 734 S CA -0.663 57.612 58.200 0.124 0.000 1.081 734 S CB 0.996 64.249 63.200 0.088 0.000 1.007 734 S HN 0.640 nan 8.310 nan 0.000 0.475 735 H N 2.318 121.396 119.070 0.013 0.000 2.321 735 H HA 0.207 4.763 4.556 0.000 0.000 0.300 735 H C 1.525 176.862 175.328 0.015 0.000 1.087 735 H CA 1.563 57.618 56.048 0.012 0.000 1.319 735 H CB -0.651 29.117 29.762 0.011 0.000 1.379 735 H HN 0.857 nan 8.280 nan 0.000 0.501 736 A N 0.636 123.554 122.820 0.162 0.000 2.336 736 A HA 0.556 4.876 4.320 0.000 0.000 0.278 736 A C -0.052 177.577 177.584 0.075 0.000 1.371 736 A CA 0.181 52.278 52.037 0.100 0.000 0.842 736 A CB 0.047 19.098 19.000 0.086 0.000 1.363 736 A HN 0.403 nan 8.150 nan 0.000 0.517 737 I N -2.411 118.202 120.570 0.071 0.000 2.724 737 I HA 0.452 4.622 4.170 0.000 0.000 0.284 737 I C -2.959 173.205 176.117 0.078 0.000 1.388 737 I CA -1.464 59.870 61.300 0.057 0.000 1.081 737 I CB 1.904 39.926 38.000 0.037 0.000 1.368 737 I HN 0.384 nan 8.210 nan 0.000 0.429 738 P HA -0.016 nan 4.420 nan 0.000 0.266 738 P C -1.207 176.155 177.300 0.103 0.000 1.180 738 P CA 0.443 63.601 63.100 0.096 0.000 0.765 738 P CB 0.221 31.940 31.700 0.032 0.000 0.806 739 H N 2.473 121.579 119.070 0.060 0.000 2.539 739 H HA 0.390 4.946 4.556 0.000 0.000 0.332 739 H C -1.085 174.277 175.328 0.056 0.000 1.031 739 H CA -0.928 55.145 56.048 0.042 0.000 1.206 739 H CB 1.065 30.847 29.762 0.034 0.000 1.446 739 H HN 0.217 nan 8.280 nan 0.000 0.496 740 L N 4.682 125.547 121.223 -0.596 0.000 2.334 740 L HA 0.406 4.746 4.340 0.000 0.000 0.277 740 L C -0.719 175.971 176.870 -0.300 0.000 1.075 740 L CA 0.030 54.688 54.840 -0.303 0.000 0.804 740 L CB 1.584 43.491 42.059 -0.253 0.000 1.174 740 L HN 0.614 nan 8.230 nan 0.000 0.438 741 T N 3.092 117.649 114.554 0.006 0.000 2.985 741 T HA 0.367 4.717 4.350 0.000 0.000 0.315 741 T C 0.051 174.845 174.700 0.157 0.000 1.001 741 T CA -0.533 61.626 62.100 0.099 0.000 1.016 741 T CB 0.817 69.786 68.868 0.168 0.000 0.993 741 T HN 0.748 nan 8.240 nan 0.000 0.454 742 T N 2.178 116.832 114.554 0.166 0.000 2.681 742 T HA 0.603 4.953 4.350 0.000 0.000 0.333 742 T C 0.632 175.409 174.700 0.128 0.000 1.049 742 T CA -0.533 61.724 62.100 0.261 0.000 1.002 742 T CB 0.586 69.598 68.868 0.240 0.000 1.161 742 T HN 0.751 nan 8.240 nan 0.000 0.519 743 S N -1.799 113.940 115.700 0.064 0.000 2.683 743 S HA 0.172 4.642 4.470 0.000 0.000 0.264 743 S C 0.032 174.595 174.600 -0.062 0.000 1.066 743 S CA -0.514 57.683 58.200 -0.004 0.000 0.846 743 S CB 0.466 63.654 63.200 -0.021 0.000 1.114 743 S HN 0.662 nan 8.310 nan 0.000 0.476 744 E N 0.396 120.558 120.200 -0.064 0.000 2.122 744 E HA 0.149 4.499 4.350 0.000 0.000 0.190 744 E C 1.799 178.314 176.600 -0.141 0.000 0.977 744 E CA 1.154 57.504 56.400 -0.084 0.000 0.820 744 E CB -0.062 29.608 29.700 -0.051 0.000 0.770 744 E HN 0.572 nan 8.360 nan 0.000 0.462 745 M N 0.667 120.195 119.600 -0.121 0.000 2.193 745 M HA 0.014 4.494 4.480 0.000 0.000 0.265 745 M C 0.703 176.883 176.300 -0.199 0.000 1.071 745 M CA 1.023 56.249 55.300 -0.124 0.000 1.140 745 M CB -0.391 32.171 32.600 -0.063 0.000 1.369 745 M HN 0.098 nan 8.290 nan 0.000 0.423 746 D N -1.718 118.551 120.400 -0.219 0.000 3.096 746 D HA 0.379 5.019 4.640 0.000 0.000 0.277 746 D C -1.089 174.967 176.300 -0.407 0.000 1.256 746 D CA -0.621 53.214 54.000 -0.275 0.000 1.044 746 D CB 0.796 41.572 40.800 -0.039 0.000 1.318 746 D HN 0.003 nan 8.370 nan 0.000 0.622 747 F N 0.004 120.021 119.950 0.112 0.000 2.946 747 F HA 0.293 4.820 4.527 0.000 0.000 0.375 747 F C -0.489 175.412 175.800 0.168 0.000 1.320 747 F CA -1.665 56.394 58.000 0.100 0.000 1.181 747 F CB 0.738 39.769 39.000 0.052 0.000 2.051 747 F HN 0.458 nan 8.300 nan 0.000 0.622 748 C N 3.233 122.707 119.300 0.289 0.000 2.679 748 C HA 0.502 4.962 4.460 0.000 0.000 0.417 748 C C 0.425 175.573 174.990 0.264 0.000 1.302 748 C CA 0.033 59.203 59.018 0.254 0.000 1.973 748 C CB -0.416 27.396 27.740 0.120 0.000 2.715 748 C HN 0.504 nan 8.230 nan 0.000 0.628 749 I N 3.517 124.281 120.570 0.323 0.000 2.647 749 I HA 0.477 4.647 4.170 0.000 0.000 0.295 749 I C -0.270 176.066 176.117 0.365 0.000 1.078 749 I CA -0.312 61.180 61.300 0.320 0.000 1.048 749 I CB 1.796 40.011 38.000 0.359 0.000 1.239 749 I HN 0.696 nan 8.210 nan 0.000 0.421 750 E N 4.703 125.085 120.200 0.303 0.000 2.343 750 E HA 0.744 5.094 4.350 0.000 0.000 0.270 750 E C -1.827 174.930 176.600 0.263 0.000 0.895 750 E CA -0.775 55.772 56.400 0.244 0.000 0.767 750 E CB 3.412 33.205 29.700 0.154 0.000 1.248 750 E HN 0.504 nan 8.360 nan 0.000 0.440 751 L N 3.641 124.994 121.223 0.217 0.000 2.969 751 L HA 0.454 4.794 4.340 0.000 0.000 0.250 751 L C -0.147 176.791 176.870 0.113 0.000 0.953 751 L CA 0.607 55.564 54.840 0.195 0.000 1.066 751 L CB 0.723 42.943 42.059 0.268 0.000 1.497 751 L HN 0.802 nan 8.230 nan 0.000 0.512 752 G N 4.005 112.840 108.800 0.057 0.000 2.527 752 G HA2 -0.372 3.588 3.960 0.000 0.000 0.268 752 G HA3 -0.372 3.588 3.960 0.000 0.000 0.268 752 G C 0.369 175.258 174.900 -0.019 0.000 1.175 752 G CA 0.439 45.548 45.100 0.015 0.000 0.962 752 G HN 1.273 nan 8.290 nan 0.000 0.560 753 N N 1.240 119.916 118.700 -0.040 0.000 2.370 753 N HA 0.109 4.849 4.740 0.000 0.000 0.198 753 N C 0.300 175.746 175.510 -0.106 0.000 1.156 753 N CA 0.772 53.782 53.050 -0.066 0.000 0.839 753 N CB 0.201 38.653 38.487 -0.059 0.000 0.989 753 N HN 0.741 nan 8.380 nan 0.000 0.468 754 K N 0.592 120.911 120.400 -0.136 0.000 2.244 754 K HA 0.470 4.790 4.320 0.000 0.000 0.260 754 K C -0.369 175.986 176.600 -0.408 0.000 0.951 754 K CA -0.549 55.538 56.287 -0.333 0.000 0.826 754 K CB 2.055 34.312 32.500 -0.404 0.000 1.108 754 K HN 0.005 nan 8.250 nan 0.000 0.433 755 R N 1.560 121.738 120.500 -0.537 0.000 2.744 755 R HA 0.428 4.768 4.340 0.000 0.000 0.279 755 R C -1.141 174.916 176.300 -0.404 0.000 0.977 755 R CA -0.887 55.042 56.100 -0.285 0.000 0.906 755 R CB 1.917 32.151 30.300 -0.110 0.000 1.197 755 R HN 0.495 nan 8.270 nan 0.000 0.463 756 W N 2.348 123.744 121.300 0.161 0.000 2.656 756 W HA 0.326 4.986 4.660 0.000 0.000 0.327 756 W C -0.407 176.201 176.519 0.148 0.000 1.041 756 W CA -0.435 56.972 57.345 0.102 0.000 1.229 756 W CB 2.157 31.683 29.460 0.110 0.000 1.397 756 W HN 0.391 nan 8.180 nan 0.000 0.479 757 Q N 3.002 122.916 119.800 0.188 0.000 2.333 757 Q HA 0.369 4.709 4.340 0.000 0.000 0.268 757 Q C -1.755 174.183 176.000 -0.103 0.000 1.007 757 Q CA -0.507 55.407 55.803 0.185 0.000 0.810 757 Q CB 1.199 30.141 28.738 0.340 0.000 1.264 757 Q HN 0.371 nan 8.270 nan 0.000 0.452 758 F N 3.795 123.828 119.950 0.138 0.000 2.291 758 F HA 0.226 4.753 4.527 0.000 0.000 0.368 758 F C 0.684 176.490 175.800 0.009 0.000 1.085 758 F CA -0.802 57.243 58.000 0.075 0.000 1.165 758 F CB 0.663 39.718 39.000 0.092 0.000 1.429 758 F HN 0.523 nan 8.300 nan 0.000 0.503 759 N N 3.236 122.000 118.700 0.106 0.000 2.294 759 N HA -0.073 4.667 4.740 0.000 0.000 0.263 759 N C 1.185 176.684 175.510 -0.018 0.000 1.281 759 N CA 0.457 53.525 53.050 0.030 0.000 0.846 759 N CB 0.658 39.166 38.487 0.034 0.000 1.061 759 N HN 0.628 nan 8.380 nan 0.000 0.478 760 R N 2.684 123.094 120.500 -0.151 0.000 2.189 760 R HA -0.114 4.226 4.340 0.000 0.000 0.218 760 R C 1.156 177.368 176.300 -0.146 0.000 1.074 760 R CA 1.247 57.203 56.100 -0.241 0.000 0.991 760 R CB 0.148 30.180 30.300 -0.447 0.000 0.883 760 R HN 0.711 nan 8.270 nan 0.000 0.457 761 Q N -0.457 119.280 119.800 -0.106 0.000 2.396 761 Q HA 0.048 4.388 4.340 0.000 0.000 0.209 761 Q C 1.710 177.657 176.000 -0.087 0.000 0.906 761 Q CA 0.978 56.729 55.803 -0.087 0.000 0.927 761 Q CB 0.472 29.175 28.738 -0.060 0.000 1.069 761 Q HN 0.158 nan 8.270 nan 0.000 0.523 762 S N -0.458 115.196 115.700 -0.077 0.000 2.492 762 S HA 0.309 4.779 4.470 0.000 0.000 0.218 762 S C 1.688 176.076 174.600 -0.353 0.000 1.016 762 S CA 0.350 58.486 58.200 -0.107 0.000 0.916 762 S CB 0.201 63.436 63.200 0.058 0.000 0.791 762 S HN 0.539 nan 8.310 nan 0.000 0.513 763 G N 0.460 109.126 108.800 -0.223 0.000 2.162 763 G HA2 -0.217 3.743 3.960 0.000 0.000 0.260 763 G HA3 -0.217 3.743 3.960 0.000 0.000 0.260 763 G C -0.189 174.653 174.900 -0.095 0.000 0.976 763 G CA 0.508 45.472 45.100 -0.227 0.000 0.655 763 G HN 0.515 nan 8.290 nan 0.000 0.533 764 F N -1.034 119.100 119.950 0.306 0.000 2.546 764 F HA 0.646 5.173 4.527 0.000 0.000 0.320 764 F C 0.454 176.305 175.800 0.085 0.000 1.076 764 F CA -1.810 56.354 58.000 0.273 0.000 0.928 764 F CB 1.377 40.495 39.000 0.195 0.000 1.189 764 F HN -0.016 nan 8.300 nan 0.000 0.465 765 L N 2.530 123.831 121.223 0.129 0.000 2.827 765 L HA 0.019 4.359 4.340 0.000 0.000 0.293 765 L C 1.167 177.905 176.870 -0.219 0.000 1.156 765 L CA 0.531 55.019 54.840 -0.587 0.000 1.145 765 L CB -0.738 41.057 42.059 -0.441 0.000 1.474 765 L HN 0.704 nan 8.230 nan 0.000 0.442 766 S N 2.040 117.637 115.700 -0.172 0.000 2.489 766 S HA 0.067 4.537 4.470 0.000 0.000 0.228 766 S C 0.651 175.160 174.600 -0.152 0.000 0.995 766 S CA 0.481 58.639 58.200 -0.071 0.000 0.934 766 S CB -0.112 63.095 63.200 0.011 0.000 0.771 766 S HN 0.730 nan 8.310 nan 0.000 0.522 767 Q N -0.056 119.601 119.800 -0.239 0.000 2.647 767 Q HA 0.645 4.985 4.340 0.000 0.000 0.283 767 Q C -1.671 174.037 176.000 -0.486 0.000 0.943 767 Q CA -0.596 54.961 55.803 -0.410 0.000 0.813 767 Q CB 1.491 29.887 28.738 -0.570 0.000 1.477 767 Q HN 0.446 nan 8.270 nan 0.000 0.393 768 M N 1.150 120.324 119.600 -0.709 0.000 2.365 768 M HA 0.735 5.215 4.480 0.000 0.000 0.287 768 M C -2.037 173.889 176.300 -0.624 0.000 1.154 768 M CA -0.266 54.701 55.300 -0.555 0.000 0.941 768 M CB 1.802 34.119 32.600 -0.472 0.000 1.704 768 M HN 0.542 nan 8.290 nan 0.000 0.479 769 W N 3.955 125.035 121.300 -0.366 0.000 2.781 769 W HA 0.704 5.364 4.660 0.000 0.000 0.345 769 W C -1.501 174.818 176.519 -0.333 0.000 1.085 769 W CA -0.861 56.316 57.345 -0.281 0.000 1.198 769 W CB 2.060 31.383 29.460 -0.229 0.000 1.423 769 W HN 0.573 nan 8.180 nan 0.000 0.532 770 I N 2.375 122.936 120.570 -0.016 0.000 2.517 770 I HA 0.408 4.578 4.170 0.000 0.000 0.280 770 I C 0.644 176.745 176.117 -0.027 0.000 1.061 770 I CA 0.272 61.519 61.300 -0.088 0.000 1.091 770 I CB 1.190 39.112 38.000 -0.130 0.000 1.205 770 I HN 0.710 nan 8.210 nan 0.000 0.459 771 G N 5.093 113.876 108.800 -0.030 0.000 2.536 771 G HA2 -0.292 3.668 3.960 0.000 0.000 0.277 771 G HA3 -0.292 3.668 3.960 0.000 0.000 0.277 771 G C 0.486 175.402 174.900 0.027 0.000 1.155 771 G CA 0.497 45.585 45.100 -0.021 0.000 0.960 771 G HN 0.668 nan 8.290 nan 0.000 0.544 772 D N 0.994 121.423 120.400 0.048 0.000 2.379 772 D HA 0.161 4.801 4.640 0.000 0.000 0.208 772 D C 0.845 177.266 176.300 0.201 0.000 1.065 772 D CA 0.249 54.311 54.000 0.102 0.000 0.848 772 D CB 0.249 41.071 40.800 0.035 0.000 0.949 772 D HN 0.473 nan 8.370 nan 0.000 0.509 773 K N 1.402 121.871 120.400 0.115 0.000 2.339 773 K HA 0.180 4.500 4.320 0.000 0.000 0.286 773 K C 0.056 176.618 176.600 -0.063 0.000 1.050 773 K CA -0.123 56.180 56.287 0.027 0.000 0.956 773 K CB 1.086 33.573 32.500 -0.022 0.000 0.990 773 K HN -0.044 nan 8.250 nan 0.000 0.475 774 K N 2.813 123.104 120.400 -0.182 0.000 2.249 774 K HA 0.065 4.385 4.320 0.000 0.000 0.280 774 K C 0.646 177.056 176.600 -0.318 0.000 1.033 774 K CA -0.578 55.425 56.287 -0.473 0.000 0.946 774 K CB 1.106 33.359 32.500 -0.411 0.000 1.005 774 K HN 0.437 nan 8.250 nan 0.000 0.469 775 Q N 1.284 120.870 119.800 -0.358 0.000 2.324 775 Q HA 0.160 4.500 4.340 0.000 0.000 0.207 775 Q C 0.705 176.616 176.000 -0.148 0.000 0.928 775 Q CA 0.833 56.538 55.803 -0.163 0.000 0.890 775 Q CB 0.205 28.907 28.738 -0.060 0.000 1.001 775 Q HN 0.521 nan 8.270 nan 0.000 0.517 776 L N -0.222 120.870 121.223 -0.219 0.000 2.331 776 L HA 0.396 4.736 4.340 0.000 0.000 0.268 776 L C 0.919 177.653 176.870 -0.227 0.000 1.015 776 L CA -0.476 54.250 54.840 -0.191 0.000 0.807 776 L CB 0.899 42.861 42.059 -0.162 0.000 1.293 776 L HN -0.065 nan 8.230 nan 0.000 0.451 777 L N -0.643 120.437 121.223 -0.239 0.000 2.685 777 L HA 0.226 4.566 4.340 0.000 0.000 0.235 777 L C 0.127 176.870 176.870 -0.211 0.000 1.070 777 L CA 0.603 55.306 54.840 -0.228 0.000 0.888 777 L CB 1.010 42.910 42.059 -0.265 0.000 1.203 777 L HN 0.692 nan 8.230 nan 0.000 0.499 778 T N -0.361 114.045 114.554 -0.247 0.000 2.916 778 T HA 0.499 4.849 4.350 0.000 0.000 0.292 778 T C -2.702 171.928 174.700 -0.116 0.000 1.055 778 T CA -1.403 60.591 62.100 -0.176 0.000 1.009 778 T CB 2.108 70.821 68.868 -0.259 0.000 1.118 778 T HN -0.282 nan 8.240 nan 0.000 0.497 779 P HA 0.369 nan 4.420 nan 0.000 0.276 779 P C -0.842 176.443 177.300 -0.024 0.000 1.252 779 P CA -0.842 62.250 63.100 -0.013 0.000 0.802 779 P CB 0.483 32.224 31.700 0.069 0.000 1.035 780 L N 2.926 124.168 121.223 0.033 0.000 2.363 780 L HA 0.270 4.610 4.340 0.000 0.000 0.286 780 L C 0.058 176.880 176.870 -0.081 0.000 1.106 780 L CA 0.309 55.187 54.840 0.064 0.000 0.859 780 L CB -0.760 41.456 42.059 0.261 0.000 1.223 780 L HN 0.326 nan 8.230 nan 0.000 0.446 781 R N 1.981 122.337 120.500 -0.241 0.000 2.837 781 R HA 0.604 4.944 4.340 0.000 0.000 0.271 781 R C -0.845 175.272 176.300 -0.306 0.000 0.993 781 R CA -1.046 54.739 56.100 -0.525 0.000 0.931 781 R CB 0.641 30.304 30.300 -1.062 0.000 1.206 781 R HN 0.411 nan 8.270 nan 0.000 0.474 782 D N 0.963 121.212 120.400 -0.252 0.000 2.478 782 D HA -0.034 4.606 4.640 0.000 0.000 0.234 782 D C -0.516 175.422 176.300 -0.603 0.000 1.154 782 D CA 0.889 54.660 54.000 -0.380 0.000 0.874 782 D CB 0.527 41.198 40.800 -0.215 0.000 1.198 782 D HN 0.353 nan 8.370 nan 0.000 0.455 783 Q N 1.230 120.429 119.800 -1.002 0.000 2.263 783 Q HA 0.289 4.629 4.340 0.000 0.000 0.262 783 Q C -1.263 174.068 176.000 -1.115 0.000 0.984 783 Q CA -0.570 54.744 55.803 -0.815 0.000 0.813 783 Q CB 0.741 29.190 28.738 -0.481 0.000 1.299 783 Q HN 0.525 nan 8.270 nan 0.000 0.428 784 F N 0.556 120.187 119.950 -0.532 0.000 2.682 784 F HA 0.191 4.718 4.527 0.000 0.000 0.308 784 F C 0.912 176.347 175.800 -0.610 0.000 1.093 784 F CA -0.084 57.518 58.000 -0.663 0.000 1.244 784 F CB 1.337 39.747 39.000 -0.983 0.000 1.052 784 F HN 0.437 nan 8.300 nan 0.000 0.573 785 T N -0.530 113.777 114.554 -0.413 0.000 2.927 785 T HA 0.818 5.168 4.350 0.000 0.000 0.286 785 T C -0.430 174.051 174.700 -0.365 0.000 1.040 785 T CA -0.874 60.913 62.100 -0.522 0.000 1.010 785 T CB 2.643 71.157 68.868 -0.589 0.000 1.177 785 T HN 0.281 nan 8.240 nan 0.000 0.546 786 R N -0.302 120.036 120.500 -0.270 0.000 2.774 786 R HA 0.755 5.095 4.340 0.000 0.000 0.272 786 R C -0.962 175.409 176.300 0.119 0.000 1.000 786 R CA -1.240 54.820 56.100 -0.068 0.000 0.906 786 R CB 1.416 31.709 30.300 -0.012 0.000 1.227 786 R HN 0.775 nan 8.270 nan 0.000 0.468 787 A N 3.132 126.003 122.820 0.084 0.000 2.545 787 A HA 0.286 4.606 4.320 0.000 0.000 0.297 787 A C -1.982 175.671 177.584 0.116 0.000 1.340 787 A CA -1.488 50.596 52.037 0.079 0.000 1.016 787 A CB -0.681 18.317 19.000 -0.004 0.000 1.122 787 A HN 0.537 nan 8.150 nan 0.000 0.537 788 P HA -0.033 nan 4.420 nan 0.000 0.259 788 P C -0.169 177.236 177.300 0.175 0.000 1.163 788 P CA 0.726 63.981 63.100 0.259 0.000 0.760 788 P CB 0.197 32.083 31.700 0.310 0.000 0.762 789 L N 2.612 123.911 121.223 0.126 0.000 2.466 789 L HA 0.155 4.495 4.340 0.000 0.000 0.257 789 L C 1.917 178.801 176.870 0.023 0.000 1.189 789 L CA -0.474 54.385 54.840 0.031 0.000 0.813 789 L CB -0.091 41.919 42.059 -0.082 0.000 1.118 789 L HN 0.287 nan 8.230 nan 0.000 0.471 790 D N 0.667 121.021 120.400 -0.076 0.000 2.149 790 D HA -0.190 4.450 4.640 0.000 0.000 0.194 790 D C 1.650 177.865 176.300 -0.141 0.000 1.001 790 D CA 1.547 55.419 54.000 -0.213 0.000 0.849 790 D CB 0.047 40.626 40.800 -0.368 0.000 0.939 790 D HN 0.523 nan 8.370 nan 0.000 0.449 791 N N 1.084 119.713 118.700 -0.118 0.000 2.223 791 N HA -0.115 4.625 4.740 0.000 0.000 0.185 791 N C 1.229 176.743 175.510 0.008 0.000 1.016 791 N CA 0.776 53.785 53.050 -0.068 0.000 0.863 791 N CB -0.236 38.197 38.487 -0.091 0.000 0.983 791 N HN 0.425 nan 8.380 nan 0.000 0.429 792 D N 0.599 121.026 120.400 0.045 0.000 2.224 792 D HA -0.019 4.621 4.640 0.000 0.000 0.205 792 D C 1.943 178.294 176.300 0.084 0.000 0.965 792 D CA 0.552 54.620 54.000 0.113 0.000 0.852 792 D CB 0.197 41.138 40.800 0.236 0.000 0.947 792 D HN 0.327 nan 8.370 nan 0.000 0.494 793 I N 0.828 121.432 120.570 0.056 0.000 2.235 793 I HA 0.002 4.172 4.170 0.000 0.000 0.241 793 I C 1.936 178.072 176.117 0.032 0.000 1.085 793 I CA 0.856 62.179 61.300 0.038 0.000 1.378 793 I CB -0.508 37.496 38.000 0.007 0.000 1.076 793 I HN 0.056 nan 8.210 nan 0.000 0.415 794 G N 1.064 109.883 108.800 0.031 0.000 2.583 794 G HA2 -0.330 3.630 3.960 0.000 0.000 0.292 794 G HA3 -0.330 3.630 3.960 0.000 0.000 0.292 794 G C 0.557 175.596 174.900 0.232 0.000 1.203 794 G CA 0.715 45.895 45.100 0.133 0.000 0.987 794 G HN 0.759 nan 8.290 nan 0.000 0.554 795 V N -2.289 117.744 119.914 0.198 0.000 3.110 795 V HA 0.697 4.817 4.120 0.000 0.000 0.368 795 V C 0.887 177.033 176.094 0.087 0.000 1.332 795 V CA 0.866 63.276 62.300 0.184 0.000 1.287 795 V CB 0.231 32.092 31.823 0.063 0.000 1.277 795 V HN 1.108 nan 8.190 nan 0.000 0.502 796 S N 1.836 117.576 115.700 0.068 0.000 2.531 796 S HA 0.347 4.817 4.470 0.000 0.000 0.279 796 S C -0.039 174.589 174.600 0.047 0.000 1.305 796 S CA -0.040 58.185 58.200 0.041 0.000 1.058 796 S CB 0.246 63.459 63.200 0.023 0.000 0.899 796 S HN 0.795 nan 8.310 nan 0.000 0.493 797 E N 1.949 122.171 120.200 0.037 0.000 2.266 797 E HA 0.429 4.779 4.350 0.000 0.000 0.268 797 E C 0.617 177.241 176.600 0.039 0.000 0.879 797 E CA -0.648 55.779 56.400 0.044 0.000 0.762 797 E CB 1.723 31.447 29.700 0.040 0.000 1.199 797 E HN 0.616 nan 8.360 nan 0.000 0.422 798 A N 1.778 124.627 122.820 0.049 0.000 1.917 798 A HA -0.205 4.115 4.320 0.000 0.000 0.219 798 A C 1.933 179.538 177.584 0.035 0.000 1.182 798 A CA 2.496 54.560 52.037 0.044 0.000 0.633 798 A CB -0.807 18.223 19.000 0.051 0.000 0.819 798 A HN 0.662 nan 8.150 nan 0.000 0.448 799 T N -1.220 113.354 114.554 0.034 0.000 2.951 799 T HA 0.065 4.415 4.350 0.000 0.000 0.268 799 T C 0.687 175.396 174.700 0.016 0.000 1.073 799 T CA 1.064 63.179 62.100 0.025 0.000 1.134 799 T CB -0.117 68.766 68.868 0.025 0.000 0.884 799 T HN 0.517 nan 8.240 nan 0.000 0.479 800 R N 0.079 120.588 120.500 0.015 0.000 2.510 800 R HA 0.561 4.901 4.340 0.000 0.000 0.294 800 R C -1.675 174.629 176.300 0.007 0.000 1.056 800 R CA -0.456 55.647 56.100 0.005 0.000 0.918 800 R CB 1.401 31.697 30.300 -0.008 0.000 1.187 800 R HN 0.106 nan 8.270 nan 0.000 0.437 801 I N 2.006 122.578 120.570 0.004 0.000 2.315 801 I HA 0.087 4.257 4.170 0.000 0.000 0.291 801 I C -0.047 176.063 176.117 -0.013 0.000 1.006 801 I CA -0.170 61.132 61.300 0.002 0.000 1.265 801 I CB 1.140 39.144 38.000 0.007 0.000 1.387 801 I HN 0.464 nan 8.210 nan 0.000 0.475 802 D N 9.599 129.990 120.400 -0.017 0.000 2.494 802 D HA 0.212 4.852 4.640 0.000 0.000 0.217 802 D C -1.583 174.682 176.300 -0.058 0.000 1.153 802 D CA -2.353 51.626 54.000 -0.034 0.000 0.954 802 D CB 0.963 41.747 40.800 -0.026 0.000 1.034 802 D HN 0.180 nan 8.370 nan 0.000 0.518 803 P HA -0.170 nan 4.420 nan 0.000 0.219 803 P C 0.598 177.814 177.300 -0.140 0.000 1.145 803 P CA 1.032 64.083 63.100 -0.082 0.000 0.813 803 P CB 0.288 31.945 31.700 -0.071 0.000 0.771 804 N N -1.074 117.531 118.700 -0.158 0.000 2.388 804 N HA 0.091 4.831 4.740 0.000 0.000 0.176 804 N C 0.832 176.148 175.510 -0.323 0.000 1.062 804 N CA 0.112 53.013 53.050 -0.248 0.000 0.895 804 N CB -0.091 38.266 38.487 -0.217 0.000 1.018 804 N HN 0.072 nan 8.380 nan 0.000 0.456 805 A N 0.621 123.314 122.820 -0.213 0.000 2.555 805 A HA -0.050 4.270 4.320 0.000 0.000 0.233 805 A C 0.855 178.246 177.584 -0.322 0.000 1.060 805 A CA -0.070 51.844 52.037 -0.205 0.000 0.759 805 A CB -0.011 18.941 19.000 -0.080 0.000 0.995 805 A HN 0.364 nan 8.150 nan 0.000 0.506 806 W N 1.587 122.637 121.300 -0.417 0.000 2.354 806 W HA -0.149 4.511 4.660 0.000 0.000 0.315 806 W C 2.271 178.240 176.519 -0.917 0.000 1.206 806 W CA 1.537 58.373 57.345 -0.847 0.000 1.290 806 W CB -0.400 28.418 29.460 -1.070 0.000 1.152 806 W HN 0.545 nan 8.180 nan 0.000 0.489 807 V N 0.992 120.792 119.914 -0.191 0.000 2.380 807 V HA -0.302 3.818 4.120 0.000 