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 3d50_1_A DATA FIRST_RESID 30 DATA SEQUENCE QcQDVVQDVP NVDVQMLELY DRMSFKDIDG GVWKQGWNIK YDPLKYNAHH DATA SEQUENCE KLKVFVVPHS HNDPGWIQTF EEYYQHDTKH ILSNALRHLH DNPEMKFIWA DATA SEQUENCE EISYFARFYH DLGENKKLQM KSIVKNGQLE FVTGGWVMPD EANSHWRNVL DATA SEQUENCE LQLTEGQTWL KQFMNVTPTA SWAIDPFGHS PTMPYILQKS GFKNMLIQRT DATA SEQUENCE HYSVKKELAQ QRQLEFLWRQ IWDNKGDTAL FTHMMPFYSY DIPHTcGPDP DATA SEQUENCE KVccQFDFKR MGSFGLScPW KVPPRTISDQ NVAARSDLLV DQWKKKAELY DATA SEQUENCE RTNVLLIPLG DDFRFKQNTE WDVQRVNYER LFEHINSQAH FNVQAQFGTL DATA SEQUENCE QEYFDAVHQA ERAGQAEFPT LSGDFFTYAD RSDNYWSGYY TSRPYHKRMD DATA SEQUENCE RVLMHYVRAA EMLSAWHSWD GMARIEERLE QARRELSLFQ HHDGITGTAK DATA SEQUENCE THVVVDYEQR MQEALKACQM VMQQSVYRLL TKPSIYSPDF SFSYFTLDDS DATA SEQUENCE RWPGSGVEDS RTTIILGEDI LPSKHVVMHN TLPHWREQLV DFYVSSPFVS DATA SEQUENCE VTDLANNPVE AQVSPVWSWH HDTLTKTIHP QGSTTKYRII FKARVPPMGL DATA SEQUENCE ATYVLTISDS KPEHTSYASN LLLRKNPTSL PLGQYPEDVK FGDPREISLR DATA SEQUENCE VGNGPTLAFS EQGLLKSIQL TQDSPHVPVH FKFLKYGVRS HGDRSGAYLF DATA SEQUENCE LPNGPASPVE LGQPVVLVTK GKLESSVSVG LPSVVHQTIM RGGAPEIRNL DATA SEQUENCE VDIGSLDNTE IVMRLETHID SGDIFYTDLN GLQFIKRRRL DKLPLQANYY DATA SEQUENCE PIPSGMFIED ANTRLTLLTG QPLGGSSLAS GELEIMQDRR LASDDERGLG DATA SEQUENCE QGVLDNKPVL HIYRLVLEKV NNcVRPSKLH PAGYLTSAAH KASQSLLDPL DATA SEQUENCE DKFIFAENEW IGAQGQFGGD HPSAREDLDV SVMRRLTKSS AKTQRVGYVL DATA SEQUENCE HRTNLMQcGT PEEHTQKLDV cHLLPNVARc ERTTLTFLQN LEHLDGMVAP DATA SEQUENCE EVcPMETAAY VSSHSS 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 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 176.009 176.000 0.015 0.000 1.003 30 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 30 Q CB 0.000 28.744 28.738 0.009 0.000 1.108 31 c N 3.500 122.105 118.600 0.008 0.000 2.653 31 c HA 0.489 5.058 4.570 -0.001 0.000 0.421 31 c C 0.818 174.920 174.090 0.020 0.000 1.334 31 c CA -0.384 55.951 56.329 0.010 0.000 1.885 31 c CB -0.044 42.459 42.510 -0.013 0.000 2.645 31 c HN 0.706 nan 8.230 nan 0.000 0.601 32 Q N 1.864 121.692 119.800 0.046 0.000 2.361 32 Q HA 0.039 4.378 4.340 -0.001 0.000 0.276 32 Q C 0.148 176.176 176.000 0.047 0.000 1.022 32 Q CA 0.409 56.253 55.803 0.069 0.000 0.898 32 Q CB 0.516 29.333 28.738 0.130 0.000 1.246 32 Q HN 0.653 nan 8.270 nan 0.000 0.410 33 D N 1.703 122.131 120.400 0.046 0.000 2.317 33 D HA 0.049 4.689 4.640 -0.001 0.000 0.252 33 D C 0.416 176.756 176.300 0.067 0.000 1.174 33 D CA -0.152 53.858 54.000 0.016 0.000 0.866 33 D CB 1.298 42.110 40.800 0.019 0.000 1.127 33 D HN 0.393 nan 8.370 nan 0.000 0.467 34 V N 2.200 122.103 119.914 -0.018 0.000 3.542 34 V HA 0.129 4.248 4.120 -0.001 0.000 0.296 34 V C 0.918 177.060 176.094 0.080 0.000 1.364 34 V CA 0.005 62.353 62.300 0.081 0.000 1.118 34 V CB 0.317 32.015 31.823 -0.207 0.000 0.972 34 V HN 0.402 nan 8.190 nan 0.000 0.430 35 V N -0.251 119.638 119.914 -0.041 0.000 3.090 35 V HA 0.124 4.243 4.120 -0.001 0.000 0.237 35 V C 2.241 178.325 176.094 -0.016 0.000 1.209 35 V CA 1.087 63.311 62.300 -0.128 0.000 1.209 35 V CB 0.324 32.018 31.823 -0.216 0.000 0.971 35 V HN 0.465 nan 8.190 nan 0.000 0.477 36 Q N -0.194 119.642 119.800 0.059 0.000 2.384 36 Q HA 0.108 4.448 4.340 -0.001 0.000 0.207 36 Q C -0.431 175.657 176.000 0.147 0.000 0.904 36 Q CA 0.401 56.256 55.803 0.086 0.000 0.933 36 Q CB 0.571 29.330 28.738 0.036 0.000 1.077 36 Q HN 0.501 nan 8.270 nan 0.000 0.522 37 D N 1.191 121.707 120.400 0.193 0.000 2.414 37 D HA 0.166 4.806 4.640 -0.001 0.000 0.232 37 D C -0.658 175.750 176.300 0.180 0.000 1.070 37 D CA -0.270 53.824 54.000 0.157 0.000 0.839 37 D CB 2.113 42.984 40.800 0.118 0.000 1.079 37 D HN -0.173 nan 8.370 nan 0.000 0.521 38 V N 4.515 124.502 119.914 0.122 0.000 2.450 38 V HA 0.083 4.203 4.120 -0.001 0.000 0.281 38 V C -1.801 174.265 176.094 -0.046 0.000 1.019 38 V CA -0.988 61.295 62.300 -0.028 0.000 1.062 38 V CB 0.026 31.847 31.823 -0.004 0.000 0.979 38 V HN 0.314 nan 8.190 nan 0.000 0.477 39 P HA 0.085 nan 4.420 nan 0.000 0.268 39 P C -0.381 176.890 177.300 -0.048 0.000 1.205 39 P CA -0.121 62.947 63.100 -0.054 0.000 0.771 39 P CB 0.350 32.001 31.700 -0.080 0.000 0.858 40 N N 2.506 121.193 118.700 -0.021 0.000 2.439 40 N HA 0.353 5.092 4.740 -0.001 0.000 0.249 40 N C -1.073 174.428 175.510 -0.015 0.000 1.003 40 N CA -0.391 52.649 53.050 -0.017 0.000 0.942 40 N CB 0.210 38.696 38.487 -0.002 0.000 1.115 40 N HN 0.133 nan 8.380 nan 0.000 0.505 41 V N 0.439 120.337 119.914 -0.026 0.000 3.102 41 V HA 0.552 4.671 4.120 -0.001 0.000 0.312 41 V C 0.510 176.589 176.094 -0.024 0.000 1.135 41 V CA -0.719 61.569 62.300 -0.021 0.000 1.022 41 V CB 2.066 33.866 31.823 -0.039 0.000 1.056 41 V HN 0.404 nan 8.190 nan 0.000 0.436 42 D N 0.735 121.127 120.400 -0.014 0.000 2.149 42 D HA 0.047 4.686 4.640 -0.001 0.000 0.201 42 D C 0.455 176.723 176.300 -0.052 0.000 0.972 42 D CA 1.596 55.585 54.000 -0.018 0.000 0.835 42 D CB 0.544 41.349 40.800 0.009 0.000 0.966 42 D HN 0.412 nan 8.370 nan 0.000 0.476 43 V N 1.513 121.373 119.914 -0.089 0.000 2.482 43 V HA 0.201 4.320 4.120 -0.001 0.000 0.295 43 V C -0.440 175.556 176.094 -0.162 0.000 1.026 43 V CA -0.764 61.454 62.300 -0.137 0.000 0.856 43 V CB 2.438 34.135 31.823 -0.209 0.000 1.001 43 V HN -0.093 nan 8.190 nan 0.000 0.424 44 Q N 4.550 124.267 119.800 -0.137 0.000 2.333 44 Q HA 0.450 4.790 4.340 -0.001 0.000 0.268 44 Q C 0.378 176.280 176.000 -0.164 0.000 1.007 44 Q CA -0.705 55.008 55.803 -0.149 0.000 0.810 44 Q CB 1.924 30.596 28.738 -0.110 0.000 1.264 44 Q HN 0.663 nan 8.270 nan 0.000 0.452 45 M N 3.137 122.593 119.600 -0.241 0.000 2.213 45 M HA -0.141 4.338 4.480 -0.001 0.000 0.263 45 M C 1.582 177.773 176.300 -0.182 0.000 1.062 45 M CA 0.907 56.048 55.300 -0.266 0.000 1.105 45 M CB -0.773 31.533 32.600 -0.490 0.000 1.385 45 M HN 0.582 nan 8.290 nan 0.000 0.417 46 L N 0.612 121.725 121.223 -0.183 0.000 2.093 46 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 46 L C 2.117 178.974 176.870 -0.022 0.000 1.085 46 L CA 1.811 56.574 54.840 -0.130 0.000 0.755 46 L CB -0.476 41.485 42.059 -0.163 0.000 0.904 46 L HN 0.301 nan 8.230 nan 0.000 0.435 47 E N -0.866 119.309 120.200 -0.041 0.000 2.106 47 E HA -0.229 4.120 4.350 -0.001 0.000 0.192 47 E C 2.082 178.690 176.600 0.013 0.000 0.984 47 E CA 1.225 57.615 56.400 -0.016 0.000 0.806 47 E CB -0.257 29.420 29.700 -0.038 0.000 0.750 47 E HN 0.375 nan 8.360 nan 0.000 0.458 48 L N 0.145 121.377 121.223 0.014 0.000 2.046 48 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 48 L C 2.003 178.941 176.870 0.113 0.000 1.077 48 L CA 1.661 56.519 54.840 0.030 0.000 0.747 48 L CB -0.504 41.559 42.059 0.007 0.000 0.896 48 L HN 0.075 nan 8.230 nan 0.000 0.432 49 Y N 0.085 120.380 120.300 -0.007 0.000 2.224 49 Y HA -0.256 4.294 4.550 -0.001 0.000 0.289 49 Y C 2.541 178.516 175.900 0.126 0.000 1.146 49 Y CA 1.772 59.941 58.100 0.115 0.000 1.182 49 Y CB -0.650 37.885 38.460 0.124 0.000 0.983 49 Y HN 0.359 nan 8.280 nan 0.000 0.524 50 D N -0.527 119.979 120.400 0.177 0.000 2.144 50 D HA -0.146 4.493 4.640 -0.001 0.000 0.199 50 D C 1.973 178.306 176.300 0.056 0.000 0.984 50 D CA 1.396 55.454 54.000 0.096 0.000 0.834 50 D CB 0.071 40.903 40.800 0.054 0.000 0.955 50 D HN 0.303 nan 8.370 nan 0.000 0.465 51 R N -1.052 119.462 120.500 0.025 0.000 2.140 51 R HA 0.203 4.543 4.340 -0.001 0.000 0.213 51 R C 1.016 177.283 176.300 -0.055 0.000 1.059 51 R CA -0.064 56.027 56.100 -0.015 0.000 1.000 51 R CB -0.024 30.257 30.300 -0.032 0.000 0.910 51 R HN 0.202 nan 8.270 nan 0.000 0.455 52 M N 0.748 120.279 119.600 -0.115 0.000 2.250 52 M HA -0.074 4.405 4.480 -0.001 0.000 0.325 52 M C 1.633 177.808 176.300 -0.207 0.000 1.084 52 M CA 0.361 55.494 55.300 -0.278 0.000 1.161 52 M CB 1.153 33.361 32.600 -0.653 0.000 1.481 52 M HN 0.054 nan 8.290 nan 0.000 0.449 53 S N 1.427 116.984 115.700 -0.239 0.000 2.439 53 S HA 0.007 4.476 4.470 -0.001 0.000 0.224 53 S C 0.829 175.465 174.600 0.061 0.000 1.029 53 S CA 0.432 58.592 58.200 -0.068 0.000 0.946 53 S CB -0.105 63.060 63.200 -0.059 0.000 0.797 53 S HN 0.749 nan 8.310 nan 0.000 0.504 54 F N 0.245 120.121 119.950 -0.124 0.000 2.973 54 F HA -0.151 4.375 4.527 -0.001 0.000 0.299 54 F C 0.324 176.136 175.800 0.021 0.000 0.737 54 F CA 0.670 58.606 58.000 -0.108 0.000 1.151 54 F CB -1.820 37.091 39.000 -0.147 0.000 1.440 54 F HN 0.141 nan 8.300 nan 0.000 0.367 55 K N 1.410 121.890 120.400 0.133 0.000 2.382 55 K HA 0.137 4.456 4.320 -0.001 0.000 0.275 55 K C 0.220 176.932 176.600 0.186 0.000 1.009 55 K CA 0.005 56.376 56.287 0.140 0.000 0.970 55 K CB 0.471 33.016 32.500 0.075 0.000 0.934 55 K HN 0.065 nan 8.250 nan 0.000 0.479 56 D N 3.340 123.863 120.400 0.205 0.000 2.518 56 D HA 0.201 4.840 4.640 -0.001 0.000 0.230 56 D C -0.409 175.945 176.300 0.090 0.000 1.138 56 D CA -0.546 53.589 54.000 0.225 0.000 0.964 56 D CB -0.568 40.371 40.800 0.232 0.000 1.011 56 D HN 0.422 nan 8.370 nan 0.000 0.517 57 I N -1.146 119.463 120.570 0.066 0.000 2.607 57 I HA 0.496 4.666 4.170 -0.001 0.000 0.305 57 I C 0.172 176.285 176.117 -0.007 0.000 0.995 57 I CA -1.054 60.261 61.300 0.023 0.000 1.148 57 I CB 1.406 39.419 38.000 0.021 0.000 1.323 57 I HN -0.110 nan 8.210 nan 0.000 0.461 58 D N 3.849 124.242 120.400 -0.013 0.000 2.358 58 D HA 0.163 4.802 4.640 -0.001 0.000 0.258 58 D C 0.976 177.265 176.300 -0.017 0.000 1.223 58 D CA 0.186 54.172 54.000 -0.023 0.000 0.886 58 D CB 1.565 42.358 40.800 -0.013 0.000 1.120 58 D HN 0.853 nan 8.370 nan 0.000 0.482 59 G N 2.359 111.132 108.800 -0.044 0.000 3.042 59 G HA2 0.424 4.383 3.960 -0.001 0.000 0.212 59 G HA3 0.424 4.383 3.960 -0.001 0.000 0.212 59 G C 0.892 175.799 174.900 0.012 0.000 1.166 59 G CA 0.424 45.504 45.100 -0.033 0.000 0.767 59 G HN 0.903 nan 8.290 nan 0.000 0.546 60 G N -0.459 108.350 108.800 0.014 0.000 2.516 60 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.220 60 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.220 60 G C 1.268 176.188 174.900 0.033 0.000 1.165 60 G CA 0.809 45.928 45.100 0.030 0.000 1.013 60 G HN 1.140 nan 8.290 nan 0.000 0.590 61 V N -3.380 116.552 119.914 0.029 0.000 2.392 61 V HA 0.030 4.149 4.120 -0.001 0.000 0.249 61 V C 1.491 177.605 176.094 0.034 0.000 1.059 61 V CA 2.501 64.799 62.300 -0.002 0.000 1.051 61 V CB -0.568 31.220 31.823 -0.059 0.000 0.658 61 V HN 1.462 nan 8.190 nan 0.000 0.455 62 W N 2.700 123.900 121.300 -0.167 0.000 2.247 62 W HA 0.439 5.098 4.660 -0.001 0.000 0.394 62 W C 1.176 177.649 176.519 -0.078 0.000 0.939 62 W CA -1.828 55.407 57.345 -0.185 0.000 1.548 62 W CB -0.001 29.311 29.460 -0.247 0.000 1.610 62 W HN 0.079 nan 8.180 nan 0.000 0.336 63 K N 2.392 122.872 120.400 0.133 0.000 2.127 63 K HA -0.227 4.093 4.320 -0.001 0.000 0.208 63 K C 0.962 177.489 176.600 -0.123 0.000 1.047 63 K CA 1.689 57.969 56.287 -0.011 0.000 0.927 63 K CB -0.031 32.453 32.500 -0.027 0.000 0.716 63 K HN 0.573 nan 8.250 nan 0.000 0.450 64 Q N -0.782 118.908 119.800 -0.183 0.000 2.198 64 Q HA 0.170 4.510 4.340 -0.001 0.000 0.209 64 Q C 0.935 176.564 176.000 -0.619 0.000 0.848 64 Q CA -0.175 55.494 55.803 -0.224 0.000 0.974 64 Q CB 1.187 29.939 28.738 0.024 0.000 1.115 64 Q HN 0.269 nan 8.270 nan 0.000 0.494 65 G N 0.589 108.587 108.800 -1.337 0.000 3.364 65 G HA2 0.497 4.457 3.960 -0.001 0.000 0.191 65 G HA3 0.497 4.457 3.960 -0.001 0.000 0.191 65 G C -1.370 173.244 174.900 -0.477 0.000 1.352 65 G CA -0.294 43.802 45.100 -1.674 0.000 0.758 65 G HN 0.358 nan 8.290 nan 0.000 0.730 66 W N -1.288 119.745 121.300 -0.446 0.000 2.988 66 W HA 0.645 5.304 4.660 -0.001 0.000 0.355 66 W C -1.390 175.217 176.519 0.146 0.000 1.233 66 W CA -1.182 56.118 57.345 -0.075 0.000 1.176 66 W CB 0.613 30.045 29.460 -0.048 0.000 1.477 66 W HN 0.165 nan 8.180 nan 0.000 0.582 67 N N 2.049 120.917 118.700 0.279 0.000 2.406 67 N HA 0.209 4.948 4.740 -0.001 0.000 0.265 67 N C -0.327 175.331 175.510 0.246 0.000 1.203 67 N CA 0.082 53.245 53.050 0.188 0.000 0.945 67 N CB 0.305 38.895 38.487 0.172 0.000 1.165 67 N HN 0.395 nan 8.380 nan 0.000 0.485 68 I N 2.013 122.635 120.570 0.086 0.000 2.529 68 I HA 0.063 4.232 4.170 -0.001 0.000 0.284 68 I C 0.808 177.094 176.117 0.281 0.000 1.082 68 I CA 0.159 61.577 61.300 0.196 0.000 1.406 68 I CB 0.599 38.658 38.000 0.099 0.000 1.405 68 I HN 0.124 nan 8.210 nan 0.000 0.548 69 K N 5.857 126.461 120.400 0.339 0.000 2.318 69 K HA 0.576 4.895 4.320 -0.001 0.000 0.249 69 K C -1.375 175.394 176.600 0.282 0.000 0.942 69 K CA -0.698 55.718 56.287 0.214 0.000 0.808 69 K CB 2.323 34.910 32.500 0.146 0.000 1.189 69 K HN 0.482 nan 8.250 nan 0.000 0.428 70 Y N -1.865 118.523 120.300 0.147 0.000 2.581 70 Y HA 0.452 5.001 4.550 -0.001 0.000 0.345 70 Y C -1.036 174.929 175.900 0.108 0.000 1.036 70 Y CA -1.519 56.666 58.100 0.141 0.000 1.042 70 Y CB 1.185 39.749 38.460 0.173 0.000 1.289 70 Y HN 0.381 nan 8.280 nan 0.000 0.471 71 D N 3.485 124.024 120.400 0.232 0.000 2.347 71 D HA 0.303 4.943 4.640 -0.001 0.000 0.235 71 D C -1.723 174.721 176.300 0.241 0.000 1.149 71 D CA -2.739 51.339 54.000 0.130 0.000 0.850 71 D CB 1.525 42.375 40.800 0.083 0.000 1.061 71 D HN 0.410 nan 8.370 nan 0.000 0.487 72 P HA -0.105 nan 4.420 nan 0.000 0.221 72 P C 1.333 178.766 177.300 0.222 0.000 1.145 72 P CA 0.705 63.987 63.100 0.303 0.000 0.795 72 P CB 0.318 32.135 31.700 0.195 0.000 0.775 73 L N -0.595 120.709 121.223 0.135 0.000 2.599 73 L HA 0.079 4.419 4.340 -0.001 0.000 0.230 73 L C 2.583 179.489 176.870 0.060 0.000 1.141 73 L CA 0.404 55.303 54.840 0.097 0.000 0.877 73 L CB -0.628 41.468 42.059 0.062 0.000 1.009 73 L HN -0.024 nan 8.230 nan 0.000 0.447 74 K N 0.432 120.842 120.400 0.017 0.000 2.097 74 K HA -0.143 4.177 4.320 -0.001 0.000 0.206 74 K C -0.092 176.374 176.600 -0.223 0.000 1.049 74 K CA 1.083 57.267 56.287 -0.171 0.000 0.933 74 K CB 0.103 32.414 32.500 -0.315 0.000 0.717 74 K HN 0.055 nan 8.250 nan 0.000 0.442 75 Y N 1.127 121.549 120.300 0.203 0.000 2.342 75 Y HA 0.235 4.784 4.550 -0.000 0.000 0.334 75 Y C 0.023 176.010 175.900 0.146 0.000 1.067 75 Y CA -1.041 57.171 58.100 0.186 0.000 1.128 75 Y CB 1.288 39.816 38.460 0.113 0.000 1.200 75 Y HN 0.303 nan 8.280 nan 0.000 0.464 76 N N -0.411 118.456 118.700 0.278 0.000 3.344 76 N HA 0.555 5.295 4.740 -0.001 0.000 0.296 76 N C 0.127 175.688 175.510 0.085 0.000 1.571 76 N CA -0.415 52.733 53.050 0.163 0.000 0.844 76 N CB 0.374 38.949 38.487 0.148 0.000 1.718 76 N HN 0.403 nan 8.380 nan 0.000 0.589 77 A N -1.303 121.494 122.820 -0.037 0.000 2.024 77 A HA -0.158 4.162 4.320 -0.001 0.000 0.220 77 A C 1.025 178.423 177.584 -0.310 0.000 1.164 77 A CA 1.256 53.166 52.037 -0.212 0.000 0.643 77 A CB -1.049 17.749 19.000 -0.337 0.000 0.806 77 A HN 0.694 nan 8.150 nan 0.000 0.451 78 H N -2.849 116.280 119.070 0.098 0.000 2.575 78 H HA 0.122 4.677 4.556 -0.001 0.000 0.267 78 H C -0.296 175.138 175.328 0.176 0.000 0.966 78 H CA 0.797 56.908 56.048 0.105 0.000 1.165 78 H CB 0.146 29.960 29.762 0.086 0.000 1.433 78 H HN 0.736 nan 8.280 nan 0.000 0.544 79 H N 0.521 119.679 119.070 0.148 0.000 2.852 79 H HA 0.294 4.849 4.556 -0.001 0.000 0.274 79 H C -0.813 174.656 175.328 0.235 0.000 1.321 79 H CA -0.467 55.684 56.048 0.172 0.000 1.582 79 H CB 0.288 30.145 29.762 0.158 0.000 1.699 79 H HN -0.079 nan 8.280 nan 0.000 0.546 80 K N 2.552 122.910 120.400 -0.069 0.000 2.098 80 K HA 0.289 4.608 4.320 -0.001 0.000 0.261 80 K C -0.718 175.696 176.600 -0.311 0.000 0.987 80 K CA -1.232 54.992 56.287 -0.105 0.000 0.916 80 K CB 1.665 34.095 32.500 -0.117 0.000 1.039 80 K HN 0.268 nan 8.250 nan 0.000 0.455 81 L N 2.697 123.599 121.223 -0.534 0.000 2.278 81 L HA 0.176 4.515 4.340 -0.001 0.000 0.287 81 L C -0.609 175.992 176.870 -0.449 0.000 1.072 81 L CA -0.050 54.352 54.840 -0.731 0.000 0.819 81 L CB 0.262 41.686 42.059 -1.058 0.000 1.176 81 L HN 0.328 nan 8.230 nan 0.000 0.435 82 K N 4.225 124.395 120.400 -0.384 0.000 2.264 82 K HA 0.513 4.832 4.320 -0.001 0.000 0.277 82 K C -1.488 174.806 176.600 -0.510 0.000 1.067 82 K CA -0.341 55.694 56.287 -0.419 0.000 0.900 82 K CB 0.806 33.123 32.500 -0.305 0.000 1.124 82 K HN 0.428 nan 8.250 nan 0.000 0.469 83 V N 5.944 125.435 119.914 -0.704 0.000 2.417 83 V HA 0.478 4.598 4.120 -0.001 0.000 0.291 83 V C -0.821 174.732 176.094 -0.902 0.000 1.024 83 V CA -0.704 61.128 62.300 -0.780 0.000 0.861 83 V CB 0.749 31.933 31.823 -1.066 0.000 0.985 83 V HN 0.560 nan 8.190 nan 0.000 0.436 84 F N 3.552 123.244 119.950 -0.428 0.000 2.402 84 F HA 0.520 5.046 4.527 -0.001 0.000 0.355 84 F C 0.111 175.724 175.800 -0.312 0.000 1.123 84 F CA -0.704 57.102 58.000 -0.322 0.000 1.021 84 F CB 1.869 40.753 39.000 -0.194 0.000 1.160 84 F HN 0.180 nan 8.300 nan 0.000 0.451 85 V N 5.169 125.033 119.914 -0.082 0.000 2.364 85 V HA 0.324 4.443 4.120 -0.001 0.000 0.272 85 V C -0.308 175.879 176.094 0.156 0.000 1.036 85 V CA -0.638 61.676 62.300 0.023 0.000 0.880 85 V CB 1.304 33.215 31.823 0.146 0.000 0.991 85 V HN 0.440 nan 8.190 nan 0.000 0.460 86 V N 8.489 128.446 119.914 0.070 0.000 2.293 86 V HA 0.321 4.440 4.120 -0.001 0.000 0.275 86 V C -2.351 173.773 176.094 0.050 0.000 1.021 86 V CA -1.954 60.360 62.300 0.023 0.000 0.815 86 V CB 1.458 33.209 31.823 -0.120 0.000 1.025 86 V HN 0.713 nan 8.190 nan 0.000 0.448 87 P HA 0.330 nan 4.420 nan 0.000 0.271 87 P C -0.844 176.454 177.300 -0.003 0.000 1.216 87 P CA 0.260 63.326 63.100 -0.056 0.000 0.771 87 P CB 0.372 31.842 31.700 -0.385 0.000 0.864 88 H N -1.054 118.020 119.070 0.007 0.000 2.990 88 H HA 0.799 5.354 4.556 -0.001 0.000 0.336 88 H C -1.485 173.968 175.328 0.208 0.000 1.306 88 H CA -1.127 54.844 56.048 -0.129 0.000 1.118 88 H CB 1.001 30.597 29.762 -0.277 0.000 1.856 88 H HN 0.211 nan 8.280 nan 0.000 0.538 89 S N 0.672 116.420 115.700 0.079 0.000 2.750 89 S HA 0.206 4.675 4.470 -0.001 0.000 0.276 89 S C -1.875 172.654 174.600 -0.118 0.000 1.165 89 S CA -0.668 57.605 58.200 0.122 0.000 1.047 89 S CB 0.145 63.607 63.200 0.437 0.000 1.056 89 S HN 0.855 nan 8.310 nan 0.000 0.481 90 H N 4.449 123.408 119.070 -0.185 0.000 2.864 90 H HA 0.425 4.980 4.556 -0.001 0.000 0.281 90 H C -0.100 174.803 175.328 -0.707 0.000 1.093 90 H CA 0.253 56.094 56.048 -0.345 0.000 1.453 90 H CB 0.219 29.807 29.762 -0.290 0.000 1.462 90 H HN 0.575 nan 8.280 nan 0.000 0.480 91 N N 5.462 123.504 118.700 -1.097 0.000 2.511 91 N HA 0.057 4.797 4.740 -0.001 0.000 0.249 91 N C -1.139 173.893 175.510 -0.796 0.000 0.971 91 N CA -0.656 51.582 53.050 -1.353 0.000 0.938 91 N CB 1.052 39.038 38.487 -0.835 0.000 1.131 91 N HN 0.639 nan 8.380 nan 0.000 0.505 92 D N 2.712 122.711 120.400 -0.669 0.000 2.348 92 D HA 0.115 4.754 4.640 -0.001 0.000 0.253 92 D C -2.073 174.275 176.300 0.080 0.000 1.161 92 D CA -1.055 52.808 54.000 -0.227 0.000 0.876 92 D CB 1.345 42.285 40.800 0.233 0.000 1.160 92 D HN 0.204 nan 8.370 nan 0.000 0.459 93 P HA 0.211 nan 4.420 nan 0.000 0.230 93 P C 0.010 177.526 177.300 0.360 0.000 1.791 93 P CA -0.005 63.122 63.100 0.044 0.000 1.020 93 P CB 0.211 31.802 31.700 -0.182 0.000 1.977 94 G N 0.635 109.831 108.800 0.659 0.000 2.907 94 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.686 94 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.686 94 G C -1.025 174.423 174.900 0.914 0.000 1.115 94 G CA -0.536 44.974 45.100 0.685 0.000 0.760 94 G HN 0.383 nan 8.290 nan 0.000 0.620 95 W N 1.827 123.468 121.300 0.568 0.000 4.489 95 W HA 0.297 4.956 4.660 -0.001 0.000 0.161 95 W C 1.214 177.923 176.519 0.316 0.000 3.472 95 W CA 0.653 58.307 57.345 0.514 0.000 1.144 95 W CB -0.751 29.096 29.460 0.645 0.000 2.110 95 W HN 0.569 nan 8.180 nan 0.000 0.358 96 I N 1.507 122.068 120.570 -0.016 0.000 3.226 96 I HA 0.056 4.225 4.170 -0.001 0.000 0.277 96 I C 0.267 176.271 176.117 -0.189 0.000 1.243 96 I CA 0.955 62.063 61.300 -0.321 0.000 1.459 96 I CB 0.119 37.882 38.000 -0.396 0.000 1.093 96 I HN 0.059 nan 8.210 nan 0.000 0.453 97 Q N -0.387 119.171 119.800 -0.403 0.000 2.484 97 Q HA 0.293 4.633 4.340 -0.001 0.000 0.285 97 Q C -0.146 175.629 176.000 -0.376 0.000 1.097 97 Q CA -0.712 54.797 55.803 -0.490 0.000 0.802 97 Q CB 1.855 30.039 28.738 -0.924 0.000 1.444 97 Q HN 0.117 nan 8.270 nan 0.000 0.429 98 T N -2.091 112.344 114.554 -0.199 0.000 2.766 98 T HA 0.100 4.449 4.350 -0.001 0.000 0.295 98 T C 0.809 175.595 174.700 0.143 0.000 1.024 98 T CA -0.406 61.647 62.100 -0.078 0.000 1.018 98 T CB 0.289 69.141 68.868 -0.027 0.000 1.002 98 T HN 0.565 nan 8.240 nan 0.000 0.532 99 F N 1.214 121.228 119.950 0.106 0.000 2.063 99 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 99 F C 2.469 178.445 175.800 0.293 0.000 1.109 99 F CA 2.435 60.568 58.000 0.223 0.000 1.212 99 F CB -0.369 38.660 39.000 0.049 0.000 0.973 99 F HN 0.779 nan 8.300 nan 0.000 0.480 100 E N 0.358 120.762 120.200 0.339 0.000 2.106 100 E HA -0.177 4.172 4.350 -0.001 0.000 0.192 100 E C 2.039 178.680 176.600 0.069 0.000 0.984 100 E CA 1.720 58.258 56.400 0.229 0.000 0.806 100 E CB -0.276 29.559 29.700 0.225 0.000 0.750 100 E HN 0.609 nan 8.360 nan 0.000 0.458 101 E N -1.088 119.086 120.200 -0.043 0.000 2.051 101 E HA -0.188 4.161 4.350 -0.001 0.000 0.192 101 E C 1.803 178.176 176.600 -0.380 0.000 0.991 101 E CA 1.091 57.291 56.400 -0.333 0.000 0.799 101 E CB -0.226 29.329 29.700 -0.243 0.000 0.748 101 E HN 0.330 nan 8.360 nan 0.000 0.449 102 Y N -0.533 119.705 120.300 -0.103 0.000 2.181 102 Y HA -0.257 4.292 4.550 -0.001 0.000 0.288 102 Y C 2.186 178.012 175.900 -0.124 0.000 1.146 102 Y CA 1.207 59.235 58.100 -0.120 0.000 1.164 102 Y CB -0.776 37.721 38.460 0.061 0.000 0.982 102 Y HN 0.198 nan 8.280 nan 0.000 0.515 103 Y N 0.784 121.091 120.300 0.012 0.000 2.145 103 Y HA -0.273 4.276 4.550 -0.001 0.000 0.286 103 Y C 2.300 178.161 175.900 -0.067 0.000 1.145 103 Y CA 1.888 59.948 58.100 -0.066 0.000 1.148 103 Y CB -0.333 38.067 38.460 -0.101 0.000 0.981 103 Y HN 0.043 nan 8.280 nan 0.000 0.507 104 Q N -0.583 119.123 119.800 -0.156 0.000 2.079 104 Q HA -0.168 4.172 4.340 -0.001 0.000 0.200 104 Q C 2.134 178.113 176.000 -0.036 0.000 0.974 104 Q CA 2.159 57.852 55.803 -0.184 0.000 0.840 104 Q CB -0.592 28.088 28.738 -0.096 0.000 0.898 104 Q HN 0.771 nan 8.270 nan 0.000 0.430 105 H N -0.717 118.359 119.070 0.010 0.000 2.448 105 H HA 0.036 4.591 4.556 -0.001 0.000 0.292 105 H C 0.907 176.310 175.328 0.126 0.000 1.035 105 H CA 0.665 56.752 56.048 0.065 0.000 1.349 105 H CB 0.661 30.430 29.762 0.012 0.000 1.425 105 H HN 0.205 nan 8.280 nan 0.000 0.539 106 D N -1.177 119.309 120.400 0.144 0.000 3.081 106 D HA 0.013 4.652 4.640 -0.001 0.000 0.243 106 D C 1.742 178.081 176.300 0.065 0.000 1.388 106 D CA 0.497 54.567 54.000 0.116 0.000 1.245 106 D CB -0.012 40.742 40.800 -0.078 0.000 1.319 106 D HN 0.053 nan 8.370 nan 0.000 0.377 107 T N 2.465 116.976 114.554 -0.071 0.000 2.821 107 T HA -0.122 4.227 4.350 -0.001 0.000 0.267 107 T C 1.938 176.469 174.700 -0.281 0.000 1.046 107 T CA 1.332 63.368 62.100 -0.106 0.000 1.139 107 T CB -0.024 68.635 68.868 -0.349 0.000 0.871 107 T HN 0.241 nan 8.240 nan 0.000 0.454 108 K N 0.752 120.787 120.400 -0.608 0.000 2.147 108 K HA -0.159 4.160 4.320 -0.001 0.000 0.205 108 K C 1.911 178.265 176.600 -0.411 0.000 1.049 108 K CA 1.417 57.342 56.287 -0.605 0.000 0.936 108 K CB -0.382 31.555 32.500 -0.938 0.000 0.722 108 K HN 0.380 nan 8.250 nan 0.000 0.446 109 H N 1.077 120.072 119.070 -0.125 0.000 2.363 109 H HA 0.054 4.609 4.556 -0.001 0.000 0.301 109 H C 2.314 177.642 175.328 0.000 0.000 1.074 109 H CA 1.415 57.448 56.048 -0.025 0.000 1.354 109 H CB -0.195 29.576 29.762 0.014 0.000 1.397 109 H HN 0.179 nan 8.280 nan 0.000 0.516 110 I N 0.692 121.337 120.570 0.126 0.000 2.163 110 I HA -0.275 3.894 4.170 -0.001 0.000 0.243 110 I C 2.494 178.616 176.117 0.008 0.000 1.085 110 I CA 1.095 62.515 61.300 0.199 0.000 1.347 110 I CB -0.296 37.890 38.000 0.309 0.000 1.044 110 I HN 0.084 nan 8.210 nan 0.000 0.408 111 L N -0.402 120.605 121.223 -0.359 0.000 2.056 111 L HA -0.210 4.130 4.340 -0.001 0.000 0.207 111 L C 2.760 179.268 176.870 -0.603 0.000 1.078 111 L CA 1.394 55.770 54.840 -0.773 0.000 0.749 111 L CB -0.572 40.456 42.059 -1.718 0.000 0.901 111 L HN 0.254 nan 8.230 nan 0.000 0.433 112 S N 0.265 115.737 115.700 -0.380 0.000 2.359 112 S HA -0.180 4.289 4.470 -0.001 0.000 0.224 112 S C 1.807 176.391 174.600 -0.027 0.000 1.035 112 S CA 1.727 59.975 58.200 0.080 0.000 1.018 112 S CB -0.212 63.102 63.200 0.190 0.000 0.876 112 S HN 0.446 nan 8.310 nan 0.000 0.448 113 N N 1.569 120.237 118.700 -0.054 0.000 2.331 113 N HA 0.099 4.838 4.740 -0.001 0.000 0.180 113 N C 1.785 176.961 175.510 -0.558 0.000 1.019 113 N CA 1.058 53.999 53.050 -0.181 0.000 0.881 113 N CB -0.768 37.716 38.487 -0.004 0.000 0.972 113 N HN 0.517 nan 8.380 nan 0.000 0.435 114 A N 1.251 123.819 122.820 -0.420 0.000 1.877 114 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 114 A C 2.193 179.503 177.584 -0.457 0.000 1.186 114 A CA 0.941 52.583 52.037 -0.658 0.000 0.620 114 A CB -0.769 18.127 19.000 -0.175 0.000 0.822 114 A HN 0.217 nan 8.150 nan 0.000 0.443 115 L N 0.237 121.338 121.223 -0.203 0.000 2.012 115 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 115 L C 2.496 179.303 176.870 -0.106 0.000 1.073 115 L CA 2.660 57.459 54.840 -0.069 0.000 0.748 115 L CB -0.677 41.410 42.059 0.045 0.000 0.891 115 L HN 0.528 nan 8.230 nan 0.000 0.431 116 R N -1.828 118.574 120.500 -0.162 0.000 2.062 116 R HA -0.224 4.115 4.340 -0.001 0.000 0.231 116 R C 2.396 178.597 176.300 -0.165 0.000 1.136 116 R CA 1.821 57.843 56.100 -0.129 0.000 0.948 116 R CB -0.587 29.644 30.300 -0.115 0.000 0.845 116 R HN 0.533 nan 8.270 nan 0.000 0.430 117 H N 0.374 119.155 119.070 -0.481 0.000 2.321 117 H HA -0.024 4.531 4.556 -0.001 0.000 0.300 117 H C 2.115 177.225 175.328 -0.363 0.000 1.087 117 H CA 2.244 57.988 56.048 -0.507 0.000 1.319 117 H CB -0.092 29.094 29.762 -0.960 0.000 1.379 117 H HN 0.138 nan 8.280 nan 0.000 0.501 118 L N -0.967 120.078 121.223 -0.297 0.000 2.046 118 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 118 L C 2.466 179.288 176.870 -0.080 0.000 1.077 118 L CA 1.735 56.484 54.840 -0.153 0.000 0.747 118 L CB -0.612 41.378 42.059 -0.114 0.000 0.896 118 L HN 0.416 nan 8.230 nan 0.000 0.432 119 H N 0.338 119.328 119.070 -0.133 0.000 2.319 119 H HA -0.202 4.353 4.556 -0.001 0.000 0.299 119 H C 1.743 177.012 175.328 -0.098 0.000 1.092 119 H CA 2.134 58.130 56.048 -0.086 0.000 1.302 119 H CB 0.022 29.740 29.762 -0.074 0.000 1.373 119 H HN 0.229 nan 8.280 nan 0.000 0.497 120 D N -0.278 120.050 120.400 -0.119 0.000 2.317 120 D HA -0.029 4.610 4.640 -0.001 0.000 0.211 120 D C -0.158 176.024 176.300 -0.197 0.000 0.966 120 D CA 0.645 54.544 54.000 -0.167 0.000 0.876 120 D CB 0.017 40.729 40.800 -0.146 0.000 0.927 120 D HN 0.419 nan 8.370 nan 0.000 0.519 121 N N 0.617 119.202 118.700 -0.192 0.000 2.746 121 N HA 0.149 4.888 4.740 -0.001 0.000 0.250 121 N C -2.214 173.265 175.510 -0.052 0.000 1.146 121 N CA -1.063 51.916 53.050 -0.119 0.000 0.828 121 N CB 2.350 40.759 38.487 -0.129 0.000 1.158 121 N HN -0.113 nan 8.380 nan 0.000 0.519 122 P HA -0.070 nan 4.420 nan 0.000 0.222 122 P C 0.857 178.176 177.300 0.032 0.000 1.147 122 P CA 1.153 64.238 63.100 -0.025 0.000 0.790 122 P CB 0.540 32.222 31.700 -0.030 0.000 0.780 123 E N -1.798 118.452 120.200 0.084 0.000 2.472 123 E HA 0.086 4.435 4.350 -0.001 0.000 0.196 123 E C 0.744 177.480 176.600 0.227 0.000 1.033 123 E CA -0.005 56.492 56.400 0.161 0.000 0.886 123 E CB -0.259 29.570 29.700 0.216 0.000 0.944 123 E HN 0.244 nan 8.360 nan 0.000 0.492 124 M N 1.632 121.301 119.600 0.115 0.000 2.243 124 M HA 0.110 4.590 4.480 -0.001 0.000 0.341 124 M C -0.365 175.922 176.300 -0.023 0.000 1.130 124 M CA 0.164 55.429 55.300 -0.059 0.000 1.162 124 M CB 0.454 33.029 32.600 -0.042 0.000 1.497 124 M HN -0.375 nan 8.290 nan 0.000 0.456 125 K N 3.116 123.469 120.400 -0.080 0.000 2.444 125 K HA 0.659 4.978 4.320 -0.001 0.000 0.252 125 K C -1.741 174.897 176.600 0.063 0.000 0.993 125 K CA -0.423 55.874 56.287 0.017 0.000 0.847 125 K CB 2.050 34.588 32.500 0.065 0.000 1.340 125 K HN 0.675 nan 8.250 nan 0.000 0.446 126 F N 1.509 121.372 119.950 -0.145 0.000 2.654 126 F HA 0.440 4.967 4.527 -0.001 0.000 0.314 126 F C -1.379 174.308 175.800 -0.189 0.000 1.116 126 F CA -1.335 56.560 58.000 -0.175 0.000 1.017 126 F CB 0.984 39.962 39.000 -0.037 0.000 1.285 126 F HN 0.448 nan 8.300 nan 0.000 0.448 127 I N 2.189 122.432 120.570 -0.545 0.000 2.525 127 I HA 0.580 4.750 4.170 -0.001 0.000 0.301 127 I C -1.641 174.015 176.117 -0.767 0.000 0.992 127 I CA -0.553 60.365 61.300 -0.637 0.000 1.162 127 I CB 2.323 39.901 38.000 -0.704 0.000 1.332 127 I HN 0.710 nan 8.210 nan 0.000 0.458 128 W N 5.021 125.896 121.300 -0.708 0.000 2.839 128 W HA 0.628 5.288 4.660 -0.001 0.000 0.334 128 W C -0.734 175.688 176.519 -0.162 0.000 1.064 128 W CA -0.566 56.484 57.345 -0.490 0.000 1.236 128 W CB 2.647 31.867 29.460 -0.400 0.000 1.405 128 W HN 0.789 nan 8.180 nan 0.000 0.478 129 A N 3.499 125.908 122.820 -0.684 0.000 1.984 129 A HA 0.152 4.471 4.320 -0.001 0.000 0.203 129 A C 0.001 177.520 177.584 -0.108 0.000 1.292 129 A CA 0.502 52.392 52.037 -0.246 0.000 0.782 129 A CB -0.013 18.899 19.000 -0.147 0.000 0.924 129 A HN 0.521 nan 8.150 nan 0.000 0.475 130 E N 1.013 121.029 120.200 -0.306 0.000 1.963 130 E HA 0.304 4.653 4.350 -0.001 0.000 0.274 130 E C 0.411 177.162 176.600 0.251 0.000 1.061 130 E CA -0.261 56.136 56.400 -0.005 0.000 0.847 130 E CB 0.747 30.445 29.700 -0.002 0.000 1.083 130 E HN 0.285 nan 8.360 nan 0.000 0.402 131 I N 1.494 122.118 120.570 0.090 0.000 2.761 131 I HA -0.182 3.988 4.170 -0.001 0.000 0.261 131 I C 1.935 177.718 176.117 -0.558 0.000 1.198 131 I CA 0.864 62.154 61.300 -0.018 0.000 1.482 131 I CB -1.306 36.719 38.000 0.042 0.000 1.100 131 I HN 0.401 nan 8.210 nan 0.000 0.445 132 S N 1.120 116.210 115.700 -1.018 0.000 2.359 132 S HA -0.259 4.211 4.470 -0.001 0.000 0.224 132 S C 2.144 176.466 174.600 -0.463 0.000 1.035 132 S CA 1.226 58.414 58.200 -1.688 0.000 1.018 132 S CB -1.034 61.221 63.200 -1.576 0.000 0.876 132 S HN 0.345 nan 8.310 nan 0.000 0.448 133 Y N 0.730 121.075 120.300 0.074 0.000 2.181 133 Y HA 0.082 4.631 4.550 -0.001 0.000 0.288 133 Y C 2.221 178.191 175.900 0.117 0.000 1.146 133 Y CA 0.485 58.712 58.100 0.212 0.000 1.164 133 Y CB -0.921 37.756 38.460 0.362 0.000 0.982 133 Y HN 0.341 nan 8.280 nan 0.000 0.515 134 F N -0.102 119.923 119.950 0.126 0.000 2.146 134 F HA -0.132 4.395 4.527 -0.001 0.000 0.298 134 F C 2.328 177.954 175.800 -0.290 0.000 1.096 134 F CA 1.180 59.130 58.000 -0.083 0.000 1.275 134 F CB -0.450 38.486 39.000 -0.106 0.000 1.008 134 F HN -0.025 nan 8.300 nan 0.000 0.480 135 A N 0.172 122.649 122.820 -0.571 0.000 1.930 135 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 135 A C 2.147 179.657 177.584 -0.123 0.000 1.175 135 A CA 1.682 53.245 52.037 -0.790 0.000 0.627 135 A CB -0.718 17.691 19.000 -0.985 0.000 0.815 135 A HN 0.386 nan 8.150 nan 0.000 0.443 136 R N -0.991 119.454 120.500 -0.092 0.000 2.081 136 R HA -0.135 4.204 4.340 -0.001 0.000 0.235 136 R C 1.738 177.980 176.300 -0.097 0.000 1.131 136 R CA 2.027 58.069 56.100 -0.097 0.000 0.960 136 R CB -0.854 29.313 30.300 -0.221 0.000 0.856 136 R HN 0.470 nan 8.270 nan 0.000 0.436 137 F N -0.326 119.536 119.950 -0.147 0.000 2.098 137 F HA -0.108 4.419 4.527 -0.001 0.000 0.294 137 F C 1.926 177.662 175.800 -0.107 0.000 1.107 137 F CA 1.557 59.537 58.000 -0.032 0.000 1.234 137 F CB -0.767 38.140 39.000 -0.154 0.000 1.002 137 F HN 0.133 nan 8.300 nan 0.000 0.472 138 Y N -0.086 119.998 120.300 -0.362 0.000 2.352 138 Y HA -0.184 4.365 4.550 -0.001 0.000 0.292 138 Y C 2.333 178.014 175.900 -0.364 0.000 1.136 138 Y CA 1.879 59.733 58.100 -0.410 0.000 1.227 138 Y CB -0.533 37.825 38.460 -0.170 0.000 0.991 138 Y HN 0.166 nan 8.280 nan 0.000 0.545 139 H N -1.268 117.784 119.070 -0.031 0.000 2.548 139 H HA 0.013 4.569 4.556 -0.001 0.000 0.265 139 H C 0.739 175.969 175.328 -0.164 0.000 0.969 139 H CA 0.873 56.873 56.048 -0.079 0.000 1.155 139 H CB 0.182 29.955 29.762 0.018 0.000 1.394 139 H HN 0.439 nan 8.280 nan 0.000 0.570 140 D N 0.589 120.906 120.400 -0.139 0.000 2.349 140 D HA 0.047 4.686 4.640 -0.001 0.000 0.224 140 D C 0.625 176.748 176.300 -0.296 0.000 1.029 140 D CA 0.186 54.083 54.000 -0.172 0.000 0.879 140 D CB 0.425 41.156 40.800 -0.116 0.000 0.906 140 D HN 0.247 nan 8.370 nan 0.000 0.528 141 L N 0.669 121.625 121.223 -0.444 0.000 2.326 141 L HA 0.336 4.676 4.340 -0.001 0.000 0.278 141 L C 1.394 178.077 176.870 -0.312 0.000 1.092 141 L CA -0.714 53.854 54.840 -0.455 0.000 0.810 141 L CB 1.254 42.949 42.059 -0.606 0.000 1.153 141 L HN -0.074 nan 8.230 nan 0.000 0.439 142 G N 1.008 109.674 108.800 -0.223 0.000 2.664 142 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.242 142 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.242 142 G C 0.691 175.492 174.900 -0.165 0.000 1.225 142 G CA -0.245 44.762 45.100 -0.156 0.000 0.849 142 G HN 0.819 nan 8.290 nan 0.000 0.581 143 E N 0.164 120.298 120.200 -0.110 0.000 2.153 143 E HA -0.193 4.156 4.350 -0.001 0.000 0.194 143 E C 2.154 178.713 176.600 -0.068 0.000 0.988 143 E CA 1.537 57.887 56.400 -0.083 0.000 0.811 143 E CB -0.123 29.555 29.700 -0.037 0.000 0.746 143 E HN 0.595 nan 8.360 nan 0.000 0.466 144 N N 0.217 118.877 118.700 -0.066 0.000 2.084 144 N HA -0.177 4.562 4.740 -0.001 0.000 0.190 144 N C 1.392 176.864 175.510 -0.064 0.000 1.030 144 N CA 1.281 54.299 53.050 -0.053 0.000 0.849 144 N CB 0.018 38.473 38.487 -0.054 0.000 1.012 144 N HN 0.041 nan 8.380 nan 0.000 0.423 145 K N 1.290 121.633 120.400 -0.095 0.000 2.097 145 K HA -0.050 4.269 4.320 -0.001 0.000 0.205 145 K C 2.012 178.574 176.600 -0.064 0.000 1.050 145 K CA 0.686 56.919 56.287 -0.091 0.000 0.938 145 K CB -0.201 32.224 32.500 -0.125 0.000 0.718 145 K HN 0.345 nan 8.250 nan 0.000 0.442 146 K N 0.904 121.216 120.400 -0.146 0.000 2.032 146 K HA -0.093 4.226 4.320 -0.001 0.000 0.209 146 K C 2.288 178.962 176.600 0.122 0.000 1.048 146 K CA 1.177 57.402 56.287 -0.104 0.000 0.927 146 K CB -0.269 32.048 32.500 -0.305 0.000 0.712 146 K HN 0.062 nan 8.250 nan 0.000 0.441 147 L N 1.024 122.286 121.223 0.064 0.000 2.083 147 L HA -0.215 4.124 4.340 -0.001 0.000 0.209 147 L C 2.615 179.547 176.870 0.102 0.000 1.083 147 L CA 1.249 56.144 54.840 0.091 0.000 0.752 147 L CB -0.379 41.711 42.059 0.051 0.000 0.899 147 L HN 0.284 nan 8.230 nan 0.000 0.433 148 Q N -0.884 118.956 119.800 0.067 0.000 2.124 148 Q HA -0.259 4.081 4.340 -0.001 0.000 0.202 148 Q C 2.210 178.297 176.000 0.145 0.000 0.977 148 Q CA 1.685 57.532 55.803 0.072 0.000 0.850 148 Q CB -0.104 28.612 28.738 -0.038 0.000 0.901 148 Q HN 0.350 nan 8.270 nan 0.000 0.429 149 M N 1.000 120.716 119.600 0.194 0.000 2.099 149 M HA -0.145 4.334 4.480 -0.001 0.000 0.262 149 M C 1.553 178.035 176.300 0.304 0.000 1.067 149 M CA 1.771 57.252 55.300 0.302 0.000 1.124 149 M CB 0.039 32.913 32.600 0.456 0.000 1.353 149 M HN -0.104 nan 8.290 nan 0.000 0.410 150 K N -0.333 120.244 120.400 0.294 0.000 2.152 150 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 150 K C 2.034 178.733 176.600 0.165 0.000 1.048 150 K CA 1.720 58.147 56.287 0.234 0.000 0.933 150 K CB -0.432 32.190 32.500 0.205 0.000 0.721 150 K HN 0.606 nan 8.250 nan 0.000 0.447 151 S N 1.437 117.225 115.700 0.148 0.000 2.414 151 S HA -0.093 4.376 4.470 -0.001 0.000 0.227 151 S C 2.114 176.774 174.600 0.101 0.000 1.022 151 S CA 0.843 59.111 58.200 0.112 0.000 0.958 151 S CB -0.649 62.616 63.200 0.108 0.000 0.797 151 S HN 0.437 nan 8.310 nan 0.000 0.493 152 I N -0.223 120.418 120.570 0.120 0.000 2.546 152 I HA 0.053 4.222 4.170 -0.001 0.000 0.255 152 I C 2.059 178.214 176.117 0.064 0.000 1.163 152 I CA 0.527 61.878 61.300 0.086 0.000 1.457 152 I CB -0.550 37.502 38.000 0.085 0.000 1.092 152 I HN 0.110 nan 8.210 nan 