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 3d52_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 0.000 176.008 176.000 0.013 0.000 1.003 30 Q CA 0.000 55.807 55.803 0.008 0.000 1.022 30 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 31 c N 3.061 121.665 118.600 0.007 0.000 2.652 31 c HA 0.561 5.130 4.570 -0.001 0.000 0.412 31 c C 0.744 174.847 174.090 0.021 0.000 1.294 31 c CA -0.369 55.967 56.329 0.011 0.000 2.127 31 c CB 0.540 43.043 42.510 -0.010 0.000 2.691 31 c HN 0.725 nan 8.230 nan 0.000 0.615 32 Q N 1.642 121.471 119.800 0.048 0.000 2.364 32 Q HA 0.066 4.406 4.340 -0.001 0.000 0.267 32 Q C -0.052 175.979 176.000 0.051 0.000 0.999 32 Q CA 0.315 56.162 55.803 0.073 0.000 0.886 32 Q CB 0.563 29.383 28.738 0.137 0.000 1.243 32 Q HN 0.635 nan 8.270 nan 0.000 0.415 33 D N 1.908 122.337 120.400 0.049 0.000 2.325 33 D HA 0.042 4.681 4.640 -0.001 0.000 0.251 33 D C 0.531 176.874 176.300 0.072 0.000 1.196 33 D CA -0.149 53.859 54.000 0.014 0.000 0.866 33 D CB 1.265 42.073 40.800 0.015 0.000 1.101 33 D HN 0.391 nan 8.370 nan 0.000 0.476 34 V N 2.264 122.173 119.914 -0.008 0.000 3.649 34 V HA 0.080 4.199 4.120 -0.001 0.000 0.275 34 V C 1.110 177.246 176.094 0.070 0.000 1.281 34 V CA 0.136 62.490 62.300 0.089 0.000 1.143 34 V CB 0.245 31.950 31.823 -0.196 0.000 0.892 34 V HN 0.390 nan 8.190 nan 0.000 0.441 35 V N -0.000 119.862 119.914 -0.087 0.000 2.908 35 V HA 0.122 4.241 4.120 -0.001 0.000 0.240 35 V C 2.251 178.277 176.094 -0.114 0.000 1.117 35 V CA 1.272 63.460 62.300 -0.187 0.000 1.133 35 V CB 0.089 31.765 31.823 -0.246 0.000 0.857 35 V HN 0.495 nan 8.190 nan 0.000 0.478 36 Q N -0.432 119.376 119.800 0.014 0.000 2.281 36 Q HA 0.154 4.493 4.340 -0.001 0.000 0.215 36 Q C -0.542 175.532 176.000 0.123 0.000 0.867 36 Q CA 0.165 55.997 55.803 0.048 0.000 0.940 36 Q CB 0.783 29.528 28.738 0.012 0.000 1.111 36 Q HN 0.531 nan 8.270 nan 0.000 0.513 37 D N 1.106 121.617 120.400 0.185 0.000 2.344 37 D HA 0.185 4.824 4.640 -0.001 0.000 0.239 37 D C -0.652 175.789 176.300 0.234 0.000 1.064 37 D CA -0.310 53.793 54.000 0.170 0.000 0.829 37 D CB 2.570 43.445 40.800 0.125 0.000 1.129 37 D HN -0.178 nan 8.370 nan 0.000 0.506 38 V N 4.342 124.355 119.914 0.165 0.000 2.427 38 V HA 0.149 4.269 4.120 -0.001 0.000 0.268 38 V C -1.863 174.226 176.094 -0.007 0.000 1.046 38 V CA -1.178 61.149 62.300 0.045 0.000 0.970 38 V CB 0.543 32.389 31.823 0.038 0.000 1.001 38 V HN 0.323 nan 8.190 nan 0.000 0.476 39 P HA 0.098 nan 4.420 nan 0.000 0.269 39 P C -0.436 176.843 177.300 -0.036 0.000 1.209 39 P CA -0.130 62.949 63.100 -0.035 0.000 0.776 39 P CB 0.372 32.034 31.700 -0.064 0.000 0.876 40 N N 2.120 120.812 118.700 -0.014 0.000 2.426 40 N HA 0.367 5.106 4.740 -0.001 0.000 0.257 40 N C -1.151 174.352 175.510 -0.011 0.000 1.002 40 N CA -0.356 52.687 53.050 -0.011 0.000 0.942 40 N CB 0.290 38.778 38.487 0.002 0.000 1.112 40 N HN 0.133 nan 8.380 nan 0.000 0.499 41 V N 0.316 120.217 119.914 -0.022 0.000 3.040 41 V HA 0.556 4.675 4.120 -0.001 0.000 0.312 41 V C 0.566 176.647 176.094 -0.022 0.000 1.115 41 V CA -0.722 61.567 62.300 -0.017 0.000 0.998 41 V CB 2.105 33.908 31.823 -0.035 0.000 1.042 41 V HN 0.366 nan 8.190 nan 0.000 0.433 42 D N 0.827 121.221 120.400 -0.011 0.000 2.149 42 D HA 0.039 4.678 4.640 -0.001 0.000 0.201 42 D C 0.499 176.770 176.300 -0.048 0.000 0.972 42 D CA 1.653 55.644 54.000 -0.015 0.000 0.835 42 D CB 0.467 41.275 40.800 0.013 0.000 0.966 42 D HN 0.425 nan 8.370 nan 0.000 0.476 43 V N 1.552 121.415 119.914 -0.085 0.000 2.482 43 V HA 0.204 4.323 4.120 -0.001 0.000 0.295 43 V C -0.362 175.637 176.094 -0.158 0.000 1.026 43 V CA -0.759 61.461 62.300 -0.133 0.000 0.856 43 V CB 2.370 34.070 31.823 -0.205 0.000 1.001 43 V HN -0.081 nan 8.190 nan 0.000 0.424 44 Q N 4.647 124.368 119.800 -0.131 0.000 2.341 44 Q HA 0.433 4.772 4.340 -0.001 0.000 0.268 44 Q C 0.450 176.361 176.000 -0.149 0.000 1.013 44 Q CA -0.663 55.056 55.803 -0.140 0.000 0.798 44 Q CB 1.846 30.522 28.738 -0.104 0.000 1.253 44 Q HN 0.680 nan 8.270 nan 0.000 0.457 45 M N 3.065 122.532 119.600 -0.222 0.000 2.213 45 M HA -0.159 4.320 4.480 -0.001 0.000 0.263 45 M C 1.573 177.793 176.300 -0.134 0.000 1.062 45 M CA 0.932 56.096 55.300 -0.227 0.000 1.105 45 M CB -0.703 31.633 32.600 -0.440 0.000 1.385 45 M HN 0.552 nan 8.290 nan 0.000 0.417 46 L N 0.736 121.863 121.223 -0.160 0.000 2.056 46 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 46 L C 2.156 179.018 176.870 -0.013 0.000 1.078 46 L CA 1.847 56.616 54.840 -0.119 0.000 0.749 46 L CB -0.513 41.449 42.059 -0.161 0.000 0.901 46 L HN 0.306 nan 8.230 nan 0.000 0.433 47 E N -0.875 119.305 120.200 -0.033 0.000 2.106 47 E HA -0.236 4.114 4.350 -0.001 0.000 0.192 47 E C 2.087 178.701 176.600 0.024 0.000 0.984 47 E CA 1.254 57.649 56.400 -0.009 0.000 0.806 47 E CB -0.276 29.405 29.700 -0.032 0.000 0.750 47 E HN 0.395 nan 8.360 nan 0.000 0.458 48 L N 0.124 121.365 121.223 0.029 0.000 2.056 48 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 48 L C 2.030 178.968 176.870 0.113 0.000 1.078 48 L CA 1.665 56.527 54.840 0.037 0.000 0.749 48 L CB -0.558 41.511 42.059 0.017 0.000 0.901 48 L HN 0.043 nan 8.230 nan 0.000 0.433 49 Y N 0.207 120.518 120.300 0.018 0.000 2.207 49 Y HA -0.281 4.268 4.550 -0.001 0.000 0.287 49 Y C 2.532 178.524 175.900 0.152 0.000 1.156 49 Y CA 1.967 60.161 58.100 0.156 0.000 1.182 49 Y CB -0.603 37.937 38.460 0.133 0.000 0.979 49 Y HN 0.387 nan 8.280 nan 0.000 0.521 50 D N -0.705 119.807 120.400 0.187 0.000 2.144 50 D HA -0.112 4.527 4.640 -0.001 0.000 0.200 