0.000 0.251 807 V C 2.063 178.248 176.094 0.151 0.000 1.063 807 V CA 2.090 64.493 62.300 0.172 0.000 1.055 807 V CB -0.394 31.566 31.823 0.228 0.000 0.657 807 V HN 0.136 nan 8.190 nan 0.000 0.455 808 E N -0.616 119.589 120.200 0.008 0.000 2.358 808 E HA -0.089 4.261 4.350 0.000 0.000 0.195 808 E C 2.310 178.899 176.600 -0.018 0.000 1.010 808 E CA 0.471 56.880 56.400 0.014 0.000 0.856 808 E CB -0.168 29.515 29.700 -0.028 0.000 0.795 808 E HN 0.613 nan 8.360 nan 0.000 0.504 809 R N -0.323 120.100 120.500 -0.128 0.000 2.075 809 R HA -0.065 4.275 4.340 0.000 0.000 0.226 809 R C 2.110 178.402 176.300 -0.013 0.000 1.114 809 R CA 0.757 56.757 56.100 -0.167 0.000 0.972 809 R CB -0.096 29.980 30.300 -0.374 0.000 0.869 809 R HN 0.221 nan 8.270 nan 0.000 0.437 810 W N 1.840 123.163 121.300 0.039 0.000 2.381 810 W HA -0.037 4.623 4.660 0.000 0.000 0.321 810 W C 2.118 178.709 176.519 0.120 0.000 1.196 810 W CA 0.406 57.731 57.345 -0.033 0.000 1.304 810 W CB -1.071 28.466 29.460 0.128 0.000 1.166 810 W HN 0.034 nan 8.180 nan 0.000 0.473 811 K N 0.147 120.864 120.400 0.527 0.000 2.049 811 K HA -0.265 4.055 4.320 0.000 0.000 0.219 811 K C 2.066 178.798 176.600 0.219 0.000 1.056 811 K CA 2.528 59.048 56.287 0.389 0.000 0.946 811 K CB -0.866 31.781 32.500 0.245 0.000 0.723 811 K HN 0.068 nan 8.250 nan 0.000 0.453 812 A N 0.824 123.725 122.820 0.135 0.000 2.032 812 A HA -0.164 4.156 4.320 0.000 0.000 0.221 812 A C 2.224 179.805 177.584 -0.005 0.000 1.165 812 A CA 2.074 54.148 52.037 0.062 0.000 0.645 812 A CB -0.506 18.509 19.000 0.026 0.000 0.807 812 A HN 0.452 nan 8.150 nan 0.000 0.453 813 A N -2.562 120.258 122.820 0.000 0.000 1.975 813 A HA 0.404 4.724 4.320 0.000 0.000 0.215 813 A C 1.996 179.428 177.584 -0.254 0.000 1.170 813 A CA 1.500 53.508 52.037 -0.049 0.000 0.656 813 A CB -0.485 18.543 19.000 0.046 0.000 0.821 813 A HN 1.796 nan 8.150 nan 0.000 0.449 814 G N -2.381 106.361 108.800 -0.097 0.000 2.231 814 G HA2 -0.234 3.726 3.960 0.000 0.000 0.206 814 G HA3 -0.234 3.726 3.960 0.000 0.000 0.206 814 G C 0.764 175.799 174.900 0.225 0.000 0.996 814 G CA 0.521 45.591 45.100 -0.050 0.000 0.645 814 G HN 0.604 nan 8.290 nan 0.000 0.498 815 H N -0.852 118.236 119.070 0.031 0.000 2.407 815 H HA -0.244 4.311 4.556 0.000 0.000 0.293 815 H C 2.150 177.441 175.328 -0.062 0.000 1.122 815 H CA 2.084 58.125 56.048 -0.012 0.000 1.232 815 H CB 0.031 29.747 29.762 -0.076 0.000 1.361 815 H HN 0.595 nan 8.280 nan 0.000 0.498 816 Y N 0.523 120.976 120.300 0.256 0.000 2.365 816 Y HA -0.060 4.490 4.550 0.000 0.000 0.293 816 Y C 1.070 177.080 175.900 0.183 0.000 1.119 816 Y CA 0.580 58.791 58.100 0.185 0.000 1.203 816 Y CB 0.482 39.041 38.460 0.165 0.000 1.026 816 Y HN 0.260 nan 8.280 nan 0.000 0.549 817 Q N -0.211 119.801 119.800 0.354 0.000 2.943 817 Q HA 0.656 4.996 4.340 0.000 0.000 0.327 817 Q C -0.775 175.409 176.000 0.308 0.000 0.937 817 Q CA -0.357 55.625 55.803 0.299 0.000 0.914 817 Q CB 1.102 29.996 28.738 0.260 0.000 1.339 817 Q HN 0.111 nan 8.270 nan 0.000 0.417 818 A N 1.482 124.480 122.820 0.296 0.000 2.320 818 A HA 0.683 5.003 4.320 0.000 0.000 0.334 818 A C -0.551 177.244 177.584 0.350 0.000 1.147 818 A CA -0.759 51.461 52.037 0.305 0.000 0.820 818 A CB 0.908 20.058 19.000 0.250 0.000 1.218 818 A HN 0.462 nan 8.150 nan 0.000 0.482 819 E N 1.073 121.439 120.200 0.275 0.000 2.158 819 E HA 0.526 4.876 4.350 0.000 0.000 0.271 819 E C -0.454 176.153 176.600 0.011 0.000 0.911 819 E CA -0.724 55.783 56.400 0.179 0.000 0.767 819 E CB 1.955 31.709 29.700 0.090 0.000 1.120 819 E HN 0.711 nan 8.360 nan 0.000 0.405 820 A N 2.264 124.968 122.820 -0.193 0.000 2.388 820 A HA 0.555 4.875 4.320 0.000 0.000 0.257 820 A C -0.189 177.208 177.584 -0.311 0.000 1.095 820 A CA -0.210 51.375 52.037 -0.753 0.000 0.791 820 A CB 0.508 19.045 19.000 -0.771 0.000 1.029 820 A HN 0.651 nan 8.150 nan 0.000 0.489 821 A N 2.695 125.321 122.820 -0.324 0.000 2.522 821 A HA 0.531 4.851 4.320 0.000 0.000 0.285 821 A C -0.472 177.014 177.584 -0.163 0.000 1.198 821 A CA -0.587 51.354 52.037 -0.161 0.000 0.742 821 A CB 0.295 19.231 19.000 -0.105 0.000 1.176 821 A HN 1.069 nan 8.150 nan 0.000 0.444 822 L N 2.613 123.725 121.223 -0.185 0.000 2.615 822 L HA 0.020 4.360 4.340 0.000 0.000 0.284 822 L C 0.654 177.408 176.870 -0.193 0.000 1.237 822 L CA 0.482 55.148 54.840 -0.290 0.000 0.905 822 L CB -0.063 41.833 42.059 -0.271 0.000 1.149 822 L HN 0.775 nan 8.230 nan 0.000 0.499 823 L N 3.045 124.146 121.223 -0.205 0.000 2.766 823 L HA 0.272 4.612 4.340 0.000 0.000 0.241 823 L C 0.251 177.059 176.870 -0.104 0.000 1.080 823 L CA 0.154 54.926 54.840 -0.113 0.000 0.909 823 L CB 0.367 42.384 42.059 -0.069 0.000 1.277 823 L HN 0.727 nan 8.230 nan 0.000 0.510 824 Q N 0.268 119.977 119.800 -0.152 0.000 2.520 824 Q HA 0.165 4.505 4.340 0.000 0.000 0.237 824 Q C -2.058 173.880 176.000 -0.104 0.000 0.875 824 Q CA -0.211 55.532 55.803 -0.099 0.000 1.028 824 Q CB 2.429 31.136 28.738 -0.053 0.000 1.534 824 Q HN 0.143 nan 8.270 nan 0.000 0.471 825 C N 3.498 122.763 119.300 -0.057 0.000 2.396 825 C HA 0.978 5.438 4.460 0.000 0.000 0.321 825 C C -0.691 174.331 174.990 0.054 0.000 1.233 825 C CA 0.360 59.376 59.018 -0.003 0.000 1.440 825 C CB 0.950 28.699 27.740 0.015 0.000 2.110 825 C HN 0.844 nan 8.230 nan 0.000 0.473 826 T N 2.793 117.340 114.554 -0.011 0.000 2.932 826 T HA 0.783 5.133 4.350 0.000 0.000 0.318 826 T C -0.712 173.796 174.700 -0.319 0.000 1.265 826 T CA -0.210 61.823 62.100 -0.112 0.000 1.036 826 T CB 1.348 70.162 68.868 -0.091 0.000 1.209 826 T HN 1.617 nan 8.240 nan 0.000 0.484 827 A N 1.895 124.382 122.820 -0.555 0.000 2.337 827 A HA 0.886 5.206 4.320 0.000 0.000 0.331 827 A C -0.900 176.455 177.584 -0.382 0.000 1.137 827 A CA -0.592 51.056 52.037 -0.649 0.000 0.807 827 A CB 1.161 19.437 19.000 -1.207 0.000 1.250 827 A HN 0.906 nan 8.150 nan 0.000 0.468 828 D N -0.196 120.024 120.400 -0.300 0.000 2.736 828 D HA 0.439 5.079 4.640 0.000 0.000 0.223 828 D C -1.380 174.814 176.300 -0.176 0.000 1.231 828 D CA -0.022 53.858 54.000 -0.201 0.000 0.818 828 D CB 2.367 43.080 40.800 -0.145 0.000 1.587 828 D HN 0.403 nan 8.370 nan 0.000 0.463 829 T N 1.793 116.263 114.554 -0.139 0.000 2.770 829 T HA 0.468 4.818 4.350 0.000 0.000 0.283 829 T C 0.138 174.786 174.700 -0.087 0.000 0.988 829 T CA -0.516 61.513 62.100 -0.119 0.000 0.957 829 T CB 1.023 69.822 68.868 -0.116 0.000 0.930 829 T HN 0.060 nan 8.240 nan 0.000 0.443 830 L N 1.713 122.889 121.223 -0.078 0.000 2.544 830 L HA 0.662 5.002 4.340 0.000 0.000 0.256 830 L C 1.848 178.691 176.870 -0.045 0.000 1.097 830 L CA -0.324 54.482 54.840 -0.058 0.000 0.812 830 L CB -0.145 41.882 42.059 -0.054 0.000 1.440 830 L HN 0.710 nan 8.230 nan 0.000 0.496 831 A N -0.200 122.599 122.820 -0.035 0.000 1.930 831 A HA -0.130 4.190 4.320 0.000 0.000 0.217 831 A C 1.169 178.739 177.584 -0.022 0.000 1.175 831 A CA 1.758 53.779 52.037 -0.026 0.000 0.627 831 A CB -0.693 18.294 19.000 -0.022 0.000 0.815 831 A HN 0.856 nan 8.150 nan 0.000 0.443 832 D N -2.597 117.788 120.400 -0.025 0.000 2.441 832 D HA 0.557 5.197 4.640 0.000 0.000 0.210 832 D C 0.393 176.679 176.300 -0.024 0.000 1.102 832 D CA 0.699 54.687 54.000 -0.019 0.000 0.840 832 D CB 0.315 41.106 40.800 -0.016 0.000 0.990 832 D HN 0.542 nan 8.370 nan 0.000 0.505 833 A N -0.674 122.122 122.820 -0.040 0.000 2.428 833 A HA 0.575 4.895 4.320 0.000 0.000 0.304 833 A C -1.848 175.686 177.584 -0.083 0.000 1.085 833 A CA -0.755 51.248 52.037 -0.057 0.000 0.605 833 A CB 0.506 19.470 19.000 -0.060 0.000 1.393 833 A HN 0.085 nan 8.150 nan 0.000 0.541 834 V N 0.398 120.245 119.914 -0.112 0.000 2.435 834 V HA 0.646 4.766 4.120 0.000 0.000 0.290 834 V C -0.790 175.209 176.094 -0.158 0.000 1.030 834 V CA -0.463 61.751 62.300 -0.144 0.000 0.881 834 V CB 1.192 32.920 31.823 -0.158 0.000 0.983 834 V HN 0.804 nan 8.190 nan 0.000 0.445 835 L N 6.192 127.315 121.223 -0.166 0.000 2.305 835 L HA 0.644 4.984 4.340 0.000 0.000 0.284 835 L C -0.644 176.096 176.870 -0.216 0.000 1.013 835 L CA -0.060 54.689 54.840 -0.152 0.000 0.819 835 L CB 1.117 43.108 42.059 -0.114 0.000 1.227 835 L HN 0.409 nan 8.230 nan 0.000 0.417 836 I N 3.657 124.100 120.570 -0.210 0.000 2.525 836 I HA 0.502 4.672 4.170 0.000 0.000 0.301 836 I C 0.115 176.190 176.117 -0.069 0.000 0.992 836 I CA -0.493 60.637 61.300 -0.284 0.000 1.162 836 I CB 1.813 39.410 38.000 -0.671 0.000 1.332 836 I HN 0.510 nan 8.210 nan 0.000 0.458 837 T N 3.706 118.218 114.554 -0.071 0.000 3.038 837 T HA 0.368 4.718 4.350 0.000 0.000 0.344 837 T C -0.001 174.720 174.700 0.035 0.000 1.054 837 T CA -0.580 61.530 62.100 0.017 0.000 1.092 837 T CB 0.760 69.619 68.868 -0.015 0.000 1.031 837 T HN 0.758 nan 8.240 nan 0.000 0.482 838 T N 0.339 114.974 114.554 0.135 0.000 2.929 838 T HA 0.862 5.212 4.350 0.000 0.000 0.284 838 T C -0.313 174.427 174.700 0.067 0.000 1.014 838 T CA -1.046 61.100 62.100 0.075 0.000 1.051 838 T CB 1.882 70.888 68.868 0.231 0.000 1.028 838 T HN 0.580 nan 8.240 nan 0.000 0.485 839 A N 2.046 124.810 122.820 -0.093 0.000 2.476 839 A HA 0.634 4.954 4.320 0.000 0.000 0.280 839 A C -1.090 176.405 177.584 -0.147 0.000 1.081 839 A CA -0.835 51.198 52.037 -0.006 0.000 0.753 839 A CB 0.417 19.425 19.000 0.013 0.000 1.248 839 A HN 0.978 nan 8.150 nan 0.000 0.424 840 H N 0.603 119.725 119.070 0.085 0.000 2.651 840 H HA 0.875 5.431 4.556 0.000 0.000 0.353 840 H C 0.158 175.485 175.328 -0.001 0.000 1.178 840 H CA 0.132 56.130 56.048 -0.084 0.000 1.224 840 H CB 2.020 31.608 29.762 -0.290 0.000 1.702 840 H HN 0.983 nan 8.280 nan 0.000 0.550 841 A N 1.239 124.036 122.820 -0.038 0.000 2.459 841 A HA 0.380 4.700 4.320 0.000 0.000 0.296 841 A C -1.634 175.966 177.584 0.028 0.000 1.039 841 A CA -0.744 51.368 52.037 0.126 0.000 0.698 841 A CB 1.182 20.227 19.000 0.074 0.000 1.261 841 A HN 0.569 nan 8.150 nan 0.000 0.405 842 W N 1.895 123.229 121.300 0.057 0.000 2.520 842 W HA 0.541 5.201 4.660 0.000 0.000 0.323 842 W C -0.221 176.229 176.519 -0.116 0.000 1.062 842 W CA -0.364 56.976 57.345 -0.008 0.000 1.215 842 W CB 1.831 31.277 29.460 -0.023 0.000 1.340 842 W HN 0.833 nan 8.180 