0.000 0.434 153 V N 1.490 121.462 119.914 0.097 0.000 2.283 153 V HA -0.230 3.889 4.120 -0.001 0.000 0.243 153 V C 2.739 178.871 176.094 0.064 0.000 1.039 153 V CA 2.125 64.470 62.300 0.076 0.000 1.016 153 V CB -0.807 31.125 31.823 0.182 0.000 0.650 153 V HN 0.415 nan 8.190 nan 0.000 0.449 154 K N 1.311 121.758 120.400 0.078 0.000 2.074 154 K HA -0.256 4.063 4.320 -0.001 0.000 0.209 154 K C 1.776 178.397 176.600 0.034 0.000 1.048 154 K CA 2.026 58.346 56.287 0.055 0.000 0.926 154 K CB -0.285 32.250 32.500 0.058 0.000 0.713 154 K HN 0.681 nan 8.250 nan 0.000 0.444 155 N N -0.541 118.178 118.700 0.033 0.000 2.461 155 N HA -0.018 4.721 4.740 -0.001 0.000 0.188 155 N C 0.810 176.326 175.510 0.011 0.000 1.134 155 N CA 1.161 54.223 53.050 0.020 0.000 0.878 155 N CB 0.292 38.791 38.487 0.019 0.000 0.972 155 N HN 0.349 nan 8.380 nan 0.000 0.456 156 G N -0.239 108.564 108.800 0.005 0.000 2.159 156 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.256 156 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.256 156 G C 0.768 175.658 174.900 -0.016 0.000 0.977 156 G CA 0.524 45.617 45.100 -0.011 0.000 0.652 156 G HN 0.480 nan 8.290 nan 0.000 0.531 157 Q N -1.417 118.380 119.800 -0.006 0.000 2.137 157 Q HA 0.251 4.590 4.340 -0.001 0.000 0.198 157 Q C 1.063 177.056 176.000 -0.011 0.000 0.960 157 Q CA 0.920 56.724 55.803 0.002 0.000 0.847 157 Q CB 0.234 28.978 28.738 0.010 0.000 0.915 157 Q HN 0.550 nan 8.270 nan 0.000 0.448 158 L N 1.080 122.274 121.223 -0.048 0.000 2.305 158 L HA 0.323 4.663 4.340 -0.001 0.000 0.284 158 L C -1.041 175.643 176.870 -0.310 0.000 1.013 158 L CA -0.180 54.580 54.840 -0.134 0.000 0.819 158 L CB 1.626 43.621 42.059 -0.108 0.000 1.227 158 L HN -0.086 nan 8.230 nan 0.000 0.417 159 E N 4.085 124.060 120.200 -0.375 0.000 2.234 159 E HA 0.396 4.745 4.350 -0.001 0.000 0.266 159 E C -1.520 174.791 176.600 -0.482 0.000 0.877 159 E CA -0.701 55.488 56.400 -0.351 0.000 0.758 159 E CB 1.062 30.642 29.700 -0.201 0.000 1.170 159 E HN 0.477 nan 8.360 nan 0.000 0.415 160 F N 2.971 122.874 119.950 -0.079 0.000 2.396 160 F HA 0.271 4.797 4.527 -0.001 0.000 0.343 160 F C 0.255 176.025 175.800 -0.051 0.000 1.104 160 F CA -0.554 57.409 58.000 -0.062 0.000 1.161 160 F CB 1.326 40.304 39.000 -0.037 0.000 1.146 160 F HN 0.199 nan 8.300 nan 0.000 0.522 161 V N -0.306 119.674 119.914 0.110 0.000 2.495 161 V HA 0.654 4.773 4.120 -0.001 0.000 0.298 161 V C 0.215 176.446 176.094 0.228 0.000 1.031 161 V CA -0.528 61.840 62.300 0.112 0.000 0.871 161 V CB 0.903 32.690 31.823 -0.060 0.000 0.988 161 V HN 0.980 nan 8.190 nan 0.000 0.432 162 T N 3.184 117.950 114.554 0.354 0.000 13.132 162 T HA -0.307 4.042 4.350 -0.001 0.000 0.419 162 T C 1.725 176.661 174.700 0.394 0.000 1.442 162 T CA 2.933 65.279 62.100 0.410 0.000 2.366 162 T CB -1.683 67.322 68.868 0.228 0.000 2.813 162 T HN 2.804 nan 8.240 nan 0.000 0.650 163 G N 1.923 110.888 108.800 0.275 0.000 2.147 163 G HA2 0.101 4.060 3.960 -0.001 0.000 0.244 163 G HA3 0.101 4.060 3.960 -0.001 0.000 0.244 163 G C 0.293 175.333 174.900 0.233 0.000 1.005 163 G CA 0.587 45.823 45.100 0.228 0.000 0.713 163 G HN 1.558 nan 8.290 nan 0.000 0.515 164 G N -1.607 107.328 108.800 0.225 0.000 2.572 164 G HA2 0.362 4.321 3.960 -0.001 0.000 0.261 164 G HA3 0.362 4.321 3.960 -0.001 0.000 0.261 164 G C 0.949 176.024 174.900 0.291 0.000 1.197 164 G CA 0.155 45.397 45.100 0.237 0.000 0.870 164 G HN 0.371 nan 8.290 nan 0.000 0.548 165 W N 0.728 122.071 121.300 0.072 0.000 2.350 165 W HA -0.014 4.646 4.660 -0.001 0.000 0.289 165 W C 0.589 177.138 176.519 0.051 0.000 1.215 165 W CA 1.756 59.129 57.345 0.048 0.000 1.236 165 W CB 0.275 29.745 29.460 0.016 0.000 1.130 165 W HN 0.410 nan 8.180 nan 0.000 0.541 166 V N -2.708 117.338 119.914 0.220 0.000 3.103 166 V HA 0.493 4.612 4.120 -0.001 0.000 0.311 166 V C -0.482 175.702 176.094 0.149 0.000 1.322 166 V CA -1.288 61.086 62.300 0.123 0.000 1.063 166 V CB 1.732 33.644 31.823 0.149 0.000 1.090 166 V HN -0.067 nan 8.190 nan 0.000 0.462 167 M N 3.894 123.608 119.600 0.191 0.000 2.103 167 M HA 0.515 4.995 4.480 -0.001 0.000 0.350 167 M C -2.692 173.763 176.300 0.258 0.000 1.100 167 M CA -1.883 53.544 55.300 0.211 0.000 1.042 167 M CB 1.373 34.120 32.600 0.246 0.000 1.368 167 M HN 0.633 nan 8.290 nan 0.000 0.404 168 P HA 0.097 nan 4.420 nan 0.000 0.274 168 P C -0.890 176.420 177.300 0.017 0.000 1.231 168 P CA -0.132 63.018 63.100 0.083 0.000 0.790 168 P CB 0.501 32.236 31.700 0.058 0.000 0.951 169 D N 0.815 121.185 120.400 -0.050 0.000 2.478 169 D HA -0.096 4.544 4.640 -0.001 0.000 0.234 169 D C 0.755 177.067 176.300 0.020 0.000 1.154 169 D CA 0.761 54.717 54.000 -0.074 0.000 0.874 169 D CB 0.438 41.204 40.800 -0.056 0.000 1.198 169 D HN 0.309 nan 8.370 nan 0.000 0.455 170 E N 1.524 121.780 120.200 0.093 0.000 2.489 170 E HA 0.175 4.524 4.350 -0.001 0.000 0.204 170 E C 0.988 177.750 176.600 0.270 0.000 1.006 170 E CA 0.077 56.600 56.400 0.204 0.000 0.936 170 E CB 0.611 30.459 29.700 0.246 0.000 1.002 170 E HN 0.480 nan 8.360 nan 0.000 0.488 171 A N 1.633 124.558 122.820 0.175 0.000 1.862 171 A HA -0.005 4.314 4.320 -0.001 0.000 0.211 171 A C 1.842 179.289 177.584 -0.229 0.000 1.220 171 A CA 0.651 52.534 52.037 -0.257 0.000 0.616 171 A CB -0.049 18.795 19.000 -0.260 0.000 0.878 171 A HN 0.042 nan 8.150 nan 0.000 0.453 172 N N 0.807 119.470 118.700 -0.063 0.000 2.424 172 N HA -0.003 4.737 4.740 -0.001 0.000 0.178 172 N C 0.455 175.943 175.510 -0.037 0.000 1.060 172 N CA 0.778 53.791 53.050 -0.061 0.000 0.901 172 N CB -0.052 38.447 38.487 0.020 0.000 0.979 172 N HN 0.505 nan 8.380 nan 0.000 0.451 173 S N 0.819 116.509 115.700 -0.016 0.000 2.549 173 S HA 0.028 4.497 4.470 -0.001 0.000 0.283 173 S C 0.057 174.663 174.600 0.010 0.000 1.320 173 S CA -0.571 57.632 58.200 0.005 0.000 1.058 173 S CB 1.087 64.295 63.200 0.014 0.000 0.882 173 S HN 0.205 nan 8.310 nan 0.000 0.498 174 H N 3.390 122.432 119.070 -0.047 0.000 2.652 174 H HA 0.026 4.581 4.556 -0.001 0.000 0.349 174 H C 1.276 176.570 175.328 -0.058 0.000 1.099 174 H CA -0.105 55.901 56.048 -0.070 0.000 1.417 174 H CB 0.503 30.176 29.762 -0.149 0.000 1.457 174 H HN 1.029 nan 8.280 nan 0.000 0.568 175 W N 5.791 127.018 121.300 -0.123 0.000 2.325 175 W HA -0.192 4.468 4.660 -0.001 0.000 0.299 175 W C 1.224 177.811 176.519 0.114 0.000 1.215 175 W CA 0.474 57.809 57.345 -0.016 0.000 1.244 175 W CB -0.523 28.869 29.460 -0.113 0.000 1.140 175 W HN 0.545 nan 8.180 nan 0.000 0.523 176 R N 0.829 120.927 120.500 -0.670 0.000 2.091 176 R HA -0.166 4.174 4.340 -0.001 0.000 0.238 176 R C 2.047 178.174 176.300 -0.288 0.000 1.136 176 R CA 2.099 57.711 56.100 -0.814 0.000 0.959 176 R CB -0.468 29.311 30.300 -0.869 0.000 0.856 176 R HN 0.168 nan 8.270 nan 0.000 0.437 177 N N -0.200 118.416 118.700 -0.140 0.000 2.354 177 N HA -0.061 4.678 4.740 -0.001 0.000 0.179 177 N C 1.759 177.268 175.510 -0.003 0.000 1.021 177 N CA 0.737 53.750 53.050 -0.062 0.000 0.887 177 N CB -0.065 38.405 38.487 -0.028 0.000 0.974 177 N HN 0.002 nan 8.380 nan 0.000 0.437 178 V N 1.439 121.375 119.914 0.037 0.000 2.332 178 V HA -0.182 3.937 4.120 -0.001 0.000 0.248 178 V C 2.331 178.468 176.094 0.073 0.000 1.055 178 V CA 1.116 63.458 62.300 0.070 0.000 1.038 178 V CB -0.508 31.377 31.823 0.104 0.000 0.651 178 V HN 0.195 nan 8.190 nan 0.000 0.450 179 L N -0.410 120.866 121.223 0.088 0.000 2.093 179 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 179 L C 2.162 179.040 176.870 0.014 0.000 1.085 179 L CA 1.731 56.616 54.840 0.075 0.000 0.755 179 L CB -0.685 41.453 42.059 0.131 0.000 0.904 179 L HN 0.274 nan 8.230 nan 0.000 0.435 180 L N -0.070 121.138 121.223 -0.025 0.000 1.989 180 L HA -0.262 4.078 4.340 -0.001 0.000 0.211 180 L C 2.619 179.474 176.870 -0.025 0.000 1.071 180 L CA 2.431 57.244 54.840 -0.045 0.000 0.749 180 L CB -0.869 41.145 42.059 -0.074 0.000 0.890 180 L HN 0.678 nan 8.230 nan 0.000 0.431 181 Q N -1.029 118.776 119.800 0.009 0.000 2.119 181 Q HA -0.208 4.131 4.340 -0.001 0.000 0.201 181 Q C 2.048 178.126 176.000 0.130 0.000 0.972 181 Q CA 2.112 57.954 55.803 0.065 0.000 0.847 181 Q CB -1.216 27.594 28.738 0.120 0.000 0.903 181 Q HN 0.455 nan 8.270 nan 0.000 0.433 182 L N 0.977 122.265 121.223 0.108 0.000 2.017 182 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 182 L C 1.992 178.943 176.870 0.134 0.000 1.073 182 L CA 2.570 57.489 54.840 0.130 0.000 0.745 182 L CB -1.087 41.028 42.059 0.092 0.000 0.894 182 L HN 0.372 nan 8.230 nan 0.000 0.432 183 T N -0.976 113.624 114.554 0.077 0.000 2.788 183 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 183 T C 1.732 176.485 174.700 0.088 0.000 1.044 183 T CA 1.517 63.655 62.100 0.063 0.000 1.139 183 T CB -0.215 68.656 68.868 0.005 0.000 0.867 183 T HN 0.364 nan 8.240 nan 0.000 0.454 184 E N 0.980 121.208 120.200 0.047 0.000 2.072 184 E HA -0.026 4.323 4.350 -0.001 0.000 0.191 184 E C 2.350 179.072 176.600 0.203 0.000 0.985 184 E CA 1.501 57.883 56.400 -0.030 0.000 0.801 184 E CB -0.854 28.631 29.700 -0.358 0.000 0.750 184 E HN 0.442 nan 8.360 nan 0.000 0.452 185 G N -0.059 108.957 108.800 0.360 0.000 2.394 185 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.214 185 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.214 185 G C 1.511 176.634 174.900 0.373 0.000 1.176 185 G CA 0.627 46.032 45.100 0.509 0.000 0.786 185 G HN 0.256 nan 8.290 nan 0.000 0.533 186 Q N -0.134 119.820 119.800 0.257 0.000 2.172 186 Q HA -0.062 4.278 4.340 -0.001 0.000 0.200 186 Q C 2.785 178.885 176.000 0.166 0.000 0.964 186 Q CA 1.453 57.367 55.803 0.185 0.000 0.855 186 Q CB -0.180 28.650 28.738 0.153 0.000 0.918 186 Q HN 0.423 nan 8.270 nan 0.000 0.444 187 T N 0.038 114.704 114.554 0.186 0.000 2.777 187 T HA -0.173 4.176 4.350 -0.001 0.000 0.266 187 T C 1.088 175.894 174.700 0.177 0.000 1.040 187 T CA 0.942 63.126 62.100 0.141 0.000 1.141 187 T CB -0.386 68.561 68.868 0.131 0.000 0.868 187 T HN 0.464 nan 8.240 nan 0.000 0.444 188 W N 1.676 123.084 121.300 0.180 0.000 2.335 188 W HA -0.089 4.570 4.660 -0.001 0.000 0.311 188 W C 1.785 178.434 176.519 0.217 0.000 1.213 188 W CA 1.065 58.607 57.345 0.328 0.000 1.274 188 W CB -0.429 29.290 29.460 0.430 0.000 1.148 188 W HN 0.149 nan 8.180 nan 0.000 0.498 189 L N 0.445 121.871 121.223 0.338 0.000 2.093 189 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 189 L C 2.620 179.422 176.870 -0.114 0.000 1.085 189 L CA 1.666 56.534 54.840 0.046 0.000 0.755 189 L CB -0.895 41.130 42.059 -0.056 0.000 0.904 189 L HN -0.019 nan 8.230 nan 0.000 0.435 190 K N 0.060 120.417 120.400 -0.072 0.000 2.025 190 K HA -0.249 4.070 4.320 -0.001 0.000 0.207 190 K C 2.174 178.644 176.600 -0.215 0.000 1.049 190 K CA 1.522 57.743 56.287 -0.109 0.000 0.933 190 K CB -0.017 32.445 32.500 -0.063 0.000 0.714 190 K HN 0.257 nan 8.250 nan 0.000 0.438 191 Q N -0.797 118.806 119.800 -0.329 0.000 2.046 191 Q HA -0.145 4.194 4.340 -0.001 0.000 0.200 191 Q C 1.605 177.128 176.000 -0.794 0.000 0.975 191 Q CA 1.751 57.197 55.803 -0.594 0.000 0.836 191 Q CB 0.044 28.314 28.738 -0.780 0.000 0.896 191 Q HN 0.300 nan 8.270 nan 0.000 0.428 192 F N -1.507 118.078 119.950 -0.609 0.000 2.505 192 F HA 0.102 4.628 4.527 -0.001 0.000 0.289 192 F C 1.833 177.334 175.800 -0.498 0.000 1.101 192 F CA 0.303 57.877 58.000 -0.710 0.000 1.446 192 F CB 0.271 38.386 39.000 -1.475 0.000 1.123 192 F HN 0.088 nan 8.300 nan 0.000 0.564 193 M N -0.607 118.841 119.600 -0.254 0.000 2.382 193 M HA 0.174 4.654 4.480 -0.001 0.000 0.247 193 M C 0.318 176.601 176.300 -0.029 0.000 1.104 193 M CA 0.256 55.514 55.300 -0.071 0.000 1.030 193 M CB -1.045 31.542 32.600 -0.021 0.000 1.424 193 M HN 0.120 nan 8.290 nan 0.000 0.486 194 N N 1.728 120.376 118.700 -0.086 0.000 2.727 194 N HA -0.140 4.599 4.740 -0.001 0.000 0.249 194 N C -0.938 174.557 175.510 -0.025 0.000 1.048 194 N CA 0.728 53.741 53.050 -0.061 0.000 0.714 194 N CB -0.927 37.536 38.487 -0.040 0.000 0.959 194 N HN 0.326 nan 8.380 nan 0.000 0.544 195 V N -3.779 116.123 119.914 -0.021 0.000 3.007 195 V HA 0.893 5.013 4.120 -0.001 0.000 0.311 195 V C 0.024 176.109 176.094 -0.016 0.000 1.120 195 V CA -0.459 61.843 62.300 0.005 0.000 0.980 195 V CB 2.412 34.285 31.823 0.082 0.000 1.033 195 V HN 0.063 nan 8.190 nan 0.000 0.429 196 T N 3.743 118.277 114.554 -0.032 0.000 2.985 196 T HA 0.564 4.913 4.350 -0.001 0.000 0.315 196 T C -2.777 171.844 174.700 -0.132 0.000 1.001 196 T CA -0.720 61.341 62.100 -0.065 0.000 1.016 196 T CB 1.366 70.183 68.868 -0.085 0.000 0.993 196 T HN 0.790 nan 8.240 nan 0.000 0.454 197 P HA 0.148 nan 4.420 nan 0.000 0.266 197 P C 0.843 177.747 177.300 -0.660 0.000 1.195 197 P CA -0.097 62.888 63.100 -0.193 0.000 0.768 197 P CB 0.516 32.229 31.700 0.022 0.000 0.838 198 T N -1.675 112.554 114.554 -0.541 0.000 3.040 198 T HA 0.523 4.872 4.350 -0.001 0.000 0.266 198 T C 0.375 174.895 174.700 -0.300 0.000 1.005 198 T CA -0.269 61.385 62.100 -0.743 0.000 0.906 198 T CB 0.176 68.832 68.868 -0.353 0.000 1.082 198 T HN 0.413 nan 8.240 nan 0.000 0.531 199 A N 0.908 123.724 122.820 -0.008 0.000 2.331 199 A HA 0.796 5.116 4.320 -0.001 0.000 0.320 199 A C -0.119 177.758 177.584 0.487 0.000 1.138 199 A CA -0.678 51.510 52.037 0.251 0.000 0.790 199 A CB 1.734 20.895 19.000 0.270 0.000 1.206 199 A HN 0.255 nan 8.150 nan 0.000 0.470 200 S N 2.053 118.018 115.700 0.441 0.000 2.549 200 S HA 0.666 5.135 4.470 -0.001 0.000 0.297 200 S C -1.110 173.677 174.600 0.312 0.000 1.115 200 S CA -0.428 57.958 58.200 0.310 0.000 1.059 200 S CB 0.742 63.929 63.200 -0.022 0.000 1.046 200 S HN 0.782 nan 8.310 nan 0.000 0.506 201 W N 4.525 125.842 121.300 0.027 0.000 2.453 201 W HA 0.616 5.275 4.660 -0.001 0.000 0.310 201 W C -1.334 175.134 176.519 -0.085 0.000 1.000 201 W CA -0.806 56.508 57.345 -0.053 0.000 1.367 201 W CB 0.972 30.371 29.460 -0.102 0.000 1.269 201 W HN 0.775 nan 8.180 nan 0.000 0.418 202 A N 7.680 130.345 122.820 -0.258 0.000 2.842 202 A HA 0.271 4.591 4.320 -0.001 0.000 0.339 202 A C 0.383 177.733 177.584 -0.389 0.000 1.177 202 A CA -0.480 51.423 52.037 -0.224 0.000 0.797 202 A CB -0.429 18.565 19.000 -0.010 0.000 1.094 202 A HN 0.688 nan 8.150 nan 0.000 0.474 203 I N -2.819 117.350 120.570 -0.669 0.000 3.793 203 I HA 0.283 4.452 4.170 -0.001 0.000 0.315 203 I C 0.675 176.515 176.117 -0.462 0.000 1.275 203 I CA 0.864 61.747 61.300 -0.696 0.000 1.214 203 I CB 0.362 37.712 38.000 -1.084 0.000 1.018 203 I HN 0.337 nan 8.210 nan 0.000 0.439 204 D N 0.209 120.302 120.400 -0.512 0.000 2.449 204 D HA 0.235 4.874 4.640 -0.001 0.000 0.255 204 D C -2.260 173.615 176.300 -0.709 0.000 1.121 204 D CA -0.475 53.194 54.000 -0.553 0.000 0.830 204 D CB 0.284 40.680 40.800 -0.674 0.000 1.280 204 D HN 0.145 nan 8.370 nan 0.000 0.522 205 P HA 0.034 nan 4.420 nan 0.000 0.266 205 P C -0.519 176.356 177.300 -0.709 0.000 1.193 205 P CA 0.137 62.730 63.100 -0.844 0.000 0.770 205 P CB 0.159 31.512 31.700 -0.579 0.000 0.836 206 F N 2.392 122.124 119.950 -0.363 0.000 2.605 206 F HA 0.517 5.043 4.527 -0.001 0.000 0.352 206 F C 1.470 177.224 175.800 -0.078 0.000 1.236 206 F CA -0.526 57.214 58.000 -0.434 0.000 1.267 206 F CB -1.138 37.745 39.000 -0.196 0.000 1.632 206 F HN 0.514 nan 8.300 nan 0.000 0.639 207 G N 1.308 109.891 108.800 -0.361 0.000 2.663 207 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.686 207 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.686 207 G C -1.423 173.126 174.900 -0.586 0.000 1.246 207 G CA -1.148 43.817 45.100 -0.224 0.000 0.795 207 G HN 0.604 nan 8.290 nan 0.000 0.627 208 H N -0.499 118.252 119.070 -0.532 0.000 2.690 208 H HA 0.755 5.311 4.556 -0.001 0.000 0.368 208 H C -0.346 174.875 175.328 -0.178 0.000 1.150 208 H CA 0.034 55.977 56.048 -0.175 0.000 1.174 208 H CB 2.080 31.906 29.762 0.106 0.000 1.684 208 H HN 0.667 nan 8.280 nan 0.000 0.538 209 S N 2.321 118.189 115.700 0.281 0.000 2.482 209 S HA 0.249 4.719 4.470 -0.001 0.000 0.303 209 S C -1.801 172.827 174.600 0.047 0.000 1.091 209 S CA -1.792 56.578 58.200 0.283 0.000 1.057 209 S CB 1.345 64.748 63.200 0.339 0.000 1.031 209 S HN 0.451 nan 8.310 nan 0.000 0.485 210 P HA 0.001 nan 4.420 nan 0.000 0.234 210 P C 1.077 178.118 177.300 -0.431 0.000 1.167 210 P CA 0.780 63.469 63.100 -0.685 0.000 0.763 210 P CB -0.266 31.205 31.700 -0.381 0.000 0.835 211 T N -0.266 114.173 114.554 -0.193 0.000 2.881 211 T HA -0.090 4.259 4.350 -0.001 0.000 0.270 211 T C 1.826 176.480 174.700 -0.076 0.000 1.068 211 T CA 1.178 63.210 62.100 -0.113 0.000 1.131 211 T CB -0.377 68.466 68.868 -0.041 0.000 0.871 211 T HN 0.005 nan 8.240 nan 0.000 0.479 212 M N 0.939 120.449 119.600 -0.149 0.000 2.064 212 M HA 0.012 4.492 4.480 -0.001 0.000 0.260 212 M C -0.629 175.534 176.300 -0.229 0.000 1.073 212 M CA 1.182 56.393 55.300 -0.148 0.000 1.124 212 M CB -2.505 30.035 32.600 -0.100 0.000 1.326 212 M HN 0.122 nan 8.290 nan 0.000 0.410 213 P HA -0.197 nan 4.420 nan 0.000 0.220 213 P C 1.667 178.843 177.300 -0.207 0.000 1.148 213 P CA 1.398 64.309 63.100 -0.315 0.000 0.803 213 P CB -0.438 30.987 31.700 -0.458 0.000 0.782 214 Y N 1.037 121.155 120.300 -0.303 0.000 2.097 214 Y HA -0.207 4.342 4.550 -0.001 0.000 0.282 214 Y C 2.398 178.216 175.900 -0.136 0.000 1.152 214 Y CA 1.744 59.726 58.100 -0.197 0.000 1.136 214 Y CB -0.883 37.474 38.460 -0.172 0.000 0.975 214 Y HN -0.228 nan 8.280 nan 0.000 0.498 215 I N -0.590 119.993 120.570 0.022 0.000 2.286 215 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 215 I C 2.246 178.299 176.117 -0.106 0.000 1.104 215 I CA 1.018 62.307 61.300 -0.020 0.000 1.397 215 I CB -0.387 37.664 38.000 0.085 0.000 1.072 215 I HN 0.255 nan 8.210 nan 0.000 0.417 216 L N 0.172 121.281 121.223 -0.189 0.000 2.017 216 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 216 L C 2.698 179.566 176.870 -0.003 0.000 1.073 216 L CA 1.263 55.927 54.840 -0.294 0.000 0.745 216 L CB -0.737 40.952 42.059 -0.617 0.000 0.894 216 L HN 0.338 nan 8.230 nan 0.000 0.432 217 Q N 1.108 120.867 119.800 -0.069 0.000 2.226 217 Q HA -0.200 4.139 4.340 -0.001 0.000 0.204 217 Q C 1.649 177.615 176.000 -0.056 0.000 0.975 217 Q CA 1.504 57.285 55.803 -0.036 0.000 0.866 217 Q CB 0.108 28.792 28.738 -0.090 0.000 0.915 217 Q HN 0.467 nan 8.270 nan 0.000 0.440 218 K N -0.526 119.803 120.400 -0.120 0.000 2.458 218 K HA 0.117 4.436 4.320 -0.001 0.000 0.194 218 K C 0.596 177.169 176.600 -0.045 0.000 1.024 218 K CA 0.104 56.314 56.287 -0.127 0.000 1.108 218 K CB 0.548 32.901 32.500 -0.244 0.000 0.846 218 K HN -0.074 nan 8.250 nan 0.000 0.518 219 S N -0.257 115.474 115.700 0.051 0.000 2.855 219 S HA 0.203 4.672 4.470 -0.001 0.000 0.249 219 S C 0.700 175.403 174.600 0.172 0.000 1.033 219 S CA 0.078 58.353 58.200 0.125 0.000 1.038 219 S CB 1.353 64.674 63.200 0.201 0.000 0.960 219 S HN 0.509 nan 8.310 nan 0.000 0.548 220 G N 1.220 110.072 108.800 0.087 0.000 2.176 220 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.253 220 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.253 220 G C -0.043 174.822 174.900 -0.058 0.000 0.979 220 G CA -0.408 44.681 45.100 -0.018 0.000 0.641 220 G HN 0.437 nan 8.290 nan 0.000 0.530 221 F N 0.309 120.221 119.950 -0.064 0.000 2.410 221 F HA 0.576 5.102 4.527 -0.001 0.000 0.334 221 F C 1.586 177.331 175.800 -0.093 0.000 1.134 221 F CA -0.022 57.936 58.000 -0.069 0.000 1.227 221 F CB 1.008 39.970 39.000 -0.062 0.000 1.194 221 F HN -0.186 nan 8.300 nan 0.000 0.571 222 K N 0.808 121.228 120.400 0.034 0.000 2.425 222 K HA 0.250 4.569 4.320 -0.001 0.000 0.201 222 K C -0.382 176.164 176.600 -0.091 0.000 1.128 222 K CA 0.282 56.533 56.287 -0.061 0.000 1.000 222 K CB 0.333 32.750 32.500 -0.139 0.000 0.961 222 K HN 0.519 nan 8.250 nan 0.000 0.555 223 N N 0.796 119.422 118.700 -0.122 0.000 2.396 223 N HA 0.392 5.131 4.740 -0.001 0.000 0.275 223 N C -0.879 174.479 175.510 -0.253 0.000 1.218 223 N CA -0.390 52.414 53.050 -0.409 0.000 0.812 223 N CB 2.545 40.215 38.487 -1.362 0.000 1.592 223 N HN -0.068 nan 8.380 nan 0.000 0.480 224 M N -0.294 119.176 119.600 -0.217 0.000 2.575 224 M HA 0.648 5.128 4.480 -0.001 0.000 0.284 224 M C -1.919 174.438 176.300 0.096 0.000 1.253 224 M CA -0.948 54.345 55.300 -0.012 0.000 0.861 224 M CB 2.951 35.531 32.600 -0.033 0.000 1.733 224 M HN 0.474 nan 8.290 nan 0.000 0.462 225 L N 3.314 124.603 121.223 0.111 0.000 2.401 225 L HA 0.880 5.220 4.340 -0.001 0.000 0.266 225 L C -1.514 175.224 176.870 -0.220 0.000 0.991 225 L CA -0.745 54.114 54.840 0.032 0.000 0.818 225 L CB 2.158 44.271 42.059 0.090 0.000 1.321 225 L HN 0.967 nan 8.230 nan 0.000 0.413 226 I N 0.813 121.164 120.570 -0.365 0.000 3.145 226 I HA 0.615 4.785 4.170 -0.001 0.000 0.313 226 I C -0.768 175.041 176.117 -0.513 0.000 1.122 226 I CA -0.568 60.336 61.300 -0.660 0.000 0.987 226 I CB 2.263 39.568 38.000 -1.158 0.000 1.236 226 I HN 0.761 nan 8.210 nan 0.000 0.453 227 Q N 1.710 121.275 119.800 -0.391 0.000 2.546 227 Q HA 0.337 4.677 4.340 -0.001 0.000 0.226 227 Q C 0.001 175.897 176.000 -0.174 0.000 0.769 227 Q CA 0.315 55.968 55.803 -0.250 0.000 0.954 227 Q CB 0.597 29.186 28.738 -0.249 0.000 1.319 227 Q HN 0.644 nan 8.270 nan 0.000 0.534 228 R N 2.173 122.589 120.500 -0.140 0.000 2.612 228 R HA 0.305 4.644 4.340 -0.001 0.000 0.273 228 R C -0.659 175.459 176.300 -0.302 0.000 1.376 228 R CA 0.620 56.418 56.100 -0.503 0.000 1.171 228 R CB 0.121 29.766 30.300 -1.091 0.000 1.151 228 R HN 0.412 nan 8.270 nan 0.000 0.560 229 T N -2.399 112.171 114.554 0.027 0.000 2.924 229 T HA 0.132 4.481 4.350 -0.001 0.000 0.291 229 T C 0.019 174.972 174.700 0.422 0.000 1.045 229 T CA -0.884 61.339 62.100 0.205 0.000 1.015 229 T CB 1.813 70.634 68.868 -0.079 0.000 1.103 229 T HN 0.420 nan 8.240 nan 0.000 0.496 230 H N 2.061 121.337 119.070 0.343 0.000 3.094 230 H HA -0.036 4.519 4.556 -0.001 0.000 0.320 230 H C 1.116 176.493 175.328 0.083 0.000 1.000 230 H CA 0.483 56.627 56.048 0.160 0.000 1.413 230 H CB 0.335 30.226 29.762 0.216 0.000 1.405 230 H HN 0.927 nan 8.280 nan 0.000 0.586 231 Y N 2.542 122.918 120.300 0.127 0.000 2.241 231 Y HA -0.223 4.327 4.550 -0.001 0.000 0.286 231 Y C 2.154 178.217 175.900 0.272 0.000 1.166 231 Y CA 1.151 59.369 58.100 0.196 0.000 1.203 231 Y CB -0.787 37.729 38.460 0.094 0.000 0.977 231 Y HN 0.310 nan 8.280 nan 0.000 0.529 232 S N 0.293 116.002 115.700 0.014 0.000 2.383 232 S HA -0.121 4.349 4.470 -0.001 0.000 0.227 232 S C 2.097 176.637 174.600 -0.100 0.000 1.026 232 S CA 1.183 59.319 58.200 -0.107 0.000 0.981 232 S CB -0.596 62.338 63.200 -0.443 0.000 0.818 232 S HN 0.374 nan 8.310 nan 0.000 0.472 233 V N 1.937 121.856 119.914 0.007 0.000 2.307 233 V HA -0.155 3.964 4.120 -0.001 0.000 0.245 233 V C 2.265 178.407 176.094 0.081 0.000 1.045 233 V CA 1.560 63.890 62.300 0.050 0.000 1.024 233 V CB -0.518 31.440 31.823 0.226 0.000 0.651 233 V HN 0.393 nan 8.190 nan 0.000 0.449 234 K N 0.139 120.623 120.400 0.140 0.000 2.044 234 K HA -0.291 4.028 4.320 -0.001 0.000 0.210 234 K C 2.259 178.997 176.600 0.230 0.000 1.049 234 K CA 2.113 58.502 56.287 0.169 0.000 0.927 234 K CB -0.274 32.384 32.500 0.263 0.000 0.713 234 K HN 0.345 nan 8.250 nan 0.000 0.443 235 K N 1.005 121.538 120.400 0.221 0.000 2.032 235 K HA -0.247 4.072 4.320 -0.001 0.000 0.209 235 K C 2.153 178.858 176.600 0.174 0.000 1.048 235 K CA 1.845 58.267 56.287 0.224 0.000 0.927 235 K CB -0.006 32.554 32.500 0.101 0.000 0.712 235 K HN -0.018 nan 8.250 nan 0.000 0.441 236 E N 0.822 121.043 120.200 0.036 0.000 2.031 236 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 236 E C 1.946 178.545 176.600 -0.002 0.000 0.994 236 E CA 1.527 57.905 56.400 -0.037 0.000 0.800 236 E CB -0.242 29.389 29.700 -0.116 0.000 0.752 236 E HN 0.347 nan 8.360 nan 0.000 0.447 237 L N -0.147 121.086 121.223 0.016 0.000 2.046 237 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 237 L C 2.542 179.437 176.870 0.042 0.000 1.077 237 L CA 1.111 55.955 54.840 0.007 0.000 0.747 237 L CB -0.695 41.354 42.059 -0.017 0.000 0.896 237 L HN 0.192 nan 8.230 nan 0.000 0.432 238 A N -0.333 122.563 122.820 0.128 0.000 1.940 238 A HA -0.266 4.053 4.320 -0.001 0.000 0.219 238 A C 2.238 180.008 177.584 0.310 0.000 1.176 238 A CA 1.647 53.812 52.037 0.213 0.000 0.631 238 A CB -0.505 18.765 19.000 0.449 0.000 0.814 238 A HN 0.478 nan 8.150 nan 0.000 0.446 239 Q N -1.090 118.851 119.800 0.234 0.000 2.170 239 Q HA -0.157 4.182 4.340 -0.001 0.000 0.203 239 Q C 1.417 177.411 176.000 -0.010 0.000 0.976 239 Q CA 1.343 57.132 55.803 -0.023 0.000 0.858 239 Q CB -0.018 28.579 28.738 -0.234 0.000 0.907 239 Q HN 0.606 nan 8.270 nan 0.000 0.433 240 Q N -0.274 119.531 119.800 0.008 0.000 2.247 240 Q HA 0.136 4.475 4.340 -0.001 0.000 0.204 240 Q C -0.425 175.591 176.000 0.027 0.000 0.872 240 Q CA 0.002 55.805 55.803 0.001 0.000 0.951 240 Q CB 0.682 29.410 28.738 -0.015 0.000 1.099 240 Q HN 0.279 nan 8.270 nan 0.000 0.501 241 R N 0.817 121.339 120.500 0.036 0.000 3.333 241 R HA -0.208 4.131 4.340 -0.001 0.000 0.256 241 R C -0.212 176.118 176.300 0.050 0.000 1.010 241 R CA 0.464 56.575 56.100 0.018 0.000 0.680 241 R CB -1.978 28.359 30.300 0.061 0.000 1.102 241 R HN 0.383 nan 8.270 nan 0.000 0.440 242 Q N 0.136 119.955 119.800 0.032 0.000 2.206 242 Q HA 0.202 4.541 4.340 -0.001 0.000 0.265 242 Q C 1.153 177.233 176.000 0.132 0.000 0.866 242 Q CA -0.234 55.624 55.803 0.091 0.000 1.073 242 Q CB 0.535 29.292 28.738 0.033 0.000 1.165 242 Q HN 0.435 nan 8.270 nan 0.000 0.465 243 L N -0.035 121.195 121.223 0.012 0.000 2.418 243 L HA 0.068 4.408 4.340 -0.001 0.000 0.218 243 L C 0.296 177.134 176.870 -0.054 0.000 1.125 243 L CA 0.887 55.699 54.840 -0.046 0.000 0.835 243 L CB 0.375 42.206 42.059 -0.380 0.000 0.953 243 L HN 0.195 nan 8.230 nan 0.000 0.454 244 E N 0.285 120.504 120.200 0.031 0.000 2.158 244 E HA 0.515 4.865 4.350 -0.001 0.000 0.271 244 E C -1.233 175.279 176.600 -0.147 0.000 0.911 244 E CA -0.533 55.691 56.400 -0.293 0.000 0.767 244 E CB 1.501 31.150 29.700 -0.084 0.000 1.120 244 E HN -0.002 nan 8.360 nan 0.000 0.405 245 F N -0.280 119.408 119.950 -0.436 0.000 2.668 245 F HA 0.478 5.004 4.527 -0.001 0.000 0.309 245 F C -1.510 174.179 175.800 -0.186 0.000 1.117 245 F CA -1.424 56.468 58.000 -0.180 0.000 0.951 245 F CB 0.762 39.687 39.000 -0.125 0.000 1.323 245 F HN 0.153 nan 8.300 nan 0.000 0.451 246 L N 2.675 124.062 121.223 0.272 0.000 2.268 246 L HA 0.184 4.523 4.340 -0.001 0.000 0.289 246 L C -1.064 176.035 176.870 0.383 0.000 1.064 246 L CA -0.226 54.766 54.840 0.253 0.000 0.824 246 L CB 0.502 42.711 42.059 0.250 0.000 1.202 246 L HN 0.589 nan 8.230 nan 0.000 0.433 247 W N 6.758 128.169 121.300 0.185 0.000 2.387 247 W HA 0.354 5.014 4.660 -0.001 0.000 0.310 247 W C 0.171 176.718 176.519 0.046 0.000 1.181 247 W CA -1.294 56.176 57.345 0.209 0.000 1.333 247 W CB 0.543 30.170 29.460 0.278 0.000 1.286 247 W HN 0.514 nan 8.180 nan 0.000 0.455 248 R N 3.925 124.607 120.500 0.303 0.000 2.787 248 R HA 0.530 4.869 4.340 -0.001 0.000 0.271 248 R C -0.112 176.108 176.300 -0.133 0.000 0.993 248 R CA -0.892 55.212 56.100 0.007 0.000 0.993 248 R CB 1.209 31.495 30.300 -0.023 0.000 1.155 248 R HN 0.247 nan 8.270 nan 0.000 0.486 249 Q N 1.558 121.122 119.800 -0.392 0.000 2.421 249 Q HA 0.052 4.391 4.340 -0.001 0.000 0.255 249 Q C 1.456 177.057 176.000 -0.666 0.000 1.013 249 Q CA 0.125 55.490 55.803 -0.730 0.000 0.895 249 Q CB 0.766 28.650 28.738 -1.424 0.000 1.271 249 Q HN 0.852 nan 8.270 nan 0.000 0.460 250 I N -2.063 118.215 120.570 -0.487 0.000 2.454 250 I HA -0.150 4.020 4.170 -0.001 0.000 0.254 250 I C 1.285 177.356 176.117 -0.077 0.000 1.156 250 I CA 1.261 62.456 61.300 -0.175 0.000 1.433 250 I CB -0.358 37.638 38.000 -0.007 0.000 1.082 250 I HN 0.669 nan 8.210 nan 0.000 0.432 251 W N 1.313 122.677 121.300 0.107 0.000 3.220 251 W HA 0.375 5.035 4.660 -0.001 0.000 0.328 251 W C 0.173 176.769 176.519 0.129 0.000 1.205 251 W CA -0.781 56.684 57.345 0.200 0.000 1.773 251 W CB -0.703 28.964 29.460 0.345 0.000 1.086 251 W HN -0.066 nan 8.180 nan 0.000 0.622 252 D N 1.819 122.006 120.400 -0.355 0.000 2.422 252 D HA -0.011 4.628 4.640 -0.001 0.000 0.227 252 D C 0.948 177.234 176.300 -0.024 0.000 1.190 252 D CA 0.120 54.015 54.000 -0.175 0.000 0.905 252 D CB 0.340 40.934 40.800 -0.344 0.000 1.034 252 D HN 0.048 nan 8.370 nan 0.000 0.507 253 N N 3.607 122.351 118.700 0.073 0.000 2.216 253 N HA -0.131 4.608 4.740 -0.001 0.000 0.183 253 N C 1.425 176.957 175.510 0.037 0.000 1.017 253 N CA 1.093 54.175 53.050 0.053 0.000 0.861 253 N CB 0.149 38.686 38.487 0.084 0.000 0.986 253 N HN 0.367 nan 8.380 nan 0.000 0.428 254 K N -1.277 119.150 120.400 0.045 0.000 2.137 254 K HA 0.096 4.416 4.320 -0.001 0.000 0.202 254 K C 0.660 177.276 176.600 0.027 0.000 1.052 254 K CA 1.017 57.327 56.287 0.038 0.000 0.961 254 K CB 0.071 32.599 32.500 0.047 0.000 0.741 254 K HN 0.214 nan 8.250 nan 0.000 0.452 255 G N 0.789 109.598 108.800 0.015 0.000 2.163 255 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.213 255 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.213 255 G C 0.159 175.065 174.900 0.009 0.000 0.991 255 G CA 0.340 45.447 45.100 0.011 0.000 0.653 255 G HN 0.371 nan 8.290 nan 0.000 0.518 256 D N 0.589 120.995 120.400 0.010 0.000 2.348 256 D HA 0.002 4.641 4.640 -0.001 0.000 0.216 256 D C 2.584 178.874 176.300 -0.016 0.000 0.970 256 D CA 1.641 55.644 54.000 0.006 0.000 0.889 256 D CB -0.166 40.644 40.800 0.016 0.000 0.912 256 D HN 0.650 nan 8.370 nan 0.000 0.524 257 T N -1.970 112.564 114.554 -0.035 0.000 3.113 257 T HA 0.270 4.620 4.350 -0.001 0.000 0.256 257 T C 1.010 175.672 174.700 -0.064 0.000 1.131 257 T CA -0.065 61.991 62.100 -0.073 0.000 1.074 257 T CB 0.011 68.814 68.868 -0.109 0.000 0.944 257 T HN 0.049 nan 8.240 nan 0.000 0.516 258 A N 1.400 124.209 122.820 -0.018 0.000 2.511 258 A HA 0.561 4.880 4.320 -0.001 0.000 0.242 258 A C -0.280 177.329 177.584 0.041 0.000 1.069 258 A CA -0.375 51.683 52.037 0.034 0.000 0.763 258 A CB -0.095 18.949 19.000 0.075 0.000 1.001 258 A HN 0.560 nan 8.150 nan 0.000 0.498 259 L N 2.802 124.072 121.223 0.079 0.000 2.409 259 L HA 0.569 4.908 4.340 -0.001 0.000 0.272 259 L C -0.667 176.267 176.870 0.107 0.000 0.980 259 L CA -0.566 54.315 54.840 0.068 0.000 0.826 259 L CB 1.431 43.493 42.059 0.005 0.000 1.268 259 L HN 0.659 nan 8.230 nan 0.000 0.407 260 F N 4.002 123.921 119.950 -0.052 0.000 2.578 260 F HA 0.390 4.916 4.527 -0.001 0.000 0.381 260 F C -0.018 175.673 175.800 -0.181 0.000 1.069 260 F CA 0.761 58.700 58.000 -0.101 0.000 1.231 260 F CB 0.409 39.363 39.000 -0.077 0.000 1.086 260 F HN 0.582 nan 8.300 nan 0.000 0.564 261 T N 5.449 119.430 114.554 -0.955 0.000 2.861 261 T HA 0.200 4.549 4.350 -0.001 0.000 0.287 261 T C -1.561 172.488 174.700 -1.084 0.000 1.003 261 T CA -0.480 61.135 62.100 -0.809 0.000 0.977 261 T CB 0.924 69.341 68.868 -0.751 0.000 0.996 261 T HN 0.613 nan 8.240 nan 0.000 0.448 262 H N 2.839 121.590 119.070 -0.532 0.000 2.541 262 H HA 0.601 5.156 4.556 -0.001 0.000 0.316 262 H C -0.324 174.797 175.328 -0.345 0.000 1.043 262 H CA -0.735 55.117 56.048 -0.328 0.000 1.232 262 H CB 0.695 30.492 29.762 0.058 0.000 1.406 262 H HN 0.482 nan 8.280 nan 0.000 0.469 263 M N 6.745 125.992 119.600 -0.589 0.000 2.108 263 M HA 0.275 4.754 4.480 -0.001 0.000 0.354 263 M C -0.888 175.151 176.300 -0.434 0.000 1.229 263 M CA -0.607 54.426 55.300 -0.445 0.000 1.081 263 M CB 0.579 32.970 32.600 -0.347 0.000 1.606 263 M HN 0.714 nan 8.290 nan 0.000 0.467 264 M N 7.400 126.848 119.600 -0.252 0.000 2.248 264 M HA 0.160 4.639 4.480 -0.001 0.000 0.337 264 M C -1.528 174.639 176.300 -0.222 0.000 1.121 264 M CA -1.050 54.147 55.300 -0.171 0.000 1.155 264 M CB 0.225 32.743 32.600 -0.136 0.000 1.514 264 M HN 0.461 nan 8.290 nan 0.000 0.452 265 P HA 0.114 nan 4.420 nan 0.000 0.245 265 P C -0.446 176.685 177.300 -0.283 0.000 1.203 265 P CA 0.911 63.708 63.100 -0.505 0.000 0.792 265 P CB 0.365 31.404 31.700 -1.102 0.000 0.997 266 F N -2.032 117.929 119.950 0.019 0.000 2.697 266 F HA 0.305 4.831 4.527 -0.001 0.000 0.386 266 F C 1.899 177.792 175.800 0.156 0.000 1.154 266 F CA -1.528 56.521 58.000 0.083 0.000 1.108 266 F CB -0.819 38.162 39.000 -0.031 0.000 1.429 266 F HN -0.336 nan 8.300 nan 0.000 0.509 267 Y N 0.046 120.502 120.300 0.259 0.000 2.373 267 Y HA 0.147 4.696 4.550 -0.001 0.000 0.293 267 Y C 0.876 176.694 175.900 -0.136 0.000 1.129 267 Y CA 1.400 59.512 58.100 0.020 0.000 1.226 267 Y CB 0.127 38.522 38.460 -0.108 0.000 1.000 267 Y HN 0.345 nan 8.280 nan 0.000 0.549 268 S N -1.693 113.878 115.700 -0.216 0.000 2.618 268 S HA 0.258 4.727 4.470 -0.001 0.000 0.277 268 S C -0.445 174.069 174.600 -0.145 0.000 1.138 268 S CA -0.418 57.535 58.200 -0.412 0.000 0.844 268 S CB 0.401 63.316 63.200 -0.474 0.000 1.127 268 S HN 0.292 nan 8.310 nan 0.000 0.474 269 Y N 0.842 121.100 120.300 -0.070 0.000 2.466 269 Y HA 0.326 4.876 4.550 -0.001 0.000 0.272 269 Y C 0.400 176.385 175.900 0.143 0.000 1.169 269 Y CA -0.702 57.392 58.100 -0.010 0.000 1.285 269 Y CB -1.062 37.312 38.460 -0.143 0.000 1.078 269 Y HN 0.536 nan 8.280 nan 0.000 0.523 270 D N 0.557 120.997 120.400 0.066 0.000 2.384 270 D HA -0.006 4.633 4.640 -0.001 0.000 0.244 270 D C 1.253 177.704 176.300 0.250 0.000 1.251 270 D CA -0.413 53.715 54.000 0.213 0.000 0.961 270 D CB 0.793 41.678 40.800 0.141 0.000 1.116 270 D HN 0.242 nan 8.370 nan 0.000 0.484 271 I N -0.424 120.264 120.570 0.197 0.000 2.252 271 I HA -0.118 4.051 4.170 -0.001 0.000 0.245 271 I C -0.753 175.412 176.117 0.080 0.000 1.102 271 I CA 0.621 62.016 61.300 0.158 0.000 1.385 271 I CB -1.209 36.867 38.000 0.127 0.000 1.064 271 I HN 0.300 nan 8.210 nan 0.000 0.414 272 P HA -0.179 nan 4.420 nan 0.000 0.218 272 P C 0.634 177.649 177.300 -0.474 0.000 1.146 272 P CA 1.675 64.603 63.100 -0.287 0.000 0.813 272 P CB -0.142 31.359 31.700 -0.332 0.000 0.778 273 H N -2.989 116.078 119.070 -0.005 0.000 2.487 273 H HA 0.215 4.770 4.556 -0.001 0.000 0.290 273 H C 0.941 176.371 175.328 0.169 0.000 1.081 273 H CA 0.684 56.743 56.048 0.019 0.000 1.116 273 H CB -0.291 29.547 29.762 0.128 0.000 1.560 273 H HN 0.132 nan 8.280 nan 0.000 0.548 274 T N -4.354 110.322 114.554 0.205 0.000 2.986 274 T HA -0.025 4.324 4.350 -0.001 0.000 0.264 274 T C 1.811 176.638 174.700 0.211 0.000 0.964 274 T CA 0.362 62.608 62.100 0.243 0.000 0.895 274 T CB -0.696 68.305 68.868 0.222 0.000 1.163 274 T HN 0.510 nan 8.240 nan 0.000 0.517 275 c N 1.599 120.297 118.600 0.163 0.000 2.533 275 c HA 0.710 5.279 4.570 -0.001 0.000 0.272 275 c C 1.323 175.544 174.090 0.219 0.000 1.371 275 c CA 0.382 56.849 56.329 0.231 0.000 1.758 275 c CB -1.145 41.462 42.510 0.162 0.000 1.972 275 c HN 0.872 nan 8.230 nan 0.000 0.522 276 G N -0.412 108.442 108.800 0.090 0.000 2.315 276 G HA2 0.389 4.349 3.960 -0.001 0.000 0.294 276 G HA3 0.389 4.349 3.960 -0.001 0.000 0.294 276 G C -2.731 171.800 174.900 -0.614 0.000 1.300 276 G CA 0.208 45.292 45.100 -0.026 0.000 0.843 276 G HN -0.117 nan 8.290 nan 0.000 0.527 277 P HA 0.090 nan 4.420 nan 0.000 0.229 277 P C -0.092 176.764 177.300 -0.740 0.000 1.160 277 P CA 1.058 63.457 63.100 -1.168 0.000 0.777 277 P CB 0.356 31.712 31.700 -0.573 0.000 0.814 278 D N 0.753 120.843 120.400 -0.516 0.000 2.454 278 D HA 0.139 4.778 4.640 -0.001 0.000 0.225 278 D C -1.530 174.427 176.300 -0.571 0.000 1.081 278 D CA -2.569 51.177 54.000 -0.425 0.000 0.864 278 D CB 1.321 41.959 40.800 -0.269 0.000 1.040 278 D HN 0.008 nan 8.370 nan 0.000 0.517 279 P HA -0.113 nan 4.420 nan 0.000 0.223 279 P C 1.215 177.688 177.300 -1.377 0.000 1.151 279 P CA 0.556 62.917 63.100 -1.231 0.000 0.787 279 P CB 0.535 31.230 31.700 -1.675 0.000 0.788 280 K N 0.382 120.123 120.400 -1.098 0.000 2.147 280 K HA -0.063 4.256 4.320 -0.001 0.000 0.205 280 K C 1.773 178.189 176.600 -0.308 0.000 1.049 280 K CA 1.079 57.013 56.287 -0.590 0.000 0.936 280 K CB -0.230 32.124 32.500 -0.243 0.000 0.722 280 