50 D C 1.992 178.333 176.300 0.068 0.000 0.978 50 D CA 1.277 55.341 54.000 0.106 0.000 0.833 50 D CB 0.067 40.901 40.800 0.058 0.000 0.961 50 D HN 0.259 nan 8.370 nan 0.000 0.470 51 R N -0.966 119.555 120.500 0.035 0.000 2.140 51 R HA 0.191 4.530 4.340 -0.001 0.000 0.213 51 R C 0.910 177.183 176.300 -0.044 0.000 1.059 51 R CA -0.013 56.082 56.100 -0.007 0.000 1.000 51 R CB 0.020 30.303 30.300 -0.028 0.000 0.910 51 R HN 0.218 nan 8.270 nan 0.000 0.455 52 M N 1.077 120.621 119.600 -0.094 0.000 2.248 52 M HA 0.004 4.483 4.480 -0.001 0.000 0.337 52 M C 0.370 176.522 176.300 -0.247 0.000 1.121 52 M CA 0.330 55.470 55.300 -0.266 0.000 1.155 52 M CB 1.189 33.438 32.600 -0.585 0.000 1.514 52 M HN -0.047 nan 8.290 nan 0.000 0.452 53 S N 1.165 116.698 115.700 -0.279 0.000 2.562 53 S HA 0.365 4.834 4.470 -0.001 0.000 0.275 53 S C -0.172 174.187 174.600 -0.402 0.000 1.281 53 S CA -0.506 57.582 58.200 -0.186 0.000 1.045 53 S CB 0.309 63.448 63.200 -0.103 0.000 0.962 53 S HN 0.523 nan 8.310 nan 0.000 0.503 54 F N 2.362 122.251 119.950 -0.102 0.000 2.647 54 F HA 0.389 4.915 4.527 -0.001 0.000 0.300 54 F C 0.828 176.646 175.800 0.030 0.000 1.106 54 F CA -0.550 57.397 58.000 -0.088 0.000 1.313 54 F CB 0.392 39.322 39.000 -0.117 0.000 1.007 54 F HN 0.253 nan 8.300 nan 0.000 0.536 55 K N 1.100 121.576 120.400 0.126 0.000 2.401 55 K HA -0.005 4.315 4.320 -0.001 0.000 0.278 55 K C -0.207 176.494 176.600 0.168 0.000 1.018 55 K CA 0.055 56.422 56.287 0.133 0.000 0.981 55 K CB 0.528 33.069 32.500 0.069 0.000 0.933 55 K HN -0.010 nan 8.250 nan 0.000 0.477 56 D N 3.598 124.114 120.400 0.194 0.000 2.522 56 D HA 0.151 4.790 4.640 -0.001 0.000 0.218 56 D C -0.278 176.067 176.300 0.076 0.000 1.149 56 D CA -0.485 53.635 54.000 0.200 0.000 0.981 56 D CB -0.580 40.344 40.800 0.206 0.000 1.041 56 D HN 0.439 nan 8.370 nan 0.000 0.518 57 I N -0.906 119.697 120.570 0.055 0.000 2.437 57 I HA 0.467 4.636 4.170 -0.001 0.000 0.298 57 I C 0.072 176.180 176.117 -0.015 0.000 0.984 57 I CA -0.993 60.316 61.300 0.015 0.000 1.214 57 I CB 1.495 39.502 38.000 0.012 0.000 1.365 57 I HN -0.098 nan 8.210 nan 0.000 0.469 58 D N 4.637 125.026 120.400 -0.018 0.000 2.346 58 D HA 0.155 4.794 4.640 -0.001 0.000 0.260 58 D C 0.986 177.272 176.300 -0.022 0.000 1.252 58 D CA 0.145 54.129 54.000 -0.028 0.000 0.895 58 D CB 1.530 42.321 40.800 -0.016 0.000 1.097 58 D HN 0.856 nan 8.370 nan 0.000 0.489 59 G N 2.392 111.162 108.800 -0.050 0.000 3.141 59 G HA2 0.433 4.393 3.960 -0.001 0.000 0.218 59 G HA3 0.433 4.393 3.960 -0.001 0.000 0.218 59 G C 0.892 175.795 174.900 0.005 0.000 1.170 59 G CA 0.384 45.459 45.100 -0.041 0.000 0.769 59 G HN 0.904 nan 8.290 nan 0.000 0.546 60 G N -0.494 108.314 108.800 0.013 0.000 2.475 60 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.223 