nan 0.000 0.516 843 Q N 1.729 121.624 119.800 0.158 0.000 2.501 843 Q HA 0.445 4.785 4.340 0.000 0.000 0.288 843 Q C -1.254 174.831 176.000 0.141 0.000 1.051 843 Q CA -1.045 54.810 55.803 0.087 0.000 0.788 843 Q CB 3.499 32.269 28.738 0.052 0.000 1.469 843 Q HN 0.399 nan 8.270 nan 0.000 0.416 844 H N 0.923 119.999 119.070 0.010 0.000 3.042 844 H HA 0.109 4.665 4.556 0.000 0.000 0.345 844 H C -0.834 174.513 175.328 0.032 0.000 1.052 844 H CA -0.064 56.004 56.048 0.034 0.000 1.311 844 H CB 1.363 31.148 29.762 0.039 0.000 1.810 844 H HN 0.906 nan 8.280 nan 0.000 0.505 845 Q N 2.929 122.615 119.800 -0.190 0.000 2.468 845 Q HA -0.227 4.113 4.340 0.000 0.000 0.256 845 Q C 0.734 176.758 176.000 0.041 0.000 0.984 845 Q CA 1.388 57.173 55.803 -0.029 0.000 1.110 845 Q CB -1.317 27.442 28.738 0.036 0.000 1.527 845 Q HN 1.154 nan 8.270 nan 0.000 0.535 846 G N 0.222 109.041 108.800 0.032 0.000 2.171 846 G HA2 -0.304 3.656 3.960 0.000 0.000 0.238 846 G HA3 -0.304 3.656 3.960 0.000 0.000 0.238 846 G C -0.357 174.572 174.900 0.049 0.000 1.039 846 G CA 0.373 45.492 45.100 0.033 0.000 0.759 846 G HN 0.228 nan 8.290 nan 0.000 0.501 847 K N 0.876 121.317 120.400 0.069 0.000 2.413 847 K HA 0.647 4.967 4.320 0.000 0.000 0.257 847 K C 0.275 176.889 176.600 0.023 0.000 0.946 847 K CA -0.323 55.998 56.287 0.056 0.000 0.823 847 K CB 1.004 33.551 32.500 0.078 0.000 1.109 847 K HN 0.071 nan 8.250 nan 0.000 0.427 848 T N 5.709 120.267 114.554 0.006 0.000 2.738 848 T HA 0.203 4.553 4.350 0.000 0.000 0.294 848 T C 1.232 175.869 174.700 -0.104 0.000 0.914 848 T CA -0.487 61.603 62.100 -0.018 0.000 1.052 848 T CB 0.188 69.070 68.868 0.023 0.000 0.897 848 T HN 0.528 nan 8.240 nan 0.000 0.522 849 L N 1.425 122.469 121.223 -0.299 0.000 2.102 849 L HA 0.297 4.637 4.340 0.000 0.000 0.202 849 L C -0.068 176.408 176.870 -0.656 0.000 1.076 849 L CA 0.800 55.243 54.840 -0.662 0.000 0.761 849 L CB -0.112 41.136 42.059 -1.351 0.000 0.921 849 L HN 0.473 nan 8.230 nan 0.000 0.444 850 F N -0.828 119.038 119.950 -0.141 0.000 2.599 850 F HA 0.588 5.115 4.527 0.000 0.000 0.311 850 F C -0.441 175.450 175.800 0.151 0.000 1.076 850 F CA -1.310 56.572 58.000 -0.196 0.000 0.937 850 F CB 1.439 39.913 39.000 -0.877 0.000 1.282 850 F HN -0.290 nan 8.300 nan 0.000 0.460 851 I N 1.632 122.427 120.570 0.377 0.000 2.439 851 I HA 0.306 4.476 4.170 0.000 0.000 0.283 851 I C -0.577 175.825 176.117 0.475 0.000 1.023 851 I CA -0.418 61.130 61.300 0.414 0.000 1.100 851 I CB 1.888 40.043 38.000 0.259 0.000 1.238 851 I HN 0.588 nan 8.210 nan 0.000 0.445 852 S N 6.730 122.849 115.700 0.698 0.000 2.489 852 S HA 0.584 5.054 4.470 0.000 0.000 0.291 852 S C -0.450 174.417 174.600 0.444 0.000 1.151 852 S CA -0.572 58.001 58.200 0.622 0.000 1.082 852 S CB 0.726 64.439 63.200 0.856 0.000 1.019 852 S HN 0.549 nan 8.310 nan 0.000 0.492 853 R N 3.536 124.214 120.500 0.297 0.000 2.521 853 R HA 0.346 4.686 4.340 0.000 0.000 0.295 853 R C -0.791 175.582 176.300 0.122 0.000 1.183 853 R CA -0.591 55.631 56.100 0.202 0.000 0.957 853 R CB 1.581 31.970 30.300 0.149 0.000 1.171 853 R HN 0.633 nan 8.270 nan 0.000 0.494 854 K N 0.455 120.936 120.400 0.134 0.000 2.316 854 K HA 0.650 4.970 4.320 0.000 0.000 0.234 854 K C -0.301 176.302 176.600 0.006 0.000 1.054 854 K CA -0.948 55.333 56.287 -0.010 0.000 0.879 854 K CB 1.809 34.206 32.500 -0.172 0.000 1.252 854 K HN 0.402 nan 8.250 nan 0.000 0.471 855 T N -1.167 113.310 114.554 -0.129 0.000 3.295 855 T HA 0.407 4.757 4.350 0.000 0.000 0.331 855 T C -1.699 172.924 174.700 -0.129 0.000 1.142 855 T CA -0.854 61.231 62.100 -0.025 0.000 1.078 855 T CB 0.242 69.105 68.868 -0.010 0.000 1.150 855 T HN 0.428 nan 8.240 nan 0.000 0.465 856 Y N 1.971 122.240 120.300 -0.051 0.000 2.377 856 Y HA 0.793 5.343 4.550 0.000 0.000 0.339 856 Y C 0.659 176.485 175.900 -0.123 0.000 1.011 856 Y CA -1.353 56.718 58.100 -0.048 0.000 1.093 856 Y CB 1.670 40.127 38.460 -0.006 0.000 1.201 856 Y HN 0.895 nan 8.280 nan 0.000 0.455 857 R N 4.303 124.824 120.500 0.034 0.000 2.569 857 R HA 0.508 4.848 4.340 0.000 0.000 0.293 857 R C -2.087 174.149 176.300 -0.107 0.000 1.186 857 R CA -0.297 55.771 56.100 -0.054 0.000 0.956 857 R CB 0.509 30.785 30.300 -0.041 0.000 1.196 857 R HN 0.799 nan 8.270 nan 0.000 0.444 858 I N 3.582 124.030 120.570 -0.204 0.000 2.396 858 I HA 0.322 4.492 4.170 0.000 0.000 0.292 858 I C -0.151 175.846 176.117 -0.200 0.000 0.999 858 I CA -0.755 60.351 61.300 -0.323 0.000 1.310 858 I CB 1.296 38.936 38.000 -0.600 0.000 1.404 858 I HN 0.675 nan 8.210 nan 0.000 0.496 859 D N 3.575 123.888 120.400 -0.144 0.000 2.525 859 D HA 0.303 4.943 4.640 0.000 0.000 0.249 859 D C 1.112 177.395 176.300 -0.027 0.000 1.072 859 D CA -0.721 53.239 54.000 -0.067 0.000 1.067 859 D CB 0.954 41.734 40.800 -0.034 0.000 1.282 859 D HN 0.542 nan 8.370 nan 0.000 0.587 860 G N -1.124 107.682 108.800 0.009 0.000 2.498 860 G HA2 -0.193 3.767 3.960 0.000 0.000 0.219 860 G HA3 -0.193 3.767 3.960 0.000 0.000 0.219 860 G C 1.125 176.060 174.900 0.058 0.000 1.119 860 G CA 1.121 46.247 45.100 0.044 0.000 0.766 860 G HN 0.537 nan 8.290 nan 0.000 0.552 861 S N -0.655 115.071 115.700 0.043 0.000 2.562 861 S HA 0.348 4.818 4.470 0.000 0.000 0.221 861 S C 1.657 176.297 174.600 0.066 0.000 0.975 861 S CA 0.751 58.983 58.200 0.054 0.000 0.918 861 S CB -0.047 63.182 63.200 0.048 0.000 0.772 861 S HN 1.459 nan 8.310 nan 0.000 0.531 862 G N 1.140 109.977 108.800 0.062 0.000 2.298 862 G HA2 -0.214 3.746 3.960 0.000 0.000 0.287 862 G HA3 -0.214 3.746 3.960 0.000 0.000 0.287 862 G C -0.443 174.509 174.900 0.087 0.000 1.075 862 G CA -0.131 45.045 45.100 0.126 0.000 0.960 862 G HN 0.600 nan 8.290 nan 0.000 0.502 863 Q N -0.707 119.093 119.800 -0.002 0.000 2.340 863 Q HA 0.625 4.965 4.340 0.000 0.000 0.268 863 Q C -0.002 175.964 176.000 -0.057 0.000 1.031 863 Q CA -0.619 55.192 55.803 0.014 0.000 0.804 863 Q CB 2.030 30.791 28.738 0.038 0.000 1.286 863 Q HN 0.448 nan 8.270 nan 0.000 0.448 864 M N 1.979 121.564 119.600 -0.024 0.000 2.205 864 M HA 0.594 5.074 4.480 0.000 0.000 0.344 864 M C -1.366 174.983 176.300 0.081 0.000 1.085 864 M CA -0.529 54.742 55.300 -0.049 0.000 1.001 864 M CB 1.221 33.736 32.600 -0.142 0.000 1.626 864 M HN 0.738 nan 8.290 nan 0.000 0.442 865 A N 7.461 130.310 122.820 0.049 0.000 2.316 865 A HA 0.572 4.892 4.320 0.000 0.000 0.324 865 A C -0.408 177.192 177.584 0.026 0.000 1.375 865 A CA -0.753 51.322 52.037 0.062 0.000 0.882 865 A CB 0.056 19.080 19.000 0.039 0.000 1.152 865 A HN 0.904 nan 8.150 nan 0.000 0.512 866 I N 0.990 121.575 120.570 0.024 0.000 2.823 866 I HA 0.405 4.575 4.170 0.000 0.000 0.290 866 I C 0.263 176.266 176.117 -0.189 0.000 1.091 866 I CA -0.025 61.196 61.300 -0.132 0.000 1.365 866 I CB 1.297 39.235 38.000 -0.104 0.000 1.427 866 I HN 0.442 nan 8.210 nan 0.000 0.583 867 T N 3.724 118.095 114.554 -0.305 0.000 3.335 867 T HA 0.375 4.725 4.350 0.000 0.000 0.321 867 T C -0.674 173.789 174.700 -0.394 0.000 0.960 867 T CA -0.383 61.535 62.100 -0.303 0.000 1.034 867 T CB 1.379 70.162 68.868 -0.142 0.000 1.040 867 T HN 0.292 nan 8.240 nan 0.000 0.454 868 V N 3.235 122.757 119.914 -0.653 0.000 2.513 868 V HA 0.631 4.751 4.120 0.000 0.000 0.299 868 V C -0.405 175.438 176.094 -0.419 0.000 1.035 868 V CA -0.808 61.136 62.300 -0.593 0.000 0.889 868 V CB 2.025 33.264 31.823 -0.974 0.000 0.988 868 V HN 0.809 nan 8.190 nan 0.000 0.440 869 D N 3.043 123.394 120.400 -0.081 0.000 2.358 869 D HA 0.384 5.024 4.640 0.000 0.000 0.253 869 D C -0.925 175.490 176.300 0.191 0.000 1.288 869 D CA -0.002 54.059 54.000 0.102 0.000 0.950 869 D CB 2.438 43.329 40.800 0.151 0.000 1.197 869 D HN 0.289 nan 8.370 nan 0.000 0.550 870 V N 1.582 121.650 119.914 0.257 0.000 2.716 870 V HA 0.382 4.502 4.120 0.000 0.000 0.304 870 V C 0.276 176.509 176.094 0.231 0.000 1.053 870 V CA -0.531 61.937 62.300 0.280 0.000 0.984 870 V CB 2.368 34.382 31.823 0.318 0.000 1.021 870 V HN 0.338 nan 8.190 nan 0.000 0.467 871 E N 1.320 121.645 120.200 0.209 0.000 2.218 871 E HA 0.531 4.881 4.350 0.000 0.000 0.263 871 E C -1.548 175.158 176.600 0.177 0.000 0.879 871 E CA -0.429 56.072 56.400 0.169 0.000 0.762 871 E CB 2.360 32.149 29.700 0.148 0.000 1.166 871 E HN 0.445 nan 8.360 nan 0.000 0.415 872 V N 2.196 122.207 119.914 0.162 0.000 2.539 872 V HA 0.452 4.572 4.120 0.000 0.000 0.292 872 V C 0.369 176.559 176.094 0.160 0.000 1.045 872 V CA -0.763 61.654 62.300 0.195 0.000 0.945 872 V CB 1.536 33.452 31.823 0.155 0.000 0.993 872 V HN 0.829 nan 8.190 nan 0.000 0.464 873 A N 3.080 126.002 122.820 0.171 0.000 2.531 873 A HA 0.289 4.609 4.320 0.000 0.000 0.236 873 A C 1.568 179.232 177.584 0.133 0.000 1.062 873 A CA 0.534 52.643 52.037 0.120 0.000 0.760 873 A CB 0.179 19.231 19.000 0.087 0.000 0.995 873 A HN 1.276 nan 8.150 nan 0.000 0.501 874 S N 1.086 116.848 115.700 0.103 0.000 2.368 874 S HA -0.135 4.335 4.470 0.000 0.000 0.224 874 S C 0.730 175.415 174.600 0.141 0.000 1.029 874 S CA 1.261 59.523 58.200 0.104 0.000 0.988 874 S CB -0.387 62.858 63.200 0.076 0.000 0.838 874 S HN 0.772 nan 8.310 nan 0.000 0.462 875 D N 1.353 121.828 120.400 0.125 0.000 2.413 875 D HA 0.191 4.831 4.640 0.000 0.000 0.237 875 D C 0.214 176.611 176.300 0.163 0.000 1.171 875 D CA 0.039 54.115 54.000 0.128 0.000 0.839 875 D CB -0.306 40.546 40.800 0.087 0.000 0.950 875 D HN 0.360 nan 8.370 nan 0.000 0.499 876 T N 0.660 115.356 114.554 0.237 0.000 2.863 876 T HA 0.403 4.753 4.350 0.000 0.000 0.285 876 T C -2.835 172.118 174.700 0.422 0.000 1.009 876 T CA -2.196 60.085 62.100 0.303 0.000 0.989 876 T CB 1.590 70.667 68.868 0.348 0.000 1.004 876 T HN -0.231 nan 8.240 nan 0.000 0.455 877 P HA 0.023 nan 4.420 nan 0.000 0.261 877 P C -0.307 177.425 177.300 0.720 0.000 1.165 877 P CA 0.137 63.482 63.100 0.408 0.000 0.759 877 P CB 0.090 31.945 31.700 0.259 0.000 0.772 878 H N 3.395 122.805 119.070 0.566 0.000 2.913 878 H HA 0.177 4.733 4.556 0.000 0.000 0.365 878 H C -1.905 173.690 175.328 0.444 0.000 1.155 878 H CA -1.388 54.898 56.048 0.397 0.000 1.417 878 H CB -1.126 28.793 29.762 0.261 0.000 1.386 878 H HN 0.360 nan 8.280 nan 0.000 0.614 879 P HA 0.249 