K HN -0.074 nan 8.250 nan 0.000 0.446 281 V N 0.390 120.132 119.914 -0.286 0.000 2.331 281 V HA -0.238 3.882 4.120 -0.001 0.000 0.242 281 V C 2.421 178.488 176.094 -0.045 0.000 1.034 281 V CA 1.392 63.622 62.300 -0.117 0.000 1.027 281 V CB -0.357 31.404 31.823 -0.103 0.000 0.667 281 V HN 0.476 nan 8.190 nan 0.000 0.457 282 c N -0.648 117.845 118.600 -0.179 0.000 2.413 282 c HA -0.224 4.345 4.570 -0.001 0.000 0.277 282 c C 2.997 177.052 174.090 -0.058 0.000 1.265 282 c CA 0.878 57.159 56.329 -0.081 0.000 1.752 282 c CB -1.492 40.897 42.510 -0.202 0.000 1.998 282 c HN 0.758 nan 8.230 nan 0.000 0.489 283 c N 0.869 119.345 118.600 -0.206 0.000 2.410 283 c HA -0.164 4.405 4.570 -0.001 0.000 0.281 283 c C 2.613 176.603 174.090 -0.166 0.000 1.318 283 c CA 1.297 57.560 56.329 -0.111 0.000 1.776 283 c CB -1.502 41.017 42.510 0.015 0.000 1.942 283 c HN 0.645 nan 8.230 nan 0.000 0.508 284 Q N -1.433 118.227 119.800 -0.234 0.000 2.515 284 Q HA -0.028 4.311 4.340 -0.001 0.000 0.212 284 Q C 0.716 176.088 176.000 -1.046 0.000 0.970 284 Q CA 1.013 56.495 55.803 -0.534 0.000 0.941 284 Q CB -0.034 28.376 28.738 -0.547 0.000 0.998 284 Q HN 0.754 nan 8.270 nan 0.000 0.518 285 F N -0.518 119.140 119.950 -0.487 0.000 2.683 285 F HA 0.168 4.694 4.527 -0.001 0.000 0.306 285 F C 0.239 175.735 175.800 -0.506 0.000 1.102 285 F CA -0.634 56.962 58.000 -0.672 0.000 1.244 285 F CB 0.814 39.681 39.000 -0.222 0.000 1.029 285 F HN -0.141 nan 8.300 nan 0.000 0.545 286 D N 0.230 120.418 120.400 -0.355 0.000 2.456 286 D HA 0.123 4.763 4.640 -0.001 0.000 0.219 286 D C 0.537 176.652 176.300 -0.308 0.000 1.126 286 D CA -0.224 53.662 54.000 -0.190 0.000 0.890 286 D CB 0.092 40.850 40.800 -0.069 0.000 1.025 286 D HN 0.091 nan 8.370 nan 0.000 0.511 287 F N 1.757 121.710 119.950 0.005 0.000 2.802 287 F HA 0.096 4.623 4.527 -0.001 0.000 0.300 287 F C 2.324 178.080 175.800 -0.074 0.000 1.168 287 F CA 0.278 58.257 58.000 -0.035 0.000 1.433 287 F CB 0.052 39.048 39.000 -0.006 0.000 1.115 287 F HN 0.261 nan 8.300 nan 0.000 0.582 288 K N 0.700 121.044 120.400 -0.093 0.000 2.487 288 K HA 0.055 4.375 4.320 -0.001 0.000 0.192 288 K C 1.001 177.580 176.600 -0.035 0.000 1.027 288 K CA 0.255 56.373 56.287 -0.282 0.000 1.054 288 K CB 0.113 32.298 32.500 -0.525 0.000 0.824 288 K HN 0.182 nan 8.250 nan 0.000 0.510 289 R N 0.094 120.592 120.500 -0.004 0.000 2.702 289 R HA 0.209 4.548 4.340 -0.001 0.000 0.314 289 R C 0.816 177.146 176.300 0.050 0.000 1.152 289 R CA -0.174 55.944 56.100 0.030 0.000 1.097 289 R CB 0.260 30.556 30.300 -0.006 0.000 1.343 289 R HN 0.181 nan 8.270 nan 0.000 0.575 290 M N -1.267 118.398 119.600 0.108 0.000 2.509 290 M HA 0.172 4.651 4.480 -0.001 0.000 0.250 290 M C 1.186 177.523 176.300 0.062 0.000 1.132 290 M CA 0.784 56.130 55.300 0.076 0.000 1.080 290 M CB 0.967 33.621 32.600 0.091 0.000 1.408 290 M HN 0.502 nan 8.290 nan 0.000 0.484 291 G N -0.151 108.700 108.800 0.085 0.000 3.465 291 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.196 291 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.196 291 G C 0.986 175.886 174.900 0.001 0.000 1.170 291 G CA 0.256 45.379 45.100 0.037 0.000 0.887 291 G HN 0.390 nan 8.290 nan 0.000 0.444 292 S N 0.288 115.947 115.700 -0.069 0.000 2.469 292 S HA 0.126 4.595 4.470 -0.001 0.000 0.238 292 S C 1.712 176.108 174.600 -0.339 0.000 0.998 292 S CA 1.695 59.756 58.200 -0.233 0.000 0.957 292 S CB -0.459 62.526 63.200 -0.358 0.000 0.764 292 S HN 0.401 nan 8.310 nan 0.000 0.514 293 F N 1.735 121.680 119.950 -0.008 0.000 2.693 293 F HA 0.444 4.970 4.527 -0.001 0.000 0.303 293 F C 1.829 177.626 175.800 -0.005 0.000 1.097 293 F CA -0.224 57.770 58.000 -0.010 0.000 1.330 293 F CB -0.219 38.771 39.000 -0.016 0.000 1.067 293 F HN 0.328 nan 8.300 nan 0.000 0.565 294 G N 1.448 110.316 108.800 0.113 0.000 2.249 294 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.273 294 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.273 294 G C -0.159 174.793 174.900 0.087 0.000 1.036 294 G CA 0.159 45.304 45.100 0.076 0.000 0.824 294 G HN 0.340 nan 8.290 nan 0.000 0.504 295 L N -0.046 121.242 121.223 0.107 0.000 2.354 295 L HA 0.835 5.175 4.340 -0.001 0.000 0.269 295 L C 0.482 177.388 176.870 0.061 0.000 1.005 295 L CA -0.407 54.481 54.840 0.079 0.000 0.819 295 L CB 2.364 44.469 42.059 0.075 0.000 1.311 295 L HN 0.407 nan 8.230 nan 0.000 0.423 296 S N -0.489 115.236 115.700 0.040 0.000 2.720 296 S HA 0.556 5.025 4.470 -0.001 0.000 0.287 296 S C -1.100 173.522 174.600 0.035 0.000 1.168 296 S CA -0.796 57.421 58.200 0.028 0.000 0.832 296 S CB 1.699 64.904 63.200 0.009 0.000 1.166 296 S HN 0.529 nan 8.310 nan 0.000 0.493 297 c N 3.025 121.652 118.600 0.044 0.000 2.265 297 c HA 0.541 5.110 4.570 -0.001 0.000 0.332 297 c C -1.080 173.015 174.090 0.009 0.000 1.248 297 c CA -1.121 55.275 56.329 0.112 0.000 1.727 297 c CB 0.711 43.321 42.510 0.167 0.000 2.348 297 c HN 0.751 nan 8.230 nan 0.000 0.519 298 P HA -0.057 nan 4.420 nan 0.000 0.233 298 P C 1.023 178.048 177.300 -0.459 0.000 1.167 298 P CA 1.067 63.917 63.100 -0.417 0.000 0.770 298 P CB 0.092 31.388 31.700 -0.674 0.000 0.837 299 W N 1.012 122.290 121.300 -0.037 0.000 3.292 299 W HA 0.165 4.825 4.660 -0.001 0.000 0.263 299 W C 0.618 177.110 176.519 -0.045 0.000 1.318 299 W CA 0.073 57.391 57.345 -0.046 0.000 1.663 299 W CB -0.466 28.957 29.460 -0.061 0.000 1.114 299 W HN 0.158 nan 8.180 nan 0.000 0.706 300 K N -1.107 119.348 120.400 0.092 0.000 3.446 300 K HA -0.187 4.133 4.320 -0.001 0.000 0.312 300 K C -0.300 176.324 176.600 0.041 0.000 1.329 300 K CA 0.559 56.870 56.287 0.040 0.000 0.935 300 K CB -2.134 30.376 32.500 0.016 0.000 1.281 300 K HN -0.083 nan 8.250 nan 0.000 0.457 301 V N 2.025 121.975 119.914 0.060 0.000 2.378 301 V HA 0.334 4.453 4.120 -0.001 0.000 0.288 301 V C -1.741 174.341 176.094 -0.020 0.000 1.016 301 V CA -1.552 60.752 62.300 0.007 0.000 0.840 301 V CB 1.443 33.261 31.823 -0.009 0.000 0.994 301 V HN -0.021 nan 8.190 nan 0.000 0.431 302 P HA 0.459 nan 4.420 nan 0.000 0.278 302 P C -2.880 174.333 177.300 -0.145 0.000 1.266 302 P CA -2.184 60.877 63.100 -0.066 0.000 0.807 302 P CB 0.523 32.197 31.700 -0.043 0.000 1.094 303 P HA 0.284 nan 4.420 nan 0.000 0.272 303 P C -0.337 176.866 177.300 -0.161 0.000 1.223 303 P CA 0.069 62.975 63.100 -0.325 0.000 0.784 303 P CB 0.579 32.029 31.700 -0.417 0.000 0.923 304 R N 0.393 120.806 120.500 -0.144 0.000 2.621 304 R HA 0.408 4.747 4.340 -0.001 0.000 0.292 304 R C -0.326 176.027 176.300 0.087 0.000 0.969 304 R CA -0.665 55.418 56.100 -0.028 0.000 0.887 304 R CB 1.316 31.574 30.300 -0.070 0.000 1.180 304 R HN 0.366 nan 8.270 nan 0.000 0.450 305 T N 3.774 118.371 114.554 0.072 0.000 2.933 305 T HA 0.015 4.364 4.350 -0.001 0.000 0.306 305 T C 0.738 175.420 174.700 -0.030 0.000 1.045 305 T CA 0.152 62.265 62.100 0.021 0.000 1.143 305 T CB 0.167 69.031 68.868 -0.007 0.000 1.003 305 T HN 0.195 nan 8.240 nan 0.000 0.540 306 I N 3.955 124.457 120.570 -0.113 0.000 2.416 306 I HA 0.247 4.417 4.170 -0.001 0.000 0.288 306 I C 1.000 177.061 176.117 -0.095 0.000 1.051 306 I CA -0.021 61.214 61.300 -0.108 0.000 1.375 306 I CB 0.214 38.110 38.000 -0.173 0.000 1.407 306 I HN 0.772 nan 8.210 nan 0.000 0.516 307 S N 3.883 119.540 115.700 -0.071 0.000 2.704 307 S HA 0.453 4.922 4.470 -0.001 0.000 0.296 307 S C 0.451 175.014 174.600 -0.063 0.000 1.138 307 S CA -0.765 57.400 58.200 -0.058 0.000 0.875 307 S CB 1.944 65.119 63.200 -0.043 0.000 1.151 307 S HN 0.496 nan 8.310 nan 0.000 0.500 308 D N 0.627 120.999 120.400 -0.047 0.000 2.182 308 D HA -0.090 4.550 4.640 -0.001 0.000 0.201 308 D C 1.583 177.850 176.300 -0.056 0.000 0.986 308 D CA 1.516 55.489 54.000 -0.046 0.000 0.847 308 D CB -0.268 40.520 40.800 -0.019 0.000 0.942 308 D HN 0.526 nan 8.370 nan 0.000 0.467 309 Q N -0.049 119.724 119.800 -0.045 0.000 2.378 309 Q HA -0.013 4.327 4.340 -0.001 0.000 0.205 309 Q C 1.242 177.213 176.000 -0.047 0.000 0.954 309 Q CA 0.783 56.563 55.803 -0.039 0.000 0.901 309 Q CB 0.007 28.729 28.738 -0.027 0.000 0.981 309 Q HN 0.370 nan 8.270 nan 0.000 0.483 310 N N -1.798 116.866 118.700 -0.060 0.000 2.166 310 N HA -0.013 4.726 4.740 -0.001 0.000 0.213 310 N C 1.083 176.548 175.510 -0.075 0.000 1.222 310 N CA 0.157 53.175 53.050 -0.054 0.000 0.900 310 N CB -0.275 38.187 38.487 -0.041 0.000 1.055 310 N HN 0.051 nan 8.380 nan 0.000 0.515 311 V N 0.689 120.521 119.914 -0.136 0.000 2.407 311 V HA -0.051 4.068 4.120 -0.001 0.000 0.248 311 V C 2.254 178.174 176.094 -0.289 0.000 1.055 311 V CA 2.114 64.290 62.300 -0.206 0.000 1.049 311 V CB -0.855 30.808 31.823 -0.265 0.000 0.662 311 V HN 0.427 nan 8.190 nan 0.000 0.455 312 A N -0.258 122.356 122.820 -0.344 0.000 1.898 312 A HA -0.006 4.313 4.320 -0.001 0.000 0.216 312 A C 2.414 180.055 177.584 0.095 0.000 1.181 312 A CA 2.030 53.992 52.037 -0.124 0.000 0.620 312 A CB -0.960 18.055 19.000 0.024 0.000 0.819 312 A HN 0.798 nan 8.150 nan 0.000 0.442 313 A N -0.489 122.353 122.820 0.036 0.000 1.898 313 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 313 A C 2.257 179.886 177.584 0.075 0.000 1.181 313 A CA 1.338 53.412 52.037 0.061 0.000 0.620 313 A CB -0.408 18.608 19.000 0.027 0.000 0.819 313 A HN 0.411 nan 8.150 nan 0.000 0.442 314 R N -0.046 120.491 120.500 0.062 0.000 2.075 314 R HA -0.030 4.309 4.340 -0.001 0.000 0.232 314 R C 2.443 178.791 176.300 0.080 0.000 1.126 314 R CA 1.463 57.655 56.100 0.154 0.000 0.963 314 R CB -0.876 29.517 30.300 0.155 0.000 0.858 314 R HN 0.532 nan 8.270 nan 0.000 0.435 315 S N 1.359 117.064 115.700 0.007 0.000 2.368 315 S HA -0.159 4.310 4.470 -0.001 0.000 0.225 315 S C 1.427 175.900 174.600 -0.212 0.000 1.030 315 S CA 1.546 59.653 58.200 -0.154 0.000 0.999 315 S CB -0.338 62.898 63.200 0.061 0.000 0.844 315 S HN 0.287 nan 8.310 nan 0.000 0.459 316 D N 1.270 121.739 120.400 0.115 0.000 2.160 316 D HA -0.137 4.502 4.640 -0.001 0.000 0.189 316 D C 1.849 178.149 176.300 -0.000 0.000 1.003 316 D CA 1.141 55.254 54.000 0.189 0.000 0.846 316 D CB -0.273 40.643 40.800 0.193 0.000 0.949 316 D HN 0.216 nan 8.370 nan 0.000 0.446 317 L N -0.403 120.799 121.223 -0.036 0.000 2.017 317 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 317 L C 2.290 178.968 176.870 -0.320 0.000 1.073 317 L CA 0.634 55.429 54.840 -0.075 0.000 0.745 317 L CB -0.272 41.830 42.059 0.071 0.000 0.894 317 L HN 0.200 nan 8.230 nan 0.000 0.432 318 L N -0.923 119.916 121.223 -0.639 0.000 2.044 318 L HA -0.106 4.234 4.340 -0.001 0.000 0.205 318 L C 2.324 178.494 176.870 -1.167 0.000 1.075 318 L CA 1.495 55.630 54.840 -1.174 0.000 0.747 318 L CB -0.375 40.712 42.059 -1.619 0.000 0.903 318 L HN -0.091 nan 8.230 nan 0.000 0.435 319 V N 0.102 119.451 119.914 -0.942 0.000 2.392 319 V HA -0.322 3.797 4.120 -0.001 0.000 0.249 319 V C 2.322 178.249 176.094 -0.278 0.000 1.059 319 V CA 1.985 63.906 62.300 -0.633 0.000 1.051 319 V CB -0.817 30.639 31.823 -0.612 0.000 0.658 319 V HN 0.593 nan 8.190 nan 0.000 0.455 320 D N -0.839 119.455 120.400 -0.177 0.000 2.117 320 D HA -0.208 4.431 4.640 -0.001 0.000 0.197 320 D C 2.228 178.504 176.300 -0.039 0.000 0.987 320 D CA 1.152 55.160 54.000 0.013 0.000 0.829 320 D CB -0.023 40.838 40.800 0.102 0.000 0.961 320 D HN 0.290 nan 8.370 nan 0.000 0.460 321 Q N -0.433 119.273 119.800 -0.157 0.000 2.061 321 Q HA -0.150 4.190 4.340 -0.001 0.000 0.204 321 Q C 2.138 178.159 176.000 0.036 0.000 0.984 321 Q CA 1.043 56.779 55.803 -0.110 0.000 0.846 321 Q CB -0.632 27.971 28.738 -0.225 0.000 0.902 321 Q HN 0.560 nan 8.270 nan 0.000 0.421 322 W N 1.354 122.557 121.300 -0.162 0.000 2.358 322 W HA -0.103 4.556 4.660 -0.001 0.000 0.303 322 W C 2.100 178.516 176.519 -0.173 0.000 1.208 322 W CA 0.792 58.042 57.345 -0.159 0.000 1.274 322 W CB -0.682 28.657 29.460 -0.201 0.000 1.138 322 W HN 0.220 nan 8.180 nan 0.000 0.515 323 K N 0.087 120.461 120.400 -0.043 0.000 2.155 323 K HA -0.119 4.200 4.320 -0.001 0.000 0.203 323 K C 1.960 178.405 176.600 -0.258 0.000 1.052 323 K CA 1.116 57.224 56.287 -0.298 0.000 0.948 323 K CB -0.154 31.856 32.500 -0.816 0.000 0.728 323 K HN 0.060 nan 8.250 nan 0.000 0.448 324 K N 0.970 121.304 120.400 -0.111 0.000 2.001 324 K HA -0.139 4.180 4.320 -0.001 0.000 0.208 324 K C 2.097 178.773 176.600 0.128 0.000 1.048 324 K CA 1.201 57.553 56.287 0.109 0.000 0.932 324 K CB -0.016 32.569 32.500 0.141 0.000 0.715 324 K HN -0.006 nan 8.250 nan 0.000 0.437 325 K N 0.938 121.420 120.400 0.137 0.000 2.044 325 K HA -0.177 4.143 4.320 -0.001 0.000 0.210 325 K C 2.069 178.790 176.600 0.203 0.000 1.049 325 K CA 1.486 57.879 56.287 0.177 0.000 0.927 325 K CB -0.177 32.441 32.500 0.197 0.000 0.713 325 K HN 0.158 nan 8.250 nan 0.000 0.443 326 A N 1.236 124.158 122.820 0.170 0.000 2.024 326 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 326 A C 1.755 179.513 177.584 0.290 0.000 1.164 326 A CA 1.556 53.730 52.037 0.229 0.000 0.643 326 A CB -0.409 18.685 19.000 0.156 0.000 0.806 326 A HN 0.355 nan 8.150 nan 0.000 0.451 327 E N -0.045 120.303 120.200 0.246 0.000 2.265 327 E HA -0.097 4.252 4.350 -0.001 0.000 0.196 327 E C 1.694 178.431 176.600 0.228 0.000 0.996 327 E CA 0.670 57.226 56.400 0.259 0.000 0.832 327 E CB -0.252 29.626 29.700 0.296 0.000 0.756 327 E HN 0.733 nan 8.360 nan 0.000 0.491 328 L N -0.547 120.774 121.223 0.164 0.000 2.492 328 L HA 0.008 4.347 4.340 -0.001 0.000 0.223 328 L C 0.285 176.972 176.870 -0.305 0.000 1.132 328 L CA 0.338 55.148 54.840 -0.050 0.000 0.850 328 L CB -0.088 41.827 42.059 -0.240 0.000 0.966 328 L HN 0.010 nan 8.230 nan 0.000 0.454 329 Y N -1.684 118.701 120.300 0.142 0.000 2.630 329 Y HA 0.378 4.928 4.550 -0.001 0.000 0.337 329 Y C 1.192 177.214 175.900 0.204 0.000 1.051 329 Y CA -0.968 57.238 58.100 0.177 0.000 1.121 329 Y CB 1.107 39.682 38.460 0.191 0.000 1.299 329 Y HN -0.292 nan 8.280 nan 0.000 0.498 330 R N -0.526 120.221 120.500 0.413 0.000 2.254 330 R HA 0.083 4.422 4.340 -0.001 0.000 0.195 330 R C 0.293 176.731 176.300 0.229 0.000 0.957 330 R CA 0.816 57.069 56.100 0.255 0.000 1.024 330 R CB 0.255 30.643 30.300 0.146 0.000 0.952 330 R HN 0.791 nan 8.270 nan 0.000 0.484 331 T N -1.037 113.695 114.554 0.296 0.000 2.922 331 T HA 0.110 4.460 4.350 -0.001 0.000 0.281 331 T C 0.591 175.442 174.700 0.252 0.000 1.005 331 T CA -0.940 61.301 62.100 0.235 0.000 0.982 331 T CB 1.234 70.220 68.868 0.196 0.000 1.158 331 T HN 0.068 nan 8.240 nan 0.000 0.566 332 N N -0.027 118.792 118.700 0.199 0.000 2.295 332 N HA 0.135 4.874 4.740 -0.001 0.000 0.221 332 N C -0.696 174.801 175.510 -0.023 0.000 1.129 332 N CA -0.358 52.770 53.050 0.130 0.000 0.836 332 N CB -0.125 38.353 38.487 -0.014 0.000 1.040 332 N HN 0.383 nan 8.380 nan 0.000 0.494 333 V N 1.242 121.178 119.914 0.036 0.000 2.448 333 V HA 0.423 4.542 4.120 -0.001 0.000 0.295 333 V C -0.658 175.524 176.094 0.146 0.000 1.025 333 V CA -0.971 61.353 62.300 0.040 0.000 0.859 333 V CB 1.613 33.432 31.823 -0.007 0.000 0.988 333 V HN 0.152 nan 8.190 nan 0.000 0.431 334 L N 5.700 126.963 121.223 0.067 0.000 2.333 334 L HA 0.669 5.008 4.340 -0.001 0.000 0.280 334 L C -0.834 175.914 176.870 -0.204 0.000 1.004 334 L CA -0.462 54.325 54.840 -0.088 0.000 0.820 334 L CB 1.609 43.507 42.059 -0.269 0.000 1.247 334 L HN 0.643 nan 8.230 nan 0.000 0.416 335 L N 6.473 127.365 121.223 -0.553 0.000 2.265 335 L HA 0.549 4.888 4.340 -0.001 0.000 0.288 335 L C -0.987 175.587 176.870 -0.493 0.000 1.058 335 L CA 0.149 54.483 54.840 -0.843 0.000 0.809 335 L CB 0.753 41.840 42.059 -1.621 0.000 1.179 335 L HN 0.427 nan 8.230 nan 0.000 0.429 336 I N 7.586 127.947 120.570 -0.348 0.000 2.502 336 I HA 0.347 4.517 4.170 -0.001 0.000 0.276 336 I C -2.236 173.851 176.117 -0.051 0.000 1.057 336 I CA -2.334 58.853 61.300 -0.188 0.000 1.163 336 I CB 0.795 38.643 38.000 -0.254 0.000 1.288 336 I HN 0.421 nan 8.210 nan 0.000 0.479 337 P HA 0.133 nan 4.420 nan 0.000 0.267 337 P C -0.407 177.055 177.300 0.269 0.000 1.200 337 P CA -0.225 63.004 63.100 0.216 0.000 0.772 337 P CB 0.864 32.752 31.700 0.314 0.000 0.855 338 L N 2.677 124.086 121.223 0.310 0.000 2.454 338 L HA 0.757 5.096 4.340 -0.001 0.000 0.258 338 L C -0.055 176.850 176.870 0.058 0.000 1.025 338 L CA 0.409 55.358 54.840 0.182 0.000 0.901 338 L CB 0.513 42.620 42.059 0.080 0.000 1.210 338 L HN 0.640 nan 8.230 nan 0.000 0.457 339 G N 1.876 110.607 108.800 -0.115 0.000 2.322 339 G HA2 0.451 4.411 3.960 -0.001 0.000 0.295 339 G HA3 0.451 4.411 3.960 -0.001 0.000 0.295 339 G C -2.222 172.581 174.900 -0.162 0.000 1.369 339 G CA -0.229 44.599 45.100 -0.454 0.000 0.821 339 G HN 0.435 nan 8.290 nan 0.000 0.536 340 D N -1.658 118.720 120.400 -0.036 0.000 2.879 340 D HA 0.325 4.965 4.640 -0.001 0.000 0.346 340 D C -1.462 174.981 176.300 0.238 0.000 1.390 340 D CA -0.444 53.714 54.000 0.263 0.000 0.838 340 D CB 1.236 42.135 40.800 0.166 0.000 1.416 340 D HN 0.255 nan 8.370 nan 0.000 0.493 341 D N 0.393 120.984 120.400 0.318 0.000 2.450 341 D HA 0.203 4.843 4.640 -0.001 0.000 0.247 341 D C 0.169 176.617 176.300 0.248 0.000 1.162 341 D CA 0.548 54.707 54.000 0.265 0.000 0.879 341 D CB -0.324 40.727 40.800 0.418 0.000 1.163 341 D HN 0.333 nan 8.370 nan 0.000 0.472 342 F N 0.203 120.209 119.950 0.094 0.000 3.048 342 F HA -0.309 4.217 4.527 -0.001 0.000 0.269 342 F C 1.091 176.928 175.800 0.062 0.000 0.960 342 F CA 0.588 58.624 58.000 0.059 0.000 0.909 342 F CB -0.978 38.044 39.000 0.036 0.000 0.837 342 F HN 0.242 nan 8.300 nan 0.000 0.768 343 R N -0.464 120.124 120.500 0.146 0.000 2.652 343 R HA 0.457 4.797 4.340 -0.001 0.000 0.271 343 R C 0.713 177.044 176.300 0.051 0.000 1.129 343 R CA -0.732 55.348 56.100 -0.034 0.000 1.200 343 R CB -0.093 30.090 30.300 -0.195 0.000 1.146 343 R HN 0.209 nan 8.270 nan 0.000 0.581 344 F N -0.763 118.988 119.950 -0.332 0.000 3.040 344 F HA -0.282 4.244 4.527 -0.001 0.000 0.298 344 F C 1.319 177.024 175.800 -0.159 0.000 0.948 344 F CA 1.011 58.593 58.000 -0.697 0.000 1.022 344 F CB -1.050 37.169 39.000 -1.302 0.000 1.023 344 F HN 0.601 nan 8.300 nan 0.000 0.742 345 K N -0.022 120.403 120.400 0.041 0.000 2.102 345 K HA 0.071 4.390 4.320 -0.001 0.000 0.208 345 K C 0.641 177.377 176.600 0.226 0.000 1.027 345 K CA 0.536 56.934 56.287 0.185 0.000 0.958 345 K CB 0.166 32.751 32.500 0.141 0.000 0.819 345 K HN 0.248 nan 8.250 nan 0.000 0.453 346 Q N 1.683 121.576 119.800 0.156 0.000 2.352 346 Q HA 0.067 4.406 4.340 -0.001 0.000 0.260 346 Q C 0.582 176.757 176.000 0.292 0.000 0.976 346 Q CA -0.073 55.856 55.803 0.210 0.000 0.881 346 Q CB 0.939 29.850 28.738 0.289 0.000 1.235 346 Q HN 0.259 nan 8.270 nan 0.000 0.419 347 N N 0.825 119.679 118.700 0.257 0.000 2.094 347 N HA -0.185 4.554 4.740 -0.001 0.000 0.191 347 N C 1.450 177.119 175.510 0.264 0.000 1.023 347 N CA 2.021 55.227 53.050 0.260 0.000 0.857 347 N CB -0.367 38.220 38.487 0.168 0.000 1.013 347 N HN 0.792 nan 8.380 nan 0.000 0.426 348 T N -1.318 113.385 114.554 0.247 0.000 2.881 348 T HA -0.110 4.240 4.350 -0.001 0.000 0.270 348 T C 1.706 176.586 174.700 0.299 0.000 1.068 348 T CA 1.179 63.443 62.100 0.272 0.000 1.131 348 T CB -0.084 68.939 68.868 0.258 0.000 0.871 348 T HN 0.346 nan 8.240 nan 0.000 0.479 349 E N -0.163 120.153 120.200 0.194 0.000 2.046 349 E HA -0.096 4.253 4.350 -0.001 0.000 0.190 349 E C 1.837 178.321 176.600 -0.193 0.000 0.982 349 E CA 0.738 57.017 56.400 -0.202 0.000 0.800 349 E CB -0.261 29.143 29.700 -0.492 0.000 0.756 349 E HN 0.695 nan 8.360 nan 0.000 0.449 350 W N 1.892 123.090 121.300 -0.171 0.000 2.317 350 W HA -0.228 4.431 4.660 -0.001 0.000 0.318 350 W C 2.172 178.532 176.519 -0.266 0.000 1.227 350 W CA 1.409 58.559 57.345 -0.325 0.000 1.269 350 W CB -0.398 28.563 29.460 -0.832 0.000 1.155 350 W HN 0.198 nan 8.180 nan 0.000 0.484 351 D N -0.483 120.013 120.400 0.160 0.000 2.104 351 D HA -0.186 4.453 4.640 -0.001 0.000 0.194 351 D C 2.262 178.654 176.300 0.152 0.000 0.994 351 D CA 1.636 55.781 54.000 0.241 0.000 0.830 351 D CB -1.022 39.920 40.800 0.237 0.000 0.959 351 D HN 0.038 nan 8.370 nan 0.000 0.452 352 V N 0.940 120.923 119.914 0.115 0.000 2.358 352 V HA -0.217 3.903 4.120 -0.001 0.000 0.246 352 V C 2.336 178.463 176.094 0.055 0.000 1.047 352 V CA 1.575 63.925 62.300 0.083 0.000 1.035 352 V CB -0.111 31.805 31.823 0.156 0.000 0.658 352 V HN 0.155 nan 8.190 nan 0.000 0.452 353 Q N -0.311 119.551 119.800 0.103 0.000 2.046 353 Q HA -0.220 4.119 4.340 -0.001 0.000 0.200 353 Q C 2.345 178.547 176.000 0.336 0.000 0.975 353 Q CA 2.082 58.045 55.803 0.267 0.000 0.836 353 Q CB -0.499 28.345 28.738 0.176 0.000 0.896 353 Q HN 0.618 nan 8.270 nan 0.000 0.428 354 R N 0.363 121.026 120.500 0.271 0.000 2.075 354 R HA -0.073 4.266 4.340 -0.001 0.000 0.232 354 R C 2.215 178.693 176.300 0.296 0.000 1.126 354 R CA 1.100 57.414 56.100 0.357 0.000 0.963 354 R CB 0.046 30.553 30.300 0.345 0.000 0.858 354 R HN 0.056 nan 8.270 nan 0.000 0.435 355 V N 1.878 121.881 119.914 0.148 0.000 2.379 355 V HA -0.198 3.921 4.120 -0.001 0.000 0.245 355 V C 1.939 177.972 176.094 -0.101 0.000 1.044 355 V CA 1.694 64.025 62.300 0.053 0.000 1.036 355 V CB -0.580 31.262 31.823 0.032 0.000 0.664 355 V HN 0.420 nan 8.190 nan 0.000 0.453 356 N N -0.454 118.074 118.700 -0.287 0.000 2.084 356 N HA -0.188 4.552 4.740 -0.001 0.000 0.190 356 N C 1.859 177.030 175.510 -0.565 0.000 1.030 356 N CA 1.744 54.392 53.050 -0.671 0.000 0.849 356 N CB -0.361 37.095 38.487 -1.718 0.000 1.012 356 N HN 0.503 nan 8.380 nan 0.000 0.423 357 Y N 1.975 122.079 120.300 -0.326 0.000 2.181 357 Y HA -0.096 4.453 4.550 -0.001 0.000 0.288 357 Y C 2.395 177.765 175.900 -0.883 0.000 1.146 357 Y CA 1.116 58.904 58.100 -0.519 0.000 1.164 357 Y CB -0.186 38.103 38.460 -0.285 0.000 0.982 357 Y HN 0.149 nan 8.280 nan 0.000 0.515 358 E N -0.272 119.777 120.200 -0.252 0.000 2.118 358 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 358 E C 2.219 178.762 176.600 -0.095 0.000 0.992 358 E CA 1.183 57.518 56.400 -0.109 0.000 0.804 358 E CB -0.159 29.612 29.700 0.118 0.000 0.741 358 E HN 0.477 nan 8.360 nan 0.000 0.458 359 R N 0.407 120.830 120.500 -0.127 0.000 2.081 359 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 359 R C 2.494 178.758 176.300 -0.059 0.000 1.131 359 R CA 1.019 57.071 56.100 -0.079 0.000 0.960 359 R CB -0.375 29.858 30.300 -0.112 0.000 0.856 359 R HN 0.170 nan 8.270 nan 0.000 0.436 360 L N -0.323 120.797 121.223 -0.172 0.000 2.017 360 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 360 L C 2.242 179.160 176.870 0.079 0.000 1.073 360 L CA 1.131 55.913 54.840 -0.097 0.000 0.745 360 L CB -0.440 41.481 42.059 -0.229 0.000 0.894 360 L HN 0.067 nan 8.230 nan 0.000 0.432 361 F N 0.355 120.317 119.950 0.021 0.000 2.102 361 F HA -0.225 4.302 4.527 -0.001 0.000 0.298 361 F C 2.664 178.467 175.800 0.004 0.000 1.105 361 F CA 1.368 59.366 58.000 -0.004 0.000 1.239 361 F CB -1.025 37.930 39.000 -0.075 0.000 0.991 361 F HN 0.213 nan 8.300 nan 0.000 0.474 362 E N -0.712 119.618 120.200 0.218 0.000 2.058 362 E HA -0.307 4.042 4.350 -0.001 0.000 0.194 362 E C 2.228 178.916 176.600 0.145 0.000 0.997 362 E CA 1.646 58.134 56.400 0.146 0.000 0.801 362 E CB -0.266 29.503 29.700 0.114 0.000 0.746 362 E HN 0.505 nan 8.360 nan 0.000 0.450 363 H N 0.126 119.241 119.070 0.075 0.000 2.326 363 H HA -0.037 4.519 4.556 -0.001 0.000 0.301 363 H C 2.051 177.457 175.328 0.129 0.000 1.081 363 H CA 2.057 58.160 56.048 0.091 0.000 1.334 363 H CB -0.169 29.643 29.762 0.083 0.000 1.385 363 H HN 0.151 nan 8.280 nan 0.000 0.504 364 I N 0.438 121.057 120.570 0.081 0.000 2.179 364 I HA -0.294 3.876 4.170 -0.001 0.000 0.242 364 I C 1.756 177.884 176.117 0.020 0.000 1.088 364 I CA 1.364 62.657 61.300 -0.012 0.000 1.357 364 I CB -0.301 37.635 38.000 -0.107 0.000 1.051 364 I HN 0.351 nan 8.210 nan 0.000 0.409 365 N N 0.324 119.033 118.700 0.015 0.000 2.381 365 N HA -0.126 4.613 4.740 -0.001 0.000 0.182 365 N C 1.854 177.344 175.510 -0.034 0.000 1.025 365 N CA 1.577 54.613 53.050 -0.023 0.000 0.888 365 N CB -0.306 38.160 38.487 -0.036 0.000 0.965 365 N HN 0.415 nan 8.380 nan 0.000 0.438 366 S N -0.915 114.762 115.700 -0.039 0.000 2.535 366 S HA 0.133 4.602 4.470 -0.001 0.000 0.214 366 S C 0.483 175.028 174.600 -0.092 0.000 0.980 366 S CA -0.200 57.971 58.200 -0.049 0.000 0.907 366 S CB 0.285 63.472 63.200 -0.021 0.000 0.790 366 S HN -0.032 nan 8.310 nan 0.000 0.510 367 Q N 1.343 121.056 119.800 -0.145 0.000 2.465 367 Q HA 0.549 4.888 4.340 -0.001 0.000 0.237 367 Q C 0.863 176.696 176.000 -0.278 0.000 1.051 367 Q CA 0.108 55.763 55.803 -0.246 0.000 0.874 367 Q CB 1.179 29.642 28.738 -0.458 0.000 1.207 367 Q HN 0.442 nan 8.270 nan 0.000 0.508 368 A N 2.629 125.356 122.820 -0.156 0.000 2.024 368 A HA -0.244 4.075 4.320 -0.001 0.000 0.220 368 A C 1.563 179.078 177.584 -0.116 0.000 1.164 368 A CA 1.985 53.963 52.037 -0.099 0.000 0.643 368 A CB -0.649 18.324 19.000 -0.044 0.000 0.806 368 A HN 0.868 nan 8.150 nan 0.000 0.451 369 H N -3.441 115.545 119.070 -0.140 0.000 2.489 369 H HA 0.014 4.569 4.556 -0.001 0.000 0.293 369 H C 1.294 176.555 175.328 -0.112 0.000 1.066 369 H CA 1.377 57.332 56.048 -0.156 0.000 1.305 369 H CB -0.575 29.041 29.762 -0.242 0.000 1.386 369 H HN 0.413 nan 8.280 nan 0.000 0.551 370 F N 1.033 120.730 119.950 -0.422 0.000 2.367 370 F HA 0.028 4.554 4.527 -0.001 0.000 0.298 370 F C 0.693 176.458 175.800 -0.059 0.000 1.094 370 F CA 0.541 58.430 58.000 -0.185 0.000 1.409 370 F CB -0.299 38.556 39.000 -0.241 0.000 1.064 370 F HN 0.161 nan 8.300 nan 0.000 0.528 371 N N 0.795 119.552 118.700 0.096 0.000 2.705 371 N HA -0.169 4.570 4.740 -0.001 0.000 0.255 371 N C -1.029 174.476 175.510 -0.008 0.000 1.008 371 N CA 0.438 53.522 53.050 0.057 0.000 0.742 371 N CB -1.443 37.118 38.487 0.124 0.000 0.906 371 N HN 0.042 nan 8.380 nan 0.000 0.541 372 V N 0.605 120.504 119.914 -0.026 0.000 2.789 372 V HA 0.399 4.518 4.120 -0.001 0.000 0.311 372 V C 0.048 176.059 176.094 -0.138 0.000 1.073 372 V CA -0.696 61.536 62.300 -0.115 0.000 0.921 372 V CB 2.507 34.295 31.823 -0.058 0.000 1.009 372 V HN 0.233 nan 8.190 nan 0.000 0.426 373 Q N 3.067 122.729 119.800 -0.230 0.000 2.363 373 Q HA 0.759 5.099 4.340 -0.001 0.000 0.265 373 Q C -0.822 174.922 176.000 -0.426 0.000 1.032 373 Q CA -0.129 55.513 55.803 -0.267 0.000 0.746 373 Q CB 1.612 30.199 28.738 -0.252 0.000 1.237 373 Q HN 1.009 nan 8.270 nan 0.000 0.475 374 A N 4.314 126.864 122.820 -0.450 0.000 2.337 374 A HA 0.904 5.224 4.320 -0.001 0.000 0.329 374 A C -1.153 175.740 177.584 -1.152 0.000 1.146 374 A CA -0.502 51.094 52.037 -0.735 0.000 0.800 374 A CB 1.151 19.901 19.000 -0.416 0.000 1.220 374 A HN 0.774 nan 8.150 nan 0.000 0.472 375 Q N 1.162 120.172 119.800 -1.318 0.000 2.522 375 Q HA 0.441 4.780 4.340 -0.001 0.000 0.285 375 Q C -1.644 173.884 176.000 -0.786 0.000 0.982 375 Q CA -0.703 54.357 55.803 -1.237 0.000 0.805 375 Q CB 0.509 28.887 28.738 -0.601 0.000 1.457 375 Q HN 0.379 nan 8.270 nan 0.000 0.394 376 F N 0.627 120.469 119.950 -0.181 0.000 2.563 376 F HA 0.581 5.107 4.527 -0.001 0.000 0.363 376 F C 1.269 177.102 175.800 0.054 0.000 1.123 376 F CA 1.536 59.571 58.000 0.058 0.000 1.307 376 F CB 0.720 39.819 39.000 0.163 0.000 1.115 376 F HN 0.744 nan 8.300 nan 0.000 0.592 377 G N 0.269 109.247 108.800 0.296 0.000 2.682 377 G HA2 0.596 4.555 3.960 -0.001 0.000 0.290 377 G HA3 0.596 4.555 3.960 -0.001 0.000 0.290 377 G C -1.061 173.869 174.900 0.050 0.000 1.425 377 G CA -0.655 44.591 45.100 0.243 0.000 0.807 377 G HN 0.723 nan 8.290 nan 0.000 0.482 378 T N -1.669 112.843 114.554 -0.070 0.000 2.923 378 T HA 0.464 4.814 4.350 -0.001 0.000 0.281 378 T C 1.342 175.908 174.700 -0.223 0.000 0.995 378 T CA -0.463 61.545 62.100 -0.152 0.000 0.985 378 T CB 1.486 70.271 68.868 -0.137 0.000 1.114 378 T HN 0.540 nan 8.240 nan 0.000 0.548 379 L N 0.527 121.614 121.223 -0.228 0.000 2.017 379 L HA 0.023 4.362 4.340 -0.001 0.000 0.208 379 L C 2.798 179.632 176.870 -0.061 0.000 1.073 379 L CA 1.963 56.695 54.840 -0.181 0.000 0.745 379 L CB -1.171 40.831 42.059 -0.094 0.000 0.894 379 L HN 0.890 nan 8.230 nan 0.000 0.432 380 Q N -0.005 119.789 119.800 -0.010 0.000 2.135 380 Q HA -0.241 4.098 4.340 -0.001 0.000 0.204 380 Q C 2.096 178.030 176.000 -0.109 0.000 0.981 380 Q CA 2.069 57.892 55.803 0.033 0.000 0.856 380 Q CB -0.194 28.541 28.738 -0.004 0.000 0.902 380 Q HN 0.634 nan 8.270 nan 0.000 0.425 381 E N -1.279 118.772 120.200 -0.249 0.000 2.077 381 E HA -0.223 4.127 4.350 -0.001 0.000 0.193 381 E C 1.674 177.802 176.600 -0.786 0.000 0.989 381 E CA 1.135 57.259 56.400 -0.459 0.000 0.800 381 E CB -0.294 29.090 29.700 -0.528 0.000 0.746 381 E HN 0.472 nan 8.360 nan 0.000 0.452 382 Y N 0.725 120.466 120.300 -0.932 0.000 2.070 382 Y HA -0.291 4.258 4.550 -0.001 0.000 0.280 382 Y C 1.932 177.491 175.900 -0.569 0.000 1.148 382 Y CA 1.702 59.261 58.100 -0.902 0.000 1.125 382 Y CB -0.574 37.398 38.460 -0.813 0.000 0.975 382 Y HN -0.063 nan 8.280 nan 0.000 0.492 383 F N 1.044 120.719 119.950 -0.459 0.000 2.126 383 F HA -0.225 4.301 4.527 -0.001 0.000 0.299 383 F C 2.288 177.828 175.800 -0.432 0.000 1.096 383 F CA 1.859 59.564 58.000 -0.493 0.000 1.255 383 F CB -1.020 37.892 39.000 -0.147 0.000 0.997 383 F HN 0.126 nan 8.300 nan 0.000 0.479 384 D N -0.023 120.311 120.400 -0.110 0.000 2.123 384 D HA -0.179 4.460 4.640 -0.001 0.000 0.196 384 D C 2.347 178.552 176.300 -0.158 0.000 0.992 384 D CA 1.580 55.524 54.000 -0.093 0.000 0.833 384 D CB -0.629 40.111 40.800 -0.101 0.000 0.954 384 D HN 0.249 nan 8.370 nan 0.000 0.455 385 A N 0.402 123.060 122.820 -0.270 0.000 1.898 385 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 385 A C 2.537 179.980 177.584 -0.234 0.000 1.181 385 A CA 1.029 52.952 52.037 -0.191 0.000 0.620 385 A CB -0.684 18.260 19.000 -0.093 0.000 0.819 385 A HN 0.132 nan 8.150 nan 0.000 0.442 386 V N 0.095 119.729 119.914 -0.466 0.000 2.282 386 V HA -0.301 3.818 4.120 -0.001 0.000 0.249 386 V C 2.462 178.358 176.094 -0.330 0.000 1.057 386 V CA 2.263 64.287 62.300 -0.460 0.000 1.032 386 V CB -1.099 30.256 31.823 -0.780 0.000 0.645 386 V HN 0.656 nan 8.190 nan 0.000 0.447 387 H N -0.176 118.764 119.070 -0.216 0.000 2.423 387 H HA -0.103 4.453 4.556 -0.001 0.000 0.297 387 H C 2.440 177.729 175.328 -0.064 0.000 1.075 387 H CA 1.526 57.485 56.048 -0.148 0.000 1.342 387 H CB -0.175 29.460 29.762 -0.211 0.000 1.395 387 H HN 0.562 nan 8.280 nan 0.000 0.530 388 Q N 0.305 120.119 119.800 0.023 0.000 2.096 388 Q HA -0.091 4.249 4.340 -0.001 0.000 0.204 388 Q C 2.570 178.586 176.000 0.028 0.000 0.982 388 Q CA 1.434 57.248 55.803 0.018 0.000 0.850 388 Q CB -0.046 28.690 28.738 -0.002 0.000 0.901 388 Q HN 0.418 nan 8.270 nan 0.000 0.422 389 A N 1.020 123.852 122.820 0.020 0.000 1.877 389 A HA -0.268 4.052 4.320 -0.001 0.000 0.216 389 A C 1.950 179.569 177.584 0.058 0.000 1.186 389 A CA 1.611 53.676 52.037 0.046 0.000 0.620 389 A CB -0.590 18.442 19.000 0.052 0.000 0.822 389 A HN 0.442 nan 8.150 nan 0.000 0.443 390 E N -0.271 119.982 120.200 0.089 0.000 2.070 390 E HA -0.250 4.100 4.350 -0.001 0.000 0.197 390 E C 2.290 178.933 176.600 0.072 0.000 1.004 390 E CA 1.391 57.856 56.400 0.108 0.000 0.805 390 E CB -0.137 29.735 29.700 0.287 0.000 0.744 390 E HN 0.579 nan 8.360 nan 0.000 0.451 391 R N -0.287 120.257 120.500 0.073 0.000 2.096 391 R HA -0.070 4.269 4.340 -0.001 0.000 0.235 391 R C 2.176 178.496 176.300 0.033 0.000 1.127 391 R CA 0.951 57.079 56.100 0.047 0.000 0.968 391 R CB -0.236 30.086 30.300 0.037 0.000 0.861 391 R HN 0.137 nan 8.270 nan 0.000 0.440 392 A N 0.301 123.142 122.820 0.035 0.000 2.255 392 A HA 0.122 4.441 4.320 -0.001 0.000 0.206 392 A C 1.328 178.927 177.584 0.025 0.000 1.193 392 A CA 0.870 52.926 52.037 0.031 0.000 0.794 392 A CB -0.452 18.573 19.000 0.042 0.000 0.794 392 A HN 0.499 nan 8.150 nan 0.000 0.481 393 G N -1.099 107.712 108.800 0.018 0.000 2.143 393 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.248 393 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.248 393 G C 0.768 175.664 174.900 -0.006 0.000 0.991 393 G CA 0.675 45.776 45.100 0.003 0.000 0.689 393 G HN 0.627 nan 8.290 nan 0.000 0.522 394 Q N -0.524 119.280 119.800 0.006 0.000 2.311 394 Q HA 0.504 4.843 4.340 -0.001 0.000 0.203 394 Q C 1.078 177.058 176.000 -0.032 0.000 0.954 394 Q CA 1.457 57.268 55.803 0.014 0.000 0.885 394 Q CB 0.027 28.810 28.738 0.074 0.000 0.963 394 Q HN 1.356 nan 8.270 nan 0.000 0.471 395 A N 0.758 123.514 122.820 -0.108 0.000 2.604 395 A HA 0.501 4.821 4.320 -0.001 0.000 0.295 395 A C -1.643 175.723 177.584 -0.363 0.000 1.067 395 A CA -0.884 50.993 52.037 -0.266 0.000 0.683 395 A CB 1.340 20.093 19.000 -0.412 0.000 1.281 395 A HN 0.312 nan 8.150 nan 0.000 0.407 396 E N 0.478 120.452 120.200 -0.377 0.000 2.288 396 E HA 0.761 5.111 4.350 -0.001 0.000 0.268 396 E C -1.617 174.778 176.600 -0.341 0.000 0.885 396 E CA -0.617 55.603 56.400 -0.300 0.000 0.767 396 E CB 1.717 31.370 29.700 -0.079 0.000 1.220 396 E HN 0.325 nan 8.360 nan 0.000 0.427 397 F N 1.778 121.833 119.950 0.175 0.000 2.425 397 F HA 0.424 4.951 4.527 -0.000 0.000 0.331 397 F C -1.834 174.064 175.800 0.164 0.000 1.085 397 F CA -2.358 55.767 58.000 0.209 0.000 1.028 397 F CB 1.068 40.270 39.000 0.337 0.000 1.177 397 F HN 0.371 nan 8.300 nan 0.000 0.487 398 P HA 0.154 nan 4.420 nan 0.000 0.274 398 P C -0.628 176.811 177.300 0.232 0.000 1.231 398 P CA -0.363 62.866 63.100 0.214 0.000 0.790 398 P CB 0.850 32.644 31.700 0.157 0.000 0.951 399 T N -0.121 114.521 114.554 0.146 0.000 2.909 399 T HA 0.647 4.996 4.350 -0.001 0.000 0.286 399 T C -0.238 174.488 174.700 0.042 0.000 1.002 399 T CA -0.766 61.409 62.100 0.125 0.000 1.074 399 T CB 0.912 69.834 68.868 0.089 0.000 0.984 399 T HN 0.465 nan 8.240 nan 0.000 0.495 400 L N 1.978 123.221 121.223 0.034 0.000 2.472 400 L HA 0.707 5.046 4.340 -0.001 0.000 0.260 400 L C -0.680 176.170 176.870 -0.034 0.000 0.963 400 L CA -0.406 54.343 54.840 -0.152 0.000 0.829 400 L CB 2.173 43.878 42.059 -0.591 0.000 1.348 400 L HN 1.109 nan 8.230 nan 0.000 0.408 401 S N 2.429 118.069 115.700 -0.099 0.000 2.632 401 S HA 1.062 5.532 4.470 -0.001 0.000 0.289 401 S C -0.274 174.253 174.600 -0.122 0.000 1.115 401 S CA -0.075 58.129 58.200 0.007 0.000 0.889 401 S CB 2.006 65.177 63.200 -0.048 0.000 1.116 401 S HN 1.709 nan 8.310 nan 0.000 0.486 402 G N 0.796 109.584 108.800 -0.021 0.000 2.362 402 G HA2 0.318 4.277 3.960 -0.001 0.000 0.517 402 G HA3 0.318 4.277 3.960 -0.001 0.000 0.517 402 G C -1.780 173.031 174.900 -0.148 0.000 1.256 402 G CA -0.001 44.990 45.100 -0.182 0.000 1.027 402 G HN 1.349 nan 8.290 nan 0.000 0.491 403 D N -1.742 118.422 120.400 -0.393 0.000 2.614 403 D HA 0.737 5.377 4.640 -0.001 0.000 0.264 403 D C -0.688 175.112 176.300 -0.832 0.000 1.092 403 D CA -1.041 52.758 54.000 -0.335 0.000 1.071 403 D CB 1.122 41.918 40.800 -0.006 0.000 1.443 403 D HN 0.396 nan 8.370 nan 0.000 0.528 404 F N -0.286 119.542 119.950 -0.204 0.000 2.831 404 F HA 0.401 4.927 4.527 -0.001 0.000 0.355 404 F C -0.893 174.730 175.800 -0.295 0.000 1.341 404 F CA -0.635 57.243 58.000 -0.203 0.000 1.201 404 F CB 0.133 39.050 39.000 -0.138 0.000 1.058 404 F HN 0.002 nan 8.300 nan 0.000 0.514 405 F N -0.657 119.483 119.950 0.318 0.000 2.546 405 F HA 0.579 5.106 4.527 -0.001 0.000 0.320 405 F C 0.546 176.599 175.800 0.422 0.000 1.076 405 F CA -1.352 56.899 58.000 0.418 0.000 0.928 405 F CB 1.713 40.951 39.000 0.396 0.000 1.189 405 F HN -0.284 nan 8.300 nan 0.000 0.465 406 T N 1.897 116.817 114.554 0.609 0.000 2.829 406 T HA 0.201 4.551 4.350 -0.001 0.000 0.282 406 T C -1.071 174.093 174.700 0.773 0.000 0.990 406 T CA -0.290 62.248 62.100 0.730 0.000 1.028 406 T CB 0.362 69.514 68.868 0.473 0.000 0.951 406 T HN 0.382 nan 8.240 nan 0.000 0.460 407 Y N 2.896 123.535 120.300 0.566 0.000 2.511 407 Y HA 0.435 4.984 4.550 -0.001 0.000 0.332 407 Y C -0.152 175.811 175.900 0.104 0.000 1.177 407 Y CA -0.998 