60 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.223 60 G C 1.248 176.174 174.900 0.042 0.000 1.201 60 G CA 0.778 45.898 45.100 0.033 0.000 0.962 60 G HN 1.110 nan 8.290 nan 0.000 0.586 61 V N -3.505 116.434 119.914 0.042 0.000 2.343 61 V HA 0.082 4.202 4.120 -0.001 0.000 0.247 61 V C 1.529 177.659 176.094 0.060 0.000 1.051 61 V CA 2.429 64.739 62.300 0.016 0.000 1.036 61 V CB -0.626 31.172 31.823 -0.041 0.000 0.654 61 V HN 1.452 nan 8.190 nan 0.000 0.451 62 W N 2.773 123.983 121.300 -0.150 0.000 2.430 62 W HA 0.410 5.069 4.660 -0.002 0.000 0.380 62 W C 1.200 177.684 176.519 -0.058 0.000 1.045 62 W CA -1.681 55.569 57.345 -0.158 0.000 1.547 62 W CB 0.058 29.389 29.460 -0.214 0.000 1.554 62 W HN 0.066 nan 8.180 nan 0.000 0.378 63 K N 2.715 123.209 120.400 0.156 0.000 2.103 63 K HA -0.202 4.118 4.320 -0.001 0.000 0.207 63 K C 0.989 177.505 176.600 -0.140 0.000 1.048 63 K CA 1.608 57.888 56.287 -0.011 0.000 0.930 63 K CB 0.043 32.531 32.500 -0.020 0.000 0.716 63 K HN 0.572 nan 8.250 nan 0.000 0.444 64 Q N -0.597 119.079 119.800 -0.207 0.000 2.220 64 Q HA 0.147 4.486 4.340 -0.001 0.000 0.205 64 Q C 0.887 176.527 176.000 -0.601 0.000 0.865 64 Q CA -0.243 55.417 55.803 -0.238 0.000 0.960 64 Q CB 1.121 29.861 28.738 0.004 0.000 1.097 64 Q HN 0.249 nan 8.270 nan 0.000 0.493 65 G N 0.586 108.609 108.800 -1.295 0.000 3.392 65 G HA2 0.514 4.474 3.960 -0.001 0.000 0.185 65 G HA3 0.514 4.474 3.960 -0.001 0.000 0.185 65 G C -1.401 173.182 174.900 -0.527 0.000 1.206 65 G CA -0.292 43.755 45.100 -1.756 0.000 0.776 65 G HN 0.366 nan 8.290 nan 0.000 0.697 66 W N -1.343 119.651 121.300 -0.510 0.000 2.959 66 W HA 0.626 5.286 4.660 -0.001 0.000 0.358 66 W C -1.504 175.103 176.519 0.146 0.000 1.228 66 W CA -1.138 56.147 57.345 -0.099 0.000 1.183 66 W CB 0.654 30.069 29.460 -0.075 0.000 1.467 66 W HN 0.198 nan 8.180 nan 0.000 0.578 67 N N 2.128 120.979 118.700 0.253 0.000 2.402 67 N HA 0.238 4.977 4.740 -0.001 0.000 0.252 67 N C -0.387 175.253 175.510 0.218 0.000 1.118 67 N CA -0.025 53.124 53.050 0.166 0.000 0.945 67 N CB 0.547 39.135 38.487 0.167 0.000 1.147 67 N HN 0.402 nan 8.380 nan 0.000 0.495 68 I N 2.255 122.859 120.570 0.057 0.000 2.556 68 I HA 0.000 4.170 4.170 -0.001 0.000 0.284 68 I C 0.757 177.033 176.117 0.266 0.000 1.114 68 I CA 0.272 61.678 61.300 0.177 0.000 1.418 68 I CB 0.447 38.504 38.000 0.095 0.000 1.394 68 I HN 0.113 nan 8.210 nan 0.000 0.552 69 K N 6.629 127.223 120.400 0.324 0.000 2.207 69 K HA 0.572 4.891 4.320 -0.001 0.000 0.255 69 K C -1.257 175.514 176.600 0.285 0.000 0.941 69 K CA -0.678 55.735 56.287 0.209 0.000 0.825 69 K CB 1.994 34.586 32.500 0.154 0.000 1.119 69 K HN 0.480 nan 8.250 nan 0.000 0.430 70 Y N -1.876 118.518 120.300 0.156 0.000 2.553 70 Y HA 0.391 4.940 