nan 4.420 nan 0.000 0.301 879 P C 0.015 177.195 177.300 -0.200 0.000 1.350 879 P CA -0.584 62.529 63.100 0.022 0.000 0.941 879 P CB 1.699 33.313 31.700 -0.144 0.000 1.128 880 A N 3.581 126.052 122.820 -0.582 0.000 2.042 880 A HA -0.166 4.154 4.320 0.000 0.000 0.222 880 A C 0.968 178.404 177.584 -0.247 0.000 1.167 880 A CA 1.737 53.522 52.037 -0.420 0.000 0.649 880 A CB -0.713 17.852 19.000 -0.724 0.000 0.809 880 A HN 0.755 nan 8.150 nan 0.000 0.457 881 R N -3.473 116.800 120.500 -0.378 0.000 2.780 881 R HA 0.683 5.023 4.340 0.000 0.000 0.280 881 R C -1.943 174.099 176.300 -0.430 0.000 1.016 881 R CA -0.863 54.975 56.100 -0.437 0.000 0.854 881 R CB 0.420 30.281 30.300 -0.731 0.000 1.293 881 R HN 0.106 nan 8.270 nan 0.000 0.483 882 I N 0.843 121.155 120.570 -0.431 0.000 2.588 882 I HA 0.594 4.764 4.170 0.000 0.000 0.278 882 I C -0.484 175.316 176.117 -0.529 0.000 1.144 882 I CA -0.283 60.769 61.300 -0.413 0.000 1.074 882 I CB 1.884 39.752 38.000 -0.221 0.000 1.235 882 I HN 0.990 nan 8.210 nan 0.000 0.472 883 G N 5.278 113.719 108.800 -0.600 0.000 2.570 883 G HA2 0.791 4.751 3.960 0.000 0.000 0.310 883 G HA3 0.791 4.751 3.960 0.000 0.000 0.310 883 G C -1.818 172.850 174.900 -0.386 0.000 1.266 883 G CA -0.661 44.128 45.100 -0.519 0.000 0.825 883 G HN 0.324 nan 8.290 nan 0.000 0.483 884 L N -0.144 120.920 121.223 -0.265 0.000 2.354 884 L HA 0.785 5.125 4.340 0.000 0.000 0.264 884 L C -0.750 175.998 176.870 -0.204 0.000 1.008 884 L CA -1.148 53.564 54.840 -0.214 0.000 0.819 884 L CB 2.267 44.282 42.059 -0.073 0.000 1.339 884 L HN 0.720 nan 8.230 nan 0.000 0.420 885 N N 0.515 119.125 118.700 -0.150 0.000 2.357 885 N HA 0.798 5.538 4.740 0.000 0.000 0.284 885 N C -1.144 174.374 175.510 0.013 0.000 1.236 885 N CA -0.596 52.417 53.050 -0.062 0.000 0.774 885 N CB 2.213 40.694 38.487 -0.011 0.000 1.534 885 N HN 1.066 nan 8.380 nan 0.000 0.478 886 C N -1.257 118.074 119.300 0.051 0.000 3.284 886 C HA 0.562 5.022 4.460 0.000 0.000 0.338 886 C C -1.060 173.801 174.990 -0.216 0.000 1.237 886 C CA -0.869 58.130 59.018 -0.033 0.000 1.276 886 C CB 1.012 28.748 27.740 -0.006 0.000 1.601 886 C HN 0.863 nan 8.230 nan 0.000 0.494 887 Q N 1.845 121.289 119.800 -0.594 0.000 2.340 887 Q HA 0.640 4.980 4.340 0.000 0.000 0.259 887 Q C -0.945 174.769 176.000 -0.476 0.000 0.964 887 Q CA -0.429 54.803 55.803 -0.952 0.000 0.900 887 Q CB 0.832 28.533 28.738 -1.728 0.000 1.228 887 Q HN 0.798 nan 8.270 nan 0.000 0.449 888 L N 2.775 123.812 121.223 -0.310 0.000 2.371 888 L HA 0.316 4.656 4.340 0.000 0.000 0.272 888 L C 1.140 177.904 176.870 -0.177 0.000 1.124 888 L CA -0.332 54.407 54.840 -0.168 0.000 0.816 888 L CB 0.870 42.896 42.059 -0.055 0.000 1.129 888 L HN 0.794 nan 8.230 nan 0.000 0.448 889 A N 2.150 124.882 122.820 -0.146 0.000 1.968 889 A HA -0.100 4.220 4.320 0.000 0.000 0.217 889 A C 1.149 178.674 177.584 -0.097 0.000 1.169 889 A CA 0.590 52.548 52.037 -0.133 0.000 0.638 889 A CB -0.231 18.690 19.000 -0.131 0.000 0.812 889 A HN 0.808 nan 8.150 nan 0.000 0.446 890 Q N -0.528 119.222 119.800 -0.083 0.000 2.417 890 Q HA 0.440 4.780 4.340 0.000 0.000 0.241 890 Q C -1.140 174.801 176.000 -0.099 0.000 1.008 890 Q CA 0.367 56.107 55.803 -0.106 0.000 0.901 890 Q CB 0.847 29.500 28.738 -0.143 0.000 1.259 890 Q HN 0.137 nan 8.270 nan 0.000 0.489 891 V N 2.638 122.480 119.914 -0.120 0.000 2.577 891 V HA 0.732 4.852 4.120 0.000 0.000 0.294 891 V C -0.966 175.087 176.094 -0.069 0.000 1.052 891 V CA -0.089 62.193 62.300 -0.030 0.000 0.891 891 V CB 1.245 33.069 31.823 0.000 0.000 1.017 891 V HN 0.927 nan 8.190 nan 0.000 0.436 892 A N 3.379 126.171 122.820 -0.047 0.000 2.344 892 A HA 0.894 5.214 4.320 0.000 0.000 0.307 892 A C 0.672 178.358 177.584 0.169 0.000 1.151 892 A CA -0.301 51.729 52.037 -0.011 0.000 0.842 892 A CB 1.343 20.225 19.000 -0.197 0.000 1.350 892 A HN 0.612 nan 8.150 nan 0.000 0.459 893 E N 0.030 120.301 120.200 0.118 0.000 2.076 893 E HA 0.046 4.396 4.350 0.000 0.000 0.190 893 E C 0.343 177.034 176.600 0.152 0.000 0.979 893 E CA 1.126 57.594 56.400 0.113 0.000 0.807 893 E CB 0.082 29.821 29.700 0.066 0.000 0.761 893 E HN 0.540 nan 8.360 nan 0.000 0.454 894 R N -0.994 119.624 120.500 0.197 0.000 2.808 894 R HA 0.567 4.907 4.340 0.000 0.000 0.272 894 R C -1.052 175.425 176.300 0.296 0.000 0.995 894 R CA -0.823 55.399 56.100 0.205 0.000 0.917 894 R CB 2.396 32.783 30.300 0.145 0.000 1.217 894 R HN -0.206 nan 8.270 nan 0.000 0.471 895 V N 1.620 121.692 119.914 0.263 0.000 2.555 895 V HA 0.444 4.564 4.120 0.000 0.000 0.302 895 V C -0.374 175.946 176.094 0.377 0.000 1.038 895 V CA -0.844 61.638 62.300 0.303 0.000 0.887 895 V CB 1.747 33.722 31.823 0.253 0.000 0.991 895 V HN 0.716 nan 8.190 nan 0.000 0.434 896 N N 2.942 121.871 118.700 0.382 0.000 2.284 896 N HA 0.621 5.361 4.740 0.000 0.000 0.289 896 N C -1.622 174.154 175.510 0.443 0.000 1.179 896 N CA -0.452 52.777 53.050 0.299 0.000 0.774 896 N CB 3.279 41.848 38.487 0.136 0.000 1.548 896 N HN 0.851 nan 8.380 nan 0.000 0.473 897 W N 1.817 123.160 121.300 0.072 0.000 3.079 897 W HA 0.489 5.149 4.660 0.000 0.000 0.329 897 W C -2.560 173.948 176.519 -0.019 0.000 1.181 897 W CA -0.877 56.499 57.345 0.051 0.000 1.160 897 W CB 0.279 29.813 29.460 0.123 0.000 1.423 897 W HN 0.283 nan 8.180 nan 0.000 0.566 898 L N 3.812 125.109 121.223 0.123 0.000 2.324 898 L HA 0.907 5.247 4.340 0.000 0.000 0.274 898 L C 0.194 177.097 176.870 0.055 0.000 1.012 898 L CA 0.668 55.415 54.840 -0.154 0.000 0.859 898 L CB 0.859 42.836 42.059 -0.137 0.000 1.224 898 L HN 1.098 nan 8.230 nan 0.000 0.429 899 G N 3.098 111.891 108.800 -0.013 0.000 2.335 899 G HA2 0.177 4.137 3.960 0.000 0.000 0.291 899 G HA3 0.177 4.137 3.960 0.000 0.000 0.291 899 G C -1.531 173.574 174.900 0.341 0.000 1.261 899 G CA -1.070 44.164 45.100 0.223 0.000 0.871 899 G HN 0.254 nan 8.290 nan 0.000 0.491 900 L N 1.602 123.010 121.223 0.308 0.000 2.500 900 L HA 0.501 4.841 4.340 0.000 0.000 0.272 900 L C 1.051 177.983 176.870 0.104 0.000 1.149 900 L CA 0.771 55.716 54.840 0.175 0.000 0.897 900 L CB -0.093 42.001 42.059 0.059 0.000 1.178 900 L HN 0.936 nan 8.230 nan 0.000 0.473 901 G N 3.877 112.583 108.800 -0.156 0.000 2.663 901 G HA2 0.439 4.399 3.960 0.000 0.000 0.299 901 G HA3 0.439 4.399 3.960 0.000 0.000 0.299 901 G C -2.770 171.367 174.900 -1.271 0.000 1.372 901 G CA -0.449 44.184 45.100 -0.779 0.000 0.781 901 G HN 0.220 nan 8.290 nan 0.000 0.491 902 P HA 0.138 nan 4.420 nan 0.000 0.239 902 P C 0.409 177.493 177.300 -0.360 0.000 1.188 902 P CA 0.592 63.100 63.100 -0.987 0.000 0.794 902 P CB 0.434 31.668 31.700 -0.776 0.000 0.937 903 Q N 0.268 119.860 119.800 -0.347 0.000 2.212 903 Q HA 0.153 4.493 4.340 0.000 0.000 0.238 903 Q C 0.314 176.190 176.000 -0.207 0.000 0.955 903 Q CA -0.717 54.952 55.803 -0.223 0.000 0.906 903 Q CB 0.941 29.569 28.738 -0.183 0.000 1.215 903 Q HN 0.147 nan 8.270 nan 0.000 0.478 904 E N 1.721 121.815 120.200 -0.176 0.000 2.608 904 E HA -0.139 4.211 4.350 0.000 0.000 0.259 904 E C -1.128 175.433 176.600 -0.065 0.000 0.951 904 E CA 0.349 56.665 56.400 -0.140 0.000 0.945 904 E CB 0.196 29.858 29.700 -0.063 0.000 0.916 904 E HN 0.616 nan 8.360 nan 0.000 0.477 905 N N 2.950 121.587 118.700 -0.105 0.000 2.324 905 N HA 0.294 5.034 4.740 0.000 0.000 0.285 905 N C -1.860 173.588 175.510 -0.103 0.000 1.076 905 N CA -0.701 52.330 53.050 -0.031 0.000 0.864 905 N CB 0.743 39.169 38.487 -0.101 0.000 1.632 905 N HN 0.216 nan 8.380 nan 0.000 0.478 906 Y N 0.657 120.855 120.300 -0.171 0.000 2.621 906 Y HA 0.532 5.082 4.550 0.000 0.000 0.334 906 Y C -1.559 174.254 175.900 -0.146 0.000 1.074 906 Y CA -2.189 55.793 58.100 -0.196 0.000 1.149 906 Y CB 1.207 39.512 38.460 -0.259 0.000 1.302 906 Y HN 0.423 nan 8.280 nan 0.000 0.501 907 P HA -0.168 nan 4.420 nan 0.000 0.215 907 P C 0.232 177.483 177.300 -0.082 0.000 1.157 907 P CA 2.113 65.254 63.100 0.069 0.000 0.874 907 P CB 0.130 31.948 31.700 0.197 0.000 0.790 908 D N -1.495 118.634 120.400 -0.452 0.000 2.706 908 D HA 0.063 4.703 4.640 0.000 0.000 0.236 908 D C 0.295 176.405 176.300 -0.316 0.000 1.231 908 D CA -0.230 53.255 54.000 -0.858 0.000 0.828 908 D CB -0.478 39.394 40.800 -1.547 0.000 1.015 908 D HN 0.094 nan 8.370 nan 0.000 0.484 909 R N 0.874 121.303 120.500 -0.119 0.000 2.880 909 R HA 0.111 4.451 4.340 0.000 0.000 0.189 909 R C -0.931 175.381 176.300 0.020 0.000 1.460 909 R CA -0.113 55.969 56.100 -0.030 0.000 1.164 909 R CB -0.257 30.011 30.300 -0.054 0.000 1.533 909 R HN 0.177 nan 8.270 nan 0.000 0.666 910 L N -1.825 119.425 121.223 0.046 0.000 3.519 910 L HA 0.371 4.711 4.340 0.000 0.000 0.323 910 L C 1.119 178.035 176.870 0.076 0.000 1.289 910 L CA 0.070 54.938 54.840 0.047 0.000 1.039 910 L CB 0.540 42.620 42.059 0.035 0.000 1.438 910 L HN 0.099 nan 8.230 nan 0.000 0.619 911 T N -3.123 111.500 114.554 0.114 0.000 2.995 911 T HA 0.110 4.460 4.350 0.000 0.000 0.269 911 T C 1.685 176.417 174.700 0.053 0.000 1.091 911 T CA 1.120 63.313 62.100 0.154 0.000 1.128 911 T CB -0.123 68.894 68.868 0.249 0.000 0.891 911 T HN 0.404 nan 8.240 nan 0.000 0.492 912 A N 1.313 124.171 122.820 0.063 0.000 2.072 912 A HA 0.691 5.011 4.320 0.000 0.000 0.216 912 A C 1.594 179.252 177.584 0.124 0.000 1.156 912 A CA 0.367 52.425 52.037 0.034 0.000 0.701 912 A CB -0.656 18.463 19.000 0.199 0.000 0.816 912 A HN 0.758 nan 8.150 nan 0.000 0.458 913 A N -0.247 122.586 122.820 0.022 0.000 2.362 913 A HA 0.465 4.785 4.320 0.000 0.000 0.276 913 A C 0.161 177.740 177.584 -0.008 0.000 1.153 913 A CA -0.338 51.667 52.037 -0.052 0.000 0.813 913 A CB -0.442 18.521 19.000 -0.062 0.000 1.081 913 A HN 0.456 nan 8.150 nan 0.000 0.507 914 C N 1.733 121.011 119.300 -0.037 0.000 2.405 914 C HA 0.460 4.920 4.460 0.000 0.000 0.365 914 C C 0.375 175.418 174.990 0.089 0.000 1.233 914 C CA -0.506 58.528 59.018 0.027 0.000 2.230 914 C CB -0.161 27.587 27.740 0.014 0.000 2.443 914 C HN 0.776 nan 8.230 nan 0.000 0.556 915 F N 2.549 122.296 119.950 -0.339 0.000 2.472 915 F HA 0.460 4.987 4.527 0.000 0.000 0.364 915 F C 0.137 175.671 175.800 -0.442 0.000 1.090 915 F CA 0.811 58.535 58.000 -0.460 0.000 1.188 915 F CB -0.086 38.193 39.000 -1.203 0.000 1.105 915 F HN 0.764 nan 8.300 nan 0.000 0.536 916 D N 2.843 122.777 120.400 -0.775 0.000 2.851 916 D HA 0.272 4.912 4.640 0.000 0.000 0.339 916 D C -1.597 173.893 176.300 -1.349 0.000 1.347 916 D CA -0.894 52.447 54.000 -1.099 0.000 0.888 916 D CB 1.056 41.144 40.800 -1.187 0.000 1.431 916 D HN 0.534 nan 8.370 nan 0.000 0.509 917 R N 0.691 120.387 120.500 -1.340 0.000 2.198 917 R HA 0.528 4.868 4.340 0.000 0.000 0.339 917 R C -1.566 173.921 176.300 -1.356 0.000 1.020 917 R CA -0.332 55.122 56.100 -1.077 0.000 0.864 917 R CB 0.262 30.172 30.300 -0.651 0.000 1.105 917 R HN 0.331 nan 8.270 nan 0.000 0.463 918 W N 2.902 123.618 121.300 -0.974 0.000 2.632 918 W HA 0.325 4.985 4.660 0.000 0.000 0.328 918 W C -0.708 175.300 176.519 -0.851 0.000 1.044 918 W CA -0.828 55.878 57.345 -1.066 0.000 1.225 918 W CB 1.924 30.322 29.460 -1.769 0.000 1.396 918 W HN 0.470 nan 8.180 nan 0.000 0.499 919 D N 3.442 123.707 120.400 -0.224 0.000 2.440 919 D HA 0.517 5.157 4.640 0.000 0.000 0.252 919 D C -0.942 175.387 176.300 0.048 0.000 1.180 919 D CA -0.067 53.901 54.000 -0.054 0.000 0.894 919 D CB 0.538 41.305 40.800 -0.055 0.000 1.111 919 D HN 0.240 nan 8.370 nan 0.000 0.544 920 L N 2.609 123.923 121.223 0.152 0.000 2.257 920 L HA 0.704 5.044 4.340 0.000 0.000 0.257 920 L C -2.257 174.702 176.870 0.149 0.000 1.033 920 L CA -2.572 52.355 54.840 0.145 0.000 0.835 920 L CB 1.841 44.002 42.059 0.171 0.000 1.398 920 L HN 0.125 nan 8.230 nan 0.000 0.429 921 P HA 0.088 nan 4.420 nan 0.000 0.275 921 P C 0.459 177.826 177.300 0.112 0.000 1.227 921 P CA -0.351 62.811 63.100 0.103 0.000 0.781 921 P CB 0.823 32.568 31.700 0.073 0.000 0.906 922 L N 3.877 125.170 121.223 0.117 0.000 2.103 922 L HA -0.299 4.041 4.340 0.000 0.000 0.215 922 L C 2.016 178.933 176.870 0.078 0.000 1.080 922 L CA 2.605 57.501 54.840 0.094 0.000 0.764 922 L CB -1.412 40.712 42.059 0.108 0.000 0.890 922 L HN 0.408 nan 8.230 nan 0.000 0.435 923 S N -1.276 114.473 115.700 0.082 0.000 2.374 923 S HA -0.225 4.245 4.470 0.000 0.000 0.227 923 S C 1.560 176.217 174.600 0.096 0.000 1.037 923 S CA 1.380 59.633 58.200 0.088 0.000 1.024 923 S CB -0.965 62.277 63.200 0.071 0.000 0.861 923 S HN 0.558 nan 8.310 nan 0.000 0.456 924 D N 1.488 121.930 120.400 0.069 0.000 2.378 924 D HA 0.071 4.711 4.640 0.000 0.000 0.227 924 D C 1.087 177.393 176.300 0.011 0.000 1.012 924 D CA 0.607 54.629 54.000 0.036 0.000 0.905 924 D CB -0.196 40.627 40.800 0.039 0.000 0.895 924 D HN 0.504 nan 8.370 nan 0.000 0.532 925 M N -0.344 119.276 119.600 0.035 0.000 2.549 925 M HA 0.151 4.631 4.480 0.000 0.000 0.273 925 M C -0.387 175.928 176.300 0.025 0.000 1.213 925 M CA -0.291 54.994 55.300 -0.026 0.000 0.976 925 M CB -0.321 32.246 32.600 -0.055 0.000 1.457 925 M HN -0.094 nan 8.290 nan 0.000 0.485 926 Y N 0.510 120.754 120.300 -0.093 0.000 2.361 926 Y HA 0.482 5.032 4.550 0.000 0.000 0.337 926 Y C -0.907 174.878 175.900 -0.191 0.000 0.965 926 Y CA -0.556 57.480 58.100 -0.107 0.000 1.091 926 Y CB 1.502 39.951 38.460 -0.018 0.000 1.182 926 Y HN -0.054 nan 8.280 nan 0.000 0.450 927 T N 9.337 123.362 114.554 -0.882 0.000 2.801 927 T HA 0.241 4.591 4.350 0.000 0.000 0.306 927 T C -2.337 171.511 174.700 -1.421 0.000 1.020 927 T CA -1.481 59.999 62.100 -1.034 0.000 0.948 927 T CB 1.050 69.340 68.868 -0.963 0.000 0.962 927 T HN 0.474 nan 8.240 nan 0.000 0.465 928 P HA -0.038 nan 4.420 nan 0.000 0.288 928 P C -0.305 176.781 177.300 -0.356 0.000 1.448 928 P CA -0.193 62.406 63.100 -0.835 0.000 0.764 928 P CB -0.770 30.587 31.700 -0.572 0.000 1.472 929 Y N -0.157 120.010 120.300 -0.221 0.000 2.863 929 Y HA -0.121 4.429 4.550 0.000 0.000 0.359 929 Y C 2.244 178.165 175.900 0.036 0.000 1.312 929 Y CA -0.293 57.775 58.100 -0.054 0.000 1.650 929 Y CB -0.875 37.511 38.460 -0.123 0.000 1.201 929 Y HN -0.164 nan 8.280 nan 0.000 0.531 930 V N 3.905 124.014 119.914 0.325 0.000 2.311 930 V HA -0.327 3.793 4.120 0.000 0.000 0.256 930 V C 0.770 177.037 176.094 0.289 0.000 1.077 930 V CA 1.965 64.430 62.300 0.275 0.000 1.067 930 V CB -0.653 31.353 31.823 0.304 0.000 0.659 930 V HN 0.623 nan 8.190 nan 0.000 0.451 931 F N 3.563 123.549 119.950 0.060 0.000 2.332 931 F HA 0.590 5.117 4.527 0.000 0.000 0.368 931 F C -2.303 173.496 175.800 -0.001 0.000 1.110 931 F CA -3.819 54.181 58.000 0.001 0.000 1.087 931 F CB 0.793 39.685 39.000 -0.180 0.000 1.235 931 F HN -0.045 nan 8.300 nan 0.000 0.470 932 P HA 0.317 nan 4.420 nan 0.000 0.270 932 P C -0.902 176.249 177.300 -0.249 0.000 1.223 932 P CA 0.107 63.097 63.100 -0.183 0.000 0.785 932 P CB 1.482 33.079 31.700 -0.172 0.000 0.923 933 S N -1.259 114.401 115.700 -0.065 0.000 2.655 933 S HA 0.263 4.733 4.470 0.000 0.000 0.263 933 S C -0.826 173.793 174.600 0.032 0.000 1.091 933 S CA -0.941 57.240 58.200 -0.032 0.000 0.865 933 S CB -0.051 63.160 63.200 0.019 0.000 1.146 933 S HN 0.437 nan 8.310 nan 0.000 0.482 934 E N 1.402 121.629 120.200 0.046 0.000 2.604 934 E HA 0.323 4.673 4.350 0.000 0.000 0.267 934 E C 0.056 176.733 176.600 0.129 0.000 0.970 934 E CA 1.582 58.033 56.400 0.084 0.000 0.956 934 E CB -0.329 29.446 29.700 0.124 0.000 0.939 934 E HN 0.885 nan 8.360 nan 0.000 0.465 935 N N 0.851 119.640 118.700 0.147 0.000 3.441 935 N HA 0.395 5.135 4.740 0.000 0.000 0.313 935 N C 0.577 176.132 175.510 0.075 0.000 1.526 935 N CA -0.545 52.599 53.050 0.157 0.000 0.871 935 N CB -0.136 38.356 38.487 0.009 0.000 1.779 935 N HN 0.671 nan 8.380 nan 0.000 0.529 936 G N -1.006 107.774 108.800 -0.033 0.000 2.249 936 G HA2 -0.335 3.625 3.960 0.000 0.000 0.273 936 G HA3 -0.335 3.625 3.960 0.000 0.000 0.273 936 G C 0.093 174.812 174.900 -0.302 0.000 0.995 936 G CA 1.090 46.096 45.100 -0.156 0.000 0.671 936 G HN 0.661 nan 8.290 nan 0.000 0.539 937 L N 0.274 121.312 121.223 -0.309 0.000 2.510 937 L HA 0.297 4.637 4.340 0.000 0.000 0.300 937 L C 1.087 177.495 176.870 -0.770 0.000 1.283 937 L CA 0.971 55.409 54.840 -0.670 0.000 0.834 937 L CB 0.373 41.780 42.059 -1.086 0.000 1.085 937 L HN 0.478 nan 8.230 nan 0.000 0.545 938 R N 2.408 122.355 120.500 -0.921 0.000 2.515 938 R HA 0.449 4.789 4.340 0.000 0.000 0.278 938 R C -1.465 174.479 176.300 -0.592 0.000 1.107 938 R CA -0.727 54.879 56.100 -0.822 0.000 0.945 938 R CB 0.163 29.901 30.300 -0.936 0.000 1.219 938 R HN 0.510 nan 8.270 nan 0.000 0.434 939 C N 0.130 119.225 119.300 -0.342 0.000 2.345 939 C HA 0.719 5.179 4.460 0.000 0.000 0.370 939 C C 1.416 176.360 174.990 -0.076 0.000 1.209 939 C CA 0.416 59.315 59.018 -0.198 0.000 2.133 939 C CB 1.048 28.704 27.740 -0.140 0.000 2.293 939 C HN 1.073 nan 8.230 nan 0.000 0.544 940 G N 2.131 110.901 108.800 -0.050 0.000 2.412 940 G HA2 -0.180 3.780 3.960 0.000 0.000 0.297 940 G HA3 -0.180 3.780 3.960 0.000 0.000 0.297 940 G C -0.071 174.859 174.900 0.050 0.000 0.965 940 G CA 0.507 45.621 45.100 0.024 0.000 1.134 940 G HN 0.828 nan 8.290 nan 0.000 0.511 941 T N -0.040 114.400 114.554 -0.191 0.000 2.817 941 T HA 0.430 4.780 4.350 0.000 0.000 0.293 941 T C 1.616 176.063 174.700 -0.421 0.000 0.964 941 T CA -0.418 61.529 62.100 -0.255 0.000 1.085 941 T CB 1.205 69.885 68.868 -0.313 0.000 0.921 941 T HN 0.386 nan 8.240 nan 0.000 0.502 942 R N 1.393 121.856 120.500 -0.061 0.000 2.225 942 R HA 0.235 4.575 4.340 0.000 0.000 0.194 942 R C 0.569 176.928 176.300 0.098 0.000 0.957 942 R CA 0.292 56.412 56.100 0.034 0.000 1.042 942 R CB 0.689 31.125 30.300 0.227 0.000 1.004 942 R HN 0.647 nan 8.270 nan 0.000 0.509 943 E N 0.766 121.037 120.200 0.119 0.000 2.335 943 E HA 0.257 4.607 4.350 0.000 0.000 0.280 943 E C -2.020 174.729 176.600 0.248 0.000 0.918 943 E CA -0.634 55.901 56.400 0.226 0.000 0.765 943 E CB 1.732 31.545 29.700 0.187 0.000 1.218 943 E HN -0.124 nan 8.360 nan 0.000 0.425 944 L N 4.010 125.421 121.223 0.312 0.000 2.438 944 L HA 0.582 4.922 4.340 0.000 0.000 0.270 944 L C -1.982 175.122 176.870 0.389 0.000 0.972 944 L CA -0.504 54.461 54.840 0.207 0.000 0.831 944 L CB 1.692 43.643 42.059 -0.180 0.000 1.273 944 L HN 0.472 nan 8.230 nan 0.000 0.405 945 N N 4.564 123.462 118.700 0.329 0.000 2.399 945 N HA 0.360 5.100 4.740 0.000 0.000 0.280 945 N C -1.892 173.883 175.510 0.443 0.000 1.008 945 N CA -0.225 53.050 53.050 0.374 0.000 0.894 945 N CB 1.940 40.563 38.487 0.227 0.000 1.273 945 N HN 0.521 nan 8.380 nan 0.000 0.486 946 Y N 1.674 122.190 120.300 0.361 0.000 2.402 946 Y HA 0.459 5.009 4.550 0.000 0.000 0.325 946 Y C 0.797 176.841 175.900 0.240 0.000 1.009 946 Y CA -0.163 58.102 58.100 0.275 0.000 1.278 946 Y CB 0.427 39.056 38.460 0.281 0.000 1.105 946 Y HN 0.868 nan 8.280 nan 0.000 0.476 947 G N 6.809 115.627 108.800 0.031 0.000 2.566 947 G HA2 -0.304 3.656 3.960 0.000 0.000 0.280 947 G HA3 -0.304 3.656 3.960 0.000 0.000 0.280 947 G C -1.465 173.431 174.900 -0.007 0.000 1.225 947 G CA -0.032 45.030 45.100 -0.064 0.000 0.966 947 G HN 0.482 nan 8.290 nan 0.000 0.560 948 P HA -0.060 nan 4.420 nan 0.000 0.219 948 P C 0.729 177.852 177.300 -0.295 0.000 1.146 948 P CA 1.803 64.788 63.100 -0.193 0.000 0.808 948 P CB -0.290 31.227 31.700 -0.306 0.000 0.779 949 H N -0.411 118.592 119.070 -0.112 0.000 2.757 949 H HA 0.388 4.944 4.556 0.000 0.000 0.370 949 H C 0.728 175.871 175.328 -0.309 0.000 1.172 949 H CA 0.336 56.183 56.048 -0.335 0.000 1.426 949 H CB 0.213 29.549 29.762 -0.709 0.000 1.438 949 H HN 0.068 nan 8.280 nan 0.000 0.612 950 Q N 2.223 121.759 119.800 -0.440 0.000 2.313 950 Q HA 0.188 4.528 4.340 0.000 0.000 0.255 950 Q C -1.919 174.039 176.000 -0.069 0.000 0.944 950 Q CA -0.637 55.113 55.803 -0.088 0.000 0.881 950 Q CB 1.190 29.946 28.738 0.030 0.000 1.375 950 Q HN 0.738 nan 8.270 nan 0.000 0.422 951 W N 3.415 124.741 121.300 0.043 0.000 2.570 951 W HA 0.743 5.403 4.660 0.000 0.000 0.337 951 W C -0.135 176.499 176.519 0.193 0.000 1.067 951 W CA -1.302 56.066 57.345 0.039 0.000 1.229 951 W CB 1.551 30.890 29.460 -0.202 0.000 1.355 951 W HN 0.360 nan 8.180 nan 0.000 0.555 952 R N 0.760 121.557 120.500 0.495 0.000 2.564 952 R HA 0.618 4.958 4.340 0.000 0.000 0.284 952 R C -0.026 176.541 176.300 0.445 0.000 1.031 952 R CA -0.458 55.891 56.100 0.415 0.000 0.904 952 R CB 2.178 