57.265 58.100 0.272 0.000 1.422 407 Y CB 0.149 38.650 38.460 0.068 0.000 1.271 407 Y HN 0.672 nan 8.280 nan 0.000 0.550 408 A N 5.195 127.573 122.820 -0.737 0.000 2.356 408 A HA 0.352 4.672 4.320 -0.001 0.000 0.310 408 A C 0.016 176.967 177.584 -1.054 0.000 1.075 408 A CA -0.275 51.176 52.037 -0.976 0.000 0.746 408 A CB 0.661 18.848 19.000 -1.354 0.000 1.221 408 A HN 0.819 nan 8.150 nan 0.000 0.443 409 D N 1.621 121.529 120.400 -0.819 0.000 2.305 409 D HA 0.033 4.673 4.640 -0.001 0.000 0.206 409 D C 0.534 176.821 176.300 -0.022 0.000 0.974 409 D CA 0.599 54.377 54.000 -0.369 0.000 0.871 409 D CB 0.152 40.848 40.800 -0.173 0.000 0.947 409 D HN 0.723 nan 8.370 nan 0.000 0.516 410 R N -2.317 118.110 120.500 -0.122 0.000 2.687 410 R HA 0.417 4.757 4.340 -0.001 0.000 0.265 410 R C -0.159 176.012 176.300 -0.214 0.000 1.048 410 R CA -0.250 55.635 56.100 -0.358 0.000 0.884 410 R CB 0.853 31.031 30.300 -0.203 0.000 1.258 410 R HN -0.111 nan 8.270 nan 0.000 0.469 411 S N 0.217 115.743 115.700 -0.291 0.000 3.927 411 S HA -0.291 4.178 4.470 -0.001 0.000 0.618 411 S C 0.390 175.069 174.600 0.133 0.000 2.201 411 S CA 1.964 60.155 58.200 -0.016 0.000 4.160 411 S CB -1.008 62.173 63.200 -0.031 0.000 0.266 411 S HN 1.081 nan 8.310 nan 0.000 0.760 412 D N 1.325 121.795 120.400 0.116 0.000 2.427 412 D HA 0.202 4.841 4.640 -0.001 0.000 0.224 412 D C -0.028 176.387 176.300 0.191 0.000 1.157 412 D CA -0.141 54.001 54.000 0.236 0.000 0.828 412 D CB -1.452 39.475 40.800 0.211 0.000 0.974 412 D HN 0.509 nan 8.370 nan 0.000 0.498 413 N N 0.912 119.620 118.700 0.013 0.000 2.739 413 N HA 0.061 4.800 4.740 -0.001 0.000 0.266 413 N C -0.919 174.617 175.510 0.043 0.000 1.168 413 N CA -0.331 52.737 53.050 0.030 0.000 1.055 413 N CB 0.145 38.639 38.487 0.012 0.000 1.393 413 N HN 0.133 nan 8.380 nan 0.000 0.514 414 Y N 0.136 120.533 120.300 0.160 0.000 2.304 414 Y HA 0.125 4.674 4.550 -0.001 0.000 0.328 414 Y C 0.088 176.198 175.900 0.351 0.000 1.123 414 Y CA -0.605 57.652 58.100 0.261 0.000 1.218 414 Y CB 0.632 39.190 38.460 0.164 0.000 1.207 414 Y HN 0.394 nan 8.280 nan 0.000 0.495 415 W N 2.275 123.719 121.300 0.240 0.000 1.705 415 W HA 0.259 4.918 4.660 -0.001 0.000 0.361 415 W C 0.763 177.315 176.519 0.054 0.000 0.690 415 W CA -0.742 56.768 57.345 0.274 0.000 1.989 415 W CB -0.313 29.422 29.460 0.459 0.000 1.903 415 W HN 0.546 nan 8.180 nan 0.000 0.364 416 S N -2.013 113.711 115.700 0.040 0.000 2.535 416 S HA 0.116 4.585 4.470 -0.001 0.000 0.214 416 S C 1.968 176.297 174.600 -0.450 0.000 0.980 416 S CA 0.366 58.228 58.200 -0.563 0.000 0.907 416 S CB 0.168 63.363 63.200 -0.008 0.000 0.790 416 S HN 0.347 nan 8.310 nan 0.000 0.510 417 G N 2.080 110.812 108.800 -0.112 0.000 2.418 417 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.217 417 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.217 417 G C 1.252 176.131 174.900 -0.034 0.000 1.158 417 G CA 0.928 45.985 45.100 -0.073 0.000 0.771 417 G HN 0.796 nan 8.290 nan 0.000 0.545 418 Y N -0.555 119.717 120.300 -0.046 0.000 2.632 418 Y HA 0.205 4.755 4.550 -0.001 0.000 0.301 418 Y C 1.711 177.747 175.900 0.227 0.000 1.172 418 Y CA -0.447 57.710 58.100 0.095 0.000 1.328 418 Y CB -0.307 38.287 38.460 0.224 0.000 1.016 418 Y HN 0.175 nan 8.280 nan 0.000 0.529 419 Y N 0.471 120.562 120.300 -0.347 0.000 2.571 419 Y HA 0.017 4.566 4.550 -0.001 0.000 0.294 419 Y C 1.645 177.492 175.900 -0.088 0.000 1.141 419 Y CA 0.514 58.437 58.100 -0.295 0.000 1.308 419 Y CB -0.549 37.781 38.460 -0.216 0.000 1.002 419 Y HN 0.307 nan 8.280 nan 0.000 0.551 420 T N -2.762 111.860 114.554 0.112 0.000 2.980 420 T HA 0.072 4.421 4.350 -0.001 0.000 0.252 420 T C 0.693 175.478 174.700 0.142 0.000 0.962 420 T CA -0.072 62.093 62.100 0.109 0.000 0.932 420 T CB -0.002 68.901 68.868 0.059 0.000 1.188 420 T HN -0.075 nan 8.240 nan 0.000 0.500 421 S N 2.578 118.359 115.700 0.136 0.000 2.573 421 S HA 0.153 4.622 4.470 -0.001 0.000 0.297 421 S C 0.401 175.135 174.600 0.223 0.000 1.280 421 S CA 0.058 58.351 58.200 0.156 0.000 1.061 421 S CB 0.041 63.317 63.200 0.128 0.000 0.812 421 S HN 0.410 nan 8.310 nan 0.000 0.500 422 R N 1.164 121.812 120.500 0.248 0.000 3.146 422 R HA -0.123 4.216 4.340 -0.001 0.000 0.250 422 R C -2.014 174.531 176.300 0.408 0.000 0.912 422 R CA 0.673 56.992 56.100 0.365 0.000 0.633 422 R CB -1.669 28.881 30.300 0.416 0.000 1.180 422 R HN 0.511 nan 8.270 nan 0.000 0.464 423 P HA -0.189 nan 4.420 nan 0.000 0.229 423 P C 1.070 178.581 177.300 0.351 0.000 1.160 423 P CA 0.825 64.138 63.100 0.354 0.000 0.777 423 P CB -0.003 31.949 31.700 0.420 0.000 0.814 424 Y N 1.530 121.921 120.300 0.151 0.000 2.165 424 Y HA -0.249 4.301 4.550 -0.001 0.000 0.286 424 Y C 2.238 178.116 175.900 -0.037 0.000 1.155 424 Y CA 2.044 60.155 58.100 0.019 0.000 1.164 424 Y CB -0.911 37.422 38.460 -0.212 0.000 0.978 424 Y HN 0.065 nan 8.280 nan 0.000 0.513 425 H N -0.922 118.391 119.070 0.406 0.000 2.470 425 H HA 0.023 4.578 4.556 -0.001 0.000 0.289 425 H C 2.047 177.525 175.328 0.251 0.000 1.033 425 H CA 1.197 57.406 56.048 0.269 0.000 1.331 425 H CB -0.027 29.983 29.762 0.412 0.000 1.414 425 H HN 0.237 nan 8.280 nan 0.000 0.545 426 K N 0.385 120.993 120.400 0.347 0.000 2.097 426 K HA -0.145 4.174 4.320 -0.001 0.000 0.206 426 K C 2.238 178.879 176.600 0.069 0.000 1.049 426 K CA 1.141 57.568 56.287 0.233 0.000 0.933 426 K CB 0.088 32.706 32.500 0.196 0.000 0.717 426 K HN 0.043 nan 8.250 nan 0.000 0.442 427 R N 1.385 121.889 120.500 0.006 0.000 2.075 427 R HA -0.006 4.334 4.340 -0.001 0.000 0.232 427 R C 2.089 178.093 176.300 -0.492 0.000 1.126 427 R CA 1.408 57.427 56.100 -0.135 0.000 0.963 427 R CB -0.420 29.894 30.300 0.022 0.000 0.858 427 R HN 0.125 nan 8.270 nan 0.000 0.435 428 M N 0.388 119.546 119.600 -0.738 0.000 2.149 428 M HA -0.218 4.261 4.480 -0.001 0.000 0.261 428 M C 1.454 177.399 176.300 -0.592 0.000 1.064 428 M CA 2.436 57.076 55.300 -1.101 0.000 1.102 428 M CB -0.359 31.797 32.600 -0.739 0.000 1.369 428 M HN 0.296 nan 8.290 nan 0.000 0.408 429 D N -0.282 119.975 120.400 -0.238 0.000 2.133 429 D HA -0.231 4.408 4.640 -0.001 0.000 0.192 429 D C 1.891 178.110 176.300 -0.134 0.000 1.001 429 D CA 1.591 55.560 54.000 -0.052 0.000 0.844 429 D CB 0.117 41.032 40.800 0.192 0.000 0.944 429 D HN 0.246 nan 8.370 nan 0.000 0.447 430 R N -0.037 120.361 120.500 -0.170 0.000 2.090 430 R HA 0.005 4.344 4.340 -0.001 0.000 0.228 430 R C 2.458 178.652 176.300 -0.176 0.000 1.110 430 R CA 0.437 56.447 56.100 -0.149 0.000 0.973 430 R CB -0.911 29.318 30.300 -0.118 0.000 0.869 430 R HN 0.259 nan 8.270 nan 0.000 0.440 431 V N 1.662 121.378 119.914 -0.331 0.000 2.261 431 V HA -0.224 3.895 4.120 -0.001 0.000 0.246 431 V C 2.378 178.359 176.094 -0.188 0.000 1.047 431 V CA 1.612 63.717 62.300 -0.325 0.000 1.015 431 V CB -0.609 30.724 31.823 -0.816 0.000 0.642 431 V HN 0.139 nan 8.190 nan 0.000 0.446 432 L N -0.416 120.614 121.223 -0.323 0.000 2.141 432 L HA -0.137 4.203 4.340 -0.001 0.000 0.209 432 L C 2.295 179.115 176.870 -0.084 0.000 1.094 432 L CA 1.949 56.662 54.840 -0.212 0.000 0.763 432 L CB -0.698 41.214 42.059 -0.246 0.000 0.908 432 L HN 0.340 nan 8.230 nan 0.000 0.437 433 M N -1.198 118.346 119.600 -0.093 0.000 2.073 433 M HA -0.334 4.145 4.480 -0.001 0.000 0.258 433 M C 2.383 178.645 176.300 -0.063 0.000 1.070 433 M CA 2.465 57.707 55.300 -0.097 0.000 1.103 433 M CB -0.429 32.080 32.600 -0.150 0.000 1.321 433 M HN 0.571 nan 8.290 nan 0.000 0.405 434 H N -0.800 118.229 119.070 -0.069 0.000 2.389 434 H HA -0.154 4.402 4.556 -0.001 0.000 0.299 434 H C 1.441 176.783 175.328 0.023 0.000 1.081 434 H CA 2.305 58.328 56.048 -0.042 0.000 1.345 434 H CB -0.385 29.355 29.762 -0.036 0.000 1.393 434 H HN 0.495 nan 8.280 nan 0.000 0.520 435 Y N -0.494 119.656 120.300 -0.250 0.000 2.293 435 Y HA -0.120 4.429 4.550 -0.001 0.000 0.291 435 Y C 2.687 178.462 175.900 -0.208 0.000 1.137 435 Y CA 1.179 59.138 58.100 -0.236 0.000 1.202 435 Y CB -0.316 38.075 38.460 -0.115 0.000 0.990 435 Y HN 0.115 nan 8.280 nan 0.000 0.537 436 V N 0.207 120.106 119.914 -0.025 0.000 2.295 436 V HA -0.312 3.807 4.120 -0.001 0.000 0.246 436 V C 2.503 178.532 176.094 -0.108 0.000 1.049 436 V CA 2.208 64.466 62.300 -0.069 0.000 1.024 436 V CB -0.586 31.189 31.823 -0.079 0.000 0.648 436 V HN 0.316 nan 8.190 nan 0.000 0.447 437 R N 0.454 120.866 120.500 -0.147 0.000 2.073 437 R HA -0.175 4.164 4.340 -0.001 0.000 0.234 437 R C 2.279 178.506 176.300 -0.121 0.000 1.134 437 R CA 1.865 57.888 56.100 -0.129 0.000 0.952 437 R CB -0.508 29.714 30.300 -0.130 0.000 0.850 437 R HN 0.453 nan 8.270 nan 0.000 0.433 438 A N 0.805 123.484 122.820 -0.235 0.000 1.902 438 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 438 A C 2.403 179.928 177.584 -0.097 0.000 1.181 438 A CA 1.706 53.661 52.037 -0.136 0.000 0.623 438 A CB -0.813 18.019 19.000 -0.280 0.000 0.818 438 A HN 0.583 nan 8.150 nan 0.000 0.443 439 A N -0.208 122.552 122.820 -0.101 0.000 1.902 439 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 439 A C 1.946 179.485 177.584 -0.076 0.000 1.181 439 A CA 1.608 53.603 52.037 -0.071 0.000 0.623 439 A CB -0.520 18.450 19.000 -0.050 0.000 0.818 439 A HN 0.632 nan 8.150 nan 0.000 0.443 440 E N -1.060 119.092 120.200 -0.080 0.000 2.106 440 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 440 E C 2.060 178.601 176.600 -0.098 0.000 0.984 440 E CA 1.301 57.647 56.400 -0.090 0.000 0.806 440 E CB -0.242 29.405 29.700 -0.088 0.000 0.750 440 E HN 0.750 nan 8.360 nan 0.000 0.458 441 M N 0.725 120.286 119.600 -0.065 0.000 2.098 441 M HA -0.137 4.343 4.480 -0.001 0.000 0.262 441 M C 2.171 178.473 176.300 0.004 0.000 1.072 441 M CA 1.319 56.584 55.300 -0.059 0.000 1.133 441 M CB 0.041 32.700 32.600 0.099 0.000 1.344 441 M HN 0.064 nan 8.290 nan 0.000 0.414 442 L N 0.037 121.307 121.223 0.079 0.000 2.079 442 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 442 L C 2.618 179.648 176.870 0.266 0.000 1.081 442 L CA 1.732 56.679 54.840 0.178 0.000 0.752 442 L CB -0.575 41.440 42.059 -0.074 0.000 0.896 442 L HN 0.514 nan 8.230 nan 0.000 0.433 443 S N -1.011 114.770 115.700 0.136 0.000 2.501 443 S HA 0.067 4.536 4.470 -0.001 0.000 0.220 443 S C 2.032 176.811 174.600 0.298 0.000 0.997 443 S CA 0.374 58.731 58.200 0.262 0.000 0.919 443 S CB -0.040 63.123 63.200 -0.062 0.000 0.778 443 S HN 0.292 nan 8.310 nan 0.000 0.523 444 A N 0.984 123.804 122.820 -0.000 0.000 2.019 444 A HA 0.036 4.355 4.320 -0.001 0.000 0.219 444 A C 1.713 179.177 177.584 -0.200 0.000 1.164 444 A CA 0.969 52.898 52.037 -0.180 0.000 0.644 444 A CB -1.206 17.539 19.000 -0.426 0.000 0.805 444 A HN 0.770 nan 8.150 nan 0.000 0.449 445 W N -0.756 120.534 121.300 -0.017 0.000 2.425 445 W HA 0.007 4.667 4.660 -0.001 0.000 0.277 445 W C 0.896 177.161 176.519 -0.423 0.000 1.231 445 W CA 0.986 58.217 57.345 -0.191 0.000 1.248 445 W CB -0.183 29.127 29.460 -0.250 0.000 1.117 445 W HN 0.396 nan 8.180 nan 0.000 0.568 446 H N -2.199 116.914 119.070 0.072 0.000 2.731 446 H HA 0.380 4.935 4.556 -0.001 0.000 0.368 446 H C -0.349 174.867 175.328 -0.186 0.000 1.168 446 H CA -0.937 54.996 56.048 -0.192 0.000 1.181 446 H CB 1.623 31.030 29.762 -0.592 0.000 1.743 446 H HN -0.433 nan 8.280 nan 0.000 0.547 447 S N 0.923 116.581 115.700 -0.070 0.000 2.537 447 S HA 0.179 4.649 4.470 -0.001 0.000 0.275 447 S C -1.146 173.361 174.600 -0.156 0.000 1.272 447 S CA -0.586 57.597 58.200 -0.028 0.000 1.050 447 S CB 0.184 63.376 63.200 -0.013 0.000 0.961 447 S HN 0.330 nan 8.310 nan 0.000 0.496 448 W N 1.818 123.116 121.300 -0.003 0.000 2.573 448 W HA 0.325 4.985 4.660 -0.001 0.000 0.326 448 W C 0.039 176.517 176.519 -0.068 0.000 1.049 448 W CA -0.907 56.410 57.345 -0.047 0.000 1.220 448 W CB 0.496 29.892 29.460 -0.107 0.000 1.373 448 W HN 0.585 nan 8.180 nan 0.000 0.507 449 D N 1.085 121.571 120.400 0.143 0.000 2.571 449 D HA 0.060 4.699 4.640 -0.001 0.000 0.231 449 D C 1.678 177.988 176.300 0.017 0.000 1.133 449 D CA 1.480 55.534 54.000 0.089 0.000 0.862 449 D CB 1.113 42.010 40.800 0.161 0.000 1.179 449 D HN 0.579 nan 8.370 nan 0.000 0.474 450 G N 3.516 112.335 108.800 0.032 0.000 2.475 450 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.220 450 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.220 450 G C 1.343 176.230 174.900 -0.021 0.000 1.125 450 G CA 0.465 45.569 45.100 0.006 0.000 0.755 450 G HN 0.496 nan 8.290 nan 0.000 0.565 451 M N 0.992 120.601 119.600 0.015 0.000 2.446 451 M HA 0.072 4.551 4.480 -0.001 0.000 0.263 451 M C 2.780 179.030 176.300 -0.084 0.000 1.066 451 M CA 0.825 56.165 55.300 0.066 0.000 1.087 451 M CB -0.881 31.872 32.600 0.255 0.000 1.406 451 M HN 0.329 nan 8.290 nan 0.000 0.459 452 A N -0.204 122.307 122.820 -0.515 0.000 2.119 452 A HA -0.041 4.278 4.320 -0.001 0.000 0.216 452 A C 1.231 178.609 177.584 -0.343 0.000 1.152 452 A CA 0.377 51.891 52.037 -0.872 0.000 0.708 452 A CB -0.366 17.942 19.000 -1.153 0.000 0.805 452 A HN 0.583 nan 8.150 nan 0.000 0.460 453 R N -1.604 118.772 120.500 -0.206 0.000 3.627 453 R HA -0.187 4.152 4.340 -0.001 0.000 0.281 453 R C 0.689 176.885 176.300 -0.174 0.000 1.140 453 R CA 0.700 56.722 56.100 -0.130 0.000 0.761 453 R CB -2.080 28.179 30.300 -0.069 0.000 1.181 453 R HN 0.471 nan 8.270 nan 0.000 0.472 454 I N 0.552 120.964 120.570 -0.263 0.000 2.142 454 I HA -0.213 3.956 4.170 -0.001 0.000 0.240 454 I C 2.169 178.167 176.117 -0.198 0.000 1.078 454 I CA 1.761 62.860 61.300 -0.335 0.000 1.343 454 I CB -0.659 37.001 38.000 -0.566 0.000 1.046 454 I HN 0.238 nan 8.210 nan 0.000 0.405 455 E N 0.618 120.739 120.200 -0.132 0.000 2.077 455 E HA -0.229 4.120 4.350 -0.001 0.000 0.193 455 E C 2.120 178.679 176.600 -0.069 0.000 0.989 455 E CA 1.205 57.557 56.400 -0.080 0.000 0.800 455 E CB -0.225 29.451 29.700 -0.040 0.000 0.746 455 E HN 0.460 nan 8.360 nan 0.000 0.452 456 E N 0.468 120.629 120.200 -0.064 0.000 2.038 456 E HA -0.269 4.080 4.350 -0.001 0.000 0.195 456 E C 1.985 178.549 176.600 -0.060 0.000 1.000 456 E CA 1.157 57.528 56.400 -0.049 0.000 0.803 456 E CB 0.080 29.757 29.700 -0.039 0.000 0.750 456 E HN -0.025 nan 8.360 nan 0.000 0.448 457 R N 0.283 120.736 120.500 -0.078 0.000 2.092 457 R HA -0.013 4.326 4.340 -0.001 0.000 0.231 457 R C 2.414 178.666 176.300 -0.080 0.000 1.119 457 R CA 0.923 56.978 56.100 -0.075 0.000 0.970 457 R CB -0.465 29.783 30.300 -0.087 0.000 0.864 457 R HN 0.279 nan 8.270 nan 0.000 0.440 458 L N -0.155 121.011 121.223 -0.096 0.000 2.093 458 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 458 L C 2.353 179.167 176.870 -0.094 0.000 1.085 458 L CA 1.473 56.255 54.840 -0.095 0.000 0.755 458 L CB -0.390 41.606 42.059 -0.104 0.000 0.904 458 L HN 0.298 nan 8.230 nan 0.000 0.435 459 E N 0.068 120.217 120.200 -0.086 0.000 2.072 459 E HA -0.282 4.067 4.350 -0.001 0.000 0.191 459 E C 2.224 178.755 176.600 -0.115 0.000 0.985 459 E CA 1.090 57.432 56.400 -0.097 0.000 0.801 459 E CB 0.025 29.690 29.700 -0.058 0.000 0.750 459 E HN 0.411 nan 8.360 nan 0.000 0.452 460 Q N 0.018 119.769 119.800 -0.082 0.000 2.050 460 Q HA -0.201 4.138 4.340 -0.001 0.000 0.202 460 Q C 2.094 178.044 176.000 -0.084 0.000 0.980 460 Q CA 1.573 57.333 55.803 -0.071 0.000 0.840 460 Q CB -0.219 28.491 28.738 -0.046 0.000 0.898 460 Q HN 0.350 nan 8.270 nan 0.000 0.424 461 A N 1.178 123.948 122.820 -0.083 0.000 1.877 461 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 461 A C 2.099 179.619 177.584 -0.108 0.000 1.186 461 A CA 1.525 53.513 52.037 -0.082 0.000 0.620 461 A CB -0.551 18.407 19.000 -0.070 0.000 0.822 461 A HN 0.378 nan 8.150 nan 0.000 0.443 462 R N -0.719 119.700 120.500 -0.136 0.000 2.091 462 R HA -0.122 4.218 4.340 -0.001 0.000 0.238 462 R C 2.460 178.607 176.300 -0.256 0.000 1.136 462 R CA 1.672 57.665 56.100 -0.178 0.000 0.959 462 R CB -0.313 29.872 30.300 -0.192 0.000 0.856 462 R HN 0.518 nan 8.270 nan 0.000 0.437 463 R N 0.368 120.684 120.500 -0.307 0.000 2.092 463 R HA -0.080 4.259 4.340 -0.001 0.000 0.231 463 R C 2.088 178.314 176.300 -0.122 0.000 1.119 463 R CA 1.020 56.884 56.100 -0.394 0.000 0.970 463 R CB -0.056 30.040 30.300 -0.339 0.000 0.864 463 R HN 0.247 nan 8.270 nan 0.000 0.440 464 E N 0.860 121.021 120.200 -0.064 0.000 2.107 464 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 464 E C 2.014 178.630 176.600 0.027 0.000 0.982 464 E CA 0.678 57.081 56.400 0.005 0.000 0.809 464 E CB -0.198 29.497 29.700 -0.008 0.000 0.756 464 E HN 0.160 nan 8.360 nan 0.000 0.459 465 L N 1.330 122.540 121.223 -0.021 0.000 2.056 465 L HA -0.078 4.261 4.340 -0.001 0.000 0.207 465 L C 2.189 179.094 176.870 0.059 0.000 1.078 465 L CA 1.609 56.456 54.840 0.012 0.000 0.749 465 L CB -0.582 41.453 42.059 -0.041 0.000 0.901 465 L HN -0.108 nan 8.230 nan 0.000 0.433 466 S N -0.440 115.256 115.700 -0.007 0.000 2.382 466 S HA -0.169 4.300 4.470 -0.001 0.000 0.228 466 S C 1.825 176.548 174.600 0.204 0.000 1.027 466 S CA 1.521 59.744 58.200 0.039 0.000 0.991 466 S CB -0.557 62.547 63.200 -0.160 0.000 0.823 466 S HN 0.471 nan 8.310 nan 0.000 0.469 467 L N 0.635 122.009 121.223 0.252 0.000 2.046 467 L HA 0.026 4.365 4.340 -0.001 0.000 0.208 467 L C 1.814 178.784 176.870 0.167 0.000 1.077 467 L CA 1.647 56.646 54.840 0.266 0.000 0.747 467 L CB -0.645 41.534 42.059 0.201 0.000 0.896 467 L HN 0.288 nan 8.230 nan 0.000 0.432 468 F N -0.224 119.689 119.950 -0.063 0.000 2.604 468 F HA -0.095 4.431 4.527 -0.001 0.000 0.298 468 F C 2.145 177.858 175.800 -0.145 0.000 1.131 468 F CA 0.773 58.626 58.000 -0.244 0.000 1.457 468 F CB -0.236 38.657 39.000 -0.178 0.000 1.095 468 F HN 0.255 nan 8.300 nan 0.000 0.574 469 Q N -0.425 119.332 119.800 -0.071 0.000 2.436 469 Q HA -0.146 4.194 4.340 -0.001 0.000 0.209 469 Q C 0.549 176.487 176.000 -0.104 0.000 0.965 469 Q CA 0.447 56.187 55.803 -0.104 0.000 0.910 469 Q CB -1.306 27.441 28.738 0.016 0.000 0.980 469 Q HN 0.476 nan 8.270 nan 0.000 0.491 470 H N 2.225 121.185 119.070 -0.184 0.000 3.073 470 H HA -0.126 4.429 4.556 -0.001 0.000 0.340 470 H C 1.289 176.457 175.328 -0.267 0.000 1.054 470 H CA 0.746 56.675 56.048 -0.198 0.000 1.372 470 H CB 0.530 30.191 29.762 -0.169 0.000 1.314 470 H HN 0.258 nan 8.280 nan 0.000 0.603 471 H N 2.121 120.762 119.070 -0.714 0.000 2.563 471 H HA -0.015 4.541 4.556 -0.001 0.000 0.272 471 H C -0.313 174.563 175.328 -0.754 0.000 1.005 471 H CA 0.726 56.312 56.048 -0.768 0.000 1.171 471 H CB 0.315 29.612 29.762 -0.775 0.000 1.351 471 H HN 0.590 nan 8.280 nan 0.000 0.602 472 D N 0.383 120.076 120.400 -1.178 0.000 2.469 472 D HA 0.125 4.764 4.640 -0.001 0.000 0.215 472 D C 1.626 177.892 176.300 -0.057 0.000 1.154 472 D CA 0.290 54.144 54.000 -0.244 0.000 0.832 472 D CB 0.825 41.751 40.800 0.210 0.000 1.008 472 D HN 0.521 nan 8.370 nan 0.000 0.506 473 G N 1.280 109.821 108.800 -0.431 0.000 2.549 473 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.219 473 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.219 473 G C 1.362 175.626 174.900 -1.059 0.000 1.677 473 G CA -0.216 44.377 45.100 -0.844 0.000 0.929 473 G HN 0.194 nan 8.290 nan 0.000 0.549 474 I N 1.975 121.606 120.570 -1.564 0.000 2.399 474 I HA -0.215 3.954 4.170 -0.001 0.000 0.254 474 I C 2.951 178.949 176.117 -0.200 0.000 1.146 474 I CA 2.105 62.825 61.300 -0.968 0.000 1.412 474 I CB -0.085 37.559 38.000 -0.593 0.000 1.076 474 I HN 0.399 nan 8.210 nan 0.000 0.432 475 T N -1.467 113.026 114.554 -0.101 0.000 2.929 475 T HA -0.038 4.311 4.350 -0.001 0.000 0.271 475 T C 1.554 176.402 174.700 0.247 0.000 1.085 475 T CA 0.702 62.943 62.100 0.237 0.000 1.125 475 T CB -0.739 68.276 68.868 0.245 0.000 0.874 475 T HN 0.656 nan 8.240 nan 0.000 0.494 476 G N 1.525 110.423 108.800 0.162 0.000 2.221 476 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.265 476 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.265 476 G C 0.554 175.530 174.900 0.126 0.000 1.041 476 G CA 0.702 45.921 45.100 0.197 0.000 0.807 476 G HN 1.149 nan 8.290 nan 0.000 0.502 477 T N -3.442 111.184 114.554 0.119 0.000 3.176 477 T HA 0.727 5.076 4.350 -0.001 0.000 0.263 477 T C 0.943 175.840 174.700 0.329 0.000 1.021 477 T CA 1.003 63.106 62.100 0.005 0.000 0.905 477 T CB 0.936 69.666 68.868 -0.231 0.000 1.057 477 T HN 1.537 nan 8.240 nan 0.000 0.558 478 A N 1.271 124.296 122.820 0.342 0.000 2.256 478 A HA 0.678 4.997 4.320 -0.001 0.000 0.318 478 A C 0.228 177.890 177.584 0.131 0.000 1.103 478 A CA -0.935 51.322 52.037 0.366 0.000 0.860 478 A CB 0.810 20.066 19.000 0.427 0.000 1.182 478 A HN 0.408 nan 8.150 nan 0.000 0.501 479 K N -0.315 120.083 120.400 -0.003 0.000 2.276 479 K HA 0.152 4.472 4.320 -0.001 0.000 0.259 479 K C 1.070 177.663 176.600 -0.012 0.000 1.001 479 K CA 0.345 56.619 56.287 -0.023 0.000 0.927 479 K CB 0.355 32.836 32.500 -0.031 0.000 0.969 479 K HN 0.725 nan 8.250 nan 0.000 0.490 480 T N 1.217 115.798 114.554 0.045 0.000 2.699 480 T HA -0.193 4.157 4.350 -0.001 0.000 0.268 480 T C 1.622 176.344 174.700 0.037 0.000 1.036 480 T CA 1.742 63.875 62.100 0.054 0.000 1.147 480 T CB -0.387 68.525 68.868 0.073 0.000 0.862 480 T HN 0.672 nan 8.240 nan 0.000 0.446 481 H N 0.282 119.342 119.070 -0.016 0.000 2.524 481 H HA 0.140 4.696 4.556 -0.001 0.000 0.282 481 H C 1.962 177.258 175.328 -0.053 0.000 1.016 481 H CA 0.692 56.723 56.048 -0.028 0.000 1.270 481 H CB -0.644 29.098 29.762 -0.034 0.000 1.394 481 H HN 0.270 nan 8.280 nan 0.000 0.568 482 V N 0.973 120.536 119.914 -0.585 0.000 2.535 482 V HA -0.136 3.983 4.120 -0.001 0.000 0.246 482 V C 2.942 178.835 176.094 -0.336 0.000 1.045 482 V CA 0.954 62.929 62.300 -0.542 0.000 1.058 482 V CB -0.243 31.315 31.823 -0.442 0.000 0.689 482 V HN 0.222 nan 8.190 nan 0.000 0.461 483 V N 0.059 119.908 119.914 -0.108 0.000 2.407 483 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 483 V C 2.459 178.518 176.094 -0.058 0.000 1.055 483 V CA 1.865 64.164 62.300 -0.001 0.000 1.049 483 V CB -0.407 31.396 31.823 -0.034 0.000 0.662 483 V HN 0.414 nan 8.190 nan 0.000 0.455 484 V N 0.392 120.281 119.914 -0.041 0.000 2.343 484 V HA -0.310 3.809 4.120 -0.001 0.000 0.247 484 V C 2.300 178.395 176.094 0.001 0.000 1.051 484 V CA 2.431 64.738 62.300 0.012 0.000 1.036 484 V CB -0.709 31.134 31.823 0.033 0.000 0.654 484 V HN 0.639 nan 8.190 nan 0.000 0.451 485 D N -0.944 119.412 120.400 -0.074 0.000 2.104 485 D HA -0.215 4.424 4.640 -0.001 0.000 0.194 485 D C 2.009 178.302 176.300 -0.011 0.000 0.994 485 D CA 1.626 55.579 54.000 -0.079 0.000 0.830 485 D CB -0.178 40.519 40.800 -0.172 0.000 0.959 485 D HN 0.490 nan 8.370 nan 0.000 0.452 486 Y N 0.907 121.230 120.300 0.038 0.000 2.181 486 Y HA -0.053 4.496 4.550 -0.001 0.000 0.288 486 Y C 2.452 178.299 175.900 -0.089 0.000 1.146 486 Y CA 1.266 59.378 58.100 0.020 0.000 1.164 486 Y CB -0.771 37.768 38.460 0.132 0.000 0.982 486 Y HN 0.157 nan 8.280 nan 0.000 0.515 487 E N 0.109 120.377 120.200 0.114 0.000 2.047 487 E HA -0.243 4.107 4.350 -0.001 0.000 0.191 487 E C 1.994 178.657 176.600 0.106 0.000 0.987 487 E CA 1.384 57.876 56.400 0.153 0.000 0.799 487 E CB -0.036 29.844 29.700 0.299 0.000 0.752 487 E HN 0.574 nan 8.360 nan 0.000 0.449 488 Q N 0.011 119.861 119.800 0.084 0.000 2.096 488 Q HA -0.181 4.158 4.340 -0.001 0.000 0.204 488 Q C 2.350 178.375 176.000 0.042 0.000 0.982 488 Q CA 1.431 57.270 55.803 0.059 0.000 0.850 488 Q CB -0.158 28.608 28.738 0.046 0.000 0.901 488 Q HN 0.208 nan 8.270 nan 0.000 0.422 489 R N 0.224 120.752 120.500 0.046 0.000 2.073 489 R HA -0.061 4.278 4.340 -0.001 0.000 0.234 489 R C 2.317 178.618 176.300 0.001 0.000 1.134 489 R CA 1.494 57.615 56.100 0.034 0.000 0.952 489 R CB -0.199 30.145 30.300 0.072 0.000 0.850 489 R HN 0.291 nan 8.270 nan 0.000 0.433 490 M N 0.063 119.648 119.600 -0.025 0.000 2.213 490 M HA -0.180 4.299 4.480 -0.001 0.000 0.263 490 M C 2.316 178.581 176.300 -0.057 0.000 1.062 490 M CA 1.390 56.639 55.300 -0.086 0.000 1.105 490 M CB -0.147 32.337 32.600 -0.194 0.000 1.385 490 M HN 0.062 nan 8.290 nan 0.000 0.417 491 Q N 0.926 120.727 119.800 0.001 0.000 2.084 491 Q HA -0.165 4.174 4.340 -0.001 0.000 0.202 491 Q C 1.748 177.745 176.000 -0.006 0.000 0.978 491 Q CA 1.609 57.423 55.803 0.020 0.000 0.844 491 Q CB -0.081 28.691 28.738 0.058 0.000 0.898 491 Q HN 0.324 nan 8.270 nan 0.000 0.426 492 E N -0.042 120.156 120.200 -0.004 0.000 2.110 492 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 492 E C 1.818 178.403 176.600 -0.025 0.000 0.988 492 E CA 1.177 57.571 56.400 -0.009 0.000 0.804 492 E CB -0.469 29.229 29.700 -0.003 0.000 0.745 492 E HN 0.474 nan 8.360 nan 0.000 0.458 493 A N 1.194 123.990 122.820 -0.039 0.000 1.877 493 A HA -0.134 4.185 4.320 -0.001 0.000 0.216 493 A C 2.416 179.964 177.584 -0.061 0.000 1.186 493 A CA 1.085 53.089 52.037 -0.054 0.000 0.620 493 A CB -0.757 18.200 19.000 -0.071 0.000 0.822 493 A HN 0.189 nan 8.150 nan 0.000 0.443 494 L N -0.620 120.546 121.223 -0.094 0.000 2.042 494 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 494 L C 2.637 179.485 176.870 -0.037 0.000 1.076 494 L CA 1.848 56.604 54.840 -0.140 0.000 0.749 494 L CB -0.418 41.512 42.059 -0.215 0.000 0.893 494 L HN 0.388 nan 8.230 nan 0.000 0.432 495 K N -0.243 120.144 120.400 -0.021 0.000 2.057 495 K HA -0.138 4.182 4.320 -0.001 0.000 0.207 495 K C 2.226 178.833 176.600 0.012 0.000 1.049 495 K CA 1.317 57.607 56.287 0.005 0.000 0.931 495 K CB -0.251 32.248 32.500 -0.002 0.000 0.714 495 K HN 0.288 nan 8.250 nan 0.000 0.440 496 A N 1.160 123.976 122.820 -0.005 0.000 1.902 496 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 496 A C 2.443 180.027 177.584 -0.000 0.000 1.181 496 A CA 1.490 53.519 52.037 -0.014 0.000 0.623 496 A CB -0.980 18.001 19.000 -0.032 0.000 0.818 496 A HN 0.404 nan 8.150 nan 0.000 0.443 497 C N -0.988 118.328 119.300 0.025 0.000 2.429 497 C HA -0.124 4.335 4.460 -0.001 0.000 0.277 497 C C 2.867 177.923 174.990 0.110 0.000 1.262 497 C CA 1.263 60.320 59.018 0.065 0.000 1.733 497 C CB -1.281 26.544 27.740 0.143 0.000 2.010 497 C HN 0.795 nan 8.230 nan 0.000 0.483 498 Q N 0.286 120.176 119.800 0.150 0.000 2.096 498 Q HA -0.277 4.062 4.340 -0.001 0.000 0.204 498 Q C 2.167 178.251 176.000 0.140 0.000 0.982 498 Q CA 2.020 57.926 55.803 0.172 0.000 0.850 498 Q CB -0.280 28.552 28.738 0.157 0.000 0.901 498 Q HN 0.585 nan 8.270 nan 0.000 0.422 499 M N -0.036 119.611 119.600 0.078 0.000 2.065 499 M HA -0.149 4.330 4.480 -0.001 0.000 0.259 499 M C 1.885 178.206 176.300 0.035 0.000 1.069 499 M CA 1.615 56.949 55.300 0.056 0.000 1.110 499 M CB -0.522 32.087 32.600 0.015 0.000 1.328 499 M HN 0.141 nan 8.290 nan 0.000 0.405 500 V N 0.331 120.231 119.914 -0.024 0.000 2.295 500 V HA -0.323 3.796 4.120 -0.001 0.000 0.246 500 V C 2.436 178.497 176.094 -0.055 0.000 1.049 500 V CA 2.314 64.544 62.300 -0.116 0.000 1.024 500 V CB -0.757 30.975 31.823 -0.151 0.000 0.648 500 V HN 0.571 nan 8.190 nan 0.000 0.447 501 M N 0.265 119.891 119.600 0.043 0.000 2.080 501 M HA -0.268 4.211 4.480 -0.001 0.000 0.260 501 M C 2.395 178.743 176.300 0.081 0.000 1.068 501 M CA 2.455 57.815 55.300 0.101 0.000 1.109 501 M CB -0.538 32.234 32.600 0.285 0.000 1.342 501 M HN 0.547 nan 8.290 nan 0.000 0.405 502 Q N -0.105 119.833 119.800 0.231 0.000 2.123 502 Q HA -0.128 4.211 4.340 -0.001 0.000 0.199 502 Q C 1.830 178.008 176.000 0.295 0.000 0.966 502 Q CA 1.158 57.116 55.803 0.259 0.000 0.845 502 Q CB -0.635 28.364 28.738 0.436 0.000 0.907 502 Q HN 0.425 nan 8.270 nan 0.000 0.439 503 Q N 0.621 120.587 119.800 0.276 0.000 2.084 503 Q HA -0.077 4.263 4.340 -0.001 0.000 0.202 503 Q C 2.282 178.513 176.000 0.385 0.000 0.978 503 Q CA 1.767 57.798 55.803 0.380 0.000 0.844 503 Q CB -0.218 28.661 28.738 0.235 0.000 0.898 503 Q HN 0.518 nan 8.270 nan 0.000 0.426 504 S N 0.404 116.221 115.700 0.195 0.000 2.368 504 S HA -0.080 4.390 4.470 -0.001 0.000 0.224 504 S C 2.225 176.849 174.600 0.040 0.000 1.029 504 S CA 0.963 59.325 58.200 0.269 0.000 0.988 504 S CB -0.211 63.087 63.200 0.164 0.000 0.838 504 S HN 0.124 nan 8.310 nan 0.000 0.462 505 V N 0.857 120.663 119.914 -0.180 0.000 2.343 505 V HA -0.195 3.924 4.120 -0.001 0.000 0.247 505 V C 2.019 178.042 176.094 -0.119 0.000 1.051 505 V CA 1.827 63.886 62.300 -0.402 0.000 1.036 505 V CB -0.755 30.408 31.823 -1.100 0.000 0.654 505 V HN 0.556 nan 8.190 nan 0.000 0.451 506 Y N 1.194 121.502 120.300 0.014 0.000 2.224 506 Y HA -0.218 4.332 4.550 -0.001 0.000 0.289 506 Y C 2.709 178.668 175.900 0.098 0.000 1.146 506 Y CA 2.119 60.327 58.100 0.179 0.000 1.182 506 Y CB -0.303 38.215 38.460 0.097 0.000 0.983 506 Y HN 0.096 nan 8.280 nan 0.000 0.524 507 R N -0.209 120.166 120.500 -0.209 0.000 2.090 507 R HA -0.068 4.272 4.340 -0.001 0.000 0.228 507 R C 2.123 178.089 176.300 -0.557 0.000 1.110 507 R CA 1.403 57.045 56.100 -0.763 0.000 0.973 507 R CB -0.337 29.526 30.300 -0.728 0.000 0.869 507 R HN 0.434 nan 8.270 nan 0.000 0.440 508 L N 0.304 121.335 121.223 -0.320 0.000 2.291 508 L HA -0.055 4.285 4.340 -0.001 0.000 0.214 508 L C 1.326 178.056 176.870 -0.233 0.000 1.120 508 L CA 0.772 55.387 54.840 -0.376 0.000 0.799 508 L CB 0.155 41.850 42.059 -0.606 0.000 0.925 508 L HN 0.244 nan 8.230 nan 0.000 0.446 509 L N -1.301 119.881 121.223 -0.068 0.000 3.168 509 L HA 0.221 4.560 4.340 -0.001 0.000 0.277 509 L C -0.245 176.704 176.870 0.132 0.000 1.245 509 L CA -0.087 54.821 54.840 0.115 0.000 1.035 509 L CB 0.630 42.916 42.059 0.378 0.000 1.399 509 L HN -0.026 nan 8.230 nan 0.000 0.580 510 T N 0.236 114.769 114.554 -0.036 0.000 2.807 510 T HA 0.185 4.534 4.350 -0.001 0.000 0.279 510 T C -0.132 174.491 174.700 -0.129 0.000 0.993 510 T CA -0.540 61.526 62.100 -0.058 0.000 0.970 510 T CB 2.312 71.090 68.868 -0.151 0.000 0.950 510 T HN 0.023 nan 8.240 nan 0.000 0.441 511 K N 4.017 124.353 120.400 -0.106 0.000 2.504 511 K HA -0.032 4.288 4.320 -0.001 0.000 0.278 511 K C -1.710 174.853 176.600 -0.061 0.000 1.025 511 K CA -0.969 55.266 56.287 -0.086 0.000 1.093 511 K CB 0.454 32.910 32.500 -0.073 0.000 0.873 511 K HN 0.183 nan 8.250 nan 0.000 0.483 512 P HA -0.174 nan 4.420 nan 0.000 0.216 512 P C 0.712 178.017 177.300 0.008 0.000 1.150 512 P CA 1.344 64.411 63.100 -0.055 0.000 0.837 512 P CB 0.169 31.831 31.700 -0.065 0.000 0.786 513 S N -2.131 113.566 115.700 -0.004 0.000 2.607 513 S HA 0.060 4.529 4.470 -0.001 0.000 0.224 513 S C 1.612 176.219 174.600 0.012 0.000 0.969 513 S CA 0.539 58.742 58.200 0.004 0.000 0.927 513 S CB -1.075 62.121 63.200 -0.007 0.000 0.772 513 S HN 0.114 nan 8.310 nan 0.000 0.533 514 I N -0.989 119.595 120.570 0.023 0.000 4.032 514 I HA 0.227 4.396 4.170 -0.001 0.000 0.313 514 I C 0.387 176.545 176.117 0.068 0.000 1.272 514 I CA -0.481 60.839 61.300 0.033 0.000 1.307 514 I CB 0.032 38.046 38.000 0.024 0.000 1.155 514 I HN 0.224 nan 8.210 nan 0.000 0.431 515 Y N 2.921 123.169 120.300 -0.087 0.000 2.852 515 Y HA -0.091 4.458 4.550 -0.001 0.000 0.343 515 Y C 0.543 176.415 175.900 -0.047 0.000 1.280 515 Y CA 0.098 58.110 58.100 -0.146 0.000 1.604 515 Y CB 0.317 38.630 38.460 -0.245 0.000 1.216 515 Y HN -0.102 nan 8.280 nan 0.000 0.541 516 S N 8.665 124.159 115.700 -0.343 0.000 2.204 516 S HA 0.356 4.825 4.470 -0.001 0.000 0.147 516 S C -2.818 171.603 174.600 -0.298 0.000 1.711 516 S CA -1.174 56.844 58.200 -0.302 0.000 1.274 516 S CB -0.146 62.996 63.200 -0.097 0.000 1.257 516 S HN 0.637 nan 8.310 nan 0.000 0.404 517 P HA 0.326 nan 4.420 nan 0.000 0.279 517 P C -1.109 175.995 177.300 -0.327 0.000 1.239 517 P CA -0.199 62.718 63.100 -0.305 0.000 0.789 517 P CB 0.815 32.282 31.700 -0.390 0.000 0.933 518 D N 2.061 122.438 120.400 -0.039 0.000 2.303 518 D HA 0.143 4.783 4.640 -0.001 0.000 0.236 518 D C 0.206 176.552 176.300 0.076 0.000 1.068 518 D CA -0.650 53.283 54.000 -0.111 0.000 0.830 518 D CB 0.473 41.245 40.800 -0.047 0.000 1.109 518 D HN 0.050 nan 8.370 nan 0.000 0.496 519 F N 1.617 121.684 119.950 0.196 0.000 2.699 519 F HA -0.034 4.492 4.527 -0.001 0.000 0.298 519 F C 2.378 178.259 175.800 0.134 0.000 1.154 519 F CA 0.415 58.532 58.000 0.194 0.000 1.457 519 F CB -0.380 38.712 39.000 0.155 0.000 1.106 519 F HN 0.364 nan 8.300 nan 0.000 0.585 520 S N -1.862 113.989 115.700 0.252 0.000 2.540 520 S HA 0.124 4.593 4.470 -0.001 0.000 0.218 520 S C 0.331 174.978 174.600 0.078 0.000 0.977 520 S CA -0.383 57.903 58.200 0.143 0.000 0.918 520 S CB -0.630 62.633 63.200 0.106 0.000 0.806 520 S HN 0.068 nan 8.310 nan 0.000 0.496 521 F N 2.892 122.774 119.950 -0.112 0.000 2.371 521 F HA 0.573 5.100 4.527 -0.001 0.000 0.329 521 F C 0.070 175.626 175.800 -0.406 0.000 1.107 521 F CA -0.626 57.162 58.000 -0.352 0.000 1.137 521 F CB 1.542 40.168 39.000 -0.622 0.000 1.214 521 F HN -0.044 nan 8.300 nan 0.000 0.536 522 S N 5.622 120.616 115.700 -1.175 0.000 2.464 522 S HA 0.140 4.609 4.470 -0.001 0.000 0.313 522 S C 0.330 174.420 174.600 -0.850 0.000 1.078 522 S CA -0.364 57.380 58.200 -0.759 0.000 1.096 522 S CB -0.207 62.663 63.200 -0.551 0.000 1.032 522 S HN 0.621 nan 8.310 nan 0.000 0.498 523 Y N 1.599 121.745 120.300 -0.257 0.000 2.263 523 Y HA 0.163 4.713 4.550 -0.001 0.000 0.292 523 Y C 0.403 175.805 175.900 -0.830 0.000 1.130 523 Y CA 0.700 58.493 58.100 -0.510 0.000 1.179 523 Y CB 0.065 38.265 38.460 -0.433 0.000 0.998 523 Y HN 0.492 nan 8.280 nan 0.000 0.532 524 F N -1.493 118.434 119.950 -0.040 0.000 2.613 524 F HA 0.479 5.005 4.527 -0.001 0.000 0.314 524 F C -0.090 175.758 175.800 0.081 0.000 1.075 524 F CA -1.510 56.524 58.000 0.058 0.000 0.945 524 F CB 1.639 40.806 39.000 0.278 0.000 1.310 524 F HN -0.391 nan 8.300 nan 0.000 0.467 525 T N -0.209 114.521 114.554 0.294 0.000 2.912 525 T HA 0.749 5.098 4.350 -0.001 0.000 0.288 525 T C -0.710 174.112 174.700 0.204 0.000 1.030 525 T CA -0.848 61.367 62.100 0.191 0.000 1.020 525 T CB 1.399 70.316 68.868 0.080 0.000 1.056 525 T HN 0.511 nan 8.240 nan 0.000 0.480 526 L N 1.670 122.945 121.223 0.085 0.000 2.395 526 L HA 0.490 4.830 4.340 -0.001 0.000 0.269 526 L C -0.033 176.840 176.870 0.006 0.000 1.133 526 L CA -0.417 54.379 54.840 -0.073 0.000 0.812 526 L CB 0.872 42.883 42.059 -0.081 0.000 1.125 526 L HN 0.816 nan 8.230 nan 0.000 0.452 527 D N 1.297 121.681 120.400 -0.027 0.000 2.492 527 D HA 0.212 4.851 4.640 -0.001 0.000 0.248 527 D C -1.310 174.930 176.300 -0.099 0.000 1.101 527 D CA -0.392 53.589 54.000 -0.031 0.000 0.840 527 D CB 1.192 42.008 40.800 0.027 0.000 1.209 527 D HN 0.280 nan 8.370 nan 0.000 0.524 528 D N 2.503 122.865 120.400 -0.063 0.000 2.481 528 D HA 0.190 4.830 4.640 -0.001 0.000 0.246 528 D C 0.154 176.405 176.300 -0.081 0.000 1.109 528 D CA -0.445 53.541 54.000 -0.024 0.000 0.845 528 D CB 1.875 42.764 40.800 0.148 0.000 1.160 528 D HN 0.259 nan 8.370 nan 0.000 0.534 529 S N 2.673 118.298 115.700 -0.125 0.000 2.481 529 S HA -0.004 4.465 4.470 -0.001 0.000 0.231 529 S C 1.390 175.952 174.600 -0.064 0.000 0.996 529 S CA 0.690 58.809 58.200 -0.135 0.000 0.942 529 S CB 0.357 63.469 63.200 -0.146 0.000 0.768 529 S HN 0.505 nan 8.310 nan 0.000 0.520 530 R N -0.919 119.577 120.500 -0.007 0.000 2.509 530 R HA 0.218 4.558 4.340 -0.001 0.000 0.297 530 R C -0.635 175.746 176.300 0.135 0.000 0.951 530 R CA -0.101 56.019 56.100 0.034 0.000 1.103 530 R CB 0.823 31.139 30.300 0.026 0.000 1.283 530 R HN 0.335 nan 8.270 nan 0.000 0.534 531 W N 1.493 122.741 121.300 -0.087 0.000 3.259 531 W HA 0.298 4.957 4.660 -0.001 0.000 0.331 531 W C -2.877 173.586 176.519 -0.093 0.000 1.144 531 W CA -1.971 55.308 57.345 -0.110 0.000 1.227 531 W CB 1.813 31.190 29.460 -0.138 0.000 1.371 531 W HN -0.202 nan 8.180 nan 0.000 0.491 532 P HA 0.111 nan 4.420 nan 0.000 0.233 532 P C 0.553 177.494 177.300 -0.599 0.000 1.167 532 P CA 1.630 63.870 63.100 -1.433 0.000 0.770 532 P CB 0.293 31.344 31.700 -1.081 0.000 0.837 533 G N -1.066 107.550 108.800 -0.307 0.000 2.699 533 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.686 533 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.686 533 G C -0.554 174.276 174.900 -0.117 0.000 1.301 533 G CA -0.804 44.208 45.100 -0.146 0.000 0.816 533 G HN 0.001 nan 8.290 nan 0.000 0.595 534 S N 0.469 116.138 115.700 -0.052 0.000 2.499 534 S HA 0.561 5.030 4.470 -0.001 0.000 0.275 534 S C 1.429 176.016 174.600 -0.021 0.000 1.257 534 S CA 1.384 59.578 58.200 -0.009 0.000 1.050 534 S CB 1.071 64.307 63.200 0.060 0.000 0.937 534 S HN 2.556 nan 8.310 nan 0.000 0.490 535 G N 1.623 110.408 108.800 -0.026 0.000 2.213 535 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.236 535 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.236 535 G C 0.567 175.431 174.900 -0.059 0.000 0.991 535 G CA 0.185 45.263 45.100 -0.037 0.000 0.629 535 G HN 0.655 nan 8.290 nan 0.000 0.517 536 V N -0.472 119.389 119.914 -0.088 0.000 3.263 536 V HA 0.524 4.643 4.120 -0.001 0.000 0.248 536 V C 0.626 176.644 176.094 -0.128 0.000 1.145 536 V CA 1.622 63.852 62.300 -0.118 0.000 1.107 536 V CB 0.907 32.627 31.823 -0.172 0.000 0.797 536 V HN 0.519 nan 8.190 nan 0.000 0.467 537 E N -0.019 120.112 120.200 -0.116 0.000 2.748 537 E HA 0.069 4.419 4.350 -0.001 0.000 0.320 537 E C -1.669 174.889 176.600 -0.070 0.000 0.996 537 E CA -0.347 55.992 56.400 -0.102 0.000 0.835 537 E CB 1.096 30.704 29.700 -0.155 0.000 1.265 537 E HN 0.164 nan 8.360 nan 0.000 0.420 538 D N 3.169 123.551 120.400 -0.031 0.000 2.551 538 D HA 0.040 4.679 4.640 -0.001 0.000 0.223 538 D C 0.597 176.889 176.300 -0.014 0.000 1.144 538 D CA 0.429 54.430 54.000 0.001 0.000 1.025 538 D CB 0.359 41.174 40.800 0.026 0.000 1.085 538 D HN 0.410 nan 8.370 nan 0.000 0.506 539 S N 2.433 118.106 115.700 -0.045 0.000 2.486 539 S HA 0.085 4.555 4.470 -0.001 0.000 0.220 539 S C 1.030 175.607 174.600 -0.039 0.000 1.011 539 S CA -0.249 57.921 58.200 -0.051 0.000 0.921 539 S CB 0.334 63.484 63.200 -0.083 0.000 0.785 539 S HN 0.268 nan 8.310 nan 0.000 0.517 540 R N 3.208 123.675 120.500 -0.056 0.000 2.347 540 R HA 0.260 4.600 4.340 -0.001 0.000 0.304 540 R C 0.236 176.533 176.300 -0.006 0.000 1.072 540 R CA 0.217 56.254 56.100 -0.106 0.000 0.980 540 R CB 0.612 30.699 30.300 -0.354 0.000 0.986 540 R HN 0.518 nan 8.270 nan 0.000 0.448 541 T N -0.064 114.499 114.554 0.016 0.000 2.918 541 T HA 0.102 4.451 4.350 -0.001 0.000 0.302 541 T C 0.354 175.138 174.700 0.140 0.000 1.045 541 T CA -0.506 61.638 62.100 0.073 0.000 1.114 541 T CB 1.195 70.104 68.868 0.067 0.000 0.965 541 T HN 0.341 nan 8.240 nan 0.000 0.540 542 T N 3.630 118.282 114.554 0.163 0.000 2.799 542 T HA 0.412 4.762 4.350 -0.001 0.000 0.286 542 T C 0.468 175.268 174.700 0.167 0.000 0.973 542 T CA -0.556 61.669 62.100 0.208 0.000 1.035 542 T CB 0.296 69.257 68.868 0.155 0.000 0.932 542 T HN 0.587 nan 8.240 nan 0.000 0.469 543 I N 4.093 124.782 120.570 0.198 0.000 2.505 543 I HA 0.168 4.337 4.170 -0.001 0.000 0.287 543 I C 0.212 176.411 176.117 0.137 0.000 1.104 543 I CA 0.105 61.501 61.300 0.160 0.000 1.387 543 I CB 0.155 38.253 38.000 0.163 0.000 1.404 543 I HN 0.439 nan 8.210 nan 0.000 0.528 544 I N 8.050 128.687 120.570 0.111 0.000 2.297 544 I HA 0.334 4.503 4.170 -0.001 0.000 0.291 544 I C -0.186 175.989 176.117 0.098 0.000 1.033 544 I CA -0.260 61.098 61.300 0.098 0.000 1.253 544 I CB 0.606 38.652 38.000 0.077 0.000 1.396 544 I HN 0.396 nan 8.210 nan 0.000 0.476 545 L N 5.753 127.038 121.223 0.103 0.000 2.333 545 L HA 0.926 5.265 4.340 -0.001 0.000 0.269 545 L C 0.131 177.057 176.870 0.094 0.000 1.010 545 L CA -0.638 54.262 54.840 0.100 0.000 0.818 545 L CB 2.227 44.350 42.059 0.107 0.000 1.306 545 L HN 0.684 nan 8.230 nan 0.000 0.430 546 G N 0.419 109.271 108.800 0.086 0.000 2.616 546 G HA2 0.313 4.272 3.960 -0.001 0.000 0.294 546 G HA3 0.313 4.272 3.960 -0.001 0.000 0.294 546 G C -0.407 174.535 174.900 0.070 0.000 1.489 546 G CA -0.430 44.718 45.100 0.081 0.000 0.836 546 G HN 0.566 nan 8.290 nan 0.000 0.527 547 E N 0.184 120.423 120.200 0.066 0.000 2.171 547 E HA -0.073 4.276 4.350 -0.001 0.000 0.197 547 E C 1.235 177.863 176.600 0.046 0.000 0.997 547 E CA 1.506 57.938 56.400 0.053 0.000 0.810 547 E CB 0.266 29.994 29.700 0.046 0.000 0.738 547 E HN 0.494 nan 8.360 nan 0.000 0.467 548 D N -0.998 119.430 120.400 0.046 0.000 2.340 548 D HA 0.168 4.808 4.640 -0.001 0.000 0.217 548 D C 1.205 177.531 176.300 0.043 0.000 1.081 548 D CA 0.169 54.193 54.000 0.040 0.000 0.842 548 D CB 0.714 41.536 40.800 0.036 0.000 0.934 548 D HN 0.207 nan 8.370 nan 0.000 0.511 549 I N -0.851 119.750 120.570 0.051 0.000 4.420 549 I HA 0.103 4.273 4.170 -0.001 0.000 0.292 549 I C -1.344 174.810 176.117 0.062 0.000 1.153 549 I CA 0.093 61.425 61.300 0.053 0.000 1.315 549 I CB 1.307 39.339 38.000 0.053 0.000 1.616 549 I HN -0.190 nan 8.210 nan 0.000 0.450 550 L N 1.376 122.641 121.223 0.070 0.000 2.830 550 L HA 0.444 4.783 4.340 -0.001 0.000 0.259 550 L C -2.616 174.303 176.870 0.083 0.000 0.943 550 L CA -0.747 54.142 54.840 0.082 0.000 0.997 550 L CB 1.564 43.679 42.059 0.093 0.000 1.427 550 L HN -0.202 nan 8.230 nan 0.000 0.456 551 P HA 0.126 nan 4.420 nan 0.000 0.224 551 P C -0.466 176.878 177.300 0.074 0.000 1.157 551 P CA 0.805 63.948 63.100 0.072 0.000 0.799 551 P CB 0.384 32.120 31.700 0.060 0.000 0.809 552 S N -2.448 113.304 115.700 0.086 0.000 2.625 552 S HA 0.753 5.223 4.470 -0.001 0.000 0.271 552 S C -1.327 173.345 174.600 0.120 0.000 1.161 552 S CA -0.721 57.525 58.200 0.077 0.000 0.820 552 S CB 2.347 65.571 63.200 0.040 0.000 1.137 552 S HN -0.191 nan 8.310 nan 0.000 0.470 553 K N 0.541 121.004 120.400 0.105 0.000 2.535 553 K HA 0.548 4.867 4.320 -0.001 0.000 0.251 553 K C -2.025 174.681 176.600 0.176 0.000 0.942 553 K CA -0.238 56.163 56.287 0.191 0.000 0.798 553 K CB 1.018 33.612 32.500 0.156 0.000 1.267 553 K HN 0.855 nan 8.250 nan 0.000 0.434 554 H N 0.928 120.158 119.070 0.266 0.000 2.610 554 H HA 0.435 4.991 4.556 -0.001 0.000 0.336 554 H C -0.239 175.327 175.328 0.398 0.000 1.087 554 H CA 0.041 56.293 56.048 0.339 0.000 1.405 554 H CB 1.019 31.081 29.762 0.499 0.000 1.460 554 H HN 0.392 nan 8.280 nan 0.000 0.538 555 V N 1.295 121.474 119.914 0.442 0.000 2.769 555 V HA 0.759 4.879 4.120 -0.001 0.000 0.312 555 V C -0.675 175.770 176.094 0.584 0.000 1.061 555 V CA -0.862 61.695 62.300 0.429 0.000 0.931 555 V CB 2.015 33.841 31.823 0.004 0.000 1.010 555 V HN 0.466 nan 8.190 nan 0.000 0.433 556 V N 4.288 124.565 119.914 0.604 0.000 2.709 556 V HA 0.628 4.747 4.120 -0.001 0.000 0.308 556 V C -0.414 176.028 176.094 0.580 0.000 1.062 556 V CA -0.389 62.224 62.300 0.520 0.000 0.901 556 V CB 1.846 33.824 31.823 0.258 0.000 1.003 556 V HN 0.942 nan 8.190 nan 0.000 0.425 557 M N 4.039 123.951 119.600 0.520 0.000 2.404 557 M HA 0.488 4.968 4.480 -0.001 0.000 0.338 557 M C -0.474 176.080 176.300 0.422 0.000 1.150 557 M CA -0.280 55.290 55.300 0.451 0.000 1.016 557 M CB 1.175 33.986 32.600 0.352 0.000 1.672 557 M HN 0.759 nan 8.290 nan 0.000 0.448 558 H N 1.880 121.142 119.070 0.320 0.000 2.492 558 H HA 0.486 5.042 4.556 -0.001 0.000 0.345 558 H C -1.319 174.114 175.328 0.174 0.000 1.136 558 H CA -0.597 55.605 56.048 0.258 0.000 1.202 558 H CB 1.189 31.163 29.762 0.353 0.000 1.524 558 H HN 0.653 nan 8.280 nan 0.000 0.506 559 N N 3.087 121.527 118.700 -0.434 0.000 2.569 559 N HA 0.037 4.776 4.740 -0.001 0.000 0.254 559 N C 0.324 175.502 175.510 -0.553 0.000 1.004 559 N CA -0.311 52.508 53.050 -0.386 0.000 0.904 559 N CB 1.564 39.935 38.487 -0.194 0.000 1.165 559 N HN 0.640 nan 8.380 nan 0.000 0.513 560 T N 2.855 117.119 114.554 -0.483 0.000 3.035 560 T HA 0.149 4.498 4.350 -0.001 0.000 0.268 560 T C 0.702 175.366 174.700 -0.060 0.000 1.109 560 T CA 0.534 62.529 62.100 -0.174 0.000 1.119 560 T CB -0.240 68.671 68.868 0.071 0.000 0.900 560 T HN 0.420 nan 8.240 nan 0.000 0.503 561 L N 2.708 123.840 121.223 -0.152 0.000 2.417 561 L HA 0.304 4.643 4.340 -0.001 0.000 0.268 561 L C -1.622 175.105 176.870 -0.238 0.000 1.158 561 L CA -1.887 52.827 54.840 -0.212 0.000 0.819 561 L CB 0.636 42.429 42.059 -0.443 0.000 1.112 561 L HN -0.035 nan 8.230 nan 0.000 0.458 562 P HA 0.061 nan 4.420 nan 0.000 0.235 562 P C -0.991 176.330 177.300 0.034 0.000 1.725 562 P CA 0.282 63.374 63.100 -0.013 0.000 0.894 562 P CB -0.345 31.401 31.700 0.077 0.000 1.704 563 H N -3.173 115.905 119.070 0.014 0.000 2.996 563 H HA 0.223 4.779 4.556 -0.001 0.000 0.368 563 H C -0.957 174.377 175.328 0.011 0.000 1.185 563 H CA -1.099 54.973 56.048 0.040 0.000 1.160 563 H CB 0.014 29.830 29.762 0.091 0.000 1.820 563 H HN -0.132 nan 8.280 nan 0.000 0.547 564 W N 2.056 123.461 121.300 0.175 0.000 2.409 564 W HA 0.098 4.757 4.660 -0.001 0.000 0.338 564 W C 0.951 177.576 176.519 0.177 0.000 1.273 564 W CA 0.573 57.993 57.345 0.125 0.000 1.299 564 W CB 0.344 29.866 29.460 0.103 0.000 1.192 564 W HN 0.531 nan 8.180 nan 0.000 0.565 565 R N 2.461 123.162 120.500 0.334 0.000 2.621 565 R HA 0.319 4.658 4.340 -0.001 0.000 0.284 565 R C -1.031 175.403 176.300 0.223 0.000 0.998 565 R CA -0.684 55.568 56.100 0.252 0.000 0.895 565 R CB 1.425 31.801 30.300 0.126 0.000 1.195 565 R HN 0.491 nan 8.270 nan 0.000 0.450 566 E N 2.613 122.920 120.200 0.179 0.000 2.195 566 E HA 0.264 4.613 4.350 -0.001 0.000 0.271 566 E C -1.247 175.401 176.600 0.080 0.000 0.923 566 E CA -0.863 55.619 56.400 0.137 0.000 0.790 566 E CB 2.494 32.269 29.700 0.124 0.000 1.155 566 E HN 0.407 nan 8.360 nan 0.000 0.402 567 Q N 2.928 122.752 119.800 0.041 0.000 2.386 567 Q HA 0.259 4.598 4.340 -0.001 0.000 0.274 567 Q C -1.531 174.430 176.000 -0.066 0.000 1.011 567 Q CA -0.592 55.206 55.803 -0.007 0.000 0.867 567 Q CB 1.530 30.255 28.738 -0.022 0.000 1.409 567 Q HN 0.563 nan 8.270 nan 0.000 0.395 568 L N 3.041 124.220 121.223 -0.073 0.000 2.426 568 L HA 0.388 4.727 4.340 -0.001 0.000 0.271 568 L C 0.196 176.933 176.870 -0.221 0.000 1.169 568 L CA -0.408 54.349 54.840 -0.137 0.000 0.836 568 L CB 0.710 42.724 42.059 -0.076 0.000 1.112 568 L HN 0.485 nan 8.230 nan 0.000 0.465 569 V N -0.780 118.897 119.914 -0.396 0.000 2.823 569 V HA 0.655 4.774 4.120 -0.001 0.000 0.312 569 V C -0.910 174.913 176.094 -0.452 0.000 1.072 569 V CA -0.875 61.153 62.300 -0.454 0.000 0.937 569 V CB 2.087 33.600 31.823 -0.518 0.000 1.013 569 V HN 0.790 nan 8.190 nan 0.000 0.430 570 D N 1.932 122.079 120.400 -0.422 0.000 2.457 570 D HA 0.640 5.279 4.640 -0.001 0.000 0.240 570 D C -1.298 174.710 176.300 -0.485 0.000 1.041 570 D CA -0.411 53.442 54.000 -0.246 0.000 0.861 570 D CB 2.477 43.236 40.800 -0.069 0.000 1.394 570 D HN 0.441 nan 8.370 nan 0.000 0.473 571 F N -0.212 119.807 119.950 0.115 0.000 2.603 571 F HA 0.347 4.874 4.527 -0.001 0.000 0.317 571 F C -0.535 175.442 175.800 0.295 0.000 1.066 571 F CA -1.049 57.036 58.000 0.140 0.000 0.941 571 F CB 1.562 40.681 39.000 0.198 0.000 1.291 571 F HN 0.169 nan 8.300 nan 0.000 0.472 572 Y N 1.888 122.346 120.300 0.263 0.000 2.308 572 Y HA 0.603 5.152 4.550 -0.001 0.000 0.329 572 Y C 0.116 176.131 175.900 0.192 0.000 1.111 572 Y CA -1.549 56.652 58.100 0.169 0.000 1.179 572 Y CB 1.207 39.719 38.460 0.087 0.000 1.201 572 Y HN 0.350 nan 8.280 nan 0.000 0.483 573 V N -0.443 119.658 119.914 0.312 0.000 3.078 573 V HA 0.547 4.667 4.120 -0.001 0.000 0.311 573 V C 0.348 176.564 176.094 0.203 0.000 1.138 573 V CA -0.704 61.743 62.300 0.245 0.000 1.007 573 V CB 1.658 33.628 31.823 0.245 0.000 1.045 573 V HN 0.669 nan 8.190 nan 0.000 0.432 574 S N 0.276 116.082 115.700 0.176 0.000 2.603 574 S HA 0.224 4.693 4.470 -0.001 0.000 0.220 574 S C 0.720 175.466 174.600 0.244 0.000 0.967 574 S CA 0.561 58.852 58.200 0.151 0.000 0.920 574 S CB -0.203 63.063 63.200 0.110 0.000 0.773 574 S HN 1.504 nan 8.310 nan 0.000 0.529 575 S N 1.239 117.093 115.700 0.258 0.000 2.546 575 S HA 0.558 5.027 4.470 -0.001 0.000 0.274 575 S C -2.623 171.898 174.600 -0.132 0.000 1.121 575 S CA -1.368 56.878 58.200 0.076 0.000 0.887 575 S CB 1.988 65.225 63.200 0.060 0.000 1.094 575 S HN 0.016 nan 8.310 nan 0.000 0.474 576 P HA 0.177 nan 4.420 nan 0.000 0.241 576 P C -0.233 176.874 177.300 -0.322 0.000 1.191 576 P CA 0.306 63.012 63.100 -0.656 0.000 0.771 576 P CB -0.185 30.828 31.700 -1.144 0.000 0.929 577 F N 0.812 120.785 119.950 0.039 0.000 2.509 577 F HA 0.271 4.797 4.527 -0.001 0.000 0.344 577 F C 0.459 176.307 175.800 0.079 0.000 1.197 577 F CA -1.107 56.941 58.000 0.079 0.000 1.294 577 F CB 0.023 39.033 39.000 0.016 0.000 1.643 577 F HN -0.333 nan 8.300 nan 0.000 0.596 578 V N 0.994 121.032 119.914 0.207 0.000 2.656 578 V HA 0.671 4.791 4.120 -0.001 0.000 0.307 578 V C -0.277 175.878 176.094 0.102 0.000 1.051 578 V CA -0.831 61.552 62.300 0.139 0.000 0.893 578 V CB 2.260 34.157 31.823 0.124 0.000 0.999 578 V HN 0.504 nan 8.190 nan 0.000 0.426 579 S N 3.147 118.889 115.700 0.069 0.000 2.634 579 S HA 0.905 5.374 4.470 -0.001 0.000 0.296 579 S C -1.007 173.571 174.600 -0.038 0.000 1.104 579 S CA -0.806 57.415 58.200 0.035 0.000 0.920 579 S CB 2.138 65.377 63.200 0.064 0.000 1.111 579 S HN 0.455 nan 8.310 nan 0.000 0.493 580 V N 1.805 121.658 119.914 -0.102 0.000 2.604 580 V HA 0.785 4.904 4.120 -0.001 0.000 0.305 580 V C 0.011 176.008 176.094 -0.161 0.000 1.043 580 V CA -0.478 61.681 62.300 -0.235 0.000 0.888 580 V CB 1.643 33.120 31.823 -0.577 0.000 0.995 580 V HN 1.208 nan 8.190 nan 0.000 0.429 581 T N -0.363 114.122 114.554 -0.115 0.000 2.916 581 T HA 0.683 5.032 4.350 -0.001 0.000 0.292 581 T C -0.751 173.958 174.700 0.014 0.000 1.064 581 T CA -0.895 61.169 62.100 -0.061 0.000 1.011 581 T CB 2.077 70.901 68.868 -0.074 0.000 1.152 581 T HN 0.720 nan 8.240 nan 0.000 0.510 582 D N 0.292 120.678 120.400 -0.022 0.000 2.478 582 D HA 0.217 4.857 4.640 -0.001 0.000 0.269 582 D C 0.870 177.064 176.300 -0.177 0.000 1.232 582 D CA -1.167 52.715 54.000 -0.196 0.000 1.059 582 D CB 0.344 41.018 40.800 -0.209 0.000 1.104 582 D HN 0.405 nan 8.370 nan 0.000 0.566 583 L N -0.955 120.144 121.223 -0.207 0.000 2.599 583 L HA 0.259 4.599 4.340 -0.001 0.000 0.230 583 L C 1.660 178.469 176.870 -0.101 0.000 1.141 583 L CA 0.532 55.290 54.840 -0.136 0.000 0.877 583 L CB -0.357 41.629 42.059 -0.121 0.000 1.009 583 L HN 0.602 nan 8.230 nan 0.000 0.447 584 A N -0.873 121.890 122.820 -0.094 0.000 2.379 584 A HA 0.113 4.432 4.320 -0.001 0.000 0.236 584 A C 1.139 178.685 177.584 -0.063 0.000 1.272 584 A CA 0.335 52.330 52.037 -0.070 0.000 0.886 584 A CB -0.424 18.540 19.000 -0.061 0.000 0.962 584 A HN 0.531 nan 8.150 nan 0.000 0.504 585 N N 0.215 118.872 118.700 -0.072 0.000 2.741 585 N HA -0.150 4.589 4.740 -0.001 0.000 0.251 585 N C -1.038 174.435 175.510 -0.062 0.000 1.112 585 N CA 0.881 53.892 53.050 -0.064 0.000 0.750 585 N CB -1.997 36.459 38.487 -0.051 0.000 1.119 585 N HN 0.540 nan 8.380 nan 0.000 0.561 586 N N 1.163 119.825 118.700 -0.064 0.000 2.475 586 N HA 0.185 4.924 4.740 -0.001 0.000 0.267 586 N C -2.454 172.998 175.510 -0.098 0.000 1.169 586 N CA -0.649 52.358 53.050 -0.072 0.000 0.947 586 N CB 0.477 38.933 38.487 -0.052 0.000 1.061 586 N HN 0.290 nan 8.380 nan 0.000 0.466 587 P HA 0.016 nan 4.420 nan 0.000 0.266 587 P C -0.470 176.697 177.300 -0.222 0.000 1.195 587 P CA 0.071 63.002 63.100 -0.283 0.000 0.768 587 P CB 0.683 31.956 31.700 -0.710 0.000 0.838 588 V N 2.873 122.697 119.914 -0.150 0.000 2.487 588 V HA 0.203 4.322 4.120 -0.001 0.000 0.298 588 V C 0.326 176.403 176.094 -0.028 0.000 1.028 588 V CA -0.775 61.490 62.300 -0.057 0.000 0.860 588 V CB 1.494 33.298 31.823 -0.032 0.000 0.991 588 V HN 0.524 nan 8.190 nan 0.000 0.427 589 E N 2.965 123.190 120.200 0.043 0.000 2.415 589 E HA 0.446 4.796 4.350 -0.001 0.000 0.263 589 E C -0.194 176.474 176.600 0.114 0.000 0.995 589 E CA 0.091 56.551 56.400 0.099 0.000 0.915 589 E CB 0.871 30.636 29.700 0.109 0.000 0.951 589 E HN 0.872 nan 8.360 nan 0.000 0.449 590 A N 4.351 127.228 122.820 0.095 0.000 2.479 590 A HA 0.457 4.776 4.320 -0.001 0.000 0.296 590 A C -1.225 176.383 177.584 0.041 0.000 1.121 590 A CA -0.696 51.410 52.037 0.115 0.000 0.743 590 A CB 1.950 21.005 19.000 0.092 0.000 1.323 590 A HN 0.664 nan 8.150 nan 0.000 0.415 591 Q N 0.708 120.540 119.800 0.053 0.000 2.331 591 Q HA 0.636 4.975 4.340 -0.001 0.000 0.272 591 Q C -2.108 173.890 176.000 -0.003 0.000 1.062 591 Q CA -0.540 55.251 55.803 -0.020 0.000 0.806 591 Q CB 2.253 31.014 28.738 0.038 0.000 1.312 591 Q HN 0.568 nan 8.270 nan 0.000 0.431 592 V N 2.648 122.491 119.914 -0.117 0.000 2.435 592 V HA 0.559 4.678 4.120 -0.001 0.000 0.290 592 V C -0.518 175.748 176.094 0.286 0.000 1.030 592 V CA -0.294 62.042 62.300 0.060 0.000 0.881 592 V CB 1.788 33.611 31.823 0.001 0.000 0.983 592 V HN 0.837 nan 8.190 nan 0.000 0.445 593 S N 5.377 121.270 115.700 0.321 0.000 2.634 593 S HA 0.687 5.156 4.470 -0.001 0.000 0.296 593 S C -2.723 171.923 174.600 0.077 0.000 1.104 593 S CA -1.194 57.176 58.200 0.284 0.000 0.920 593 S CB 2.351 65.670 63.200 0.198 0.000 1.111 593 S HN 0.542 nan 8.310 nan 0.000 0.493 594 P HA 0.201 nan 4.420 nan 0.000 0.272 594 P C -1.149 175.814 177.300 -0.563 0.000 1.240 594 P CA -0.475 62.221 63.100 -0.672 0.000 0.791 594 P CB 0.336 31.232 31.700 -1.339 0.000 0.978 595 V N 1.650 121.168 119.914 -0.659 0.000 2.368 595 V HA 0.185 4.305 4.120 -0.001 0.000 0.266 595 V C -0.479 175.286 176.094 -0.548 0.000 1.045 595 V CA -0.169 61.812 62.300 -0.530 0.000 0.899 595 V CB -0.468 30.951 31.823 -0.672 0.000 1.006 595 V HN 0.520 nan 8.190 nan 0.000 0.470 596 W N 3.471 124.680 121.300 -0.153 0.000 2.478 596 W HA 0.645 5.305 4.660 -0.001 0.000 0.318 596 W C 0.420 176.862 176.519 -0.128 0.000 1.062 596 W CA -0.376 56.864 57.345 -0.176 0.000 1.210 596 W CB 1.912 31.282 29.460 -0.150 0.000 1.325 596 W HN 0.595 nan 8.180 nan 0.000 0.496 597 S N 1.297 117.030 115.700 0.056 0.000 2.568 597 S HA 0.647 5.116 4.470 -0.001 0.000 0.293 597 S C -1.469 172.956 174.600 -0.291 0.000 1.089 597 S CA -0.966 57.210 58.200 -0.040 0.000 0.945 597 S CB 1.420 64.564 63.200 -0.094 0.000 1.077 597 S HN 0.423 nan 8.310 nan 0.000 0.485 598 W N 0.460 121.534 121.300 -0.376 0.000 2.570 598 W HA 0.631 5.290 4.660 -0.001 0.000 0.337 598 W C -0.101 176.068 176.519 -0.583 0.000 1.067 598 W CA -0.159 56.980 57.345 -0.344 0.000 1.229 598 W CB 1.233 30.593 29.460 -0.167 0.000 1.355 598 W HN 0.781 nan 8.180 nan 0.000 0.555 599 H N 0.045 119.206 119.070 0.152 0.000 2.856 599 H HA 0.145 4.700 4.556 -0.001 0.000 0.355 599 H C -1.026 174.428 175.328 0.210 0.000 1.079 599 H CA -1.035 55.068 56.048 0.093 0.000 1.240 599 H CB 1.577 31.296 29.762 -0.072 0.000 1.701 599 H HN 0.323 nan 8.280 nan 0.000 0.527 600 H N 2.087 121.294 119.070 0.229 0.000 2.934 600 H HA 0.088 4.644 4.556 -0.001 0.000 0.273 600 H C -0.657 174.785 175.328 0.190 0.000 1.121 600 H CA -0.696 55.467 56.048 0.191 0.000 1.451 600 H CB 0.216 30.049 29.762 0.118 0.000 1.469 600 H HN 0.520 nan 8.280 nan 0.000 0.476 601 D N 3.772 124.213 120.400 0.068 0.000 2.422 601 D HA -0.013 4.626 4.640 -0.001 0.000 0.227 601 D C 0.910 177.002 176.300 -0.346 0.000 1.190 601 D CA -0.018 53.960 54.000 -0.037 0.000 0.905 601 D CB 0.322 41.253 40.800 0.219 0.000 1.034 601 D HN 0.727 nan 8.370 nan 0.000 0.507 602 T N 0.894 115.149 114.554 -0.499 0.000 3.163 602 T HA -0.083 4.267 4.350 -0.001 0.000 0.260 602 T C 1.547 176.162 174.700 -0.142 0.000 1.156 602 T CA 0.140 62.007 62.100 -0.388 0.000 1.072 602 T CB 0.011 68.739 68.868 -0.234 0.000 0.937 602 T HN 0.199 nan 8.240 nan 0.000 0.528 603 L N 2.185 123.344 121.223 -0.107 0.000 2.130 603 L HA 0.194 4.533 4.340 -0.001 0.000 0.200 603 L C 2.852 179.698 176.870 -0.040 0.000 1.075 603 L CA 1.877 56.684 54.840 -0.055 0.000 0.768 603 L CB -0.895 41.138 42.059 -0.044 0.000 0.933 603 L HN 0.525 nan 8.230 nan 0.000 0.451 604 T N -4.274 110.253 114.554 -0.046 0.000 3.107 604 T HA 0.033 4.382 4.350 -0.001 0.000 0.249 604 T C 0.591 175.292 174.700 0.003 0.000 1.096 604 T CA -0.303 61.772 62.100 -0.040 0.000 1.012 604 T CB -0.064 68.746 68.868 -0.097 0.000 0.977 604 T HN 0.136 nan 8.240 nan 0.000 0.527 605 K N 2.162 122.587 120.400 0.041 0.000 3.148 605 K HA -0.135 4.184 4.320 -0.001 0.000 0.267 605 K C 0.096 176.802 176.600 0.177 0.000 0.996 605 K CA 1.266 57.650 56.287 0.162 0.000 0.737 605 K CB -2.834 29.740 32.500 0.124 0.000 1.308 605 K HN 0.871 nan 8.250 nan 0.000 0.470 606 T N -2.745 111.917 114.554 0.180 0.000 2.916 606 T HA 0.789 5.138 4.350 -0.001 0.000 0.292 606 T C 0.297 175.216 174.700 0.366 0.000 1.055 606 T CA -1.063 61.150 62.100 0.188 0.000 1.009 606 T CB 2.137 71.031 68.868 0.043 0.000 1.118 606 T HN 0.145 nan 8.240 nan 0.000 0.497 607 I N 3.051 123.831 120.570 0.351 0.000 2.330 607 I HA 0.497 4.667 4.170 -0.001 0.000 0.289 607 I C -0.025 176.441 176.117 0.581 0.000 1.001 607 I CA -0.564 61.004 61.300 0.447 0.000 1.193 607 I CB 0.552 38.726 38.000 0.290 0.000 1.345 607 I HN 0.935 nan 8.210 nan 0.000 0.461 608 H N 5.927 125.177 119.070 0.301 0.000 3.016 608 H HA 0.645 5.201 4.556 -0.001 0.000 0.362 608 H C -3.133 171.978 175.328 -0.362 0.000 1.233 608 H CA -2.375 53.668 56.048 -0.009 0.000 1.124 608 H CB 2.042 31.806 29.762 0.003 0.000 1.850 608 H HN 0.147 nan 8.280 nan 0.000 0.549 609 P HA 0.168 nan 4.420 nan 0.000 0.288 609 P C -0.980 176.114 177.300 -0.343 0.000 1.267 609 P CA -0.605 61.858 63.100 -1.062 0.000 0.815 609 P CB 1.660 32.521 31.700 -1.398 0.000 0.989 610 Q N 1.076 120.815 119.800 -0.102 0.000 2.312 610 Q HA 0.551 4.891 4.340 -0.001 0.000 0.263 610 Q C 0.256 176.286 176.000 0.050 0.000 0.995 610 Q CA -0.473 55.357 55.803 0.045 0.000 0.853 610 Q CB 2.534 31.302 28.738 0.050 0.000 1.300 610 Q HN 0.573 nan 8.270 nan 0.000 0.448 611 G N 0.871 109.591 108.800 -0.133 0.000 2.332 611 G HA2 0.280 4.240 3.960 -0.001 0.000 0.310 611 G HA3 0.280 4.240 3.960 -0.001 0.000 0.310 611 G C -0.122 174.515 174.900 -0.439 0.000 1.123 611 G CA -0.321 44.380 45.100 -0.665 0.000 0.873 611 G HN 0.459 nan 8.290 nan 0.000 0.460 612 S N 0.378 115.777 115.700 -0.503 0.000 2.552 612 S HA 0.172 4.641 4.470 -0.001 0.000 0.289 612 S C 1.718 176.071 174.600 -0.413 0.000 1.304 612 S CA 0.479 58.422 58.200 -0.428 0.000 1.063 612 S CB 0.598 63.485 63.200 -0.521 0.000 0.848 612 S HN 0.934 nan 8.310 nan 0.000 0.499 613 T N 0.137 114.521 114.554 -0.283 0.000 3.040 613 T HA 0.113 4.463 4.350 -0.001 0.000 0.250 613 T C 1.170 175.759 174.700 -0.186 0.000 1.058 613 T CA 0.564 62.558 62.100 -0.176 0.000 0.988 613 T CB -0.197 68.622 68.868 -0.082 0.000 0.993 613 T HN 0.698 nan 8.240 nan 0.000 0.519 614 T N -1.779 112.586 114.554 -0.314 0.000 3.043 614 T HA 0.443 4.792 4.350 -0.001 0.000 0.272 614 T C 0.165 174.643 174.700 -0.369 0.000 0.990 614 T CA -0.528 61.432 62.100 -0.234 0.000 0.897 614 T CB 0.250 69.033 68.868 -0.142 0.000 1.111 614 T HN 0.265 nan 8.240 nan 0.000 0.529 615 K N 0.381 120.319 120.400 -0.770 0.000 2.527 615 K HA 0.629 4.949 4.320 -0.001 0.000 0.260 615 K C -1.972 173.850 176.600 -1.296 0.000 0.937 615 K CA -0.782 55.051 56.287 -0.758 0.000 0.826 615 K CB 2.346 34.536 32.500 -0.517 0.000 1.359 615 K HN 0.107 nan 8.250 nan 0.000 0.434 616 Y N -0.171 120.027 120.300 -0.170 0.000 2.638 616 Y HA 0.487 5.036 4.550 -0.001 0.000 0.339 616 Y C -0.300 175.562 175.900 -0.062 0.000 1.084 616 Y CA -1.145 56.871 58.100 -0.139 0.000 1.068 616 Y CB 1.707 40.166 38.460 -0.001 0.000 1.294 616 Y HN 0.216 nan 8.280 nan 0.000 0.480 617 R N 1.493 122.089 120.500 0.161 0.000 2.295 617 R HA 0.569 4.908 4.340 -0.001 0.000 0.324 617 R C -1.320 175.138 176.300 0.263 0.000 0.968 617 R CA -0.630 55.615 56.100 0.242 0.000 0.837 617 R CB 1.417 31.837 30.300 0.201 0.000 1.133 617 R HN 0.681 nan 8.270 nan 0.000 0.450 618 I N 4.616 125.370 120.570 0.306 0.000 2.392 618 I HA 0.422 4.591 4.170 -0.001 0.000 0.295 618 I C -1.011 175.288 176.117 0.304 0.000 0.985 618 I CA -0.743 60.730 61.300 0.289 0.000 1.221 618 I CB 1.069 39.255 38.000 0.309 0.000 1.366 618 I HN 0.545 nan 8.210 nan 0.000 0.467 619 I N 7.868 128.589 120.570 0.251 0.000 2.545 619 I HA 0.504 4.673 4.170 -0.001 0.000 0.292 619 I C -1.007 175.263 176.117 0.254 0.000 1.040 619 I CA -0.447 60.948 61.300 0.158 0.000 1.068 619 I CB 1.732 39.785 38.000 0.090 0.000 1.251 619 I HN 0.488 nan 8.210 nan 0.000 0.424 620 F N 2.478 122.451 119.950 0.039 0.000 2.713 620 F HA 0.589 5.115 4.527 -0.001 0.000 0.311 620 F C -1.037 174.744 175.800 -0.032 0.000 1.141 620 F CA -1.319 56.679 58.000 -0.002 0.000 0.939 620 F CB 1.304 40.286 39.000 -0.030 0.000 1.325 620 F HN 0.208 nan 8.300 nan 0.000 0.453 621 K N 1.929 122.428 120.400 0.165 0.000 2.285 621 K HA 0.731 5.051 4.320 -0.001 0.000 0.286 621 K C -0.598 176.049 176.600 0.078 0.000 1.072 621 K CA -0.324 55.995 56.287 0.053 0.000 0.913 621 K CB 0.827 33.387 32.500 0.101 0.000 1.067 621 K HN 0.929 nan 8.250 nan 0.000 0.479 622 A N 4.560 127.337 122.820 -0.071 0.000 2.310 622 A HA 0.421 4.741 4.320 -0.001 0.000 0.299 622 A C -0.624 177.097 177.584 0.227 0.000 1.147 622 A CA -0.645 51.418 52.037 0.044 0.000 0.818 622 A CB 0.657 19.655 19.000 -0.002 0.000 1.096 622 A HN 0.873 nan 8.150 nan 0.000 0.495 623 R N 1.820 122.570 120.500 0.416 0.000 2.439 623 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 623 R C -1.925 174.633 176.300 0.430 0.000 0.955 623 R CA -0.244 56.083 56.100 0.379 0.000 0.853 623 R CB 1.400 31.905 30.300 0.341 0.000 1.171 623 R HN 0.504 nan 8.270 nan 0.000 0.449 624 V N 6.097 126.225 119.914 0.357 0.000 2.709 624 V HA 0.467 4.586 4.120 -0.001 0.000 0.308 624 V C -2.275 173.734 176.094 -0.141 0.000 1.062 624 V CA -2.266 60.140 62.300 0.176 0.000 0.901 624 V CB 1.928 33.823 31.823 0.120 0.000 1.003 624 V HN 0.786 nan 8.190 nan 0.000 0.425 625 P HA 0.245 nan 4.420 nan 0.000 0.271 625 P C -2.769 174.037 177.300 -0.824 0.000 1.244 625 P CA -1.526 60.696 63.100 -1.463 0.000 0.793 625 P CB -0.290 30.745 31.700 -1.108 0.000 0.984 626 P HA 0.090 nan 4.420 nan 0.000 0.264 626 P C 0.104 177.350 177.300 -0.091 0.000 1.193 626 P CA 0.579 63.477 63.100 -0.338 0.000 0.763 626 P CB -0.244 31.329 31.700 -0.212 0.000 0.810 627 M N 0.383 119.972 119.600 -0.017 0.000 2.253 627 M HA -0.216 4.264 4.480 -0.001 0.000 0.199 627 M C 0.561 177.042 176.300 0.303 0.000 0.342 627 M CA 0.975 56.403 55.300 0.213 0.000 0.417 627 M CB -1.997 30.811 32.600 0.346 0.000 1.338 627 M HN 0.602 nan 8.290 nan 0.000 0.920 628 G N -0.277 108.562 108.800 0.065 0.000 3.086 628 G HA2 0.934 4.893 3.960 -0.001 0.000 0.282 628 G HA3 0.934 4.893 3.960 -0.001 0.000 0.282 628 G C -1.395 173.614 174.900 0.182 0.000 1.343 628 G CA -0.965 44.131 45.100 -0.006 0.000 0.895 628 G HN 0.183 nan 8.290 nan 0.000 0.557 629 L N -0.563 120.752 121.223 0.154 0.000 2.393 629 L HA 0.815 5.155 4.340 -0.001 0.000 0.260 629 L C -0.280 176.679 176.870 0.148 0.000 1.002 629 L CA -1.033 53.937 54.840 0.216 0.000 0.818 629 L CB 2.479 44.677 42.059 0.231 0.000 1.369 629 L HN 0.804 nan 8.230 nan 0.000 0.412 630 A N 0.695 123.642 122.820 0.211 0.000 2.455 630 A HA 0.814 5.133 4.320 -0.001 0.000 0.300 630 A C -0.881 176.834 177.584 0.220 0.000 1.040 630 A CA -0.443 51.697 52.037 0.171 0.000 0.697 630 A CB 1.837 20.976 19.000 0.231 0.000 1.265 630 A HN 0.544 nan 8.150 nan 0.000 0.407 631 T N 1.829 116.411 114.554 0.047 0.000 2.859 631 T HA 0.676 5.025 4.350 -0.001 0.000 0.281 631 T C -1.089 173.519 174.700 -0.152 0.000 1.005 631 T CA 0.157 62.351 62.100 0.157 0.000 1.025 631 T CB 0.499 69.482 68.868 0.191 0.000 0.977 631 T HN 0.444 nan 8.240 nan 0.000 0.458 632 Y N 0.181 120.602 120.300 0.203 0.000 2.634 632 Y HA 0.678 5.228 4.550 -0.001 0.000 0.340 632 Y C -0.399 175.466 175.900 -0.059 0.000 1.058 632 Y CA -1.099 57.031 58.100 0.050 0.000 1.081 632 Y CB 1.818 40.322 38.460 0.073 0.000 1.295 632 Y HN 0.311 nan 8.280 nan 0.000 0.487 633 V N 3.053 122.954 119.914 -0.022 0.000 2.588 633 V HA 0.411 4.530 4.120 -0.001 0.000 0.304 633 V C -0.821 175.206 176.094 -0.112 0.000 1.042 633 V CA -0.949 61.256 62.300 -0.159 0.000 0.877 633 V CB 1.829 33.480 31.823 -0.287 0.000 0.996 633 V HN 0.494 nan 8.190 nan 0.000 0.425 634 L N 4.022 125.200 121.223 -0.075 0.000 2.282 634 L HA 0.661 5.000 4.340 -0.001 0.000 0.288 634 L C -0.062 176.806 176.870 -0.003 0.000 1.033 634 L CA -0.075 54.740 54.840 -0.042 0.000 0.807 634 L CB 1.716 43.771 42.059 -0.006 0.000 1.209 634 L HN 0.614 nan 8.230 nan 0.000 0.423 635 T N 3.724 118.284 114.554 0.010 0.000 2.861 635 T HA 0.450 4.799 4.350 -0.001 0.000 0.287 635 T C -0.220 174.519 174.700 0.066 0.000 1.003 635 T CA -0.402 61.718 62.100 0.033 0.000 0.977 635 T CB 2.384 71.261 68.868 0.016 0.000 0.996 635 T HN 0.383 nan 8.240 nan 0.000 0.448 636 I N 3.058 123.677 120.570 0.081 0.000 2.662 636 I HA 0.519 4.689 4.170 -0.001 0.000 0.291 636 I C 0.354 176.534 176.117 0.105 0.000 1.046 636 I CA 0.269 61.636 61.300 0.112 0.000 1.361 636 I CB 0.687 38.757 38.000 0.116 0.000 1.429 636 I HN 0.843 nan 8.210 nan 0.000 0.558 637 S N 3.030 118.814 115.700 0.140 0.000 2.732 637 S HA 0.395 4.864 4.470 -0.001 0.000 0.293 637 S C -0.244 174.403 174.600 0.077 0.000 1.159 637 S CA -0.428 57.824 58.200 0.087 0.000 0.847 637 S CB 1.498 64.731 63.200 0.056 0.000 1.169 637 S HN 0.690 nan 8.310 nan 0.000 0.501 638 D N -0.130 120.253 120.400 -0.028 0.000 2.349 638 D HA 0.205 4.844 4.640 -0.001 0.000 0.214 638 D C 0.674 176.730 176.300 -0.408 0.000 1.063 638 D CA 0.237 54.175 54.000 -0.104 0.000 0.847 638 D CB -0.165 40.596 40.800 -0.066 0.000 0.933 638 D HN 0.579 nan 8.370 nan 0.000 0.513 639 S N -1.277 114.141 115.700 -0.471 0.000 2.720 639 S HA 0.393 4.863 4.470 -0.001 0.000 0.287 639 S C -0.492 173.782 174.600 -0.544 0.000 1.168 639 S CA -1.209 56.534 58.200 -0.762 0.000 0.832 639 S CB 1.505 64.468 63.200 -0.395 0.000 1.166 639 S HN -0.070 nan 8.310 nan 0.000 0.493 640 K N 1.926 122.096 120.400 -0.385 0.000 2.440 640 K HA 0.107 4.426 4.320 -0.001 0.000 0.275 640 K C -2.418 174.232 176.600 0.083 0.000 1.082 640 K CA -0.377 55.957 56.287 0.079 0.000 1.135 640 K CB -0.733 31.839 32.500 0.120 0.000 0.864 640 K HN 0.372 nan 8.250 nan 0.000 0.479 641 P HA -0.005 nan 4.420 nan 0.000 0.275 641 P C 0.606 177.937 177.300 0.053 0.000 1.228 641 P CA -0.287 62.873 63.100 0.100 0.000 0.786 641 P CB 0.742 32.520 31.700 0.131 0.000 0.927 642 E N 1.396 121.589 120.200 -0.011 0.000 2.097 642 E HA -0.271 4.078 4.350 -0.001 0.000 0.196 642 E C 0.206 176.646 176.600 -0.266 0.000 1.000 642 E CA 1.530 57.832 56.400 -0.163 0.000 0.804 642 E CB -0.124 29.411 29.700 -0.274 0.000 0.740 642 E HN 0.576 nan 8.360 nan 0.000 0.454 643 H N -1.124 117.956 119.070 0.017 0.000 2.505 643 H HA 0.255 4.811 4.556 -0.001 0.000 0.286 643 H C -0.847 174.475 175.328 -0.011 0.000 1.072 643 H CA 0.088 56.140 56.048 0.007 0.000 1.141 643 H CB 0.940 30.705 29.762 0.005 0.000 1.550 643 H HN -0.113 nan 8.280 nan 0.000 0.547 644 T N 0.864 115.442 114.554 0.041 0.000 2.792 644 T HA 0.376 4.725 4.350 -0.001 0.000 0.280 644 T C 0.067 174.642 174.700 -0.209 0.000 0.990 644 T CA -0.886 61.167 62.100 -0.078 0.000 0.960 644 T CB 1.466 70.277 68.868 -0.095 0.000 0.939 644 T HN 0.331 nan 8.240 nan 0.000 0.439 645 S N 2.495 118.039 115.700 -0.261 0.000 2.722 645 S HA 0.746 5.216 4.470 -0.001 0.000 0.292 645 S C -1.266 172.994 174.600 -0.566 0.000 1.135 645 S CA -0.786 57.268 58.200 -0.243 0.000 1.003 645 S CB 0.714 63.884 63.200 -0.051 0.000 1.067 645 S HN 0.564 nan 8.310 nan 0.000 0.546 646 Y N 0.059 120.368 120.300 0.015 0.000 2.376 646 Y HA 0.641 5.190 4.550 -0.001 0.000 0.340 646 Y C 0.612 176.571 175.900 0.098 0.000 0.965 646 Y CA -0.804 57.294 58.100 -0.003 0.000 1.078 646 Y CB 1.552 39.872 38.460 -0.232 0.000 1.193 646 Y HN 1.023 nan 8.280 nan 0.000 0.452 647 A N 2.079 125.091 122.820 0.319 0.000 2.445 647 A HA 0.459 4.778 4.320 -0.001 0.000 0.242 647 A C 0.322 178.101 177.584 0.326 0.000 1.075 647 A CA -0.289 51.918 52.037 0.283 0.000 0.777 647 A CB -0.114 19.052 19.000 0.278 0.000 1.013 647 A HN 0.772 nan 8.150 nan 0.000 0.493 648 S N 2.268 118.096 115.700 0.214 0.000 2.610 648 S HA 0.520 4.990 4.470 -0.001 0.000 0.273 648 S C -0.339 174.355 174.600 0.157 0.000 1.274 648 S CA -0.874 57.439 58.200 0.188 0.000 1.023 648 S CB 0.732 64.001 63.200 0.116 0.000 0.962 648 S HN 0.691 nan 8.310 nan 0.000 0.523 649 N N 0.651 119.426 118.700 0.125 0.000 2.249 649 N HA 0.509 5.248 4.740 -0.001 0.000 0.296 649 N C -1.935 173.518 175.510 -0.094 0.000 1.051 649 N CA -0.542 52.535 53.050 0.045 0.000 0.815 649 N CB 2.041 40.635 38.487 0.177 0.000 1.487 649 N HN 0.593 nan 8.380 nan 0.000 0.475 650 L N 2.443 123.565 121.223 -0.169 0.000 2.406 650 L HA 0.486 4.826 4.340 -0.001 0.000 0.272 650 L C -1.578 175.136 176.870 -0.260 0.000 0.980 650 L CA -0.517 54.196 54.840 -0.212 0.000 0.831 650 L CB 1.588 43.579 42.059 -0.113 0.000 1.253 650 L HN 0.437 nan 8.230 nan 0.000 0.406 651 L N 6.712 127.736 121.223 -0.332 0.000 2.276 651 L HA 0.470 4.809 4.340 -0.001 0.000 0.286 651 L C -1.250 175.592 176.870 -0.048 0.000 1.024 651 L CA -0.436 54.267 54.840 -0.228 0.000 0.826 651 L CB 1.259 43.170 42.059 -0.248 0.000 1.211 651 L HN 0.690 nan 8.230 nan 0.000 0.422 652 L N 7.201 128.415 121.223 -0.015 0.000 2.262 652 L HA 0.560 4.900 4.340 -0.001 0.000 0.288 652 L C -0.094 176.818 176.870 0.069 0.000 1.035 652 L CA -0.400 54.463 54.840 0.038 0.000 0.820 652 L CB 0.866 42.940 42.059 0.025 0.000 1.204 652 L HN 0.641 nan 8.230 nan 0.000 0.424 653 R N 2.039 122.594 120.500 0.090 0.000 2.739 653 R HA 0.400 4.740 4.340 -0.001 0.000 0.266 653 R C -1.656 174.686 176.300 0.070 0.000 1.044 653 R CA -1.108 55.041 56.100 0.081 0.000 0.885 653 R CB 1.282 31.634 30.300 0.086 0.000 1.260 653 R HN 0.231 nan 8.270 nan 0.000 0.477 654 K N 1.785 122.215 120.400 0.049 0.000 2.295 654 K HA 0.168 4.487 4.320 -0.001 0.000 0.270 654 K C -0.432 176.176 176.600 0.014 0.000 1.011 654 K CA -0.324 55.982 56.287 0.032 0.000 0.953 654 K CB 0.320 32.835 32.500 0.026 0.000 0.956 654 K HN 0.764 nan 8.250 nan 0.000 0.477 655 N N 0.916 119.615 118.700 -0.002 0.000 2.671 655 N HA -0.116 4.624 4.740 -0.001 0.000 0.261 655 N C -2.503 172.976 175.510 -0.051 0.000 1.053 655 N CA 0.335 53.367 53.050 -0.030 0.000 0.732 655 N CB -1.517 36.952 38.487 -0.031 0.000 0.887 655 N HN 0.511 nan 8.380 nan 0.000 0.546 656 P HA 0.254 nan 4.420 nan 0.000 0.276 656 P C 0.104 177.260 177.300 -0.241 0.000 1.244 656 P CA 0.043 63.070 63.100 -0.121 0.000 0.801 656 P CB 0.936 32.541 31.700 -0.158 0.000 1.006 657 T N -2.538 111.877 114.554 -0.232 0.000 2.924 657 T HA 0.481 4.830 4.350 -0.001 0.000 0.291 657 T C 0.298 174.818 174.700 -0.301 0.000 1.045 657 T CA -0.771 61.189 62.100 -0.234 0.000 1.015 657 T CB 0.695 69.507 68.868 -0.094 0.000 1.103 657 T HN 0.489 nan 8.240 nan 0.000 0.496 658 S N 0.893 116.455 115.700 -0.230 0.000 2.569 658 S HA 0.354 4.823 4.470 -0.001 0.000 0.274 658 S C -0.188 174.523 174.600 0.185 0.000 1.353 658 S CA -0.705 57.458 58.200 -0.061 0.000 1.023 658 S CB -0.321 62.868 63.200 -0.017 0.000 0.876 658 S HN 0.697 nan 8.310 nan 0.000 0.540 659 L N 2.351 123.790 121.223 0.360 0.000 2.489 659 L HA 0.381 4.720 4.340 -0.001 0.000 0.257 659 L C -2.364 174.624 176.870 0.198 0.000 1.215 659 L CA -1.571 53.450 54.840 0.302 0.000 0.915 659 L CB 1.840 44.157 42.059 0.431 0.000 1.146 659 L HN 0.616 nan 8.230 nan 0.000 0.494 660 P HA 0.216 nan 4.420 nan 0.000 0.275 660 P C -0.229 177.073 177.300 0.003 0.000 1.228 660 P CA -0.234 62.907 63.100 0.069 0.000 0.786 660 P CB 1.670 33.399 31.700 0.049 0.000 0.927 661 L N 1.466 122.700 121.223 0.018 0.000 3.186 661 L HA 0.270 4.609 4.340 -0.001 0.000 0.292 661 L C 1.545 178.484 176.870 0.114 0.000 1.303 661 L CA -0.270 54.558 54.840 -0.020 0.000 0.940 661 L CB -0.036 41.994 42.059 -0.049 0.000 1.358 661 L HN 0.700 nan 8.230 nan 0.000 0.581 662 G N 1.117 109.960 108.800 0.072 0.000 2.702 662 G HA2 -0.428 3.531 3.960 -0.001 0.000 0.342 662 G HA3 -0.428 3.531 3.960 -0.001 0.000 0.342 662 G C 0.696 175.671 174.900 0.126 0.000 1.258 662 G CA 0.967 46.136 45.100 0.114 0.000 0.990 662 G HN 0.530 nan 8.290 nan 