32.644 30.300 0.276 0.000 1.199 952 R HN 0.891 nan 8.270 nan 0.000 0.443 953 G N 1.103 110.176 108.800 0.455 0.000 2.600 953 G HA2 0.013 3.973 3.960 0.000 0.000 0.103 953 G HA3 0.013 3.973 3.960 0.000 0.000 0.103 953 G C -1.711 173.351 174.900 0.269 0.000 1.090 953 G CA -0.229 45.120 45.100 0.415 0.000 1.090 953 G HN 0.467 nan 8.290 nan 0.000 0.500 954 D N -0.042 120.529 120.400 0.285 0.000 2.474 954 D HA 0.504 5.144 4.640 0.000 0.000 0.234 954 D C -1.120 175.197 176.300 0.028 0.000 1.323 954 D CA -0.232 53.782 54.000 0.023 0.000 0.915 954 D CB 0.526 41.375 40.800 0.082 0.000 1.487 954 D HN 0.517 nan 8.370 nan 0.000 0.524 955 F N -0.086 119.853 119.950 -0.017 0.000 2.923 955 F HA 0.625 5.152 4.527 0.000 0.000 0.323 955 F C -0.993 174.754 175.800 -0.088 0.000 1.189 955 F CA -1.003 56.922 58.000 -0.125 0.000 0.930 955 F CB 0.586 39.490 39.000 -0.160 0.000 1.414 955 F HN -0.170 nan 8.300 nan 0.000 0.496 956 Q N 1.437 121.278 119.800 0.068 0.000 2.297 956 Q HA 0.704 5.044 4.340 0.000 0.000 0.268 956 Q C -1.304 174.785 176.000 0.148 0.000 1.045 956 Q CA -0.558 55.228 55.803 -0.027 0.000 0.861 956 Q CB 2.802 31.443 28.738 -0.161 0.000 1.344 956 Q HN 0.895 nan 8.270 nan 0.000 0.452 957 F N -1.211 118.615 119.950 -0.207 0.000 2.693 957 F HA 0.682 5.209 4.527 0.000 0.000 0.309 957 F C -1.991 173.613 175.800 -0.326 0.000 1.129 957 F CA -1.065 56.785 58.000 -0.250 0.000 0.948 957 F CB 1.432 40.305 39.000 -0.212 0.000 1.315 957 F HN 0.615 nan 8.300 nan 0.000 0.447 958 N N 2.086 120.699 118.700 -0.146 0.000 2.242 958 N HA 0.701 5.441 4.740 0.000 0.000 0.292 958 N C -2.095 173.409 175.510 -0.011 0.000 1.125 958 N CA -0.746 52.179 53.050 -0.208 0.000 0.783 958 N CB 2.577 40.949 38.487 -0.192 0.000 1.558 958 N HN 1.108 nan 8.380 nan 0.000 0.472 959 I N 0.934 121.484 120.570 -0.033 0.000 2.563 959 I HA 0.537 4.707 4.170 0.000 0.000 0.285 959 I C -1.150 174.934 176.117 -0.054 0.000 1.123 959 I CA 0.043 61.302 61.300 -0.068 0.000 1.059 959 I CB 0.926 38.816 38.000 -0.184 0.000 1.229 959 I HN 0.991 nan 8.210 nan 0.000 0.442 960 S N 6.524 122.221 115.700 -0.005 0.000 2.973 960 S HA 0.584 5.054 4.470 0.000 0.000 0.317 960 S C 0.089 174.663 174.600 -0.043 0.000 1.196 960 S CA -0.939 57.267 58.200 0.010 0.000 0.894 960 S CB 1.695 64.978 63.200 0.138 0.000 1.292 960 S HN 0.602 nan 8.310 nan 0.000 0.614 961 R N -0.031 120.303 120.500 -0.277 0.000 2.466 961 R HA 0.283 4.623 4.340 0.000 0.000 0.279 961 R C -1.094 174.800 176.300 -0.677 0.000 0.976 961 R CA 0.142 55.974 56.100 -0.448 0.000 1.081 961 R CB -0.458 29.469 30.300 -0.622 0.000 1.215 961 R HN 0.579 nan 8.270 nan 0.000 0.546 962 Y N 0.386 120.632 120.300 -0.091 0.000 2.376 962 Y HA 0.223 4.773 4.550 0.000 0.000 0.340 962 Y C 0.611 176.238 175.900 -0.454 0.000 0.965 962 Y CA -1.298 56.660 58.100 -0.238 0.000 1.078 962 Y CB 1.553 39.854 38.460 -0.266 0.000 1.193 962 Y HN -0.080 nan 8.280 nan 0.000 0.452 963 S N 2.308 117.653 115.700 -0.591 0.000 2.565 963 S HA 0.069 4.539 4.470 0.000 0.000 0.276 963 S C 0.906 175.192 174.600 -0.523 0.000 1.326 963 S CA -0.753 56.803 58.200 -1.073 0.000 1.045 963 S CB 1.243 63.602 63.200 -1.403 0.000 0.918 963 S HN 0.761 nan 8.310 nan 0.000 0.505 964 Q N 1.457 120.974 119.800 -0.470 0.000 2.197 964 Q HA -0.257 4.083 4.340 0.000 0.000 0.211 964 Q C 1.991 177.869 176.000 -0.204 0.000 0.993 964 Q CA 1.958 57.610 55.803 -0.252 0.000 0.883 964 Q CB -0.399 28.224 28.738 -0.193 0.000 0.916 964 Q HN 0.868 nan 8.270 nan 0.000 0.418 965 Q N 0.230 119.879 119.800 -0.253 0.000 2.124 965 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 965 Q C 2.071 177.986 176.000 -0.142 0.000 0.977 965 Q CA 1.126 56.834 55.803 -0.158 0.000 0.850 965 Q CB 0.090 28.748 28.738 -0.133 0.000 0.901 965 Q HN 0.468 nan 8.270 nan 0.000 0.429 966 Q N 0.120 119.815 119.800 -0.174 0.000 1.990 966 Q HA -0.139 4.201 4.340 0.000 0.000 0.200 966 Q C 2.322 178.233 176.000 -0.148 0.000 0.980 966 Q CA 0.963 56.680 55.803 -0.143 0.000 0.832 966 Q CB -0.113 28.531 28.738 -0.156 0.000 0.897 966 Q HN 0.390 nan 8.270 nan 0.000 0.427 967 L N 0.404 121.534 121.223 -0.156 0.000 2.123 967 L HA -0.282 4.058 4.340 0.000 0.000 0.217 967 L C 2.599 179.362 176.870 -0.178 0.000 1.081 967 L CA 1.709 56.452 54.840 -0.162 0.000 0.772 967 L CB -0.478 41.509 42.059 -0.119 0.000 0.890 967 L HN 0.470 nan 8.230 nan 0.000 0.437 968 M N -1.391 118.123 119.600 -0.143 0.000 2.556 968 M HA -0.031 4.449 4.480 0.000 0.000 0.245 968 M C 1.305 177.524 176.300 -0.134 0.000 1.128 968 M CA 1.217 56.436 55.300 -0.135 0.000 1.069 968 M CB 0.243 32.787 32.600 -0.093 0.000 1.469 968 M HN 0.136 nan 8.290 nan 0.000 0.494 969 E N -0.070 120.055 120.200 -0.125 0.000 2.434 969 E HA 0.119 4.469 4.350 0.000 0.000 0.207 969 E C -0.323 176.225 176.600 -0.087 0.000 0.929 969 E CA 0.138 56.486 56.400 -0.088 0.000 1.001 969 E CB 0.818 30.483 29.700 -0.059 0.000 1.016 969 E HN 0.359 nan 8.360 nan 0.000 0.502 970 T N 1.619 116.099 114.554 -0.123 0.000 2.727 970 T HA 0.054 4.404 4.350 0.000 0.000 0.298 970 T C 1.324 175.948 174.700 -0.127 0.000 0.942 970 T CA -0.144 61.892 62.100 -0.106 0.000 0.997 970 T CB 1.351 70.146 68.868 -0.122 0.000 0.917 970 T HN 0.067 nan 8.240 nan 0.000 0.487 971 S N 2.655 118.361 115.700 0.010 0.000 2.370 971 S HA -0.153 4.317 4.470 0.000 0.000 0.226 971 S C 0.475 175.239 174.600 0.273 0.000 1.033 971 S CA 0.828 59.124 58.200 0.160 0.000 1.011 971 S CB -0.503 62.939 63.200 0.404 0.000 0.852 971 S HN 0.781 nan 8.310 nan 0.000 0.457 972 H N 0.409 119.525 119.070 0.076 0.000 2.572 972 H HA 0.567 5.123 4.556 0.000 0.000 0.359 972 H C 0.993 176.386 175.328 0.107 0.000 1.134 972 H CA -0.818 55.350 56.048 0.201 0.000 1.187 972 H CB 1.178 31.170 29.762 0.384 0.000 1.597 972 H HN 0.254 nan 8.280 nan 0.000 0.524 973 R N 1.734 122.406 120.500 0.287 0.000 2.249 973 R HA -0.170 4.170 4.340 0.000 0.000 0.230 973 R C 0.759 177.146 176.300 0.144 0.000 1.121 973 R CA 1.684 57.875 56.100 0.152 0.000 0.997 973 R CB -0.317 30.065 30.300 0.137 0.000 0.867 973 R HN 0.782 nan 8.270 nan 0.000 0.465 974 H N 0.388 119.483 119.070 0.041 0.000 2.525 974 H HA 0.070 4.626 4.556 0.000 0.000 0.275 974 H C 1.451 176.729 175.328 -0.082 0.000 0.984 974 H CA 0.391 56.425 56.048 -0.024 0.000 1.264 974 H CB -0.132 29.614 29.762 -0.027 0.000 1.432 974 H HN 0.277 nan 8.280 nan 0.000 0.549 975 L N 1.334 122.296 121.223 -0.434 0.000 2.612 975 L HA 0.242 4.582 4.340 0.000 0.000 0.230 975 L C 0.222 177.014 176.870 -0.129 0.000 1.140 975 L CA 0.004 54.624 54.840 -0.366 0.000 0.896 975 L CB -0.035 41.778 42.059 -0.410 0.000 1.065 975 L HN 0.060 nan 8.230 nan 0.000 0.447 976 L N 1.303 122.459 121.223 -0.112 0.000 2.292 976 L HA 0.277 4.617 4.340 0.000 0.000 0.284 976 L C 0.165 177.083 176.870 0.081 0.000 1.065 976 L CA -0.394 54.386 54.840 -0.101 0.000 0.806 976 L CB 0.808 42.631 42.059 -0.394 0.000 1.175 976 L HN 0.176 nan 8.230 nan 0.000 0.431 977 H N 2.181 121.338 119.070 0.145 0.000 2.489 977 H HA 0.615 5.171 4.556 0.000 0.000 0.343 977 H C -0.511 174.855 175.328 0.063 0.000 1.086 977 H CA -1.105 54.997 56.048 0.091 0.000 1.198 977 H CB 1.361 31.125 29.762 0.003 0.000 1.490 977 H HN 0.700 nan 8.280 nan 0.000 0.504 978 A N 3.547 126.351 122.820 -0.027 0.000 2.555 978 A HA 0.035 4.355 4.320 0.000 0.000 0.233 978 A C 0.349 177.854 177.584 -0.132 0.000 1.060 978 A CA 0.083 51.920 52.037 -0.333 0.000 0.759 978 A CB 0.030 18.896 19.000 -0.223 0.000 0.995 978 A HN 0.891 nan 8.150 nan 0.000 0.506 979 E N 0.104 120.180 120.200 -0.207 0.000 2.302 979 E HA 0.178 4.528 4.350 0.000 0.000 0.255 979 E C 0.775 177.372 176.600 -0.006 0.000 1.099 979 E CA -0.687 55.714 56.400 0.001 0.000 0.929 979 E CB 0.777 30.561 29.700 0.140 0.000 1.203 979 E HN 0.825 nan 8.360 nan 0.000 0.459 980 E N 0.447 120.658 120.200 0.018 0.000 2.013 980 E HA -0.188 4.162 4.350 0.000 0.000 0.202 980 E C 1.027 177.578 176.600 -0.081 0.000 1.018 980 E CA 1.630 58.008 56.400 -0.036 0.000 0.834 980 E CB -0.136 29.539 29.700 -0.043 0.000 0.770 980 E HN 0.545 nan 8.360 nan 0.000 0.459 981 G N -1.126 107.584 108.800 -0.149 0.000 3.022 981 G HA2 0.202 4.162 3.960 0.000 0.000 0.157 981 G HA3 0.202 4.162 3.960 0.000 0.000 0.157 981 G C -0.549 174.295 174.900 -0.093 0.000 1.468 981 G CA -0.137 44.873 45.100 -0.150 0.000 1.058 981 G HN 0.154 nan 8.290 nan 0.000 0.581 982 T N 0.495 115.004 114.554 -0.076 0.000 2.809 982 T HA 0.361 4.711 4.350 0.000 0.000 0.284 982 T C -1.472 173.217 174.700 -0.018 0.000 0.992 982 T CA -0.134 61.989 62.100 0.038 0.000 0.957 982 T CB 1.004 70.041 68.868 0.282 0.000 0.942 982 T HN 0.314 nan 8.240 nan 0.000 0.439 983 W N 3.255 124.498 121.300 -0.095 0.000 2.315 983 W HA 0.644 5.304 4.660 0.000 0.000 0.316 983 W C -0.335 176.100 176.519 -0.139 0.000 1.211 983 W CA -0.634 56.648 57.345 -0.104 0.000 1.201 983 W CB 0.751 30.151 29.460 -0.101 0.000 1.184 983 W HN 0.339 nan 8.180 nan 0.000 0.544 984 L N 4.923 126.223 121.223 0.127 0.000 2.356 984 L HA 0.432 4.772 4.340 0.000 0.000 0.277 984 L C -0.755 176.064 176.870 -0.085 0.000 0.996 984 L CA -0.322 54.474 54.840 -0.074 0.000 0.822 984 L CB 0.868 42.781 42.059 -0.243 0.000 1.256 984 L HN 0.360 nan 8.230 nan 0.000 0.413 985 N N 6.830 125.449 118.700 -0.136 0.000 2.407 985 N HA 0.493 5.233 4.740 0.000 0.000 0.277 985 N C -1.225 174.143 175.510 -0.237 0.000 0.995 985 N CA -0.442 52.501 53.050 -0.178 0.000 0.903 985 N CB 2.368 40.754 38.487 -0.168 0.000 1.218 985 N HN 0.418 nan 8.380 nan 0.000 0.487 986 I N 1.695 122.076 120.570 -0.315 0.000 2.420 986 I HA 0.194 4.364 4.170 0.000 0.000 0.282 986 I C -0.574 175.320 176.117 -0.370 0.000 1.019 986 I CA -0.501 60.570 61.300 -0.382 0.000 1.130 986 I CB 1.535 39.158 38.000 -0.628 0.000 1.262 986 I HN 0.245 nan 8.210 nan 0.000 0.454 987 D N 4.824 125.039 120.400 -0.308 0.000 2.274 987 D HA 0.230 4.870 4.640 0.000 0.000 0.239 987 D C 1.008 177.021 176.300 -0.478 0.000 1.104 987 D CA 0.034 53.789 54.000 -0.408 0.000 0.840 987 D CB 2.644 43.217 40.800 -0.378 0.000 1.100 987 D HN 0.730 nan 8.370 nan 0.000 0.477 988 G N 2.146 110.406 108.800 -0.901 0.000 2.408 988 G HA2 -0.027 3.933 3.960 0.000 