0.000 0.548 663 Q N -0.473 119.408 119.800 0.136 0.000 2.451 663 Q HA 0.189 4.528 4.340 -0.001 0.000 0.206 663 Q C 0.697 176.573 176.000 -0.206 0.000 0.947 663 Q CA 0.025 55.801 55.803 -0.044 0.000 0.937 663 Q CB 0.306 28.946 28.738 -0.164 0.000 1.025 663 Q HN 0.518 nan 8.270 nan 0.000 0.511 664 Y N 4.093 124.221 120.300 -0.286 0.000 2.802 664 Y HA -0.052 4.497 4.550 -0.001 0.000 0.333 664 Y C -1.403 174.354 175.900 -0.239 0.000 1.244 664 Y CA -1.532 56.359 58.100 -0.348 0.000 1.558 664 Y CB 0.787 39.182 38.460 -0.108 0.000 1.233 664 Y HN 0.067 nan 8.280 nan 0.000 0.547 665 P HA -0.054 nan 4.420 nan 0.000 0.247 665 P C -0.731 176.403 177.300 -0.278 0.000 1.225 665 P CA 0.744 63.575 63.100 -0.448 0.000 0.768 665 P CB 0.291 31.612 31.700 -0.632 0.000 1.020 666 E N 0.586 120.684 120.200 -0.169 0.000 2.260 666 E HA 0.226 4.575 4.350 -0.001 0.000 0.266 666 E C -1.019 175.703 176.600 0.203 0.000 0.887 666 E CA -0.655 55.765 56.400 0.032 0.000 0.777 666 E CB 0.829 30.576 29.700 0.078 0.000 1.205 666 E HN -0.184 nan 8.360 nan 0.000 0.414 667 D N 2.418 122.897 120.400 0.133 0.000 2.382 667 D HA 0.098 4.737 4.640 -0.001 0.000 0.245 667 D C -0.008 176.368 176.300 0.126 0.000 1.120 667 D CA -0.083 54.002 54.000 0.143 0.000 0.890 667 D CB 1.207 42.078 40.800 0.118 0.000 1.201 667 D HN 0.174 nan 8.370 nan 0.000 0.433 668 V N 3.282 123.258 119.914 0.103 0.000 2.740 668 V HA 0.020 4.139 4.120 -0.001 0.000 0.303 668 V C 0.855 176.805 176.094 -0.241 0.000 1.054 668 V CA 0.058 62.319 62.300 -0.065 0.000 1.106 668 V CB 0.710 32.472 31.823 -0.101 0.000 0.957 668 V HN 0.315 nan 8.190 nan 0.000 0.486 669 K N 3.008 123.198 120.400 -0.350 0.000 2.166 669 K HA 0.668 4.987 4.320 -0.001 0.000 0.245 669 K C -1.056 175.132 176.600 -0.687 0.000 0.967 669 K CA -0.377 55.726 56.287 -0.306 0.000 0.863 669 K CB 1.873 34.315 32.500 -0.096 0.000 1.107 669 K HN 0.421 nan 8.250 nan 0.000 0.436 670 F N -1.040 118.926 119.950 0.027 0.000 2.588 670 F HA 0.669 5.196 4.527 -0.001 0.000 0.314 670 F C 0.572 176.381 175.800 0.016 0.000 1.069 670 F CA -0.675 57.334 58.000 0.016 0.000 0.931 670 F CB 2.682 41.692 39.000 0.017 0.000 1.260 670 F HN 0.592 nan 8.300 nan 0.000 0.465 671 G N 0.373 109.279 108.800 0.177 0.000 2.601 671 G HA2 0.409 4.368 3.960 -0.001 0.000 0.291 671 G HA3 0.409 4.368 3.960 -0.001 0.000 0.291 671 G C -2.116 172.839 174.900 0.093 0.000 1.456 671 G CA -0.851 44.314 45.100 0.108 0.000 0.804 671 G HN 0.376 nan 8.290 nan 0.000 0.499 672 D N 0.682 121.124 120.400 0.070 0.000 2.357 672 D HA 0.367 5.006 4.640 -0.001 0.000 0.242 672 D C -2.025 174.308 176.300 0.055 0.000 1.153 672 D CA -0.640 53.396 54.000 0.059 0.000 0.918 672 D CB 1.006 41.834 40.800 0.047 0.000 1.181 672 D HN -0.004 nan 8.370 nan 0.000 0.435 673 P HA 0.076 nan 4.420 nan 0.000 0.264 673 P C -0.406 176.925 177.300 0.053 0.000 1.183 673 P CA 0.396 63.530 63.100 0.055 0.000 0.763 673 P CB 0.394 32.129 31.700 0.058 0.000 0.807 674 R N 0.445 120.979 120.500 0.057 0.000 2.690 674 R HA 0.421 4.761 4.340 -0.001 0.000 0.269 674 R C -1.142 175.202 176.300 0.073 0.000 1.037 674 R CA -1.025 55.109 56.100 0.057 0.000 0.877 674 R CB 1.111 31.440 30.300 0.048 0.000 1.255 674 R HN 0.227 nan 8.270 nan 0.000 0.467 675 E N 1.692 121.937 120.200 0.074 0.000 2.392 675 E HA 0.212 4.562 4.350 -0.001 0.000 0.264 675 E C -0.007 176.657 176.600 0.106 0.000 1.024 675 E CA 0.015 56.475 56.400 0.100 0.000 0.903 675 E CB 0.739 30.482 29.700 0.073 0.000 0.963 675 E HN 0.437 nan 8.360 nan 0.000 0.432 676 I N -1.475 119.194 120.570 0.165 0.000 3.042 676 I HA 0.605 4.774 4.170 -0.001 0.000 0.310 676 I C -0.503 175.771 176.117 0.262 0.000 1.117 676 I CA -0.847 60.551 61.300 0.163 0.000 1.003 676 I CB 2.308 40.372 38.000 0.107 0.000 1.228 676 I HN 0.376 nan 8.210 nan 0.000 0.443 677 S N 3.834 119.667 115.700 0.220 0.000 2.569 677 S HA 0.870 5.339 4.470 -0.001 0.000 0.280 677 S C -1.327 173.408 174.600 0.224 0.000 1.111 677 S CA -0.638 57.714 58.200 0.253 0.000 0.887 677 S CB 1.683 64.976 63.200 0.154 0.000 1.095 677 S HN 0.788 nan 8.310 nan 0.000 0.476 678 L N 1.881 123.260 121.223 0.260 0.000 2.434 678 L HA 0.690 5.029 4.340 -0.001 0.000 0.260 678 L C -0.527 176.444 176.870 0.167 0.000 0.983 678 L CA -0.699 54.261 54.840 0.200 0.000 0.820 678 L CB 2.563 44.757 42.059 0.225 0.000 1.361 678 L HN 0.852 nan 8.230 nan 0.000 0.410 679 R N 1.867 122.439 120.500 0.121 0.000 2.512 679 R HA 0.621 4.960 4.340 -0.001 0.000 0.291 679 R C -2.003 174.344 176.300 0.079 0.000 1.097 679 R CA -0.442 55.715 56.100 0.094 0.000 0.940 679 R CB 2.120 32.467 30.300 0.078 0.000 1.198 679 R HN 0.397 nan 8.270 nan 0.000 0.429 680 V N 4.615 124.574 119.914 0.075 0.000 2.427 680 V HA 0.545 4.664 4.120 -0.001 0.000 0.286 680 V C 1.174 177.300 176.094 0.053 0.000 1.034 680 V CA 0.619 62.958 62.300 0.065 0.000 0.893 680 V CB 1.184 33.047 31.823 0.068 0.000 0.982 680 V HN 1.095 nan 8.190 nan 0.000 0.452 681 G N 5.160 113.989 108.800 0.049 0.000 2.614 681 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.303 681 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.303 681 G C 0.625 175.547 174.900 0.036 0.000 1.270 681 G CA 0.785 45.910 45.100 0.042 0.000 0.988 681 G HN 0.699 nan 8.290 nan 0.000 0.551 682 N N 2.282 121.000 118.700 0.029 0.000 2.398 682 N HA 0.227 4.966 4.740 -0.001 0.000 0.188 682 N C 1.465 176.986 175.510 0.018 0.000 1.122 682 N CA 1.139 54.203 53.050 0.022 0.000 0.866 682 N CB -0.186 38.311 38.487 0.016 0.000 0.970 682 N HN 0.848 nan 8.380 nan 0.000 0.462 683 G N 1.696 110.511 108.800 0.025 0.000 2.527 683 G HA2 0.102 4.061 3.960 -0.001 0.000 0.279 683 G HA3 0.102 4.061 3.960 -0.001 0.000 0.279 683 G C -2.159 172.750 174.900 0.016 0.000 1.374 683 G CA -0.539 44.574 45.100 0.022 0.000 1.053 683 G HN 0.061 nan 8.290 nan 0.000 0.539 684 P HA 0.197 nan 4.420 nan 0.000 0.274 684 P C -0.484 176.828 177.300 0.020 0.000 1.256 684 P CA -0.016 63.082 63.100 -0.003 0.000 0.795 684 P CB 0.775 32.469 31.700 -0.011 0.000 1.038 685 T N 1.550 116.107 114.554 0.005 0.000 2.771 685 T HA 0.492 4.841 4.350 -0.001 0.000 0.281 685 T C -0.121 174.606 174.700 0.045 0.000 0.982 685 T CA -0.381 61.749 62.100 0.050 0.000 0.978 685 T CB 0.153 69.058 68.868 0.062 0.000 0.930 685 T HN 0.176 nan 8.240 nan 0.000 0.447 686 L N 2.662 123.931 121.223 0.076 0.000 2.341 686 L HA 0.794 5.133 4.340 -0.001 0.000 0.278 686 L C 0.050 176.868 176.870 -0.088 0.000 1.005 686 L CA -1.151 53.656 54.840 -0.055 0.000 0.818 686 L CB 1.681 43.702 42.059 -0.063 0.000 1.259 686 L HN 0.656 nan 8.230 nan 0.000 0.418 687 A N 3.096 125.773 122.820 -0.238 0.000 2.340 687 A HA 0.887 5.206 4.320 -0.001 0.000 0.331 687 A C -1.280 176.051 177.584 -0.421 0.000 1.140 687 A CA -0.315 51.635 52.037 -0.146 0.000 0.801 687 A CB 0.958 19.945 19.000 -0.020 0.000 1.234 687 A HN 0.501 nan 8.150 nan 0.000 0.469 688 F N 0.824 120.828 119.950 0.089 0.000 2.551 688 F HA 0.509 5.036 4.527 -0.001 0.000 0.316 688 F C 1.045 176.901 175.800 0.092 0.000 1.089 688 F CA -0.329 57.738 58.000 0.111 0.000 0.915 688 F CB 2.196 41.262 39.000 0.110 0.000 1.186 688 F HN 0.681 nan 8.300 nan 0.000 0.456 689 S N 0.402 116.274 115.700 0.286 0.000 2.596 689 S HA 0.071 4.541 4.470 -0.001 0.000 0.260 689 S C 1.030 175.742 174.600 0.187 0.000 1.336 689 S CA -0.032 58.283 58.200 0.191 0.000 0.993 689 S CB 0.650 63.963 63.200 0.188 0.000 0.923 689 S HN 0.852 nan 8.310 nan 0.000 0.567 690 E N -0.133 120.143 120.200 0.127 0.000 2.409 690 E HA -0.164 4.185 4.350 -0.001 0.000 0.198 690 E C 1.185 177.851 176.600 0.110 0.000 1.024 690 E CA 0.815 57.279 56.400 0.105 0.000 0.861 690 E CB -0.412 29.334 29.700 0.076 0.000 0.788 690 E HN 0.777 nan 8.360 nan 0.000 0.521 691 Q N 0.183 120.063 119.800 0.133 0.000 2.280 691 Q HA 0.217 4.556 4.340 -0.001 0.000 0.202 691 Q C 0.744 176.837 176.000 0.155 0.000 0.903 691 Q CA 0.431 56.311 55.803 0.128 0.000 0.948 691 Q CB 0.978 29.792 28.738 0.127 0.000 1.058 691 Q HN 0.470 nan 8.270 nan 0.000 0.493 692 G N 0.436 109.350 108.800 0.190 0.000 2.137 692 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.237 692 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.237 692 G C -0.325 174.799 174.900 0.373 0.000 1.002 692 G CA -0.195 45.022 45.100 0.195 0.000 0.702 692 G HN 0.265 nan 8.290 nan 0.000 0.515 693 L N -0.271 121.214 121.223 0.436 0.000 2.334 693 L HA 0.696 5.035 4.340 -0.001 0.000 0.276 693 L C 0.760 177.929 176.870 0.498 0.000 1.014 693 L CA -1.402 53.734 54.840 0.494 0.000 0.815 693 L CB 1.612 43.856 42.059 0.308 0.000 1.268 693 L HN 0.131 nan 8.230 nan 0.000 0.428 694 L N 2.726 124.223 121.223 0.456 0.000 2.559 694 L HA -0.038 4.302 4.340 -0.001 0.000 0.282 694 L C 0.809 177.736 176.870 0.096 0.000 1.232 694 L CA 1.159 56.013 54.840 0.023 0.000 0.885 694 L CB 0.125 42.230 42.059 0.077 0.000 1.131 694 L HN 0.623 nan 8.230 nan 0.000 0.498 695 K N 1.169 121.537 120.400 -0.053 0.000 2.424 695 K HA 0.247 4.566 4.320 -0.001 0.000 0.198 695 K C -0.416 176.136 176.600 -0.080 0.000 1.190 695 K CA 0.615 56.902 56.287 -0.000 0.000 0.935 695 K CB 0.600 33.085 32.500 -0.025 0.000 1.087 695 K HN 0.831 nan 8.250 nan 0.000 0.524 696 S N -0.290 115.334 115.700 -0.128 0.000 2.567 696 S HA 0.518 4.987 4.470 -0.001 0.000 0.270 696 S C -1.170 173.375 174.600 -0.092 0.000 1.152 696 S CA -1.031 57.118 58.200 -0.084 0.000 0.835 696 S CB 1.386 64.588 63.200 0.004 0.000 1.115 696 S HN 0.045 nan 8.310 nan 0.000 0.459 697 I N 1.337 121.863 120.570 -0.073 0.000 2.498 697 I HA 0.486 4.655 4.170 -0.001 0.000 0.290 697 I C -0.572 175.478 176.117 -0.112 0.000 1.032 697 I CA -0.402 60.849 61.300 -0.082 0.000 1.073 697 I CB 2.156 40.102 38.000 -0.089 0.000 1.251 697 I HN 0.735 nan 8.210 nan 0.000 0.426 698 Q N 5.921 125.625 119.800 -0.162 0.000 2.357 698 Q HA 0.422 4.761 4.340 -0.001 0.000 0.266 698 Q C -0.045 175.855 176.000 -0.166 0.000 1.021 698 Q CA -0.522 55.108 55.803 -0.289 0.000 0.784 698 Q CB 1.779 30.127 28.738 -0.650 0.000 1.243 698 Q HN 0.786 nan 8.270 nan 0.000 0.465 699 L N 1.961 123.106 121.223 -0.131 0.000 2.056 699 L HA -0.023 4.317 4.340 -0.001 0.000 0.207 699 L C 1.047 177.876 176.870 -0.068 0.000 1.078 699 L CA 1.364 56.154 54.840 -0.082 0.000 0.749 699 L CB -0.191 41.827 42.059 -0.069 0.000 0.901 699 L HN 0.689 nan 8.230 nan 0.000 0.433 700 T N -6.541 107.965 114.554 -0.079 0.000 2.883 700 T HA 0.218 4.567 4.350 -0.001 0.000 0.296 700 T C 0.476 175.140 174.700 -0.059 0.000 1.117 700 T CA -0.867 61.201 62.100 -0.053 0.000 1.006 700 T CB 1.940 70.785 68.868 -0.039 0.000 1.191 700 T HN -0.141 nan 8.240 nan 0.000 0.508 701 Q N 1.264 121.045 119.800 -0.031 0.000 2.082 701 Q HA -0.216 4.123 4.340 -0.001 0.000 0.211 701 Q C 1.901 177.888 176.000 -0.022 0.000 1.002 701 Q CA 2.720 58.513 55.803 -0.017 0.000 0.868 701 Q CB -0.490 28.247 28.738 -0.001 0.000 0.931 701 Q HN 0.955 nan 8.270 nan 0.000 0.414 702 D N -0.030 120.357 120.400 -0.022 0.000 2.234 702 D HA -0.062 4.577 4.640 -0.001 0.000 0.205 702 D C 0.764 177.046 176.300 -0.029 0.000 0.962 702 D CA 0.591 54.582 54.000 -0.015 0.000 0.855 702 D CB -0.132 40.662 40.800 -0.011 0.000 0.951 702 D HN 0.117 nan 8.370 nan 0.000 0.500 703 S N 1.295 116.962 115.700 -0.055 0.000 2.589 703 S HA 0.270 4.739 4.470 -0.001 0.000 0.265 703 S C -2.460 172.083 174.600 -0.096 0.000 1.342 703 S CA -1.142 57.018 58.200 -0.067 0.000 1.005 703 S CB 0.608 63.762 63.200 -0.076 0.000 0.909 703 S HN -0.067 nan 8.310 nan 0.000 0.555 704 P HA 0.154 nan 4.420 nan 0.000 0.272 704 P C -0.520 176.702 177.300 -0.129 0.000 1.230 704 P CA -0.170 62.907 63.100 -0.039 0.000 0.788 704 P CB 0.165 31.864 31.700 -0.002 0.000 0.949 705 H N 0.336 119.397 119.070 -0.016 0.000 2.969 705 H HA 0.160 4.716 4.556 -0.001 0.000 0.269 705 H C -0.266 175.037 175.328 -0.041 0.000 1.223 705 H CA -0.369 55.661 56.048 -0.030 0.000 1.400 705 H CB -0.006 29.739 29.762 -0.028 0.000 1.500 705 H HN 0.096 nan 8.280 nan 0.000 0.486 706 V N 6.920 126.827 119.914 -0.012 0.000 2.470 706 V HA 0.059 4.178 4.120 -0.001 0.000 0.276 706 V C -1.911 174.139 176.094 -0.074 0.000 1.040 706 V CA -1.585 60.693 62.300 -0.037 0.000 1.008 706 V CB 0.606 32.394 31.823 -0.058 0.000 0.990 706 V HN 0.548 nan 8.190 nan 0.000 0.477 707 P HA 0.154 nan 4.420 nan 0.000 0.262 707 P C -0.736 176.432 177.300 -0.220 0.000 1.199 707 P CA 0.289 63.262 63.100 -0.212 0.000 0.763 707 P CB 0.468 31.896 31.700 -0.454 0.000 0.790 708 V N 4.158 123.969 119.914 -0.172 0.000 2.555 708 V HA 0.204 4.324 4.120 -0.001 0.000 0.283 708 V C -0.772 175.218 176.094 -0.172 0.000 1.020 708 V CA -0.437 61.742 62.300 -0.203 0.000 0.883 708 V CB 1.115 32.806 31.823 -0.219 0.000 1.030 708 V HN 0.542 nan 8.190 nan 0.000 0.448 709 H N 4.560 123.467 119.070 -0.272 0.000 2.511 709 H HA 0.663 5.219 4.556 -0.001 0.000 0.328 709 H C -1.095 174.097 175.328 -0.226 0.000 1.044 709 H CA -0.803 55.129 56.048 -0.194 0.000 1.212 709 H CB 1.012 30.704 29.762 -0.117 0.000 1.428 709 H HN 0.389 nan 8.280 nan 0.000 0.483 710 F N 4.034 123.689 119.950 -0.493 0.000 2.429 710 F HA 0.336 4.862 4.527 -0.001 0.000 0.348 710 F C 0.474 175.746 175.800 -0.880 0.000 1.109 710 F CA 0.124 57.784 58.000 -0.567 0.000 1.232 710 F CB 0.788 39.585 39.000 -0.339 0.000 1.157 710 F HN 0.491 nan 8.300 nan 0.000 0.564 711 K N 3.188 123.324 120.400 -0.441 0.000 2.523 711 K HA 0.489 4.809 4.320 -0.001 0.000 0.257 711 K C -2.019 174.328 176.600 -0.421 0.000 0.932 711 K CA -0.576 55.506 56.287 -0.341 0.000 0.812 711 K CB 1.306 33.684 32.500 -0.204 0.000 1.326 711 K HN 0.384 nan 8.250 nan 0.000 0.433 712 F N 3.921 123.801 119.950 -0.117 0.000 2.436 712 F HA 0.484 5.011 4.527 -0.001 0.000 0.340 712 F C -0.435 175.326 175.800 -0.064 0.000 1.113 712 F CA -0.597 57.347 58.000 -0.092 0.000 1.022 712 F CB 1.208 40.138 39.000 -0.117 0.000 1.128 712 F HN 0.245 nan 8.300 nan 0.000 0.466 713 L N 2.949 124.218 121.223 0.077 0.000 2.303 713 L HA 0.639 4.978 4.340 -0.001 0.000 0.256 713 L C -1.027 175.839 176.870 -0.006 0.000 1.034 713 L CA -1.008 53.828 54.840 -0.007 0.000 0.832 713 L CB 2.174 44.169 42.059 -0.108 0.000 1.403 713 L HN 0.482 nan 8.230 nan 0.000 0.419 714 K N -0.432 119.927 120.400 -0.069 0.000 2.371 714 K HA 0.650 4.969 4.320 -0.001 0.000 0.251 714 K C -1.764 174.771 176.600 -0.108 0.000 0.934 714 K CA -0.811 55.465 56.287 -0.019 0.000 0.798 714 K CB 1.750 34.270 32.500 0.035 0.000 1.204 714 K HN 0.258 nan 8.250 nan 0.000 0.427 715 Y N 0.508 120.868 120.300 0.100 0.000 2.387 715 Y HA 0.484 5.033 4.550 -0.001 0.000 0.330 715 Y C 1.013 176.969 175.900 0.094 0.000 1.133 715 Y CA 0.095 58.267 58.100 0.120 0.000 1.152 715 Y CB 2.125 40.725 38.460 0.233 0.000 1.215 715 Y HN 0.925 nan 8.280 nan 0.000 0.466 716 G N 0.643 109.583 108.800 0.233 0.000 2.828 716 G HA2 0.614 4.573 3.960 -0.001 0.000 0.244 716 G HA3 0.614 4.573 3.960 -0.001 0.000 0.244 716 G C -1.372 173.604 174.900 0.126 0.000 1.365 716 G CA -0.694 44.491 45.100 0.141 0.000 1.041 716 G HN 0.436 nan 8.290 nan 0.000 0.560 717 V N -0.132 119.822 119.914 0.066 0.000 2.864 717 V HA 0.452 4.571 4.120 -0.001 0.000 0.314 717 V C -0.075 176.017 176.094 -0.004 0.000 1.073 717 V CA -0.872 61.450 62.300 0.036 0.000 0.956 717 V CB 1.955 33.799 31.823 0.035 0.000 1.023 717 V HN 0.680 nan 8.190 nan 0.000 0.435 718 R N 1.414 121.901 120.500 -0.022 0.000 2.491 718 R HA 0.189 4.528 4.340 -0.001 0.000 0.283 718 R C 1.205 177.440 176.300 -0.108 0.000 1.072 718 R CA 0.402 56.468 56.100 -0.056 0.000 1.048 718 R CB 0.531 30.815 30.300 -0.027 0.000 0.983 718 R HN 0.912 nan 8.270 nan 0.000 0.450 719 S N 1.370 116.926 115.700 -0.241 0.000 2.446 719 S HA -0.050 4.419 4.470 -0.001 0.000 0.225 719 S C 0.308 174.702 174.600 -0.345 0.000 1.016 719 S CA 0.261 58.275 58.200 -0.310 0.000 0.943 719 S CB -0.267 62.717 63.200 -0.359 0.000 0.786 719 S HN 0.753 nan 8.310 nan 0.000 0.508 720 H N -0.525 118.547 119.070 0.003 0.000 2.771 720 H HA 0.805 5.360 4.556 -0.001 0.000 0.367 720 H C 0.793 176.120 175.328 -0.002 0.000 1.172 720 H CA -0.686 55.362 56.048 0.001 0.000 1.186 720 H CB 0.396 30.158 29.762 0.000 0.000 1.790 720 H HN 0.388 nan 8.280 nan 0.000 0.556 721 G N 0.297 109.186 108.800 0.148 0.000 2.642 721 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.231 721 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.231 721 G C -1.075 173.849 174.900 0.039 0.000 1.338 721 G CA -0.257 44.889 45.100 0.076 0.000 0.883 721 G HN 0.815 nan 8.290 nan 0.000 0.570 722 D N 1.299 121.712 120.400 0.021 0.000 2.382 722 D HA 0.430 5.069 4.640 -0.001 0.000 0.245 722 D C 0.916 177.215 176.300 -0.001 0.000 1.120 722 D CA 0.186 54.188 54.000 0.004 0.000 0.890 722 D CB 0.554 41.351 40.800 -0.005 0.000 1.201 722 D HN 0.428 nan 8.370 nan 0.000 0.433 723 R N 1.173 121.672 120.500 -0.003 0.000 2.407 723 R HA 0.314 4.653 4.340 -0.001 0.000 0.303 723 R C -0.013 176.289 176.300 0.004 0.000 0.981 723 R CA -0.639 55.462 56.100 0.001 0.000 0.905 723 R CB 1.186 31.490 30.300 0.007 0.000 1.099 723 R HN 0.318 nan 8.270 nan 0.000 0.459 724 S N 0.495 116.206 115.700 0.018 0.000 2.563 724 S HA 0.322 4.791 4.470 -0.001 0.000 0.284 724 S C 0.655 175.277 174.600 0.038 0.000 1.331 724 S CA 0.144 58.369 58.200 0.041 0.000 1.047 724 S CB 0.984 64.238 63.200 0.091 0.000 0.859 724 S HN 0.793 nan 8.310 nan 0.000 0.514 725 G N -0.145 108.678 108.800 0.038 0.000 2.815 725 G HA2 0.590 4.549 3.960 -0.001 0.000 0.305 725 G HA3 0.590 4.549 3.960 -0.001 0.000 0.305 725 G C 0.536 175.454 174.900 0.030 0.000 1.277 725 G CA -0.148 44.978 45.100 0.044 0.000 0.795 725 G HN 0.712 nan 8.290 nan 0.000 0.528 726 A N -1.320 121.501 122.820 0.001 0.000 2.024 726 A HA 0.077 4.396 4.320 -0.001 0.000 0.220 726 A C 1.857 179.336 177.584 -0.175 0.000 1.164 726 A CA 2.013 53.984 52.037 -0.109 0.000 0.643 726 A CB -0.585 18.286 19.000 -0.214 0.000 0.806 726 A HN 0.589 nan 8.150 nan 0.000 0.451 727 Y N -0.911 119.314 120.300 -0.125 0.000 2.314 727 Y HA 0.352 4.902 4.550 -0.001 0.000 0.294 727 Y C 0.843 176.608 175.900 -0.225 0.000 1.139 727 Y CA -0.100 57.841 58.100 -0.266 0.000 1.162 727 Y CB -0.119 37.797 38.460 -0.905 0.000 1.121 727 Y HN 0.001 nan 8.280 nan 0.000 0.529 728 L N 0.982 122.154 121.223 -0.084 0.000 2.305 728 L HA 0.165 4.505 4.340 -0.001 0.000 0.281 728 L C -1.043 175.873 176.870 0.077 0.000 1.085 728 L CA -0.460 54.335 54.840 -0.075 0.000 0.813 728 L CB 0.682 42.656 42.059 -0.142 0.000 1.157 728 L HN 0.057 nan 8.230 nan 0.000 0.436 729 F N 5.405 125.298 119.950 -0.095 0.000 2.361 729 F HA 0.469 4.995 4.527 -0.001 0.000 0.364 729 F C -0.639 175.087 175.800 -0.122 0.000 1.120 729 F CA -1.153 56.755 58.000 -0.153 0.000 1.102 729 F CB 0.574 39.415 39.000 -0.265 0.000 1.183 729 F HN 0.224 nan 8.300 nan 0.000 0.476 730 L N 9.178 130.306 121.223 -0.158 0.000 2.556 730 L HA 0.340 4.679 4.340 -0.001 0.000 0.243 730 L C -2.379 174.327 176.870 -0.273 0.000 1.331 730 L CA -1.717 52.977 54.840 -0.242 0.000 0.927 730 L CB 1.019 43.027 42.059 -0.084 0.000 1.219 730 L HN 0.396 nan 8.230 nan 0.000 0.490 731 P HA 0.065 nan 4.420 nan 0.000 0.274 731 P C -0.448 176.791 177.300 -0.102 0.000 1.231 731 P CA -0.357 62.584 63.100 -0.265 0.000 0.790 731 P CB 0.626 32.075 31.700 -0.419 0.000 0.951 732 N N 0.989 119.693 118.700 0.007 0.000 3.259 732 N HA 0.279 5.018 4.740 -0.001 0.000 0.308 732 N C 0.604 176.138 175.510 0.039 0.000 1.334 732 N CA -0.205 52.853 53.050 0.013 0.000 1.202 732 N CB -0.873 37.622 38.487 0.013 0.000 1.485 732 N HN 0.736 nan 8.380 nan 0.000 0.549 733 G N 0.359 109.182 108.800 0.039 0.000 2.541 733 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.686 733 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.686 733 G C -3.098 171.878 174.900 0.126 0.000 1.286 733 G CA -1.172 43.960 45.100 0.054 0.000 0.894 733 G HN 0.302 nan 8.290 nan 0.000 0.575 734 P HA 0.425 nan 4.420 nan 0.000 0.269 734 P C 0.584 177.845 177.300 -0.066 0.000 1.211 734 P CA 0.759 63.918 63.100 0.098 0.000 0.781 734 P CB 0.392 32.117 31.700 0.043 0.000 0.877 735 A N 2.150 124.732 122.820 -0.397 0.000 2.425 735 A HA 0.399 4.718 4.320 -0.001 0.000 0.242 735 A C 0.126 177.553 177.584 -0.262 0.000 1.077 735 A CA 0.342 51.971 52.037 -0.681 0.000 0.781 735 A CB -0.197 18.142 19.000 -1.101 0.000 1.020 735 A HN 0.487 nan 8.150 nan 0.000 0.494 736 S N 2.068 117.659 115.700 -0.183 0.000 2.532 736 S HA 0.633 5.102 4.470 -0.001 0.000 0.301 736 S C -2.835 171.728 174.600 -0.062 0.000 1.083 736 S CA -1.213 56.937 58.200 -0.084 0.000 1.025 736 S CB 1.390 64.563 63.200 -0.045 0.000 1.056 736 S HN 0.595 nan 8.310 nan 0.000 0.494 737 P HA 0.093 nan 4.420 nan 0.000 0.267 737 P C -0.527 176.782 177.300 0.014 0.000 1.205 737 P CA -0.289 62.812 63.100 0.001 0.000 0.765 737 P CB 0.151 31.863 31.700 0.020 0.000 0.828 738 V N 4.239 124.174 119.914 0.036 0.000 2.557 738 V HA -0.090 4.030 4.120 -0.001 0.000 0.301 738 V C 1.167 177.278 176.094 0.028 0.000 1.026 738 V CA 0.541 62.861 62.300 0.033 0.000 1.137 738 V CB -0.656 31.195 31.823 0.047 0.000 0.917 738 V HN 0.519 nan 8.190 nan 0.000 0.484 739 E N 4.629 124.839 120.200 0.016 0.000 2.265 739 E HA 0.129 4.478 4.350 -0.001 0.000 0.272 739 E C 0.536 177.143 176.600 0.012 0.000 1.067 739 E CA -0.181 56.229 56.400 0.017 0.000 0.900 739 E CB 0.775 30.482 29.700 0.012 0.000 1.017 739 E HN 0.574 nan 8.360 nan 0.000 0.431 740 L N 2.765 124.001 121.223 0.022 0.000 2.416 740 L HA 0.118 4.458 4.340 -0.001 0.000 0.216 740 L C 1.388 178.270 176.870 0.020 0.000 1.098 740 L CA 0.485 55.335 54.840 0.017 0.000 0.840 740 L CB -0.543 41.537 42.059 0.036 0.000 0.981 740 L HN 0.863 nan 8.230 nan 0.000 0.462 741 G N 0.694 109.509 108.800 0.025 0.000 2.550 741 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.277 741 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.277 741 G C 0.064 174.986 174.900 0.036 0.000 1.190 741 G CA 0.216 45.333 45.100 0.027 0.000 0.971 741 G HN 0.334 nan 8.290 nan 0.000 0.559 742 Q N 1.746 121.569 119.800 0.039 0.000 2.721 742 Q HA 0.480 4.819 4.340 -0.001 0.000 0.257 742 Q C -2.172 173.863 176.000 0.060 0.000 1.070 742 Q CA -1.549 54.282 55.803 0.048 0.000 0.910 742 Q CB 1.005 29.769 28.738 0.043 0.000 1.163 742 Q HN 0.588 nan 8.270 nan 0.000 0.501 743 P HA 0.017 nan 4.420 nan 0.000 0.272 743 P C -0.610 176.759 177.300 0.114 0.000 1.223 743 P CA -0.227 62.922 63.100 0.081 0.000 0.784 743 P CB 0.947 32.679 31.700 0.053 0.000 0.923 744 V N 2.376 122.398 119.914 0.179 0.000 2.461 744 V HA 0.147 4.266 4.120 -0.001 0.000 0.275 744 V C 0.464 176.718 176.094 0.266 0.000 1.047 744 V CA -0.329 62.099 62.300 0.212 0.000 0.955 744 V CB 1.304 33.285 31.823 0.264 0.000 0.988 744 V HN 0.249 nan 8.190 nan 0.000 0.471 745 V N 6.346 126.356 119.914 0.160 0.000 2.448 745 V HA 0.450 4.569 4.120 -0.001 0.000 0.295 745 V C -0.389 175.725 176.094 0.033 0.000 1.025 745 V CA -0.616 61.755 62.300 0.119 0.000 0.859 745 V CB 1.649 33.502 31.823 0.050 0.000 0.988 745 V HN 0.664 nan 8.190 nan 0.000 0.431 746 L N 6.868 128.109 121.223 0.030 0.000 2.287 746 L HA 0.693 5.032 4.340 -0.001 0.000 0.287 746 L C -0.514 176.240 176.870 -0.193 0.000 1.022 746 L CA 0.027 54.752 54.840 -0.192 0.000 0.814 746 L CB 1.705 43.549 42.059 -0.359 0.000 1.217 746 L HN 0.438 nan 8.230 nan 0.000 0.420 747 V N 4.282 124.071 119.914 -0.210 0.000 2.370 747 V HA 0.535 4.654 4.120 -0.001 0.000 0.283 747 V C 0.085 176.099 176.094 -0.134 0.000 1.023 747 V CA -0.384 61.814 62.300 -0.171 0.000 0.857 747 V CB 1.439 33.181 31.823 -0.135 0.000 0.985 747 V HN 0.849 nan 8.190 nan 0.000 0.443 748 T N 5.433 119.936 114.554 -0.085 0.000 2.792 748 T HA 0.439 4.789 4.350 -0.001 0.000 0.280 748 T C -0.402 174.320 174.700 0.036 0.000 0.990 748 T CA -0.571 61.534 62.100 0.010 0.000 0.960 748 T CB 1.138 70.050 68.868 0.074 0.000 0.939 748 T HN 0.674 nan 8.240 nan 0.000 0.439 749 K N 2.413 122.852 120.400 0.066 0.000 2.450 749 K HA 0.686 5.006 4.320 -0.001 0.000 0.257 749 K C -0.318 176.339 176.600 0.095 0.000 0.953 749 K CA -0.579 55.749 56.287 0.068 0.000 0.844 749 K CB 0.972 33.505 32.500 0.056 0.000 1.103 749 K HN 0.774 nan 8.250 nan 0.000 0.429 750 G N 2.200 111.054 108.800 0.089 0.000 2.658 750 G HA2 0.178 4.137 3.960 -0.001 0.000 0.292 750 G HA3 0.178 4.137 3.960 -0.001 0.000 0.292 750 G C -0.268 174.677 174.900 0.074 0.000 1.320 750 G CA -0.645 44.510 45.100 0.091 0.000 0.933 750 G HN 0.659 nan 8.290 nan 0.000 0.476 751 K N -0.349 120.091 120.400 0.067 0.000 2.155 751 K HA 0.152 4.472 4.320 -0.001 0.000 0.203 751 K C 1.700 178.336 176.600 0.060 0.000 1.052 751 K CA 0.928 57.251 56.287 0.059 0.000 0.948 751 K CB -0.140 32.392 32.500 0.053 0.000 0.728 751 K HN 0.421 nan 8.250 nan 0.000 0.448 752 L N -0.536 120.724 121.223 0.062 0.000 2.357 752 L HA 0.196 4.536 4.340 -0.001 0.000 0.211 752 L C 0.563 177.468 176.870 0.059 0.000 1.075 752 L CA 0.179 55.056 54.840 0.061 0.000 0.830 752 L CB 0.334 42.433 42.059 0.066 0.000 0.996 752 L HN 0.188 nan 8.230 nan 0.000 0.467 753 E N -0.183 120.056 120.200 0.065 0.000 2.311 753 E HA 0.370 4.720 4.350 -0.001 0.000 0.281 753 E C -1.466 175.177 176.600 0.072 0.000 0.905 753 E CA -0.210 56.229 56.400 0.065 0.000 0.778 753 E CB 2.058 31.796 29.700 0.063 0.000 1.240 753 E HN -0.107 nan 8.360 nan 0.000 0.410 754 S N 1.347 117.087 115.700 0.067 0.000 2.638 754 S HA 0.800 5.269 4.470 -0.001 0.000 0.302 754 S C -1.179 173.444 174.600 0.037 0.000 1.096 754 S CA -0.703 57.531 58.200 0.056 0.000 0.953 754 S CB 1.772 65.006 63.200 0.057 0.000 1.107 754 S HN 0.628 nan 8.310 nan 0.000 0.503 755 S N -0.345 115.352 115.700 -0.006 0.000 2.565 755 S HA 0.726 5.196 4.470 -0.001 0.000 0.269 755 S C -1.657 172.845 174.600 -0.164 0.000 1.153 755 S CA -0.771 57.398 58.200 -0.052 0.000 0.835 755 S CB 1.018 64.209 63.200 -0.015 0.000 1.122 755 S HN 0.459 nan 8.310 nan 0.000 0.462 756 V N 1.875 121.627 119.914 -0.270 0.000 2.444 756 V HA 0.725 4.844 4.120 -0.001 0.000 0.294 756 V C -0.490 175.468 176.094 -0.227 0.000 1.022 756 V CA -0.414 61.665 62.300 -0.369 0.000 0.850 756 V CB 1.545 32.845 31.823 -0.872 0.000 0.992 756 V HN 0.991 nan 8.190 nan 0.000 0.426 757 S N 3.366 118.989 115.700 -0.128 0.000 2.500 757 S HA 0.782 5.251 4.470 -0.001 0.000 0.301 757 S C -0.763 173.786 174.600 -0.086 0.000 1.092 757 S CA -0.650 57.485 58.200 -0.107 0.000 1.030 757 S CB 2.139 65.369 63.200 0.050 0.000 1.031 757 S HN 0.666 nan 8.310 nan 0.000 0.483 758 V N 2.071 121.809 119.914 -0.294 0.000 2.760 758 V HA 0.808 4.928 4.120 -0.001 0.000 0.309 758 V C -0.041 175.705 176.094 -0.579 0.000 1.077 758 V CA -0.422 61.726 62.300 -0.253 0.000 0.910 758 V CB 1.749 33.550 31.823 -0.038 0.000 1.008 758 V HN 1.004 nan 8.190 nan 0.000 0.424 759 G N 7.054 115.557 108.800 -0.496 0.000 2.546 759 G HA2 0.549 4.508 3.960 -0.001 0.000 0.320 759 G HA3 0.549 4.508 3.960 -0.001 0.000 0.320 759 G C -0.657 174.140 174.900 -0.172 0.000 0.984 759 G CA -0.322 44.531 45.100 -0.413 0.000 1.183 759 G HN 0.709 nan 8.290 nan 0.000 0.443 760 L N 3.001 124.072 121.223 -0.252 0.000 2.352 760 L HA 0.419 4.758 4.340 -0.001 0.000 0.269 760 L C -2.122 174.630 176.870 -0.197 0.000 1.034 760 L CA -2.411 52.301 54.840 -0.213 0.000 0.806 760 L CB 2.285 44.139 42.059 -0.342 0.000 1.244 760 L HN 0.217 nan 8.230 nan 0.000 0.447 761 P HA 0.085 nan 4.420 nan 0.000 0.267 761 P C 0.062 177.265 177.300 -0.161 0.000 1.209 761 P CA 0.450 63.469 63.100 -0.134 0.000 0.763 761 P CB 0.953 32.597 31.700 -0.093 0.000 0.816 762 S N -0.228 115.384 115.700 -0.147 0.000 2.691 762 S HA -0.111 4.358 4.470 -0.001 0.000 0.262 762 S C 0.187 174.679 174.600 -0.179 0.000 1.284 762 S CA 1.210 59.331 58.200 -0.131 0.000 1.372 762 S CB -1.414 61.732 63.200 -0.090 0.000 1.693 762 S HN 0.391 nan 8.310 nan 0.000 0.647 763 V N 1.393 121.144 119.914 -0.273 0.000 2.711 763 V HA 0.449 4.568 4.120 -0.001 0.000 0.304 763 V C -0.341 175.519 176.094 -0.389 0.000 1.097 763 V CA -0.780 61.310 62.300 -0.349 0.000 0.906 763 V CB 2.160 33.618 31.823 -0.609 0.000 1.015 763 V HN 0.108 nan 8.190 nan 0.000 0.427 764 V N 4.080 123.775 119.914 -0.365 0.000 2.348 764 V HA 0.335 4.455 4.120 -0.001 0.000 0.270 764 V C -0.200 175.675 176.094 -0.366 0.000 1.037 764 V CA -0.422 61.564 62.300 -0.522 0.000 0.872 764 V CB 0.790 32.198 31.823 -0.692 0.000 1.002 764 V HN 0.925 nan 8.190 nan 0.000 0.464 765 H N 4.513 123.315 119.070 -0.446 0.000 2.488 765 H HA 0.589 5.145 4.556 -0.001 0.000 0.322 765 H C -0.374 174.827 175.328 -0.211 0.000 1.078 765 H CA -0.128 55.761 56.048 -0.266 0.000 1.260 765 H CB 1.114 30.745 29.762 -0.218 0.000 1.425 765 H HN 0.705 nan 8.280 nan 0.000 0.471 766 Q N 4.022 123.503 119.800 -0.531 0.000 2.347 766 Q HA 0.396 4.735 4.340 -0.001 0.000 0.271 766 Q C -1.376 174.407 176.000 -0.362 0.000 1.064 766 Q CA -0.927 54.649 55.803 -0.379 0.000 0.800 766 Q CB 1.742 30.367 28.738 -0.189 0.000 1.304 766 Q HN 0.731 nan 8.270 nan 0.000 0.438 767 T N 4.848 119.279 114.554 -0.205 0.000 2.791 767 T HA 0.518 4.867 4.350 -0.001 0.000 0.288 767 T C -0.366 174.358 174.700 0.040 0.000 0.999 767 T CA -0.334 61.766 62.100 -0.001 0.000 0.952 767 T CB 0.253 69.289 68.868 0.280 0.000 0.938 767 T HN 0.456 nan 8.240 nan 0.000 0.444 768 I N 3.717 124.323 120.570 0.060 0.000 2.404 768 I HA 0.486 4.655 4.170 -0.001 0.000 0.293 768 I C -0.170 176.000 176.117 0.088 0.000 0.992 768 I CA -0.758 60.578 61.300 0.060 0.000 1.149 768 I CB 1.652 39.676 38.000 0.041 0.000 1.315 768 I HN 0.388 nan 8.210 nan 0.000 0.446 769 M N 6.061 125.714 119.600 0.088 0.000 2.181 769 M HA 0.467 4.946 4.480 -0.001 0.000 0.323 769 M C 0.164 176.507 176.300 0.070 0.000 1.004 769 M CA -0.291 55.065 55.300 0.093 0.000 0.941 769 M CB 1.935 34.607 32.600 0.119 0.000 1.579 769 M HN 0.484 nan 8.290 nan 0.000 0.427 770 R N 1.253 121.789 120.500 0.060 0.000 2.565 770 R HA 0.356 4.696 4.340 -0.001 0.000 0.347 770 R C 0.832 177.160 176.300 0.047 0.000 1.010 770 R CA 0.196 56.326 56.100 0.049 0.000 1.126 770 R CB 1.007 31.329 30.300 0.036 0.000 1.331 770 R HN 1.138 nan 8.270 nan 0.000 0.552 771 G N -0.248 108.582 108.800 0.050 0.000 2.201 771 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.212 771 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.212 771 G C 0.294 175.215 174.900 0.035 0.000 0.994 771 G CA -0.334 44.792 45.100 0.043 0.000 0.644 771 G HN 0.540 nan 8.290 nan 0.000 0.508 772 G N -0.150 108.671 108.800 0.036 0.000 3.252 772 G HA2 0.799 4.758 3.960 -0.001 0.000 0.181 772 G HA3 0.799 4.758 3.960 -0.001 0.000 0.181 772 G C 0.486 175.406 174.900 0.033 0.000 1.187 772 G CA 0.458 45.574 45.100 0.027 0.000 0.886 772 G HN 1.557 nan 8.290 nan 0.000 0.615 773 A N 1.550 124.388 122.820 0.029 0.000 2.540 773 A HA 0.510 4.830 4.320 -0.001 0.000 0.239 773 A C -1.669 175.952 177.584 0.062 0.000 1.061 773 A CA -0.426 51.635 52.037 0.039 0.000 0.758 773 A CB -0.455 18.565 19.000 0.033 0.000 0.991 773 A HN 0.399 nan 8.150 nan 0.000 0.502 774 P HA 0.133 nan 4.420 nan 0.000 0.272 774 P C -0.467 176.903 177.300 0.117 0.000 1.240 774 P CA -0.204 62.961 63.100 0.110 0.000 0.791 774 P CB 0.669 32.458 31.700 0.148 0.000 0.978 775 E N 1.108 121.373 120.200 0.108 0.000 2.191 775 E HA 0.399 4.748 4.350 -0.001 0.000 0.278 775 E C -0.864 175.807 176.600 0.120 0.000 0.972 775 E CA -0.741 55.726 56.400 0.111 0.000 0.804 775 E CB 0.601 30.343 29.700 0.070 0.000 1.110 775 E HN 0.193 nan 8.360 nan 0.000 0.394 776 I N 4.116 124.789 120.570 0.172 0.000 2.404 776 I HA 0.402 4.571 4.170 -0.001 0.000 0.293 776 I C -0.065 176.165 176.117 0.188 0.000 0.992 776 I CA -0.647 60.733 61.300 0.134 0.000 1.149 776 I CB 1.254 39.349 38.000 0.158 0.000 1.315 776 I HN 0.569 nan 8.210 nan 0.000 0.446 777 R N 4.796 125.333 120.500 0.062 0.000 2.480 777 R HA 0.512 4.852 4.340 -0.001 0.000 0.306 777 R C -0.948 175.389 176.300 0.062 0.000 0.958 777 R CA -0.857 55.290 56.100 0.078 0.000 0.861 777 R CB 1.963 32.270 30.300 0.011 0.000 1.171 777 R HN 0.450 nan 8.270 nan 0.000 0.445 778 N N 2.640 121.437 118.700 0.162 0.000 2.407 778 N HA 0.200 4.939 4.740 -0.001 0.000 0.277 778 N C -1.225 174.285 175.510 0.001 0.000 0.995 778 N CA -0.723 52.398 53.050 0.117 0.000 0.903 778 N CB 1.906 40.569 38.487 0.293 0.000 1.218 778 N HN 0.330 nan 8.380 nan 0.000 0.487 779 L N 3.553 124.720 121.223 -0.093 0.000 2.268 779 L HA 0.364 4.703 4.340 -0.001 0.000 0.289 779 L C -0.983 175.810 176.870 -0.128 0.000 1.064 779 L CA -0.460 54.308 54.840 -0.119 0.000 0.824 779 L CB 0.477 42.457 42.059 -0.132 0.000 1.202 779 L HN 0.229 nan 8.230 nan 0.000 0.433 780 V N 4.663 124.504 119.914 -0.122 0.000 2.333 780 V HA 0.362 4.482 4.120 -0.001 0.000 0.274 780 V C -0.442 175.609 176.094 -0.071 0.000 1.028 780 V CA -0.498 61.748 62.300 -0.091 0.000 0.851 780 V CB 1.136 32.930 31.823 -0.049 0.000 1.000 780 V HN 0.669 nan 8.190 nan 0.000 0.456 781 D N 4.072 124.432 120.400 -0.067 0.000 2.408 781 D HA 0.274 4.913 4.640 -0.001 0.000 0.261 781 D C 0.549 176.829 176.300 -0.033 0.000 1.190 781 D CA -0.407 53.567 54.000 -0.043 0.000 0.910 781 D CB 1.467 42.240 40.800 -0.045 0.000 1.097 781 D HN 0.464 nan 8.370 nan 0.000 0.522 782 I N 2.435 123.000 120.570 -0.008 0.000 3.001 782 I HA 0.064 4.234 4.170 -0.001 0.000 0.268 782 I C 1.381 177.498 176.117 -0.001 0.000 1.267 782 I CA 1.072 62.374 61.300 0.004 0.000 1.472 782 I CB -0.211 37.810 38.000 0.035 0.000 1.089 782 I HN 0.622 nan 8.210 nan 0.000 0.468 783 G N 0.850 109.647 108.800 -0.004 0.000 2.611 783 G HA2 -0.439 3.520 3.960 -0.001 0.000 0.301 783 G HA3 -0.439 3.520 3.960 -0.001 0.000 0.301 783 G C 0.580 175.484 174.900 0.007 0.000 1.233 783 G CA 0.489 45.588 45.100 -0.003 0.000 0.993 783 G HN 0.708 nan 8.290 nan 0.000 0.553 784 S N -0.171 115.533 115.700 0.007 0.000 2.583 784 S HA 0.532 5.002 4.470 -0.001 0.000 0.239 784 S C 0.830 175.438 174.600 0.014 0.000 0.966 784 S CA 0.073 58.281 58.200 0.013 0.000 0.973 784 S CB 0.036 63.245 63.200 0.014 0.000 0.794 784 S HN 0.684 nan 8.310 nan 0.000 0.463 785 L N 3.020 124.251 121.223 0.014 0.000 2.415 785 L HA 0.262 4.601 4.340 -0.001 0.000 0.269 785 L C -0.368 176.519 176.870 0.028 0.000 1.244 785 L CA -0.351 54.500 54.840 0.018 0.000 1.113 785 L CB -0.645 41.423 42.059 0.016 0.000 1.352 785 L HN 0.172 nan 8.230 nan 0.000 0.433 786 D N 2.571 122.987 120.400 0.026 0.000 2.423 786 D HA -0.015 4.625 4.640 -0.001 0.000 0.238 786 D C 0.732 177.054 176.300 0.037 0.000 1.142 786 D CA 0.305 54.324 54.000 0.031 0.000 0.884 786 D CB 0.339 41.154 40.800 0.025 0.000 1.199 786 D HN 0.300 nan 8.370 nan 0.000 0.438 787 N N 0.367 119.094 118.700 0.044 0.000 2.725 787 N HA -0.172 4.567 4.740 -0.001 0.000 0.251 787 N C -0.928 174.625 175.510 0.071 0.000 1.031 787 N CA 0.852 53.934 53.050 0.054 0.000 0.720 787 N CB -1.285 37.226 38.487 0.039 0.000 0.930 787 N HN 0.293 nan 8.380 nan 0.000 0.543 788 T N 0.418 115.019 114.554 0.078 0.000 2.886 788 T HA 0.433 4.783 4.350 -0.001 0.000 0.292 788 T C -0.223 174.545 174.700 0.114 0.000 1.012 788 T CA -0.718 61.439 62.100 0.095 0.000 0.982 788 T CB 2.302 71.211 68.868 0.068 0.000 1.018 788 T HN 0.025 nan 8.240 nan 0.000 0.451 789 E N 2.507 122.805 120.200 0.164 0.000 2.191 789 E HA 0.431 4.781 4.350 -0.001 0.000 0.263 789 E C -0.682 176.039 176.600 0.202 0.000 0.881 789 E CA -0.616 55.880 56.400 0.161 0.000 0.757 789 E CB 2.171 31.944 29.700 0.121 0.000 1.147 789 E HN 0.503 nan 8.360 nan 0.000 0.414 790 I N 2.864 123.536 120.570 0.169 0.000 2.342 790 I HA 0.226 4.395 4.170 -0.001 0.000 0.291 790 I C -0.139 176.115 176.117 0.229 0.000 1.010 790 I CA -0.773 60.640 61.300 0.189 0.000 1.308 790 I CB 1.262 39.363 38.000 0.169 0.000 1.400 790 I HN 0.205 nan 8.210 nan 0.000 0.488 791 V N 8.113 128.162 119.914 0.225 0.000 2.628 791 V HA 0.505 4.624 4.120 -0.001 0.000 0.306 791 V C -0.433 175.691 176.094 0.050 0.000 1.045 791 V CA -0.727 61.688 62.300 0.192 0.000 0.905 791 V CB 2.034 34.032 31.823 0.291 0.000 0.997 791 V HN 0.763 nan 8.190 nan 0.000 0.436 792 M N 7.270 126.821 119.600 -0.082 0.000 2.205 792 M HA 0.587 5.066 4.480 -0.001 0.000 0.344 792 M C -0.652 175.491 176.300 -0.262 0.000 1.085 792 M CA -0.480 54.528 55.300 -0.487 0.000 1.001 792 M CB 0.763 33.035 32.600 -0.548 0.000 1.626 792 M HN 0.765 nan 8.290 nan 0.000 0.442 793 R N 4.721 125.053 120.500 -0.279 0.000 2.637 793 R HA 0.694 5.033 4.340 -0.001 0.000 0.291 793 R C -2.005 174.186 176.300 -0.182 0.000 0.963 793 R CA -0.640 55.364 56.100 -0.161 0.000 0.901 793 R CB 1.564 31.794 30.300 -0.115 0.000 1.160 793 R HN 0.824 nan 8.270 nan 0.000 0.457 794 L N 3.419 124.523 121.223 -0.198 0.000 2.296 794 L HA 0.405 4.744 4.340 -0.001 0.000 0.286 794 L C -0.444 176.313 176.870 -0.189 0.000 1.023 794 L CA -0.434 54.224 54.840 -0.305 0.000 0.812 794 L CB 1.888 43.719 42.059 -0.380 0.000 1.223 794 L HN 0.596 nan 8.230 nan 0.000 0.421 795 E N 2.354 122.459 120.200 -0.158 0.000 2.134 795 E HA 0.463 4.813 4.350 -0.001 0.000 0.278 795 E C -0.384 176.151 176.600 -0.108 0.000 0.959 795 E CA -0.419 55.936 56.400 -0.075 0.000 0.783 795 E CB 1.880 31.584 29.700 0.007 0.000 1.095 795 E HN 0.619 nan 8.360 nan 0.000 0.399 796 T N -0.882 113.620 114.554 -0.087 0.000 2.716 796 T HA 0.318 4.667 4.350 -0.001 0.000 0.286 796 T C 0.048 174.739 174.700 -0.015 0.000 1.052 796 T CA -0.708 61.313 62.100 -0.132 0.000 1.024 796 T CB 1.064 69.876 68.868 -0.094 0.000 1.349 796 T HN 0.590 nan 8.240 nan 0.000 0.525 797 H N -0.646 118.413 119.070 -0.018 0.000 2.487 797 H HA 0.437 4.992 4.556 -0.001 0.000 0.290 797 H C -0.045 175.282 175.328 -0.002 0.000 1.081 797 H CA -0.552 55.491 56.048 -0.008 0.000 1.116 797 H CB 0.088 29.845 29.762 -0.008 0.000 1.560 797 H HN 0.307 nan 8.280 nan 0.000 0.548 798 I N 1.589 122.222 120.570 0.105 0.000 2.471 798 I HA -0.091 4.079 4.170 -0.001 0.000 0.286 798 I C 0.412 176.573 176.117 0.073 0.000 1.079 798 I CA 0.060 61.404 61.300 0.073 0.000 1.398 798 I CB 0.653 38.685 38.000 0.053 0.000 1.403 798 I HN 0.181 nan 8.210 nan 0.000 0.530 799 D N 4.449 124.888 120.400 0.064 0.000 2.713 799 D HA 0.037 4.677 4.640 -0.001 0.000 0.229 799 D C 1.210 177.551 176.300 0.068 0.000 1.136 799 D CA -0.033 54.001 54.000 0.056 0.000 1.010 799 D CB 0.391 41.216 40.800 0.042 0.000 1.084 799 D HN 0.535 nan 8.370 nan 0.000 0.495 800 S N 0.517 116.264 115.700 0.079 0.000 2.496 800 S HA 0.261 4.731 4.470 -0.001 0.000 0.224 800 S C 1.605 176.260 174.600 0.092 0.000 0.996 800 S CA 0.310 58.572 58.200 0.103 0.000 0.927 800 S CB -0.134 63.141 63.200 0.124 0.000 0.774 800 S HN 0.542 nan 8.310 nan 0.000 0.524 801 G N 3.159 112.002 108.800 0.072 0.000 2.557 801 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.292 801 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.292 801 G C 0.135 175.080 174.900 0.076 0.000 1.162 801 G CA 0.540 45.678 45.100 0.063 0.000 0.964 801 G HN 0.766 nan 8.290 nan 0.000 0.541 802 D N 0.334 120.783 120.400 0.081 0.000 2.402 802 D HA 0.361 5.001 4.640 -0.001 0.000 0.216 802 D C 0.714 177.103 176.300 0.148 0.000 1.128 802 D CA -0.236 53.831 54.000 0.112 0.000 0.833 802 D CB 0.255 41.107 40.800 0.085 0.000 0.971 802 D HN 0.450 nan 8.370 nan 0.000 0.503 803 I N 1.390 122.031 120.570 0.118 0.000 2.437 803 I HA 0.520 4.689 4.170 -0.001 0.000 0.298 803 I C -0.146 176.068 176.117 0.161 0.000 0.984 803 I CA -1.109 60.201 61.300 0.018 0.000 1.214 803 I CB 0.564 38.544 38.000 -0.033 0.000 1.365 803 I HN -0.003 nan 8.210 nan 0.000 0.469 804 F N 4.093 123.866 119.950 -0.294 0.000 2.773 804 F HA 0.642 5.168 4.527 -0.001 0.000 0.314 804 F C -2.120 173.355 175.800 -0.541 0.000 1.160 804 F CA -1.401 56.466 58.000 -0.222 0.000 0.920 804 F CB 1.161 40.090 39.000 -0.119 0.000 1.323 804 F HN 0.185 nan 8.300 nan 0.000 0.457 805 Y N 0.253 120.340 120.300 -0.355 0.000 2.425 805 Y HA 0.680 5.229 4.550 -0.001 0.000 0.344 805 Y C 0.040 175.772 175.900 -0.280 0.000 0.969 805 Y CA -0.657 57.098 58.100 -0.575 0.000 1.052 805 Y CB 2.454 40.149 38.460 -1.275 0.000 1.215 805 Y HN 0.889 nan 8.280 nan 0.000 0.451 806 T N -1.311 113.162 114.554 -0.134 0.000 2.906 806 T HA 0.483 4.832 4.350 -0.001 0.000 0.295 806 T C -0.967 173.542 174.700 -0.319 0.000 1.075 806 T CA -1.091 60.947 62.100 -0.104 0.000 1.005 806 T CB 2.008 70.791 68.868 -0.142 0.000 1.136 806 T HN 0.564 nan 8.240 nan 0.000 0.498 807 D N 0.907 120.950 120.400 -0.595 0.000 2.340 807 D HA 0.362 5.002 4.640 -0.001 0.000 0.251 807 D C -0.635 175.388 176.300 -0.462 0.000 1.080 807 D CA -0.806 52.666 54.000 -0.881 0.000 0.971 807 D CB 1.181 41.183 40.800 -1.331 0.000 1.137 807 D HN 0.539 nan 8.370 nan 0.000 0.475 808 L N 0.846 121.846 121.223 -0.371 0.000 2.316 808 L HA 0.225 4.565 4.340 -0.001 0.000 0.280 808 L C -0.113 176.629 176.870 -0.212 0.000 1.006 808 L CA -0.760 53.955 54.840 -0.208 0.000 0.836 808 L CB 0.484 42.491 42.059 -0.087 0.000 1.221 808 L HN 0.463 nan 8.230 nan 0.000 0.418 809 N N 2.057 120.632 118.700 -0.207 0.000 2.714 809 N HA -0.223 4.516 4.740 -0.001 0.000 0.250 809 N C 0.945 176.224 175.510 -0.386 0.000 1.117 809 N CA 0.827 53.752 53.050 -0.209 0.000 0.719 809 N CB -1.096 37.356 38.487 -0.059 0.000 1.081 809 N HN 1.078 nan 8.380 nan 0.000 0.557 810 G N -1.429 107.143 108.800 -0.379 0.000 2.168 810 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.257 810 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.257 810 G C 0.586 175.469 174.900 -0.028 0.000 0.997 810 G CA 0.704 45.608 45.100 -0.328 0.000 0.708 810 G HN 0.514 nan 8.290 nan 0.000 0.520 811 L N -0.679 120.476 121.223 -0.114 0.000 2.577 811 L HA 0.501 4.840 4.340 -0.001 0.000 0.225 811 L C 0.878 177.661 176.870 -0.145 0.000 1.053 811 L CA 1.802 56.508 54.840 -0.223 0.000 0.866 811 L CB 0.203 41.966 42.059 -0.493 0.000 1.132 811 L HN 0.692 nan 8.230 nan 0.000 0.486 812 Q N -1.607 118.107 119.800 -0.144 0.000 2.472 812 Q HA 0.355 4.694 4.340 -0.001 0.000 0.281 812 Q C -1.705 174.221 176.000 -0.124 0.000 0.997 812 Q CA -0.737 55.053 55.803 -0.022 0.000 0.828 812 Q CB 1.076 29.849 28.738 0.058 0.000 1.443 812 Q HN -0.044 nan 8.270 nan 0.000 0.390 813 F N 1.336 121.245 119.950 -0.069 0.000 2.436 813 F HA 0.607 5.133 4.527 -0.001 0.000 0.340 813 F C -0.138 175.626 175.800 -0.059 0.000 1.113 813 F CA -0.872 57.098 58.000 -0.050 0.000 1.022 813 F CB 1.658 40.672 39.000 0.024 0.000 1.128 813 F HN 0.537 nan 8.300 nan 0.000 0.466 814 I N 3.657 124.238 120.570 0.020 0.000 2.474 814 I HA 0.339 4.509 4.170 -0.001 0.000 0.294 814 I C -0.547 175.423 176.117 -0.246 0.000 1.005 814 I CA -0.890 60.360 61.300 -0.082 0.000 1.113 814 I CB 1.320 39.226 38.000 -0.157 0.000 1.289 814 I HN 0.506 nan 8.210 nan 0.000 0.436 815 K N 6.576 126.783 120.400 -0.322 0.000 2.368 815 K HA 0.288 4.607 4.320 -0.001 0.000 0.282 815 K C -0.832 175.307 176.600 -0.770 0.000 1.035 815 K CA -0.420 55.399 56.287 -0.779 0.000 0.973 815 K CB 0.534 32.733 32.500 -0.500 0.000 0.957 815 K HN 0.489 nan 8.250 nan 0.000 0.474 816 R N 3.123 122.986 120.500 -1.062 0.000 2.664 816 R HA 0.346 4.685 4.340 -0.001 0.000 0.286 816 R C -0.531 175.267 176.300 -0.835 0.000 0.967 816 R CA -0.771 54.631 56.100 -1.164 0.000 0.933 816 R CB 1.541 30.582 30.300 -2.099 0.000 1.146 816 R HN 0.663 nan 8.270 nan 0.000 0.468 817 R N 1.563 121.785 120.500 -0.462 0.000 2.439 817 R HA 0.287 4.627 4.340 -0.001 0.000 0.310 817 R C -0.457 175.887 176.300 0.073 0.000 0.955 817 R CA -0.663 55.346 56.100 -0.153 0.000 0.853 817 R CB 1.424 31.678 30.300 -0.075 0.000 1.171 817 R HN 0.524 nan 8.270 nan 0.000 0.449 818 R N 5.240 125.895 120.500 0.259 0.000 2.449 818 R HA 0.111 4.450 4.340 -0.001 0.000 0.296 818 R C -1.014 175.383 176.300 0.161 0.000 1.047 818 R CA 0.192 56.483 56.100 0.319 0.000 1.018 818 R CB 0.346 30.823 30.300 0.294 0.000 0.962 818 R HN 0.541 nan 8.270 nan 0.000 0.428 819 L N 5.134 126.432 121.223 0.125 0.000 2.319 819 L HA 0.220 4.559 4.340 -0.001 0.000 0.281 819 L C 0.350 177.228 176.870 0.013 0.000 1.005 819 L CA -0.701 54.171 54.840 0.053 0.000 0.828 819 L CB 1.976 44.046 42.059 0.017 0.000 1.227 819 L HN 0.655 nan 8.230 nan 0.000 0.415 820 D N 1.721 122.133 120.400 0.020 0.000 2.348 820 D HA -0.128 4.511 4.640 -0.001 0.000 0.216 820 D C 1.699 177.993 176.300 -0.010 0.000 0.970 820 D CA 0.814 54.819 54.000 0.007 0.000 0.889 820 D CB 0.314 41.126 40.800 0.019 0.000 0.912 820 D HN 0.561 nan 8.370 nan 0.000 0.524 821 K N 0.304 120.694 120.400 -0.017 0.000 2.504 821 K HA -0.006 4.314 4.320 -0.001 0.000 0.195 821 K C 0.680 177.234 176.600 -0.075 0.000 1.036 821 K CA 0.368 56.643 56.287 -0.020 0.000 0.984 821 K CB 0.299 32.806 32.500 0.012 0.000 0.788 821 K HN 0.114 nan 8.250 nan 0.000 0.488 822 L N 2.443 123.585 121.223 -0.136 0.000 2.334 822 L HA 0.450 4.790 4.340 -0.001 0.000 0.273 822 L C -2.219 174.550 176.870 -0.168 0.000 1.013 822 L CA -2.867 51.842 54.840 -0.219 0.000 0.816 822 L CB 1.505 43.342 42.059 -0.371 0.000 1.278 822 L HN -0.029 nan 8.230 nan 0.000 0.431 823 P HA 0.036 nan 4.420 nan 0.000 0.273 823 P C 0.853 178.035 177.300 -0.196 0.000 1.250 823 P CA -0.421 62.587 63.100 -0.154 0.000 0.793 823 P CB 1.236 32.870 31.700 -0.111 0.000 1.011 824 L N 0.679 121.814 121.223 -0.146 0.000 2.021 824 L HA -0.277 4.062 4.340 -0.001 0.000 0.215 824 L C 2.523 179.309 176.870 -0.141 0.000 1.074 824 L CA 1.929 56.708 54.840 -0.103 0.000 0.760 824 L CB -0.659 41.328 42.059 -0.120 0.000 0.889 824 L HN 0.427 nan 8.230 nan 0.000 0.433 825 Q N -0.376 119.230 119.800 -0.323 0.000 2.291 825 Q HA -0.160 4.180 4.340 -0.001 0.000 0.205 825 Q C 1.869 177.777 176.000 -0.153 0.000 0.970 825 Q CA 1.493 57.132 55.803 -0.273 0.000 0.876 825 Q CB -0.483 28.006 28.738 -0.415 0.000 0.935 825 Q HN 0.603 nan 8.270 nan 0.000 0.455 826 A N 1.462 123.983 122.820 -0.498 0.000 2.067 826 A HA -0.028 4.291 4.320 -0.001 0.000 0.217 826 A C 1.648 179.032 177.584 -0.334 0.000 1.156 826 A CA 0.691 52.277 52.037 -0.751 0.000 0.683 826 A CB -0.173 17.946 19.000 -1.469 0.000 0.808 826 A HN 0.339 nan 8.150 nan 0.000 0.455 827 N N -1.039 117.587 118.700 -0.124 0.000 2.398 827 N HA 0.037 4.776 4.740 -0.001 0.000 0.188 827 N C -0.794 174.817 175.510 0.168 0.000 1.122 827 N CA 0.194 53.292 53.050 0.079 0.000 0.866 827 N CB 0.004 38.597 38.487 0.176 0.000 0.970 827 N HN 0.447 nan 8.380 nan 0.000 0.462 828 Y N 0.405 120.665 120.300 -0.067 0.000 2.359 828 Y HA 0.144 4.693 4.550 -0.001 0.000 0.330 828 Y C -0.122 175.748 175.900 -0.050 0.000 1.143 828 Y CA 0.035 58.184 58.100 0.083 0.000 1.318 828 Y CB 0.259 38.835 38.460 0.193 0.000 1.234 828 Y HN -0.054 nan 8.280 nan 0.000 0.522 829 Y N 3.216 123.649 120.300 0.222 0.000 2.609 829 Y HA 0.434 4.983 4.550 -0.001 0.000 0.342 829 Y C -2.294 173.328 175.900 -0.464 0.000 1.058 829 Y CA -2.916 55.189 58.100 0.007 0.000 1.055 829 Y CB 1.561 40.016 38.460 -0.009 0.000 1.292 829 Y HN 0.433 nan 8.280 nan 0.000 0.476 830 P HA 0.116 nan 4.420 nan 0.000 0.268 830 P C -0.588 176.462 177.300 -0.418 0.000 1.204 830 P CA 0.318 62.835 63.100 -0.971 0.000 0.768 830 P CB 0.516 31.538 31.700 -1.131 0.000 0.842 831 I N 5.138 125.542 120.570 -0.276 0.000 2.692 831 I HA 0.170 4.340 4.170 -0.001 0.000 0.285 831 I C -1.715 174.320 176.117 -0.138 0.000 1.191 831 I CA -2.471 58.739 61.300 -0.151 0.000 1.128 831 I CB 0.622 38.592 38.000 -0.050 0.000 1.585 831 I HN 0.172 nan 8.210 nan 0.000 0.558 832 P HA -0.086 nan 4.420 nan 0.000 0.218 832 P C 1.157 178.413 177.300 -0.074 0.000 1.149 832 P CA 1.358 64.369 63.100 -0.148 0.000 0.817 832 P CB 0.531 32.108 31.700 -0.205 0.000 0.785 833 S N -3.765 111.894 115.700 -0.067 0.000 2.483 833 S HA 0.436 4.905 4.470 -0.001 0.000 0.280 833 S C 0.512 175.188 174.600 0.127 0.000 1.059 833 S CA 0.325 58.545 58.200 0.033 0.000 1.359 833 S CB 0.216 63.458 63.200 0.070 0.000 1.171 833 S HN 0.310 nan 8.310 nan 0.000 0.625 834 G N 1.625 110.501 108.800 0.126 0.000 2.489 834 G HA2 0.570 4.529 3.960 -0.001 0.000 0.291 834 G HA3 0.570 4.529 3.960 -0.001 0.000 0.291 834 G C -1.432 173.698 174.900 0.384 0.000 1.487 834 G CA -0.445 44.855 45.100 0.334 0.000 0.795 834 G HN 0.905 nan 8.290 nan 0.000 0.513 835 M N -0.397 119.454 119.600 0.418 0.000 2.520 835 M HA 0.880 5.359 4.480 -0.001 0.000 0.280 835 M C -1.806 174.717 176.300 0.372 0.000 1.232 835 M CA -1.017 54.489 55.300 0.344 0.000 0.892 835 M CB 2.521 35.235 32.600 0.190 0.000 1.728 835 M HN 1.110 nan 8.290 nan 0.000 0.475 836 F N 1.237 121.329 119.950 0.237 0.000 2.645 836 F HA 0.917 5.443 4.527 -0.001 0.000 0.310 836 F C -1.740 174.189 175.800 0.215 0.000 1.102 836 F CA -1.189 56.890 58.000 0.131 0.000 0.952 836 F CB 1.235 40.223 39.000 -0.021 0.000 1.326 836 F HN 0.770 nan 8.300 nan 0.000 0.456 837 I N -0.081 120.719 120.570 0.382 0.000 2.689 837 I HA 0.854 5.023 4.170 -0.001 0.000 0.299 837 I C -1.416 174.881 176.117 0.300 0.000 1.059 837 I CA -0.867 60.626 61.300 0.322 0.000 1.055 837 I CB 2.383 40.493 38.000 0.183 0.000 1.243 837 I HN 0.949 nan 8.210 nan 0.000 0.425 838 E N 2.315 122.679 120.200 0.274 0.000 2.413 838 E HA 0.555 4.904 4.350 -0.001 0.000 0.277 838 E C -1.976 174.704 176.600 0.133 0.000 0.958 838 E CA -0.810 55.689 56.400 0.166 0.000 0.779 838 E CB 2.357 32.138 29.700 0.135 0.000 1.278 838 E HN 0.733 nan 8.360 nan 0.000 0.456 839 D N 0.722 121.170 120.400 0.080 0.000 2.726 839 D HA 0.436 5.076 4.640 -0.001 0.000 0.241 839 D C 0.969 177.296 176.300 0.046 0.000 1.150 839 D CA -0.136 53.905 54.000 0.069 0.000 1.089 839 D CB -0.194 40.640 40.800 0.057 0.000 1.260 839 D HN 0.439 nan 8.370 nan 0.000 0.637 840 A N -0.778 122.063 122.820 0.035 0.000 1.972 840 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 840 A C 1.560 179.147 177.584 0.006 0.000 1.169 840 A CA 1.539 53.588 52.037 0.021 0.000 0.635 840 A CB -0.717 18.293 19.000 0.018 0.000 0.810 840 A HN 0.505 nan 8.150 nan 0.000 0.446 841 N N -1.726 116.977 118.700 0.005 0.000 2.460 841 N HA 0.068 4.807 4.740 -0.001 0.000 0.193 841 N C -0.393 175.107 175.510 -0.017 0.000 1.080 841 N CA 0.813 53.859 53.050 -0.007 0.000 0.869 841 N CB 0.567 39.053 38.487 -0.003 0.000 1.201 841 N HN 0.307 nan 8.380 nan 0.000 0.457 842 T N 0.653 115.202 114.554 -0.008 0.000 2.893 842 T HA 0.448 4.797 4.350 -0.001 0.000 0.293 842 T C -0.544 174.148 174.700 -0.013 0.000 1.027 842 T CA -0.651 61.438 62.100 -0.017 0.000 0.988 842 T CB 2.862 71.725 68.868 -0.007 0.000 1.043 842 T HN -0.043 nan 8.240 nan 0.000 0.461 843 R N 1.869 122.344 120.500 -0.041 0.000 2.750 843 R HA 0.739 5.078 4.340 -0.001 0.000 0.281 843 R C -1.894 174.383 176.300 -0.038 0.000 0.972 843 R CA -0.925 55.152 56.100 -0.039 0.000 0.912 843 R CB 1.287 31.500 30.300 -0.146 0.000 1.187 843 R HN 0.447 nan 8.270 nan 0.000 0.464 844 L N 2.485 123.716 121.223 0.012 0.000 2.349 844 L HA 0.497 4.836 4.340 -0.001 0.000 0.278 844 L C -1.313 175.594 176.870 0.063 0.000 0.996 844 L CA 0.072 54.912 54.840 0.001 0.000 0.825 844 L CB 2.242 44.291 42.059 -0.017 0.000 1.243 844 L HN 0.638 nan 8.230 nan 0.000 0.412 845 T N 5.642 120.213 114.554 0.029 0.000 2.807 845 T HA 0.572 4.922 4.350 -0.001 0.000 0.279 845 T C -1.025 173.738 174.700 0.106 0.000 0.993 845 T CA -0.297 61.863 62.100 0.100 0.000 0.970 845 T CB 1.440 70.298 68.868 -0.017 0.000 0.950 845 T HN 0.460 nan 8.240 nan 0.000 0.441 846 L N 4.931 126.249 121.223 0.160 0.000 2.298 846 L HA 0.552 4.891 4.340 -0.001 0.000 0.284 846 L C -1.374 175.636 176.870 0.233 0.000 1.013 846 L CA -0.714 54.228 54.840 0.170 0.000 0.824 846 L CB 0.547 42.682 42.059 0.127 0.000 1.221 846 L HN 0.407 nan 8.230 nan 0.000 0.418 847 L N 3.893 125.259 121.223 0.238 0.000 2.334 847 L HA 0.693 5.033 4.340 -0.001 0.000 0.275 847 L C 0.476 177.495 176.870 0.248 0.000 1.036 847 L CA -0.244 54.736 54.840 0.233 0.000 0.807 847 L CB 1.602 43.767 42.059 0.177 0.000 1.231 847 L HN 0.786 nan 8.230 nan 0.000 0.438 848 T N -2.415 112.238 114.554 0.165 0.000 2.916 848 T HA 0.628 4.977 4.350 -0.001 0.000 0.292 848 T C 0.603 175.270 174.700 -0.056 0.000 1.055 848 T CA -0.279 61.840 62.100 0.032 0.000 1.009 848 T CB 1.945 70.835 68.868 0.036 0.000 1.118 848 T HN 0.652 nan 8.240 nan 0.000 0.497 849 G N 0.874 109.566 108.800 -0.180 0.000 3.337 849 G HA2 0.433 4.392 3.960 -0.001 0.000 0.246 849 G HA3 0.433 4.392 3.960 -0.001 0.000 0.246 849 G C 0.139 174.974 174.900 -0.107 0.000 1.131 849 G CA -0.301 44.725 45.100 -0.123 0.000 0.773 849 G HN 0.962 nan 8.290 nan 0.000 0.544 850 Q N -0.242 119.491 119.800 -0.112 0.000 2.545 850 Q HA 0.282 4.622 4.340 -0.001 0.000 0.273 850 Q C -3.556 172.403 176.000 -0.069 0.000 0.975 850 Q CA -2.153 53.603 55.803 -0.078 0.000 0.876 850 Q CB 1.733 30.433 28.738 -0.064 0.000 1.472 850 Q HN 0.003 nan 8.270 nan 0.000 0.389 851 P HA 0.468 nan 4.420 nan 0.000 0.281 851 P C -0.686 176.593 177.300 -0.034 0.000 1.252 851 P CA -0.164 62.911 63.100 -0.041 0.000 0.778 851 P CB 1.019 32.699 31.700 -0.033 0.000 0.895 852 L N 1.632 122.831 121.223 -0.041 0.000 2.397 852 L HA 0.708 5.047 4.340 -0.001 0.000 0.251 852 L C 0.783 177.664 176.870 0.018 0.000 1.064 852 L CA -1.142 53.697 54.840 -0.002 0.000 0.859 852 L CB 2.038 44.081 42.059 -0.027 0.000 1.468 852 L HN 0.349 nan 8.230 nan 0.000 0.411 853 G N -1.094 107.773 108.800 0.113 0.000 2.425 853 G HA2 0.693 4.652 3.960 -0.001 0.000 0.302 853 G HA3 0.693 4.652 3.960 -0.001 0.000 0.302 853 G C -0.588 174.309 174.900 -0.004 0.000 1.159 853 G CA 0.019 45.234 45.100 0.191 0.000 0.865 853 G HN 0.862 nan 8.290 nan 0.000 0.515 854 G N -1.488 107.100 108.800 -0.353 0.000 2.550 854 G HA2 0.698 4.658 3.960 -0.001 0.000 0.293 854 G HA3 0.698 4.658 3.960 -0.001 0.000 0.293 854 G C -1.150 173.267 174.900 -0.804 0.000 1.402 854 G CA 0.470 45.184 45.100 -0.643 0.000 0.784 854 G HN 1.371 nan 8.290 nan 0.000 0.482 855 S N -1.935 113.394 115.700 -0.619 0.000 2.683 855 S HA 0.700 5.170 4.470 -0.001 0.000 0.269 855 S C -1.628 172.519 174.600 -0.754 0.000 1.165 855 S CA 0.394 58.223 58.200 -0.618 0.000 0.840 855 S CB 1.203 64.133 63.200 -0.449 0.000 1.169 855 S HN 1.636 nan 8.310 nan 0.000 0.490 856 S N 1.656 116.625 115.700 -1.219 0.000 2.664 856 S HA 0.478 4.947 4.470 -0.001 0.000 0.262 856 S C 0.207 174.556 174.600 -0.419 0.000 1.229 856 S CA -0.651 57.109 58.200 -0.733 0.000 1.151 856 S CB -0.001 62.716 63.200 -0.804 0.000 1.054 856 S HN 0.583 nan 8.310 nan 0.000 0.483 857 L N 3.008 124.125 121.223 -0.176 0.000 2.558 857 L HA 0.463 4.803 4.340 -0.001 0.000 0.225 857 L C 0.875 177.739 176.870 -0.011 0.000 1.128 857 L CA 0.334 55.151 54.840 -0.038 0.000 0.868 857 L CB -0.020 42.075 42.059 0.060 0.000 1.006 857 L HN 0.711 nan 8.230 nan 0.000 0.454 858 A N -1.276 121.526 122.820 -0.030 0.000 2.604 858 A HA 0.416 4.735 4.320 -0.001 0.000 0.295 858 A C -0.392 177.192 177.584 -0.001 0.000 1.067 858 A CA -0.445 51.593 52.037 0.000 0.000 0.683 858 A CB 1.171 20.178 19.000 0.011 0.000 1.281 858 A HN -0.146 nan 8.150 nan 0.000 0.407 859 S N 0.068 115.781 115.700 0.023 0.000 2.593 859 S HA 0.377 4.847 4.470 -0.001 0.000 0.300 859 S C 1.551 176.171 174.600 0.034 0.000 1.267 859 S CA 2.089 60.311 58.200 0.036 0.000 1.065 859 S CB -0.193 63.031 63.200 0.041 0.000 0.807 859 S HN 2.652 nan 8.310 nan 0.000 0.499 860 G N 3.518 112.340 108.800 0.037 0.000 2.179 860 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.260 860 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.260 860 G C -0.172 174.724 174.900 -0.006 0.000 0.977 860 G CA 0.440 45.560 45.100 0.033 0.000 0.641 860 G HN 0.711 nan 8.290 nan 0.000 0.533 861 E N -0.500 119.683 120.200 -0.029 0.000 2.222 861 E HA 0.767 5.116 4.350 -0.001 0.000 0.272 861 E C -0.171 176.368 176.600 -0.101 0.000 0.982 861 E CA -0.695 55.666 56.400 -0.066 0.000 0.842 861 E CB 1.759 31.421 29.700 -0.064 0.000 1.144 861 E HN 0.249 nan 8.360 nan 0.000 0.397 862 L N 1.709 122.865 121.223 -0.112 0.000 2.388 862 L HA 0.466 4.805 4.340 -0.001 0.000 0.264 862 L C -0.600 176.197 176.870 -0.122 0.000 0.998 862 L CA -0.611 54.151 54.840 -0.129 0.000 0.817 862 L CB 2.044 44.054 42.059 -0.081 0.000 1.338 862 L HN 0.665 nan 8.230 nan 0.000 0.414 863 E N 2.964 123.084 120.200 -0.132 0.000 2.390 863 E HA 0.712 5.061 4.350 -0.001 0.000 0.277 863 E C -1.565 174.986 176.600 -0.082 0.000 0.939 863 E CA -0.851 55.502 56.400 -0.078 0.000 0.769 863 E CB 3.384 33.087 29.700 0.006 0.000 1.251 863 E HN 0.535 nan 8.360 nan 0.000 0.450 864 I N 2.139 122.698 120.570 -0.018 0.000 2.610 864 I HA 0.293 4.462 4.170 -0.001 0.000 0.289 864 I C -1.492 174.683 176.117 0.097 0.000 1.163 864 I CA -1.055 60.253 61.300 0.013 0.000 1.044 864 I CB 1.940 39.947 38.000 0.011 0.000 1.251 864 I HN 0.781 nan 8.210 nan 0.000 0.424 865 M N 6.455 126.150 119.600 0.157 0.000 2.228 865 M HA 0.228 4.708 4.480 -0.001 0.000 0.351 865 M C 0.581 176.978 176.300 0.162 0.000 1.233 865 M CA 0.634 56.038 55.300 0.172 0.000 1.129 865 M CB 0.928 33.604 32.600 0.125 0.000 1.604 865 M HN 0.575 nan 8.290 nan 0.000 0.457 866 Q N 1.483 121.416 119.800 0.222 0.000 2.287 866 Q HA 0.250 4.589 4.340 -0.001 0.000 0.201 866 Q C -0.233 175.981 176.000 0.356 0.000 0.946 866 Q CA 0.825 56.834 55.803 0.344 0.000 0.868 866 Q CB 0.380 29.351 28.738 0.389 0.000 0.967 866 Q HN 0.763 nan 8.270 nan 0.000 0.516 867 D N -0.899 119.639 120.400 0.230 0.000 2.671 867 D HA 0.301 4.940 4.640 -0.001 0.000 0.273 867 D C -1.426 174.947 176.300 0.121 0.000 1.264 867 D CA -0.488 53.622 54.000 0.184 0.000 0.788 867 D CB 1.508 42.405 40.800 0.162 0.000 1.324 867 D HN 0.042 nan 8.370 nan 0.000 0.424 868 R N 0.751 121.312 120.500 0.101 0.000 2.566 868 R HA 0.661 5.001 4.340 -0.001 0.000 0.271 868 R C -1.146 175.198 176.300 0.074 0.000 1.071 868 R CA -1.041 55.102 56.100 0.072 0.000 0.915 868 R CB 2.050 32.366 30.300 0.026 0.000 1.228 868 R HN 0.323 nan 8.270 nan 0.000 0.449 869 R N 3.751 124.292 120.500 0.069 0.000 2.451 869 R HA 0.470 4.810 4.340 -0.001 0.000 0.307 869 R C -1.502 174.832 176.300 0.057 0.000 0.965 869 R CA -0.623 55.514 56.100 0.061 0.000 0.865 869 R CB 1.323 31.655 30.300 0.054 0.000 1.174 869 R HN 0.709 nan 8.270 nan 0.000 0.455 870 L N 4.075 125.330 121.223 0.053 0.000 2.372 870 L HA 0.509 4.848 4.340 -0.001 0.000 0.274 870 L C 0.716 177.610 176.870 0.041 0.000 0.988 870 L CA -0.466 54.403 54.840 0.049 0.000 0.833 870 L CB 2.139 44.229 42.059 0.051 0.000 1.236 870 L HN 0.814 nan 8.230 nan 0.000 0.410 871 A N 1.576 124.418 122.820 0.035 0.000 2.119 871 A HA 0.192 4.511 4.320 -0.001 0.000 0.216 871 A C 0.898 178.498 177.584 0.027 0.000 1.152 871 A CA 0.582 52.636 52.037 0.029 0.000 0.708 871 A CB 0.030 19.044 19.000 0.023 0.000 0.805 871 A HN 0.595 nan 8.150 nan 0.000 0.460 872 S N -0.241 115.476 115.700 0.028 0.000 2.578 872 S HA 0.423 4.893 4.470 -0.001 0.000 0.301 872 S C -0.743 173.877 174.600 0.033 0.000 1.091 872 S CA -0.690 57.526 58.200 0.026 0.000 1.032 872 S CB 1.552 64.764 63.200 0.020 0.000 1.064 872 S HN 0.472 nan 8.310 nan 0.000 0.508 873 D N 0.508 120.929 120.400 0.034 0.000 2.341 873 D HA 0.210 4.849 4.640 -0.001 0.000 0.245 873 D C -0.070 176.252 176.300 0.037 0.000 1.106 873 D CA -0.295 53.733 54.000 0.047 0.000 0.905 873 D CB 0.666 41.493 40.800 0.045 0.000 1.202 873 D HN 0.512 nan 8.370 nan 0.000 0.426 874 D N 1.911 122.339 120.400 0.047 0.000 2.559 874 D HA 0.067 4.707 4.640 -0.001 0.000 0.234 874 D C -0.378 175.898 176.300 -0.039 0.000 1.226 874 D CA -0.291 53.710 54.000 0.001 0.000 0.830 874 D CB -0.410 40.384 40.800 -0.010 0.000 1.028 874 D HN 0.661 nan 8.370 nan 0.000 0.492 875 E N -0.038 120.160 120.200 -0.002 0.000 2.513 875 E HA -0.202 4.148 4.350 -0.001 0.000 0.257 875 E C 0.112 176.689 176.600 -0.038 0.000 1.098 875 E CA 0.157 56.552 56.400 -0.007 0.000 0.752 875 E CB -0.571 29.120 29.700 -0.014 0.000 1.324 875 E HN 0.210 nan 8.360 nan 0.000 0.403 876 R N -0.707 119.754 120.500 -0.064 0.000 2.543 876 R HA 0.206 4.545 4.340 -0.001 0.000 0.323 876 R C 1.323 177.707 176.300 0.140 0.000 1.002 876 R CA 0.653 56.653 56.100 -0.168 0.000 1.106 876 R CB 0.959 30.751 30.300 -0.847 0.000 1.280 876 R HN 0.412 nan 8.270 nan 0.000 0.549 877 G N 0.795 109.742 108.800 0.244 0.000 2.213 877 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.226 877 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.226 877 G C 0.785 175.820 174.900 0.224 0.000 0.992 877 G CA 0.266 45.591 45.100 0.376 0.000 0.632 877 G HN 0.297 nan 8.290 nan 0.000 0.511 878 L N 1.527 122.954 121.223 0.340 0.000 2.093 878 L HA 0.416 4.756 4.340 -0.001 0.000 0.208 878 L C 2.219 179.080 176.870 -0.016 0.000 1.085 878 L CA 2.733 57.648 54.840 0.125 0.000 0.755 878 L CB -0.659 41.612 42.059 0.354 0.000 0.904 878 L HN 1.740 nan 8.230 nan 0.000 0.435 879 G N -0.355 108.472 108.800 0.044 0.000 2.198 879 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.260 879 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.260 879 G C 0.052 174.962 174.900 0.016 0.000 1.025 879 G CA 0.645 45.754 45.100 0.015 0.000 0.769 879 G HN 0.807 nan 8.290 nan 0.000 0.507 880 Q N -2.165 117.658 119.800 0.038 0.000 2.647 880 Q HA 0.652 4.991 4.340 -0.001 0.000 0.283 880 Q C 0.353 176.383 176.000 0.049 0.000 0.943 880 Q CA -0.575 55.250 55.803 0.035 0.000 0.813 880 Q CB 0.371 29.126 28.738 0.028 0.000 1.477 880 Q HN 0.993 nan 8.270 nan 0.000 0.393 881 G N 0.139 108.965 108.800 0.043 0.000 2.531 881 G HA2 0.509 4.469 3.960 -0.001 0.000 0.253 881 G HA3 0.509 4.469 3.960 -0.001 0.000 0.253 881 G C -0.913 174.016 174.900 0.048 0.000 1.439 881 G CA -0.594 44.533 45.100 0.045 0.000 1.056 881 G HN 0.426 nan 8.290 nan 0.000 0.555 882 V N 0.903 120.847 119.914 0.050 0.000 2.266 882 V HA 0.332 4.451 4.120 -0.001 0.000 0.271 882 V C 0.015 176.143 176.094 0.057 0.000 1.032 882 V CA -0.123 62.212 62.300 0.059 0.000 0.806 882 V CB 0.814 32.676 31.823 0.065 0.000 1.052 882 V HN 0.505 nan 8.190 nan 0.000 0.449 883 L N 3.569 124.825 121.223 0.053 0.000 3.289 883 L HA 0.352 4.692 4.340 -0.001 0.000 0.291 883 L C 0.511 177.409 176.870 0.046 0.000 1.279 883 L CA 0.014 54.881 54.840 0.046 0.000 1.025 883 L CB 0.608 42.689 42.059 0.036 0.000 1.413 883 L HN 0.657 nan 8.230 nan 0.000 0.593 884 D N -2.611 117.824 120.400 0.059 0.000 2.538 884 D HA 0.061 4.701 4.640 -0.001 0.000 0.231 884 D C 0.196 176.534 176.300 0.063 0.000 1.229 884 D CA -0.473 53.562 54.000 0.058 0.000 0.828 884 D CB -0.292 40.550 40.800 0.070 0.000 1.035 884 D HN 0.071 nan 8.370 nan 0.000 0.495 885 N N 1.720 120.457 118.700 0.062 0.000 2.305 885 N HA 0.109 4.848 4.740 -0.001 0.000 0.232 885 N C 0.173 175.688 175.510 0.008 0.000 1.274 885 N CA 0.417 53.502 53.050 0.058 0.000 0.870 885 N CB 0.553 39.073 38.487 0.054 0.000 1.105 885 N HN 0.309 nan 8.380 nan 0.000 0.436 886 K N -1.048 119.340 120.400 -0.021 0.000 2.551 886 K HA 0.507 4.827 4.320 -0.001 0.000 0.269 886 K C -3.300 173.259 176.600 -0.069 0.000 0.949 886 K CA -1.961 54.266 56.287 -0.100 0.000 0.849 886 K CB 1.251 33.596 32.500 -0.260 0.000 1.411 886 K HN 0.129 nan 8.250 nan 0.000 0.432 887 P HA -0.026 nan 4.420 nan 0.000 0.262 887 P C -0.970 176.347 177.300 0.027 0.000 1.182 887 P CA -0.405 62.669 63.100 -0.043 0.000 0.761 887 P CB 0.724 32.388 31.700 -0.061 0.000 0.795 888 V N 5.281 125.186 119.914 -0.015 0.000 2.789 888 V HA 0.485 4.605 4.120 -0.001 0.000 0.311 888 V C -1.243 174.735 176.094 -0.194 0.000 1.073 888 V CA -1.127 61.156 62.300 -0.028 0.000 0.921 888 V CB 2.091 33.885 31.823 -0.048 0.000 1.009 888 V HN 0.290 nan 8.190 nan 0.000 0.426 889 L N 7.015 128.157 121.223 -0.136 0.000 2.264 889 L HA 0.597 4.936 4.340 -0.001 0.000 0.287 889 L C -0.401 176.451 176.870 -0.031 0.000 1.039 889 L CA 0.122 54.903 54.840 -0.098 0.000 0.829 889 L CB 0.425 42.450 42.059 -0.057 0.000 1.211 889 L HN 0.698 nan 8.230 nan 0.000 0.427 890 H N 5.781 124.866 119.070 0.024 0.000 2.548 890 H HA 0.471 5.026 4.556 -0.001 0.000 0.331 890 H C -0.107 175.108 175.328 -0.187 0.000 1.093 890 H CA -0.228 55.775 56.048 -0.075 0.000 1.367 890 H CB 1.195 30.978 29.762 0.035 0.000 1.455 890 H HN 0.703 nan 8.280 nan 0.000 0.519 891 I N 0.239 120.628 120.570 -0.302 0.000 2.646 891 I HA 0.618 4.787 4.170 -0.001 0.000 0.299 891 I C -1.389 174.366 176.117 -0.604 0.000 1.036 891 I CA -0.945 60.189 61.300 -0.276 0.000 1.074 891 I CB 2.045 39.989 38.000 -0.093 0.000 1.258 891 I HN 0.234 nan 8.210 nan 0.000 0.430 892 Y N 2.474 122.819 120.300 0.075 0.000 2.625 892 Y HA 0.692 5.241 4.550 -0.001 0.000 0.338 892 Y C -0.595 175.355 175.900 0.082 0.000 1.123 892 Y CA -1.109 57.041 58.100 0.085 0.000 1.046 892 Y CB 1.505 40.034 38.460 0.115 0.000 1.299 892 Y HN 0.416 nan 8.280 nan 0.000 0.464 893 R N 1.356 122.013 120.500 0.261 0.000 2.740 893 R HA 0.638 4.977 4.340 -0.001 0.000 0.282 893 R C -1.862 174.549 176.300 0.185 0.000 0.969 893 R CA -1.157 55.053 56.100 0.184 0.000 0.918 893 R CB 2.497 32.866 30.300 0.115 0.000 1.175 893 R HN 0.661 nan 8.270 nan 0.000 0.464 894 L N 2.143 123.456 121.223 0.150 0.000 2.343 894 L HA 0.438 4.777 4.340 -0.001 0.000 0.278 894 L C -1.276 175.625 176.870 0.052 0.000 0.996 894 L CA -0.558 54.348 54.840 0.110 0.000 0.831 894 L CB 1.890 44.031 42.059 0.137 0.000 1.232 894 L HN 0.308 nan 8.230 nan 0.000 0.413 895 V N 6.191 126.119 119.914 0.023 0.000 2.326 895 V HA 0.399 4.518 4.120 -0.001 0.000 0.281 895 V C -0.340 175.731 176.094 -0.038 0.000 1.015 895 V CA -0.563 61.731 62.300 -0.009 0.000 0.823 895 V CB 1.378 33.188 31.823 -0.021 0.000 1.009 895 V HN 0.638 nan 8.190 nan 0.000 0.436 896 L N 5.182 126.378 121.223 -0.045 0.000 2.275 896 L HA 0.661 5.000 4.340 -0.001 0.000 0.288 896 L C -0.091 176.740 176.870 -0.064 0.000 1.046 896 L CA 0.729 55.534 54.840 -0.059 0.000 0.805 896 L CB 1.005 43.025 42.059 -0.065 0.000 1.193 896 L HN 0.714 nan 8.230 nan 0.000 0.426 897 E N 3.646 123.802 120.200 -0.074 0.000 2.383 897 E HA 0.438 4.788 4.350 -0.001 0.000 0.275 897 E C -1.247 175.309 176.600 -0.073 0.000 0.918 897 E CA -1.152 55.200 56.400 -0.080 0.000 0.764 897 E CB 1.662 31.297 29.700 -0.109 0.000 1.252 897 E HN 0.295 nan 8.360 nan 0.000 0.449 898 K N 1.478 121.838 120.400 -0.067 0.000 2.201 898 K HA 0.221 4.540 4.320 -0.001 0.000 0.278 898 K C 0.356 176.914 176.600 -0.070 0.000 1.027 898 K CA -0.167 56.084 56.287 -0.059 0.000 0.909 898 K CB 1.471 33.942 32.500 -0.048 0.000 1.062 898 K HN 0.460 nan 8.250 nan 0.000 0.465 899 V N -0.521 119.353 119.914 -0.067 0.000 3.330 899 V HA 0.018 4.138 4.120 -0.001 0.000 0.309 899 V C 1.163 177.223 176.094 -0.058 0.000 1.481 899 V CA -0.175 62.077 62.300 -0.079 0.000 1.068 899 V CB -0.192 31.566 31.823 -0.108 0.000 0.935 899 V HN 0.628 nan 8.190 nan 0.000 0.453 900 N N 1.436 120.111 118.700 -0.042 0.000 2.289 900 N HA -0.173 4.566 4.740 -0.001 0.000 0.184 900 N C 1.096 176.587 175.510 -0.032 0.000 1.016 900 N CA 1.687 54.719 53.050 -0.029 0.000 0.872 900 N CB -0.624 37.851 38.487 -0.021 0.000 0.973 900 N HN 0.539 nan 8.380 nan 0.000 0.433 901 N N 0.169 118.845 118.700 -0.040 0.000 2.412 901 N HA 0.041 4.780 4.740 -0.001 0.000 0.184 901 N C -0.143 175.338 175.510 -0.050 0.000 1.101 901 N CA -0.006 53.019 53.050 -0.041 0.000 0.881 901 N CB -0.053 38.410 38.487 -0.041 0.000 0.969 901 N HN 0.233 nan 8.380 nan 0.000 0.459 902 c N 1.310 119.874 118.600 -0.061 0.000 2.644 902 c HA 0.218 4.788 4.570 -0.001 0.000 0.417 902 c C 1.050 175.102 174.090 -0.064 0.000 1.304 902 c CA -0.941 55.343 56.329 -0.074 0.000 2.035 902 c CB 0.634 43.086 42.510 -0.098 0.000 2.673 902 c HN 0.007 nan 8.230 nan 0.000 0.602 903 V N 5.575 125.447 119.914 -0.070 0.000 2.370 903 V HA 0.206 4.325 4.120 -0.001 0.000 0.257 903 V C 0.638 176.693 176.094 -0.065 0.000 1.064 903 V CA 0.362 62.625 62.300 -0.061 0.000 0.975 903 V CB -0.631 31.151 31.823 -0.067 0.000 1.067 903 V HN 0.795 nan 8.190 nan 0.000 0.485 904 R N 4.685 125.159 120.500 -0.043 0.000 2.758 904 R HA 0.541 4.881 4.340 -0.001 0.000 0.265 904 R C -2.436 173.855 176.300 -0.015 0.000 1.016 904 R CA -1.832 54.250 56.100 -0.030 0.000 1.040 904 R CB 1.045 31.333 30.300 -0.020 0.000 1.152 904 R HN 0.394 nan 8.270 nan 0.000 0.503 905 P HA -0.029 nan 4.420 nan 0.000 0.271 905 P C -0.459 176.878 177.300 0.061 0.000 1.233 905 P CA -0.221 62.860 63.100 -0.032 0.000 0.789 905 P CB 0.620 32.214 31.700 -0.178 0.000 0.951 906 S N 0.916 116.683 115.700 0.112 0.000 2.608 906 S HA 0.107 4.576 4.470 -0.001 0.000 0.261 906 S C 1.120 175.803 174.600 0.137 0.000 1.314 906 S CA -0.233 58.035 58.200 0.113 0.000 0.992 906 S CB 0.350 63.616 63.200 0.110 0.000 0.935 906 S HN 0.299 nan 8.310 nan 0.000 0.564 907 K N 0.389 120.850 120.400 0.103 0.000 2.152 907 K HA -0.022 4.297 4.320 -0.001 0.000 0.206 907 K C 1.649 178.306 176.600 0.094 0.000 1.048 907 K CA 1.264 57.608 56.287 0.095 0.000 0.933 907 K CB -0.638 31.902 32.500 0.066 0.000 0.721 907 K HN 0.584 nan 8.250 nan 0.000 0.447 908 L N 0.219 121.498 121.223 0.094 0.000 2.554 908 L HA 0.027 4.367 4.340 -0.001 0.000 0.226 908 L C 1.240 178.164 176.870 0.089 0.000 1.137 908 L CA -0.088 54.793 54.840 0.068 0.000 0.863 908 L CB -0.418 41.666 42.059 0.043 0.000 0.985 908 L HN 0.207 nan 8.230 nan 0.000 0.451 909 H N 2.823 121.930 119.070 0.063 0.000 2.683 909 H HA 0.107 4.662 4.556 -0.001 0.000 0.339 909 H C -1.709 173.661 175.328 0.070 0.000 1.081 909 H CA -1.519 54.580 56.048 0.085 0.000 1.432 909 H CB 1.839 31.678 29.762 0.129 0.000 1.462 909 H HN -0.092 nan 8.280 nan 0.000 0.557 910 P HA 0.164 nan 4.420 nan 0.000 0.255 910 P C -0.393 177.018 177.300 0.185 0.000 1.248 910 P CA 0.131 63.281 63.100 0.082 0.000 0.807 910 P CB 0.555 32.228 31.700 -0.046 0.000 1.150 911 A N -0.283 122.809 122.820 0.454 0.000 2.299 911 A HA 0.765 5.084 4.320 -0.001 0.000 0.332 911 A C 0.242 177.885 177.584 0.099 0.000 1.131 911 A CA -0.348 51.820 52.037 0.219 0.000 0.844 911 A CB 1.088 20.211 19.000 0.206 0.000 1.251 911 A HN 0.161 nan 8.150 nan 0.000 0.486 912 G N -1.429 107.303 108.800 -0.112 0.000 2.658 912 G HA2 0.634 4.593 3.960 -0.001 0.000 0.292 912 G HA3 0.634 4.593 3.960 -0.001 0.000 0.292 912 G C -1.849 172.646 174.900 -0.675 0.000 1.320 912 G CA -0.416 44.529 45.100 -0.258 0.000 0.933 912 G HN 0.526 nan 8.290 nan 0.000 0.476 913 Y N -0.861 119.385 120.300 -0.089 0.000 2.524 913 Y HA 0.495 5.044 4.550 -0.001 0.000 0.347 913 Y C 0.412 176.057 175.900 -0.425 0.000 1.005 913 Y CA -0.842 57.141 58.100 -0.196 0.000 1.025 913 Y CB 2.005 40.348 38.460 -0.195 0.000 1.275 913 Y HN 0.350 nan 8.280 nan 0.000 0.460 914 L N 2.090 123.129 121.223 -0.306 0.000 2.472 914 L HA 0.332 4.672 4.340 -0.001 0.000 0.260 914 L C 0.748 177.461 176.870 -0.261 0.000 1.209 914 L CA -0.428 54.167 54.840 -0.410 0.000 0.817 914 L CB 0.689 42.587 42.059 -0.269 0.000 1.106 914 L HN 0.798 nan 8.230 nan 0.000 0.479 915 T N -2.610 111.785 114.554 -0.264 0.000 2.847 915 T HA 0.061 4.411 4.350 -0.001 0.000 0.279 915 T C 1.139 175.784 174.700 -0.093 0.000 0.984 915 T CA -0.156 61.838 62.100 -0.176 0.000 0.988 915 T CB 1.472 70.234 68.868 -0.177 0.000 1.040 915 T HN 0.621 nan 8.240 nan 0.000 0.528 916 S N 0.531 116.189 115.700 -0.071 0.000 2.359 916 S HA -0.160 4.309 4.470 -0.001 0.000 0.224 916 S C 2.354 176.961 174.600 0.013 0.000 1.035 916 S CA 1.521 59.712 58.200 -0.015 0.000 1.018 916 S CB -1.266 61.909 63.200 -0.040 0.000 0.876 916 S HN 0.929 nan 8.310 nan 0.000 0.448 917 A N 1.213 124.017 122.820 -0.026 0.000 1.933 917 A HA 0.208 4.527 4.320 -0.001 0.000 0.218 917 A C 2.480 180.060 177.584 -0.007 0.000 1.175 917 A CA 1.938 53.964 52.037 -0.018 0.000 0.628 917 A CB -1.347 17.632 19.000 -0.035 0.000 0.814 917 A HN 0.835 nan 8.150 nan 0.000 0.444 918 A N -1.469 121.335 122.820 -0.027 0.000 1.897 918 A HA -0.144 4.175 4.320 -0.001 0.000 0.215 918 A C 2.114 179.730 177.584 0.054 0.000 1.181 918 A CA 1.529 53.554 52.037 -0.020 0.000 0.620 918 A CB -0.940 17.992 19.000 -0.112 0.000 0.821 918 A HN 0.765 nan 8.150 nan 0.000 0.443 919 H N 0.181 119.235 119.070 -0.027 0.000 2.319 919 H HA -0.096 4.459 4.556 -0.001 0.000 0.299 919 H C 1.840 177.203 175.328 0.058 0.000 1.092 