0.000 0.215 988 G HA3 -0.027 3.933 3.960 0.000 0.000 0.215 988 G C 0.176 174.288 174.900 -1.313 0.000 1.156 988 G CA 0.418 44.757 45.100 -1.268 0.000 0.793 988 G HN 0.389 nan 8.290 nan 0.000 0.535 989 F N -1.342 118.378 119.950 -0.384 0.000 2.608 989 F HA 0.550 5.077 4.527 0.000 0.000 0.309 989 F C -0.751 174.909 175.800 -0.233 0.000 1.103 989 F CA -1.184 56.672 58.000 -0.240 0.000 0.954 989 F CB 2.192 40.978 39.000 -0.356 0.000 1.267 989 F HN -0.089 nan 8.300 nan 0.000 0.444 990 H N 3.341 122.410 119.070 -0.003 0.000 2.771 990 H HA 0.512 5.068 4.556 0.000 0.000 0.361 990 H C -1.022 174.320 175.328 0.022 0.000 1.108 990 H CA -1.063 54.951 56.048 -0.056 0.000 1.201 990 H CB 2.181 31.869 29.762 -0.124 0.000 1.681 990 H HN 0.807 nan 8.280 nan 0.000 0.534 991 M N 2.973 122.832 119.600 0.432 0.000 2.288 991 M HA 0.481 4.961 4.480 0.000 0.000 0.334 991 M C 0.156 176.467 176.300 0.018 0.000 1.150 991 M CA -0.249 55.147 55.300 0.159 0.000 1.118 991 M CB 0.866 33.503 32.600 0.062 0.000 1.501 991 M HN 0.661 nan 8.290 nan 0.000 0.462 992 G N 2.625 111.457 108.800 0.054 0.000 2.664 992 G HA2 0.260 4.220 3.960 0.000 0.000 0.242 992 G HA3 0.260 4.220 3.960 0.000 0.000 0.242 992 G C 0.688 175.510 174.900 -0.130 0.000 1.225 992 G CA -0.378 44.683 45.100 -0.065 0.000 0.849 992 G HN 0.999 nan 8.290 nan 0.000 0.581 993 I N -0.776 119.674 120.570 -0.201 0.000 2.852 993 I HA 0.343 4.513 4.170 0.000 0.000 0.264 993 I C 1.362 177.378 176.117 -0.169 0.000 1.179 993 I CA 0.615 61.768 61.300 -0.244 0.000 1.480 993 I CB -0.757 36.993 38.000 -0.418 0.000 1.111 993 I HN 0.932 nan 8.210 nan 0.000 0.441 994 G N 1.427 110.140 108.800 -0.145 0.000 2.512 994 G HA2 0.033 3.993 3.960 0.000 0.000 0.240 994 G HA3 0.033 3.993 3.960 0.000 0.000 0.240 994 G C 0.615 175.461 174.900 -0.089 0.000 1.246 994 G CA 0.142 45.192 45.100 -0.083 0.000 0.919 994 G HN 1.438 nan 8.290 nan 0.000 0.577 995 G N -1.891 106.866 108.800 -0.073 0.000 2.198 995 G HA2 -0.024 3.936 3.960 0.000 0.000 0.156 995 G HA3 -0.024 3.936 3.960 0.000 0.000 0.156 995 G C 0.654 175.533 174.900 -0.034 0.000 1.012 995 G CA 0.921 45.976 45.100 -0.075 0.000 0.692 995 G HN 1.075 nan 8.290 nan 0.000 0.492 996 D N 1.065 121.462 120.400 -0.005 0.000 2.158 996 D HA 0.088 4.728 4.640 0.000 0.000 0.197 996 D C 1.267 177.516 176.300 -0.085 0.000 0.995 996 D CA 2.138 56.185 54.000 0.078 0.000 0.846 996 D CB 0.172 41.041 40.800 0.115 0.000 0.941 996 D HN 0.853 nan 8.370 nan 0.000 0.456 997 D N -3.411 116.759 120.400 -0.384 0.000 2.921 997 D HA 0.390 5.030 4.640 0.000 0.000 0.329 997 D C -0.827 174.920 176.300 -0.922 0.000 1.293 997 D CA -0.659 52.722 54.000 -1.032 0.000 0.964 997 D CB 0.836 40.728 40.800 -1.514 0.000 1.435 997 D HN -0.265 nan 8.370 nan 0.000 0.548 998 S N -1.240 113.630 115.700 -1.384 0.000 2.949 998 S HA 0.251 4.721 4.470 0.000 0.000 0.246 998 S C -1.073 173.481 174.600 -0.076 0.000 0.899 998 S CA -0.614 57.331 58.200 -0.424 0.000 1.091 998 S CB -0.296 62.946 63.200 0.070 0.000 1.199 998 S HN 0.623 nan 8.310 nan 0.000 0.507 999 W N 0.735 121.978 121.300 -0.094 0.000 1.497 999 W HA 0.551 5.211 4.660 0.000 0.000 0.221 999 W C -0.077 176.394 176.519 -0.081 0.000 0.795 999 W CA -0.275 57.018 57.345 -0.087 0.000 1.057 999 W CB -0.610 28.731 29.460 -0.199 0.000 0.935 999 W HN 0.206 nan 8.180 nan 0.000 0.468 1000 S N -0.597 114.994 115.700 -0.183 0.000 2.537 1000 S HA 0.621 5.091 4.470 0.000 0.000 0.270 1000 S C -3.068 171.447 174.600 -0.141 0.000 1.142 1000 S CA -1.619 56.508 58.200 -0.121 0.000 0.870 1000 S CB 1.727 64.892 63.200 -0.058 0.000 1.112 1000 S HN -0.175 nan 8.310 nan 0.000 0.466 1001 P HA 0.122 nan 4.420 nan 0.000 0.257 1001 P C 0.465 177.751 177.300 -0.023 0.000 1.189 1001 P CA 0.254 63.303 63.100 -0.085 0.000 0.780 1001 P CB 0.414 31.963 31.700 -0.252 0.000 0.772 1002 S N 1.991 117.704 115.700 0.022 0.000 2.593 1002 S HA 0.154 4.624 4.470 0.000 0.000 0.236 1002 S C 0.252 174.895 174.600 0.070 0.000 0.991 1002 S CA -0.310 57.893 58.200 0.004 0.000 0.963 1002 S CB -0.041 63.116 63.200 -0.072 0.000 0.865 1002 S HN 0.098 nan 8.310 nan 0.000 0.488 1003 V N 3.627 123.643 119.914 0.170 0.000 2.407 1003 V HA 0.524 4.644 4.120 0.000 0.000 0.278 1003 V C 0.614 176.841 176.094 0.221 0.000 1.037 1003 V CA -0.421 61.988 62.300 0.181 0.000 0.900 1003 V CB 1.301 33.211 31.823 0.145 0.000 0.983 1003 V HN 0.650 nan 8.190 nan 0.000 0.459 1004 S N 4.583 120.423 115.700 0.234 0.000 2.580 1004 S HA 0.464 4.934 4.470 0.000 0.000 0.274 1004 S C 1.393 176.143 174.600 0.250 0.000 1.329 1004 S CA 0.043 58.387 58.200 0.239 0.000 1.036 1004 S CB 1.617 64.963 63.200 0.243 0.000 0.919 1004 S HN 1.066 nan 8.310 nan 0.000 0.515 1005 A N 2.366 125.286 122.820 0.167 0.000 1.903 1005 A HA -0.185 4.135 4.320 0.000 0.000 0.219 1005 A C 1.855 179.484 177.584 0.075 0.000 1.191 1005 A CA 2.144 54.264 52.037 0.140 0.000 0.638 1005 A CB -1.367 17.693 19.000 0.100 0.000 0.823 1005 A HN 0.987 nan 8.150 nan 0.000 0.451 1006 E N -1.049 119.126 120.200 -0.041 0.000 2.396 1006 E HA -0.116 4.234 4.350 0.000 0.000 0.200 1006 E C 0.712 177.050 176.600 -0.436 0.000 1.023 1006 E CA 1.081 57.310 56.400 -0.285 0.000 0.857 1006 E CB -0.355 29.015 29.700 -0.550 0.000 0.775 1006 E HN 0.744 nan 8.360 nan 0.000 0.525 1007 F N 0.567 120.577 119.950 0.101 0.000 2.661 1007 F HA 0.240 4.767 4.527 0.000 0.000 0.306 1007 F C 0.456 176.312 175.800 0.095 0.000 1.094 1007 F CA -0.358 57.697 58.000 0.092 0.000 1.254 1007 F CB 0.315 39.354 39.000 0.066 0.000 1.040 1007 F HN -0.169 nan 8.300 nan 0.000 0.562 1008 Q N 1.270 121.219 119.800 0.247 0.000 2.235 1008 Q HA 0.396 4.736 4.340 0.000 0.000 0.250 1008 Q C -0.166 175.987 176.000 0.255 0.000 0.909 1008 Q CA -0.433 55.524 55.803 0.257 0.000 0.910 1008 Q CB 1.908 30.855 28.738 0.349 0.000 1.223 1008 Q HN 0.216 nan 8.270 nan 0.000 0.432 1009 L N 2.698 124.046 121.223 0.208 0.000 2.399 1009 L HA 0.099 4.439 4.340 0.000 0.000 0.257 1009 L C 0.587 177.447 176.870 -0.018 0.000 1.236 1009 L CA 0.018 54.901 54.840 0.071 0.000 1.144 1009 L CB -0.353 41.598 42.059 -0.181 0.000 1.379 1009 L HN 0.697 nan 8.230 nan 0.000 0.414 1010 S N -1.284 114.405 115.700 -0.019 0.000 2.593 1010 S HA 0.164 4.634 4.470 0.000 0.000 0.236 1010 S C 1.643 176.174 174.600 -0.116 0.000 0.991 1010 S CA 0.157 58.129 58.200 -0.381 0.000 0.963 1010 S CB 0.840 63.958 63.200 -0.137 0.000 0.865 1010 S HN 0.506 nan 8.310 nan 0.000 0.488 1011 A N 2.022 124.841 122.820 -0.002 0.000 1.940 1011 A HA 0.376 4.696 4.320 0.000 0.000 0.219 1011 A C 2.152 179.626 177.584 -0.184 0.000 1.176 1011 A CA 1.446 53.336 52.037 -0.245 0.000 0.631 1011 A CB -1.389 17.168 19.000 -0.739 0.000 0.814 1011 A HN 1.618 nan 8.150 nan 0.000 0.446 1012 G N -2.243 106.551 108.800 -0.011 0.000 2.176 1012 G HA2 -0.245 3.715 3.960 0.000 0.000 0.253 1012 G HA3 -0.245 3.715 3.960 0.000 0.000 0.253 1012 G C 0.265 175.188 174.900 0.038 0.000 0.979 1012 G CA 0.363 45.481 45.100 0.030 0.000 0.641 1012 G HN 0.693 nan 8.290 nan 0.000 0.530 1013 R N -0.787 119.667 120.500 -0.076 0.000 2.585 1013 R HA 0.452 4.792 4.340 0.000 0.000 0.288 1013 R C -1.612 174.572 176.300 -0.194 0.000 1.194 1013 R CA -0.574 55.508 56.100 -0.030 0.000 1.006 1013 R CB 1.079 31.345 30.300 -0.057 0.000 1.229 1013 R HN 0.165 nan 8.270 nan 0.000 0.412 1014 Y N 0.293 120.581 120.300 -0.019 0.000 2.562 1014 Y HA 0.462 5.012 4.550 0.000 0.000 0.343 1014 Y C -0.015 176.072 175.900 0.312 0.000 1.025 1014 Y CA -0.928 57.159 58.100 -0.022 0.000 1.082 1014 Y CB 1.897 40.046 38.460 -0.520 0.000 1.264 1014 Y HN 0.514 nan 8.280 nan 0.000 0.478 1015 H N 1.653 121.066 119.070 0.573 0.000 2.782 1015 H HA 0.568 5.124 4.556 0.000 0.000 0.347 1015 H C -1.859 173.824 175.328 0.592 0.000 1.038 1015 H CA -0.773 55.551 56.048 0.461 0.000 1.255 1015 H CB 1.065 30.971 29.762 0.240 0.000 1.623 1015 H HN 0.538 nan 8.280 nan 0.000 0.525 1016 Y N 1.517 121.716 120.300 -0.169 0.000 2.597 1016 Y HA 0.567 5.117 4.550 0.000 0.000 0.340 1016 Y C -1.572 174.199 175.900 -0.215 0.000 1.097 1016 Y CA -1.229 56.833 58.100 -0.064 0.000 1.037 1016 Y CB 1.370 39.792 38.460 -0.063 0.000 1.305 1016 Y HN 0.623 nan 8.280 nan 0.000 0.463 1017 Q N 2.141 121.937 119.800 -0.007 0.000 2.375 1017 Q HA 0.731 5.071 4.340 0.000 0.000 0.271 1017 Q C -1.810 174.236 176.000 0.077 0.000 1.074 1017 Q CA -0.887 54.892 55.803 -0.040 0.000 0.808 1017 Q CB 3.059 31.861 28.738 0.107 0.000 1.327 1017 Q HN 0.800 nan 8.270 nan 0.000 0.441 1018 L N 1.950 123.198 121.223 0.041 0.000 2.409 1018 L HA 0.691 5.031 4.340 0.000 0.000 0.262 1018 L C -1.567 175.398 176.870 0.158 0.000 0.992 1018 L CA -0.978 53.932 54.840 0.117 0.000 0.817 1018 L CB 2.309 44.409 42.059 0.069 0.000 1.350 1018 L HN 0.444 nan 8.230 nan 0.000 0.411 1019 V N 3.371 123.420 119.914 0.225 0.000 2.407 1019 V HA 0.374 4.494 4.120 0.000 0.000 0.291 1019 V C -1.095 175.195 176.094 0.327 0.000 1.018 1019 V CA -0.405 62.039 62.300 0.239 0.000 0.842 1019 V CB 2.025 33.959 31.823 0.185 0.000 0.996 1019 V HN 0.649 nan 8.190 nan 0.000 0.426 1020 W N 7.344 128.696 121.300 0.088 0.000 2.469 1020 W HA 0.745 5.405 4.660 0.000 0.000 0.320 1020 W C -0.354 176.128 176.519 -0.062 0.000 1.086 1020 W CA -1.216 56.106 57.345 -0.039 0.000 1.211 1020 W CB 1.345 30.820 29.460 0.025 0.000 1.298 1020 W HN 0.798 nan 8.180 nan 0.000 0.525 1021 C N 5.676 125.223 119.300 0.411 0.000 3.311 1021 C HA 0.740 5.200 4.460 0.000 0.000 0.325 1021 C C -0.845 174.180 174.990 0.059 0.000 1.352 1021 C CA -0.365 58.755 59.018 0.170 0.000 1.308 1021 C CB 1.160 28.968 27.740 0.114 0.000 1.619 1021 C HN 0.735 nan 8.230 nan 0.000 0.469 1022 Q N 1.112 120.901 119.800 -0.019 0.000 2.990 1022 Q HA 0.892 5.232 4.340 0.000 0.000 0.255 1022 Q C -0.883 175.066 176.000 -0.086 0.000 1.040 1022 Q CA -0.461 55.262 55.803 -0.134 0.000 0.897 1022 Q CB 1.307 29.931 28.738 -0.190 0.000 1.429 1022 Q HN 0.799 nan 8.270 nan 0.000 0.497 1023 K N 0.000 120.335 120.400 -0.109 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1023 K CA 0.000 56.246 56.287 -0.068 0.000 0.838 1023 K CB 0.000 32.470 32.500 -0.050 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543