919 H CA 1.966 58.035 56.048 0.035 0.000 1.302 919 H CB -0.044 29.732 29.762 0.022 0.000 1.373 919 H HN 0.436 nan 8.280 nan 0.000 0.497 920 K N 0.144 120.520 120.400 -0.041 0.000 2.097 920 K HA -0.080 4.240 4.320 -0.001 0.000 0.206 920 K C 2.397 178.967 176.600 -0.050 0.000 1.049 920 K CA 0.857 57.095 56.287 -0.080 0.000 0.933 920 K CB -0.038 32.458 32.500 -0.007 0.000 0.717 920 K HN 0.277 nan 8.250 nan 0.000 0.442 921 A N 0.874 123.688 122.820 -0.011 0.000 1.898 921 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 921 A C 2.217 179.809 177.584 0.013 0.000 1.181 921 A CA 1.980 54.025 52.037 0.012 0.000 0.620 921 A CB -0.666 18.354 19.000 0.035 0.000 0.819 921 A HN 0.277 nan 8.150 nan 0.000 0.442 922 S N -0.575 115.137 115.700 0.020 0.000 2.359 922 S HA -0.257 4.212 4.470 -0.001 0.000 0.224 922 S C 2.154 176.747 174.600 -0.011 0.000 1.035 922 S CA 1.805 60.032 58.200 0.045 0.000 1.018 922 S CB -0.440 62.833 63.200 0.122 0.000 0.876 922 S HN 0.674 nan 8.310 nan 0.000 0.448 923 Q N 0.628 120.376 119.800 -0.087 0.000 2.135 923 Q HA -0.116 4.223 4.340 -0.001 0.000 0.204 923 Q C 2.535 178.494 176.000 -0.067 0.000 0.981 923 Q CA 1.806 57.557 55.803 -0.087 0.000 0.856 923 Q CB -0.387 28.274 28.738 -0.128 0.000 0.902 923 Q HN 0.827 nan 8.270 nan 0.000 0.425 924 S N 0.311 115.980 115.700 -0.051 0.000 2.419 924 S HA -0.097 4.372 4.470 -0.001 0.000 0.233 924 S C 1.871 176.427 174.600 -0.073 0.000 1.016 924 S CA 0.765 58.933 58.200 -0.053 0.000 0.974 924 S CB -0.269 62.916 63.200 -0.025 0.000 0.786 924 S HN 0.284 nan 8.310 nan 0.000 0.492 925 L N 0.065 121.255 121.223 -0.055 0.000 2.102 925 L HA 0.209 4.548 4.340 -0.001 0.000 0.202 925 L C 2.584 179.395 176.870 -0.099 0.000 1.076 925 L CA 0.735 55.537 54.840 -0.063 0.000 0.761 925 L CB -0.417 41.624 42.059 -0.031 0.000 0.921 925 L HN 0.274 nan 8.230 nan 0.000 0.444 926 L N -1.026 120.144 121.223 -0.088 0.000 2.162 926 L HA -0.004 4.336 4.340 -0.001 0.000 0.205 926 L C 0.214 176.971 176.870 -0.189 0.000 1.086 926 L CA 0.905 55.679 54.840 -0.110 0.000 0.778 926 L CB 0.051 42.069 42.059 -0.069 0.000 0.928 926 L HN 0.234 nan 8.230 nan 0.000 0.446 927 D N 0.107 120.380 120.400 -0.213 0.000 2.613 927 D HA 0.231 4.871 4.640 -0.001 0.000 0.312 927 D C -2.360 173.737 176.300 -0.337 0.000 1.202 927 D CA -0.991 52.817 54.000 -0.319 0.000 0.825 927 D CB 1.270 42.058 40.800 -0.021 0.000 1.113 927 D HN 0.054 nan 8.370 nan 0.000 0.502 928 P HA 0.106 nan 4.420 nan 0.000 0.273 928 P C 0.642 177.819 177.300 -0.207 0.000 1.250 928 P CA -0.467 62.478 63.100 -0.259 0.000 0.793 928 P CB 1.411 32.967 31.700 -0.239 0.000 1.011 929 L N 0.884 122.039 121.223 -0.112 0.000 2.514 929 L HA 0.057 4.396 4.340 -0.001 0.000 0.280 929 L C 0.875 177.723 176.870 -0.035 0.000 1.223 929 L CA 0.491 55.304 54.840 -0.045 0.000 0.864 929 L CB -0.389 41.663 42.059 -0.012 0.000 1.118 929 L HN 0.274 nan 8.230 nan 0.000 0.494 930 D N 3.231 123.671 120.400 0.067 0.000 2.210 930 D HA 0.303 4.942 4.640 -0.001 0.000 0.249 930 D C -0.266 176.022 176.300 -0.020 0.000 1.062 930 D CA -0.258 53.727 54.000 -0.026 0.000 0.891 930 D CB 1.613 42.430 40.800 0.027 0.000 1.186 930 D HN 0.373 nan 8.370 nan 0.000 0.432 931 K N 1.512 121.794 120.400 -0.196 0.000 2.292 931 K HA 0.457 4.777 4.320 -0.001 0.000 0.257 931 K C -0.934 175.599 176.600 -0.112 0.000 0.940 931 K CA -0.643 55.661 56.287 0.028 0.000 0.811 931 K CB 1.461 33.942 32.500 -0.031 0.000 1.120 931 K HN 0.223 nan 8.250 nan 0.000 0.428 932 F N 2.603 122.735 119.950 0.303 0.000 2.520 932 F HA 0.488 5.014 4.527 -0.001 0.000 0.322 932 F C 0.080 176.169 175.800 0.481 0.000 1.103 932 F CA -0.894 57.286 58.000 0.299 0.000 0.926 932 F CB 1.247 40.261 39.000 0.023 0.000 1.154 932 F HN 0.195 nan 8.300 nan 0.000 0.453 933 I N 3.443 124.395 120.570 0.637 0.000 2.339 933 I HA 0.207 4.376 4.170 -0.001 0.000 0.290 933 I C -0.496 175.907 176.117 0.476 0.000 0.994 933 I CA -0.847 60.751 61.300 0.497 0.000 1.191 933 I CB 1.184 39.380 38.000 0.326 0.000 1.343 933 I HN 0.437 nan 8.210 nan 0.000 0.458 934 F N 5.787 125.909 119.950 0.287 0.000 2.608 934 F HA 0.121 4.647 4.527 -0.001 0.000 0.380 934 F C 1.208 176.938 175.800 -0.118 0.000 1.083 934 F CA 0.137 58.018 58.000 -0.198 0.000 1.266 934 F CB 1.088 40.013 39.000 -0.124 0.000 1.076 934 F HN 0.595 nan 8.300 nan 0.000 0.574 935 A N 4.490 126.681 122.820 -1.047 0.000 2.081 935 A HA 0.102 4.421 4.320 -0.001 0.000 0.214 935 A C 0.916 178.221 177.584 -0.465 0.000 1.158 935 A CA 0.531 52.216 52.037 -0.587 0.000 0.724 935 A CB -0.269 18.407 19.000 -0.540 0.000 0.826 935 A HN 0.784 nan 8.150 nan 0.000 0.463 936 E N -1.206 118.584 120.200 -0.682 0.000 2.518 936 E HA 0.227 4.576 4.350 -0.001 0.000 0.248 936 E C 0.057 176.778 176.600 0.201 0.000 1.028 936 E CA -0.873 55.443 56.400 -0.139 0.000 0.922 936 E CB 0.426 30.095 29.700 -0.051 0.000 1.299 936 E HN 0.128 nan 8.360 nan 0.000 0.457 937 N N 0.500 119.340 118.700 0.233 0.000 2.250 937 N HA -0.044 4.695 4.740 -0.001 0.000 0.181 937 N C -0.358 175.343 175.510 0.319 0.000 1.017 937 N CA 0.923 54.117 53.050 0.241 0.000 0.866 937 N CB 0.348 38.927 38.487 0.153 0.000 0.985 937 N HN 0.371 nan 8.380 nan 0.000 0.429 938 E N -0.706 119.705 120.200 0.351 0.000 2.256 938 E HA 0.111 4.460 4.350 -0.001 0.000 0.268 938 E C -1.497 175.225 176.600 0.203 0.000 0.877 938 E CA -0.673 55.869 56.400 0.237 0.000 0.757 938 E CB 1.264 31.050 29.700 0.143 0.000 1.183 938 E HN 0.020 nan 8.360 nan 0.000 0.418 939 W N 7.588 128.605 121.300 -0.472 0.000 2.289 939 W HA 0.398 5.057 4.660 -0.001 0.000 0.342 939 W C -1.435 174.866 176.519 -0.363 0.000 0.958 939 W CA -1.330 55.525 57.345 -0.817 0.000 1.492 939 W CB -0.284 28.106 29.460 -1.783 0.000 1.336 939 W HN 0.422 nan 8.180 nan 0.000 0.371 940 I N 5.308 125.947 120.570 0.114 0.000 2.496 940 I HA 0.335 4.505 4.170 -0.001 0.000 0.285 940 I C 1.504 177.593 176.117 -0.046 0.000 1.080 940 I CA 1.439 62.740 61.300 0.002 0.000 1.404 940 I CB 0.792 38.827 38.000 0.058 0.000 1.403 940 I HN 0.766 nan 8.210 nan 0.000 0.539 941 G N 4.121 112.807 108.800 -0.190 0.000 2.157 941 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.248 941 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.248 941 G C 0.437 175.093 174.900 -0.407 0.000 0.979 941 G CA -0.171 44.814 45.100 -0.192 0.000 0.650 941 G HN 1.037 nan 8.290 nan 0.000 0.529 942 A N -0.194 122.107 122.820 -0.865 0.000 2.531 942 A HA 0.532 4.851 4.320 -0.001 0.000 0.236 942 A C 0.613 177.765 177.584 -0.720 0.000 1.062 942 A CA 0.854 52.031 52.037 -1.435 0.000 0.760 942 A CB 0.208 17.914 19.000 -2.156 0.000 0.995 942 A HN 0.643 nan 8.150 nan 0.000 0.501 943 Q N 0.996 120.457 119.800 -0.565 0.000 2.351 943 Q HA 0.512 4.851 4.340 -0.001 0.000 0.273 943 Q C 1.113 177.001 176.000 -0.186 0.000 1.077 943 Q CA -0.279 55.361 55.803 -0.271 0.000 0.843 943 Q CB 1.845 30.493 28.738 -0.150 0.000 1.367 943 Q HN 0.789 nan 8.270 nan 0.000 0.449 944 G N 0.257 108.986 108.800 -0.118 0.000 2.464 944 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.217 944 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.217 944 G C 0.284 175.164 174.900 -0.033 0.000 1.138 944 G CA 0.680 45.730 45.100 -0.083 0.000 0.793 944 G HN 0.465 nan 8.290 nan 0.000 0.539 945 Q N -1.671 118.124 119.800 -0.008 0.000 2.527 945 Q HA 0.508 4.848 4.340 -0.001 0.000 0.280 945 Q C -2.370 173.657 176.000 0.046 0.000 0.977 945 Q CA -0.929 54.883 55.803 0.016 0.000 0.837 945 Q CB 2.093 30.826 28.738 -0.008 0.000 1.454 945 Q HN 0.069 nan 8.270 nan 0.000 0.387 946 F N 0.976 120.833 119.950 -0.156 0.000 2.569 946 F HA 0.658 5.185 4.527 -0.001 0.000 0.312 946 F C 0.437 175.986 175.800 -0.418 0.000 1.109 946 F CA 0.439 58.279 58.000 -0.266 0.000 0.919 946 F CB 2.078 40.928 39.000 -0.249 0.000 1.211 946 F HN 0.659 nan 8.300 nan 0.000 0.446 947 G N 2.983 110.809 108.800 -1.622 0.000 2.144 947 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.218 947 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.218 947 G C 1.014 175.216 174.900 -1.163 0.000 0.988 947 G CA 0.196 43.995 45.100 -2.168 0.000 0.659 947 G HN 1.580 nan 8.290 nan 0.000 0.522 948 G N 1.192 109.610 108.800 -0.637 0.000 2.462 948 G HA2 0.005 3.964 3.960 -0.001 0.000 0.220 948 G HA3 0.005 3.964 3.960 -0.001 0.000 0.220 948 G C 1.211 176.040 174.900 -0.118 0.000 1.121 948 G CA 1.821 46.787 45.100 -0.224 0.000 0.758 948 G HN 0.856 nan 8.290 nan 0.000 0.559 949 D N -0.835 119.421 120.400 -0.240 0.000 2.363 949 D HA 0.034 4.674 4.640 -0.001 0.000 0.214 949 D C 0.239 176.534 176.300 -0.008 0.000 1.093 949 D CA -0.552 53.403 54.000 -0.076 0.000 0.837 949 D CB -0.954 39.808 40.800 -0.063 0.000 0.948 949 D HN 0.456 nan 8.370 nan 0.000 0.507 950 H N 1.243 120.202 119.070 -0.184 0.000 2.764 950 H HA 0.224 4.779 4.556 -0.001 0.000 0.341 950 H C -1.979 173.312 175.328 -0.062 0.000 1.072 950 H CA -1.720 54.244 56.048 -0.141 0.000 1.444 950 H CB 0.586 30.210 29.762 -0.229 0.000 1.458 950 H HN 0.006 nan 8.280 nan 0.000 0.572 951 P HA -0.054 nan 4.420 nan 0.000 0.268 951 P C -0.528 176.833 177.300 0.101 0.000 1.205 951 P CA 0.034 63.193 63.100 0.097 0.000 0.771 951 P CB 0.754 32.490 31.700 0.060 0.000 0.858 952 S N 2.165 117.959 115.700 0.157 0.000 2.464 952 S HA 0.564 5.033 4.470 -0.001 0.000 0.313 952 S C 0.057 174.754 174.600 0.162 0.000 1.078 952 S CA -0.577 57.741 58.200 0.196 0.000 1.096 952 S CB -0.720 62.709 63.200 0.382 0.000 1.032 952 S HN 0.503 nan 8.310 nan 0.000 0.498 953 A N 4.401 127.309 122.820 0.146 0.000 2.332 953 A HA 0.486 4.806 4.320 -0.001 0.000 0.258 953 A C 0.567 178.205 177.584 0.090 0.000 1.087 953 A CA -0.526 51.577 52.037 0.109 0.000 0.802 953 A CB 0.200 19.265 19.000 0.109 0.000 1.042 953 A HN 0.899 nan 8.150 nan 0.000 0.489 954 R N 0.100 120.623 120.500 0.039 0.000 2.638 954 R HA -0.035 4.304 4.340 -0.001 0.000 0.268 954 R C 1.454 177.749 176.300 -0.008 0.000 1.006 954 R CA 0.926 57.021 56.100 -0.009 0.000 1.088 954 R CB 0.331 30.614 30.300 -0.028 0.000 0.950 954 R HN 0.922 nan 8.270 nan 0.000 0.419 955 E N 2.054 122.209 120.200 -0.074 0.000 2.267 955 E HA -0.247 4.102 4.350 -0.001 0.000 0.197 955 E C 0.345 176.962 176.600 0.029 0.000 0.998 955 E CA 1.606 57.944 56.400 -0.105 0.000 0.830 955 E CB -0.061 29.558 29.700 -0.135 0.000 0.751 955 E HN 0.761 nan 8.360 nan 0.000 0.491 956 D N 0.660 121.039 120.400 -0.034 0.000 2.355 956 D HA -0.027 4.613 4.640 -0.001 0.000 0.218 956 D C 0.491 176.780 176.300 -0.017 0.000 1.004 956 D CA -0.084 53.853 54.000 -0.105 0.000 0.880 956 D CB -0.095 40.587 40.800 -0.197 0.000 0.911 956 D HN 0.168 nan 8.370 nan 0.000 0.528 957 L N 1.025 122.282 121.223 0.057 0.000 2.312 957 L HA 0.454 4.793 4.340 -0.001 0.000 0.281 957 L C -0.868 176.127 176.870 0.208 0.000 1.070 957 L CA -0.287 54.612 54.840 0.098 0.000 0.805 957 L CB 1.361 43.466 42.059 0.077 0.000 1.174 957 L HN -0.191 nan 8.230 nan 0.000 0.434 958 D N 2.428 122.975 120.400 0.245 0.000 2.527 958 D HA 0.369 5.009 4.640 -0.001 0.000 0.233 958 D C -1.278 175.183 176.300 0.268 0.000 1.063 958 D CA -0.308 53.859 54.000 0.280 0.000 0.880 958 D CB 2.305 43.318 40.800 0.356 0.000 1.457 958 D HN 0.220 nan 8.370 nan 0.000 0.475 959 V N 3.295 123.346 119.914 0.227 0.000 2.299 959 V HA 0.132 4.251 4.120 -0.001 0.000 0.255 959 V C 1.263 177.494 176.094 0.227 0.000 1.100 959 V CA -0.032 62.414 62.300 0.242 0.000 0.938 959 V CB 0.438 32.392 31.823 0.218 0.000 1.139 959 V HN 0.583 nan 8.190 nan 0.000 0.490 960 S N 3.113 118.977 115.700 0.273 0.000 2.402 960 S HA 0.003 4.472 4.470 -0.001 0.000 0.229 960 S C 0.635 175.291 174.600 0.094 0.000 1.021 960 S CA 0.823 59.139 58.200 0.194 0.000 0.974 960 S CB 0.182 63.562 63.200 0.301 0.000 0.800 960 S HN 0.507 nan 8.310 nan 0.000 0.484 961 V N 1.342 121.350 119.914 0.157 0.000 2.808 961 V HA 0.491 4.610 4.120 -0.001 0.000 0.308 961 V C -0.864 175.305 176.094 0.126 0.000 1.099 961 V CA -0.543 61.825 62.300 0.114 0.000 0.920 961 V CB 1.963 33.870 31.823 0.141 0.000 1.014 961 V HN 0.337 nan 8.190 nan 0.000 0.425 962 M N 5.430 125.025 119.600 -0.008 0.000 2.142 962 M HA 0.669 5.148 4.480 -0.001 0.000 0.299 962 M C -1.000 175.139 176.300 -0.268 0.000 0.960 962 M CA -0.515 54.646 55.300 -0.231 0.000 0.920 962 M CB 1.404 33.865 32.600 -0.230 0.000 1.541 962 M HN 0.756 nan 8.290 nan 0.000 0.429 963 R N 4.145 124.426 120.500 -0.365 0.000 2.514 963 R HA 0.429 4.768 4.340 -0.001 0.000 0.296 963 R C -1.222 174.856 176.300 -0.369 0.000 1.012 963 R CA -0.690 55.244 56.100 -0.277 0.000 0.897 963 R CB 1.745 31.976 30.300 -0.115 0.000 1.184 963 R HN 0.870 nan 8.270 nan 0.000 0.440 964 R N 4.464 124.797 120.500 -0.278 0.000 2.449 964 R HA 0.073 4.412 4.340 -0.001 0.000 0.296 964 R C 0.201 176.395 176.300 -0.177 0.000 1.047 964 R CA 0.234 56.201 56.100 -0.222 0.000 1.018 964 R CB 0.539 30.764 30.300 -0.126 0.000 0.962 964 R HN 0.706 nan 8.270 nan 0.000 0.428 965 L N 3.146 124.257 121.223 -0.187 0.000 2.616 965 L HA 0.138 4.477 4.340 -0.001 0.000 0.229 965 L C 0.382 177.202 176.870 -0.083 0.000 1.110 965 L CA 0.014 54.765 54.840 -0.148 0.000 0.884 965 L CB 0.431 42.366 42.059 -0.207 0.000 1.115 965 L HN 0.699 nan 8.230 nan 0.000 0.481 966 T N -2.932 111.584 114.554 -0.064 0.000 2.885 966 T HA 0.438 4.788 4.350 -0.001 0.000 0.285 966 T C -0.180 174.513 174.700 -0.012 0.000 1.019 966 T CA -0.926 61.153 62.100 -0.034 0.000 1.010 966 T CB 2.402 71.255 68.868 -0.025 0.000 1.022 966 T HN -0.099 nan 8.240 nan 0.000 0.466 967 K N 0.916 121.314 120.400 -0.002 0.000 2.118 967 K HA 0.300 4.619 4.320 -0.001 0.000 0.240 967 K C 1.637 178.251 176.600 0.023 0.000 1.035 967 K CA -0.193 56.103 56.287 0.016 0.000 0.899 967 K CB 0.630 33.138 32.500 0.013 0.000 1.085 967 K HN 0.822 nan 8.250 nan 0.000 0.498 968 S N -0.712 115.010 115.700 0.037 0.000 2.447 968 S HA -0.138 4.332 4.470 -0.001 0.000 0.233 968 S C 1.831 176.446 174.600 0.025 0.000 1.006 968 S CA 1.352 59.573 58.200 0.035 0.000 0.957 968 S CB -0.295 62.933 63.200 0.047 0.000 0.773 968 S HN 0.642 nan 8.310 nan 0.000 0.507 969 S N 1.760 117.474 115.700 0.022 0.000 2.515 969 S HA 0.374 4.844 4.470 -0.001 0.000 0.231 969 S C 0.858 175.465 174.600 0.012 0.000 0.987 969 S CA 0.093 58.303 58.200 0.018 0.000 0.936 969 S CB -0.704 62.507 63.200 0.018 0.000 0.766 969 S HN 0.768 nan 8.310 nan 0.000 0.528 970 A N 1.936 124.761 122.820 0.008 0.000 2.491 970 A HA 0.333 4.652 4.320 -0.001 0.000 0.261 970 A C 1.270 178.859 177.584 0.008 0.000 1.101 970 A CA -0.224 51.815 52.037 0.003 0.000 0.772 970 A CB 0.106 19.105 19.000 -0.002 0.000 1.043 970 A HN 0.516 nan 8.150 nan 0.000 0.501 971 K N 1.908 122.311 120.400 0.006 0.000 2.032 971 K HA -0.103 4.216 4.320 -0.001 0.000 0.209 971 K C 0.191 176.799 176.600 0.013 0.000 1.048 971 K CA 1.787 58.079 56.287 0.009 0.000 0.927 971 K CB -0.078 32.425 32.500 0.005 0.000 0.712 971 K HN 0.655 nan 8.250 nan 0.000 0.441 972 T N 2.470 117.029 114.554 0.007 0.000 2.738 972 T HA 0.176 4.525 4.350 -0.001 0.000 0.298 972 T C -0.809 173.902 174.700 0.019 0.000 0.962 972 T CA -0.659 61.448 62.100 0.011 0.000 0.972 972 T CB 1.409 70.272 68.868 -0.008 0.000 0.928 972 T HN 0.102 nan 8.240 nan 0.000 0.474 973 Q N 2.822 122.653 119.800 0.053 0.000 2.293 973 Q HA 0.401 4.741 4.340 -0.001 0.000 0.251 973 Q C 0.079 176.132 176.000 0.089 0.000 0.930 973 Q CA 0.032 55.870 55.803 0.058 0.000 0.893 973 Q CB 1.360 30.134 28.738 0.061 0.000 1.215 973 Q HN 0.552 nan 8.270 nan 0.000 0.425 974 R N 0.402 120.918 120.500 0.027 0.000 2.621 974 R HA 0.669 5.009 4.340 -0.001 0.000 0.292 974 R C -1.054 175.197 176.300 -0.081 0.000 0.969 974 R CA -0.692 55.407 56.100 -0.000 0.000 0.887 974 R CB 1.845 32.110 30.300 -0.059 0.000 1.180 974 R HN 0.251 nan 8.270 nan 0.000 0.450 975 V N 1.477 121.336 119.914 -0.091 0.000 2.531 975 V HA 0.556 4.675 4.120 -0.001 0.000 0.301 975 V C 0.208 176.022 176.094 -0.467 0.000 1.034 975 V CA -0.895 61.220 62.300 -0.308 0.000 0.865 975 V CB 1.992 33.641 31.823 -0.289 0.000 0.995 975 V HN 0.949 nan 8.190 nan 0.000 0.424 976 G N 3.084 111.403 108.800 -0.801 0.000 2.367 976 G HA2 0.636 4.596 3.960 -0.001 0.000 0.314 976 G HA3 0.636 4.596 3.960 -0.001 0.000 0.314 976 G C -1.551 172.932 174.900 -0.695 0.000 1.130 976 G CA -0.224 44.211 45.100 -1.108 0.000 0.864 976 G HN 0.513 nan 8.290 nan 0.000 0.486 977 Y N 0.385 120.768 120.300 0.139 0.000 2.442 977 Y HA 0.460 5.009 4.550 -0.001 0.000 0.344 977 Y C -0.139 176.041 175.900 0.468 0.000 0.976 977 Y CA -0.899 57.374 58.100 0.288 0.000 1.040 977 Y CB 2.763 41.353 38.460 0.217 0.000 1.228 977 Y HN 0.352 nan 8.280 nan 0.000 0.451 978 V N 4.993 125.210 119.914 0.504 0.000 2.370 978 V HA 0.367 4.486 4.120 -0.001 0.000 0.283 978 V C -0.385 175.941 176.094 0.387 0.000 1.023 978 V CA -0.747 61.777 62.300 0.372 0.000 0.857 978 V CB 1.417 33.407 31.823 0.279 0.000 0.985 978 V HN 0.618 nan 8.190 nan 0.000 0.443 979 L N 4.778 126.216 121.223 0.359 0.000 2.296 979 L HA 0.573 4.913 4.340 -0.001 0.000 0.286 979 L C -0.727 176.342 176.870 0.332 0.000 1.023 979 L CA -0.524 54.518 54.840 0.337 0.000 0.812 979 L CB 1.408 43.666 42.059 0.332 0.000 1.223 979 L HN 0.750 nan 8.230 nan 0.000 0.421 980 H N 4.247 123.469 119.070 0.254 0.000 2.589 980 H HA 0.471 5.026 4.556 -0.001 0.000 0.351 980 H C -1.122 174.296 175.328 0.151 0.000 1.074 980 H CA -0.632 55.538 56.048 0.203 0.000 1.203 980 H CB 1.483 31.440 29.762 0.324 0.000 1.558 980 H HN 0.456 nan 8.280 nan 0.000 0.522 981 R N 4.253 124.382 120.500 -0.617 0.000 2.437 981 R HA 0.321 4.661 4.340 -0.001 0.000 0.310 981 R C -0.472 175.424 176.300 -0.673 0.000 0.955 981 R CA -0.506 55.330 56.100 -0.439 0.000 0.851 981 R CB 1.523 31.692 30.300 -0.218 0.000 1.161 981 R HN 0.782 nan 8.270 nan 0.000 0.446 982 T N 1.399 115.705 114.554 -0.414 0.000 2.833 982 T HA 0.211 4.560 4.350 -0.001 0.000 0.292 982 T C -0.551 173.981 174.700 -0.280 0.000 1.031 982 T CA -0.438 61.509 62.100 -0.254 0.000 0.937 982 T CB 0.602 69.405 68.868 -0.109 0.000 1.256 982 T HN 0.674 nan 8.240 nan 0.000 0.551 983 N N 0.481 119.039 118.700 -0.236 0.000 2.410 983 N HA 0.463 5.203 4.740 -0.001 0.000 0.287 983 N C -1.512 173.834 175.510 -0.273 0.000 1.044 983 N CA -0.491 52.359 53.050 -0.333 0.000 0.881 983 N CB 0.721 38.863 38.487 -0.575 0.000 1.405 983 N HN 0.475 nan 8.380 nan 0.000 0.490 984 L N 2.597 123.654 121.223 -0.276 0.000 2.325 984 L HA 0.534 4.874 4.340 -0.001 0.000 0.278 984 L C 0.548 177.289 176.870 -0.216 0.000 1.023 984 L CA -1.001 53.709 54.840 -0.216 0.000 0.811 984 L CB 1.434 43.374 42.059 -0.199 0.000 1.249 984 L HN 0.376 nan 8.230 nan 0.000 0.431 985 M N 2.480 121.974 119.600 -0.177 0.000 2.252 985 M HA 0.046 4.526 4.480 -0.001 0.000 0.348 985 M C -0.147 176.065 176.300 -0.148 0.000 1.334 985 M CA 0.214 55.414 55.300 -0.166 0.000 1.071 985 M CB 0.358 32.862 32.600 -0.159 0.000 1.763 985 M HN 0.489 nan 8.290 nan 0.000 0.452 986 Q N 2.401 122.118 119.800 -0.138 0.000 2.314 986 Q HA 0.187 4.527 4.340 -0.001 0.000 0.257 986 Q C -0.061 175.882 176.000 -0.095 0.000 0.975 986 Q CA 0.096 55.833 55.803 -0.111 0.000 0.933 986 Q CB 0.910 29.586 28.738 -0.103 0.000 1.195 986 Q HN 0.795 nan 8.270 nan 0.000 0.426 987 c N 0.604 119.152 118.600 -0.087 0.000 3.115 987 c HA 0.353 4.922 4.570 -0.001 0.000 0.277 987 c C 1.224 175.277 174.090 -0.062 0.000 1.460 987 c CA -0.023 56.260 56.329 -0.077 0.000 1.789 987 c CB -0.388 42.071 42.510 -0.085 0.000 2.674 987 c HN 1.019 nan 8.230 nan 0.000 0.582 988 G N 1.638 110.403 108.800 -0.059 0.000 2.132 988 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.228 988 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.228 988 G C -0.085 174.789 174.900 -0.044 0.000 1.000 988 G CA 0.296 45.368 45.100 -0.047 0.000 0.693 988 G HN 0.449 nan 8.290 nan 0.000 0.515 989 T N 1.692 116.216 114.554 -0.049 0.000 2.729 989 T HA 0.456 4.805 4.350 -0.001 0.000 0.296 989 T C -0.435 174.239 174.700 -0.043 0.000 0.928 989 T CA -0.533 61.541 62.100 -0.044 0.000 1.045 989 T CB 1.792 70.631 68.868 -0.049 0.000 0.902 989 T HN 0.044 nan 8.240 nan 0.000 0.500 990 P HA -0.122 nan 4.420 nan 0.000 0.216 990 P C 0.770 178.049 177.300 -0.034 0.000 1.153 990 P CA 0.729 63.812 63.100 -0.028 0.000 0.858 990 P CB 0.101 31.793 31.700 -0.015 0.000 0.789 991 E N -2.277 117.901 120.200 -0.037 0.000 2.885 991 E HA -0.291 4.058 4.350 -0.001 0.000 0.267 991 E C 0.541 177.087 176.600 -0.091 0.000 1.100 991 E CA 0.287 56.651 56.400 -0.060 0.000 0.779 991 E CB -0.427 29.232 29.700 -0.068 0.000 1.383 991 E HN 0.224 nan 8.360 nan 0.000 0.443 992 E N 0.189 120.352 120.200 -0.061 0.000 4.019 992 E HA 0.058 4.407 4.350 -0.001 0.000 0.547 992 E C -0.201 176.303 176.600 -0.160 0.000 0.480 992 E CA 0.629 56.989 56.400 -0.067 0.000 3.361 992 E CB -0.334 29.363 29.700 -0.006 0.000 2.299 992 E HN 0.472 nan 8.360 nan 0.000 0.456 993 H N -0.460 118.603 119.070 -0.012 0.000 2.343 993 H HA -0.158 4.398 4.556 -0.001 0.000 0.285 993 H C -1.062 174.270 175.328 0.006 0.000 0.784 993 H CA 0.881 56.926 56.048 -0.005 0.000 0.935 993 H CB -1.916 27.842 29.762 -0.007 0.000 1.522 993 H HN 0.304 nan 8.280 nan 0.000 0.276 994 T N 1.661 116.226 114.554 0.019 0.000 2.865 994 T HA 0.518 4.868 4.350 -0.001 0.000 0.294 994 T C -0.289 174.454 174.700 0.071 0.000 1.119 994 T CA -1.156 60.961 62.100 0.028 0.000 1.007 994 T CB 2.183 71.034 68.868 -0.027 0.000 1.225 994 T HN 0.654 nan 8.240 nan 0.000 0.515 995 Q N 0.802 120.652 119.800 0.084 0.000 2.261 995 Q HA 0.372 4.711 4.340 -0.001 0.000 0.252 995 Q C -0.265 175.760 176.000 0.041 0.000 0.915 995 Q CA -0.810 55.034 55.803 0.068 0.000 0.915 995 Q CB 1.424 30.213 28.738 0.085 0.000 1.204 995 Q HN 0.564 nan 8.270 nan 0.000 0.421 996 K N 2.080 122.493 120.400 0.021 0.000 2.451 996 K HA 0.039 4.358 4.320 -0.001 0.000 0.280 996 K C -0.946 175.654 176.600 -0.001 0.000 1.020 996 K CA -0.248 56.041 56.287 0.002 0.000 1.008 996 K CB 0.346 32.838 32.500 -0.013 0.000 0.917 996 K HN 0.390 nan 8.250 nan 0.000 0.478 997 L N 4.897 126.116 121.223 -0.008 0.000 2.265 997 L HA 0.267 4.606 4.340 -0.001 0.000 0.289 997 L C -1.147 175.682 176.870 -0.069 0.000 1.033 997 L CA -0.120 54.706 54.840 -0.022 0.000 0.814 997 L CB 1.183 43.240 42.059 -0.004 0.000 1.203 997 L HN 0.607 nan 8.230 nan 0.000 0.423 998 D N 3.519 123.870 120.400 -0.081 0.000 2.473 998 D HA 0.164 4.803 4.640 -0.001 0.000 0.226 998 D C 1.167 177.363 176.300 -0.173 0.000 1.089 998 D CA -0.248 53.680 54.000 -0.121 0.000 0.883 998 D CB 1.139 41.909 40.800 -0.050 0.000 1.029 998 D HN 0.381 nan 8.370 nan 0.000 0.517 999 V N 1.637 121.351 119.914 -0.333 0.000 2.469 999 V HA -0.254 3.866 4.120 -0.001 0.000 0.251 999 V C 2.206 177.980 176.094 -0.533 0.000 1.064 999 V CA 1.306 63.232 62.300 -0.624 0.000 1.066 999 V CB -1.191 29.997 31.823 -1.059 0.000 0.667 999 V HN 0.635 nan 8.190 nan 0.000 0.461 1000 c N 0.574 119.000 118.600 -0.290 0.000 2.419 1000 c HA -0.082 4.487 4.570 -0.001 0.000 0.283 1000 c C 2.229 176.213 174.090 -0.177 0.000 1.373 1000 c CA 1.581 57.812 56.329 -0.164 0.000 1.781 1000 c CB -1.786 40.619 42.510 -0.175 0.000 1.886 1000 c HN 0.781 nan 8.230 nan 0.000 0.520 1001 H N -0.896 118.148 119.070 -0.045 0.000 2.520 1001 H HA 0.255 4.810 4.556 -0.001 0.000 0.284 1001 H C 1.721 177.075 175.328 0.044 0.000 1.037 1001 H CA -0.036 56.025 56.048 0.021 0.000 1.168 1001 H CB 0.007 29.767 29.762 -0.003 0.000 1.497 1001 H HN 0.356 nan 8.280 nan 0.000 0.547 1002 L N -0.145 121.127 121.223 0.080 0.000 2.083 1002 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 1002 L C 0.281 177.283 176.870 0.221 0.000 1.083 1002 L CA 1.030 55.946 54.840 0.128 0.000 0.752 1002 L CB -0.030 42.065 42.059 0.060 0.000 0.899 1002 L HN 0.207 nan 8.230 nan 0.000 0.433 1003 L N -0.288 121.025 121.223 0.151 0.000 2.334 1003 L HA 0.390 4.729 4.340 -0.001 0.000 0.272 1003 L C -2.058 174.859 176.870 0.078 0.000 1.020 1003 L CA -1.989 52.872 54.840 0.035 0.000 0.812 1003 L CB 1.306 43.154 42.059 -0.352 0.000 1.264 1003 L HN -0.184 nan 8.230 nan 0.000 0.439 1004 P HA 0.141 nan 4.420 nan 0.000 0.277 1004 P C -0.870 176.540 177.300 0.184 0.000 1.271 1004 P CA -0.333 62.836 63.100 0.116 0.000 0.795 1004 P CB 0.436 32.183 31.700 0.078 0.000 1.101 1005 N N -3.070 115.720 118.700 0.151 0.000 2.740 1005 N HA -0.155 4.585 4.740 -0.001 0.000 0.248 1005 N C 0.096 175.695 175.510 0.147 0.000 1.062 1005 N CA 0.106 53.237 53.050 0.135 0.000 0.704 1005 N CB -1.818 36.736 38.487 0.111 0.000 0.968 1005 N HN 0.249 nan 8.380 nan 0.000 0.547 1006 V N -0.115 119.847 119.914 0.080 0.000 2.655 1006 V HA 0.409 4.528 4.120 -0.001 0.000 0.300 1006 V C 1.135 177.136 176.094 -0.156 0.000 1.044 1006 V CA 1.092 63.271 62.300 -0.202 0.000 1.095 1006 V CB 1.335 32.943 31.823 -0.357 0.000 0.952 1006 V HN 0.408 nan 8.190 nan 0.000 0.485 1007 A N 6.806 129.510 122.820 -0.194 0.000 2.211 1007 A HA 0.495 4.814 4.320 -0.001 0.000 0.208 1007 A C 0.950 178.496 177.584 -0.063 0.000 1.250 1007 A CA -0.030 51.953 52.037 -0.091 0.000 0.935 1007 A CB 0.285 19.244 19.000 -0.069 0.000 0.982 1007 A HN 0.756 nan 8.150 nan 0.000 0.490 1008 R N -1.705 118.729 120.500 -0.110 0.000 2.663 1008 R HA 0.500 4.839 4.340 -0.001 0.000 0.267 1008 R C -2.285 173.982 176.300 -0.054 0.000 1.038 1008 R CA -0.340 55.754 56.100 -0.010 0.000 0.886 1008 R CB 1.716 32.022 30.300 0.010 0.000 1.249 1008 R HN 0.297 nan 8.270 nan 0.000 0.463 1009 c N 2.570 121.192 118.600 0.036 0.000 2.397 1009 c HA 0.579 5.148 4.570 -0.001 0.000 0.325 1009 c C -1.169 173.014 174.090 0.155 0.000 1.201 1009 c CA -0.245 56.111 56.329 0.045 0.000 1.377 1009 c CB 1.078 43.576 42.510 -0.021 0.000 2.038 1009 c HN 0.885 nan 8.230 nan 0.000 0.457 1010 E N 3.239 123.550 120.200 0.185 0.000 2.222 1010 E HA 0.424 4.773 4.350 -0.001 0.000 0.267 1010 E C -0.821 175.947 176.600 0.279 0.000 0.884 1010 E CA -0.588 55.938 56.400 0.210 0.000 0.764 1010 E CB 1.853 31.635 29.700 0.136 0.000 1.169 1010 E HN 0.629 nan 8.360 nan 0.000 0.413 1011 R N 1.594 122.243 120.500 0.248 0.000 2.390 1011 R HA 0.269 4.609 4.340 -0.001 0.000 0.291 1011 R C -0.404 175.921 176.300 0.042 0.000 1.070 1011 R CA 0.138 56.296 56.100 0.097 0.000 1.014 1011 R CB 0.625 30.954 30.300 0.047 0.000 1.007 1011 R HN 0.680 nan 8.270 nan 0.000 0.466 1012 T N -0.242 114.312 114.554 0.000 0.000 2.907 1012 T HA 0.344 4.694 4.350 -0.001 0.000 0.290 1012 T C 0.084 174.773 174.700 -0.018 0.000 1.066 1012 T CA -0.783 61.343 62.100 0.043 0.000 1.012 1012 T CB 1.427 70.395 68.868 0.167 0.000 1.184 1012 T HN 0.624 nan 8.240 nan 0.000 0.522 1013 T N 0.353 114.900 114.554 -0.010 0.000 2.791 1013 T HA 0.179 4.528 4.350 -0.001 0.000 0.323 1013 T C 1.610 176.244 174.700 -0.109 0.000 1.082 1013 T CA -0.642 61.431 62.100 -0.045 0.000 1.084 1013 T CB -0.088 68.768 68.868 -0.019 0.000 0.992 1013 T HN 0.576 nan 8.240 nan 0.000 0.547 1014 L N 1.178 122.319 121.223 -0.137 0.000 2.456 1014 L HA -0.026 4.314 4.340 -0.001 0.000 0.224 1014 L C 2.740 179.328 176.870 -0.470 0.000 1.148 1014 L CA 1.294 55.983 54.840 -0.251 0.000 0.825 1014 L CB -1.072 40.922 42.059 -0.107 0.000 0.937 1014 L HN 0.978 nan 8.230 nan 0.000 0.450 1015 T N -5.223 109.156 114.554 -0.292 0.000 3.107 1015 T HA 0.050 4.399 4.350 -0.001 0.000 0.249 1015 T C 0.706 175.295 174.700 -0.185 0.000 1.096 1015 T CA -0.281 61.674 62.100 -0.242 0.000 1.012 1015 T CB -0.068 68.784 68.868 -0.026 0.000 0.977 1015 T HN 0.176 nan 8.240 nan 0.000 0.527 1016 F N -0.610 119.354 119.950 0.024 0.000 2.840 1016 F HA -0.186 4.341 4.527 -0.001 0.000 0.310 1016 F C 0.990 176.790 175.800 0.000 0.000 0.688 1016 F CA -0.170 57.836 58.000 0.009 0.000 1.286 1016 F CB -2.361 36.641 39.000 0.003 0.000 1.612 1016 F HN 0.245 nan 8.300 nan 0.000 0.335 1017 L N -0.969 120.329 121.223 0.124 0.000 2.477 1017 L HA 0.100 4.439 4.340 -0.001 0.000 0.220 1017 L C 1.092 177.984 176.870 0.037 0.000 1.106 1017 L CA 0.876 55.759 54.840 0.071 0.000 0.851 1017 L CB 0.156 42.240 42.059 0.042 0.000 0.994 1017 L HN 0.353 nan 8.230 nan 0.000 0.462 1018 Q N 0.432 120.253 119.800 0.036 0.000 2.347 1018 Q HA 0.289 4.628 4.340 -0.001 0.000 0.271 1018 Q C -1.185 174.831 176.000 0.028 0.000 1.064 1018 Q CA -0.742 55.069 55.803 0.015 0.000 0.800 1018 Q CB 1.959 30.692 28.738 -0.008 0.000 1.304 1018 Q HN 0.090 nan 8.270 nan 0.000 0.438 1019 N N 4.312 123.025 118.700 0.021 0.000 2.488 1019 N HA 0.205 4.945 4.740 -0.001 0.000 0.274 1019 N C 0.192 175.716 175.510 0.023 0.000 1.111 1019 N CA 0.161 53.229 53.050 0.031 0.000 0.974 1019 N CB 1.210 39.710 38.487 0.021 0.000 1.089 1019 N HN 0.648 nan 8.380 nan 0.000 0.465 1020 L N 0.347 121.589 121.223 0.032 0.000 2.577 1020 L HA 0.299 4.638 4.340 -0.001 0.000 0.225 1020 L C 0.550 177.446 176.870 0.043 0.000 1.053 1020 L CA 0.394 55.247 54.840 0.022 0.000 0.866 1020 L CB 0.387 42.449 42.059 0.004 0.000 1.132 1020 L HN 0.525 nan 8.230 nan 0.000 0.486 1021 E N -0.347 119.897 120.200 0.075 0.000 2.321 1021 E HA 0.134 4.484 4.350 -0.001 0.000 0.281 1021 E C -1.307 175.393 176.600 0.167 0.000 0.910 1021 E CA -0.521 55.942 56.400 0.105 0.000 0.770 1021 E CB 1.500 31.256 29.700 0.093 0.000 1.225 1021 E HN 0.106 nan 8.360 nan 0.000 0.417 1022 H N 5.800 124.894 119.070 0.041 0.000 2.668 1022 H HA 0.324 4.879 4.556 -0.001 0.000 0.303 1022 H C -0.807 174.545 175.328 0.040 0.000 1.074 1022 H CA -0.539 55.530 56.048 0.036 0.000 1.406 1022 H CB 0.692 30.466 29.762 0.020 0.000 1.442 1022 H HN 0.371 nan 8.280 nan 0.000 0.482 1023 L N 5.460 126.666 121.223 -0.028 0.000 2.275 1023 L HA 0.122 4.461 4.340 -0.001 0.000 0.288 1023 L C 0.100 176.870 176.870 -0.167 0.000 1.046 1023 L CA -0.855 53.949 54.840 -0.060 0.000 0.805 1023 L CB 1.277 43.357 42.059 0.035 0.000 1.193 1023 L HN 0.673 nan 8.230 nan 0.000 0.426 1024 D N 2.854 123.178 120.400 -0.128 0.000 2.458 1024 D HA 0.134 4.773 4.640 -0.001 0.000 0.243 1024 D C 1.135 177.394 176.300 -0.068 0.000 1.146 1024 D CA 1.218 55.147 54.000 -0.117 0.000 0.877 1024 D CB 1.291 42.047 40.800 -0.075 0.000 1.176 1024 D HN 0.849 nan 8.370 nan 0.000 0.461 1025 G N 3.053 111.819 108.800 -0.057 0.000 2.155 1025 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.257 1025 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.257 1025 G C 0.766 175.700 174.900 0.057 0.000 0.983 1025 G CA 0.373 45.472 45.100 -0.003 0.000 0.676 1025 G HN 0.643 nan 8.290 nan 0.000 0.528 1026 M N -2.575 117.026 119.600 0.002 0.000 2.393 1026 M HA -0.191 4.288 4.480 -0.001 0.000 0.201 1026 M C 0.068 176.398 176.300 0.050 0.000 0.403 1026 M CA 0.896 56.191 55.300 -0.007 0.000 0.471 1026 M CB -1.919 30.640 32.600 -0.068 0.000 1.669 1026 M HN 0.234 nan 8.290 nan 0.000 0.864 1027 V N 0.813 120.745 119.914 0.030 0.000 2.370 1027 V HA 0.716 4.835 4.120 -0.001 0.000 0.283 1027 V C 0.670 176.690 176.094 -0.123 0.000 1.023 1027 V CA -0.401 61.902 62.300 0.004 0.000 0.857 1027 V CB 1.765 33.583 31.823 -0.008 0.000 0.985 1027 V HN 0.422 nan 8.190 nan 0.000 0.443 1028 A N 7.916 130.571 122.820 -0.275 0.000 2.310 1028 A HA 0.695 5.014 4.320 -0.001 0.000 0.300 1028 A C -2.380 174.926 177.584 -0.463 0.000 1.269 1028 A CA -1.298 50.331 52.037 -0.679 0.000 0.909 1028 A CB -0.080 18.197 19.000 -1.205 0.000 1.144 1028 A HN 0.639 nan 8.150 nan 0.000 0.540 1029 P HA 0.161 nan 4.420 nan 0.000 0.272 1029 P C 0.020 177.301 177.300 -0.030 0.000 1.223 1029 P CA -0.149 62.905 63.100 -0.076 0.000 0.784 1029 P CB 0.575 32.298 31.700 0.038 0.000 0.923 1030 E N -0.223 119.978 120.200 0.001 0.000 2.391 1030 E HA 0.243 4.593 4.350 -0.001 0.000 0.255 1030 E C 0.048 176.704 176.600 0.093 0.000 1.187 1030 E CA -0.723 55.708 56.400 0.052 0.000 0.941 1030 E CB 0.378 30.089 29.700 0.019 0.000 1.010 1030 E HN 0.273 nan 8.360 nan 0.000 0.458 1031 V N -1.825 118.143 119.914 0.090 0.000 3.096 1031 V HA 0.412 4.532 4.120 -0.001 0.000 0.319 1031 V C 0.045 176.143 176.094 0.006 0.000 1.082 1031 V CA -1.097 61.243 62.300 0.067 0.000 1.022 1031 V CB 1.339 33.206 31.823 0.073 0.000 1.103 1031 V HN 0.733 nan 8.190 nan 0.000 0.455 1032 c N 1.940 120.537 118.600 -0.005 0.000 2.500 1032 c HA 0.499 5.069 4.570 -0.001 0.000 0.367 1032 c C -2.162 171.874 174.090 -0.090 0.000 1.283 1032 c CA -0.470 55.839 56.329 -0.035 0.000 2.456 1032 c CB 0.266 42.772 42.510 -0.008 0.000 2.457 1032 c HN 0.808 nan 8.230 nan 0.000 0.632 1033 P HA 0.045 nan 4.420 nan 0.000 0.264 1033 P C 0.265 177.416 177.300 -0.248 0.000 1.183 1033 P CA 0.984 63.952 63.100 -0.220 0.000 0.763 1033 P CB 0.179 31.729 31.700 -0.250 0.000 0.807 1034 M N -1.116 118.292 119.600 -0.320 0.000 2.939 1034 M HA -0.173 4.306 4.480 -0.001 0.000 0.194 1034 M C -0.127 176.177 176.300 0.006 0.000 0.617 1034 M CA 1.345 56.449 55.300 -0.327 0.000 0.734 1034 M CB -2.005 30.114 32.600 -0.802 0.000 2.637 1034 M HN 0.411 nan 8.290 nan 0.000 0.316 1035 E N 0.384 120.575 120.200 -0.015 0.000 2.227 1035 E HA 0.712 5.061 4.350 -0.001 0.000 0.268 1035 E C 0.021 176.684 176.600 0.104 0.000 0.990 1035 E CA -0.082 56.385 56.400 0.111 0.000 0.856 1035 E CB 1.446 31.180 29.700 0.055 0.000 1.159 1035 E HN 0.137 nan 8.360 nan 0.000 0.401 1036 T N 0.594 115.229 114.554 0.134 0.000 2.881 1036 T HA 0.666 5.016 4.350 -0.001 0.000 0.290 1036 T C -0.832 173.884 174.700 0.026 0.000 1.000 1036 T CA -0.639 61.552 62.100 0.151 0.000 0.978 1036 T CB 1.585 70.555 68.868 0.170 0.000 0.997 1036 T HN 0.505 nan 8.240 nan 0.000 0.443 1037 A N 1.978 124.815 122.820 0.028 0.000 2.423 1037 A HA 1.003 5.322 4.320 -0.001 0.000 0.304 1037 A C -0.819 176.674 177.584 -0.151 0.000 1.104 1037 A CA -0.922 51.034 52.037 -0.134 0.000 0.757 1037 A CB 1.459 20.327 19.000 -0.220 0.000 1.313 1037 A HN 1.093 nan 8.150 nan 0.000 0.423 1038 A N 0.217 122.863 122.820 -0.290 0.000 2.365 1038 A HA 0.823 5.142 4.320 -0.001 0.000 0.318 1038 A C -1.525 175.889 177.584 -0.284 0.000 1.091 1038 A CA -0.352 51.628 52.037 -0.094 0.000 0.763 1038 A CB 0.743 19.732 19.000 -0.019 0.000 1.248 1038 A HN 0.819 nan 8.150 nan 0.000 0.442 1039 Y N -0.114 120.398 120.300 0.354 0.000 2.545 1039 Y HA 0.597 5.146 4.550 -0.001 0.000 0.348 1039 Y C -0.251 175.808 175.900 0.266 0.000 1.002 1039 Y CA -0.917 57.340 58.100 0.262 0.000 1.039 1039 Y CB 2.495 41.068 38.460 0.189 0.000 1.271 1039 Y HN 0.411 nan 8.280 nan 0.000 0.467 1040 V N 2.146 122.248 119.914 0.313 0.000 2.483 1040 V HA 0.473 4.592 4.120 -0.001 0.000 0.297 1040 V C -0.704 175.464 176.094 0.122 0.000 1.027 1040 V CA -0.926 61.451 62.300 0.129 0.000 0.855 1040 V CB 1.719 33.555 31.823 0.022 0.000 0.995 1040 V HN 0.826 nan 8.190 nan 0.000 0.424 1041 S N 3.513 119.292 115.700 0.132 0.000 2.541 1041 S HA 0.725 5.194 4.470 -0.001 0.000 0.283 1041 S C -0.226 174.286 174.600 -0.147 0.000 1.196 1041 S CA -0.577 57.622 58.200 -0.000 0.000 1.062 1041 S CB 1.656 64.928 63.200 0.120 0.000 1.009 1041 S HN 0.549 nan 8.310 nan 0.000 0.502 1042 S N 2.316 117.801 115.700 -0.359 0.000 2.472 1042 S HA 0.528 4.998 4.470 -0.001 0.000 0.303 1042 S C -0.968 173.297 174.600 -0.558 0.000 1.099 1042 S CA -0.748 57.284 58.200 -0.280 0.000 1.077 1042 S CB 0.499 63.615 63.200 -0.140 0.000 1.031 1042 S HN 0.787 nan 8.310 nan 0.000 0.487 1043 H N 0.931 119.988 119.070 -0.022 0.000 2.782 1043 H HA 0.303 4.859 4.556 -0.001 0.000 0.347 1043 H C -0.597 174.724 175.328 -0.011 0.000 1.038 1043 H CA -0.679 55.359 56.048 -0.016 0.000 1.255 1043 H CB 1.610 31.364 29.762 -0.013 0.000 1.623 1043 H HN 0.638 nan 8.280 nan 0.000 0.525 1044 S N 2.280 118.027 115.700 0.078 0.000 2.531 1044 S HA 0.346 4.815 4.470 -0.001 0.000 0.279 1044 S C 0.672 175.309 174.600 0.062 0.000 1.305 1044 S CA -0.584 57.647 58.200 0.051 0.000 1.058 1044 S CB 1.043 64.261 63.200 0.031 0.000 0.899 1044 S HN 0.722 nan 8.310 nan 0.000 0.493 1045 S N 0.000 115.726 115.700 0.044 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.221 58.200 0.035 0.000 1.107 1045 S CB 0.000 63.220 63.200 0.033 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517