4.550 -0.001 0.000 0.347 70 Y C -1.009 174.966 175.900 0.126 0.000 1.019 70 Y CA -1.577 56.616 58.100 0.155 0.000 1.032 70 Y CB 1.214 39.794 38.460 0.201 0.000 1.284 70 Y HN 0.406 nan 8.280 nan 0.000 0.466 71 D N 4.527 125.078 120.400 0.251 0.000 2.336 71 D HA 0.239 4.879 4.640 -0.001 0.000 0.249 71 D C -1.584 174.880 176.300 0.273 0.000 1.213 71 D CA -2.577 51.512 54.000 0.149 0.000 0.870 71 D CB 1.476 42.330 40.800 0.091 0.000 1.076 71 D HN 0.448 nan 8.370 nan 0.000 0.483 72 P HA -0.144 nan 4.420 nan 0.000 0.217 72 P C 1.442 178.903 177.300 0.269 0.000 1.148 72 P CA 0.846 64.155 63.100 0.348 0.000 0.828 72 P CB 0.260 32.086 31.700 0.211 0.000 0.783 73 L N -0.606 120.708 121.223 0.151 0.000 2.610 73 L HA 0.040 4.379 4.340 -0.001 0.000 0.232 73 L C 2.663 179.561 176.870 0.046 0.000 1.149 73 L CA 0.545 55.448 54.840 0.104 0.000 0.872 73 L CB -0.865 41.235 42.059 0.067 0.000 0.992 73 L HN -0.020 nan 8.230 nan 0.000 0.447 74 K N 0.654 121.034 120.400 -0.033 0.000 2.103 74 K HA -0.154 4.166 4.320 -0.001 0.000 0.207 74 K C -0.111 176.304 176.600 -0.308 0.000 1.048 74 K CA 1.175 57.304 56.287 -0.263 0.000 0.930 74 K CB 0.058 32.248 32.500 -0.517 0.000 0.716 74 K HN 0.131 nan 8.250 nan 0.000 0.444 75 Y N 0.723 121.137 120.300 0.190 0.000 2.361 75 Y HA 0.282 4.832 4.550 -0.001 0.000 0.332 75 Y C 0.006 175.987 175.900 0.135 0.000 1.101 75 Y CA -1.080 57.125 58.100 0.175 0.000 1.137 75 Y CB 1.349 39.876 38.460 0.112 0.000 1.207 75 Y HN 0.247 nan 8.280 nan 0.000 0.463 76 N N -0.773 118.086 118.700 0.265 0.000 3.378 76 N HA 0.509 5.248 4.740 -0.001 0.000 0.294 76 N C 0.063 175.619 175.510 0.077 0.000 1.544 76 N CA -0.477 52.665 53.050 0.152 0.000 0.872 76 N CB 0.314 38.881 38.487 0.134 0.000 1.670 76 N HN 0.481 nan 8.380 nan 0.000 0.551 77 A N -1.188 121.603 122.820 -0.048 0.000 1.986 77 A HA -0.197 4.122 4.320 -0.001 0.000 0.220 77 A C 0.950 178.341 177.584 -0.323 0.000 1.171 77 A CA 1.445 53.338 52.037 -0.239 0.000 0.640 77 A CB -1.054 17.704 19.000 -0.404 0.000 0.811 77 A HN 0.694 nan 8.150 nan 0.000 0.451 78 H N -3.244 115.879 119.070 0.089 0.000 2.622 78 H HA 0.136 4.692 4.556 -0.001 0.000 0.269 78 H C -0.311 175.109 175.328 0.153 0.000 0.977 78 H CA 0.516 56.619 56.048 0.092 0.000 1.179 78 H CB 0.195 30.002 29.762 0.076 0.000 1.458 78 H HN 0.692 nan 8.280 nan 0.000 0.531 79 H N 0.985 120.134 119.070 0.133 0.000 2.761 79 H HA 0.307 4.863 4.556 -0.001 0.000 0.263 79 H C -0.701 174.731 175.328 0.173 0.000 1.292 79 H CA -0.489 55.637 56.048 0.130 0.000 1.540 79 H CB 0.298 30.126 29.762 0.110 0.000 1.569 79 H HN -0.039 nan 8.280 nan 0.000 0.510 80 K N 2.485 122.830 120.400 -0.091 0.000 2.098 80 K HA 0.305 4.624 4.320 -0.001 0.000 0.258 80 K C -0.760 175.740 176.600 -0.167 0.000 0.973 80 K CA -1.290 54.955 56.287 -0.070 0.000 0.898 80 K CB 1.869 34.311 32.500 -0.098 0.000 1.057 80 K HN 0.233 nan 8.250 nan 0.000 0.447 81 L N 2.341 123.423 121.223 -0.235 0.000 2.313 81 L HA 0.153 4.492 4.340 -0.001 0.000 0.282 81 L C -0.880 175.803 176.870 -0.312 0.000 1.092 81 L CA 0.321 54.966 54.840 -0.325 0.000 0.831 81 L CB 0.150 41.818 42.059 -0.652 0.000 1.159 81 L HN 0.397 nan 8.230 nan 0.000 0.442 82 K N 4.574 124.798 120.400 -0.292 0.000 2.253 82 K HA 0.525 4.844 4.320 -0.001 0.000 0.277 82 K C -1.172 175.113 176.600 -0.526 0.000 1.053 82 K CA -0.536 55.506 56.287 -0.409 0.000 0.892 82 K CB 1.466 33.778 32.500 -0.314 0.000 1.102 82 K HN 0.415 nan 8.250 nan 0.000 0.469 83 V N 4.599 124.074 119.914 -0.732 0.000 2.417 83 V HA 0.391 4.511 4.120 -0.001 0.000 0.291 83 V C -0.815 174.710 176.094 -0.949 0.000 1.024 83 V CA -0.817 60.994 62.300 -0.815 0.000 0.861 83 V CB 0.685 31.852 31.823 -1.094 0.000 0.985 83 V HN 0.532 nan 8.190 nan 0.000 0.436 84 F N 3.552 123.250 119.950 -0.421 0.000 2.375 84 F HA 0.501 5.028 4.527 -0.001 0.000 0.361 84 F C 0.158 175.769 175.800 -0.314 0.000 1.117 84 F CA -0.717 57.091 58.000 -0.320 0.000 1.037 84 F CB 1.737 40.623 39.000 -0.190 0.000 1.192 84 F HN 0.186 nan 8.300 nan 0.000 0.452 85 V N 5.035 124.895 119.914 -0.089 0.000 2.385 85 V HA 0.305 4.425 4.120 -0.001 0.000 0.269 85 V C -0.188 176.009 176.094 0.170 0.000 1.043 85 V CA -0.612 61.710 62.300 0.036 0.000 0.906 85 V CB 1.239 33.166 31.823 0.172 0.000 0.995 85 V HN 0.430 nan 8.190 nan 0.000 0.467 86 V N 8.366 128.325 119.914 0.075 0.000 2.304 86 V HA 0.319 4.438 4.120 -0.001 0.000 0.278 86 V C -2.368 173.751 176.094 0.041 0.000 1.018 86 V CA -1.926 60.383 62.300 0.014 0.000 0.814 86 V CB 1.505 33.240 31.823 -0.147 0.000 1.021 86 V HN 0.720 nan 8.190 nan 0.000 0.440 87 P HA 0.326 nan 4.420 nan 0.000 0.271 87 P C -0.841 176.435 177.300 -0.042 0.000 1.216 87 P CA 0.283 63.343 63.100 -0.067 0.000 0.771 87 P CB 0.365 31.823 31.700 -0.402 0.000 0.864 88 H N -1.042 118.013 119.070 -0.024 0.000 2.990 88 H HA 0.799 5.355 4.556 -0.001 0.000 0.336 88 H C -1.494 173.945 175.328 0.185 0.000 1.306 88 H CA -1.122 54.816 56.048 -0.184 0.000 1.118 88 H CB 0.964 30.564 29.762 -0.271 0.000 1.856 88 H HN 0.202 nan 8.280 nan 0.000 0.538 89 S N 0.598 116.322 115.700 0.040 0.000 2.750 89 S HA 0.195 4.664 4.470 -0.001 0.000 0.276 89 S C -1.867 172.673 174.600 -0.100 0.000 1.165 89 S CA -0.661 57.602 58.200 0.106 0.000 1.047 89 S CB 0.100 63.547 63.200 0.412 0.000 1.056 89 S HN 0.851 nan 8.310 nan 0.000 0.481 90 H N 4.442 123.420 119.070 -0.154 0.000 2.944 90 H HA 0.409 4.964 4.556 -0.001 0.000 0.278 90 H C -0.092 174.840 175.328 -0.659 0.000 1.083 90 H CA 0.409 56.268 56.048 -0.315 0.000 1.479 90 H CB 0.203 29.797 29.762 -0.280 0.000 1.486 90 H HN 0.551 nan 8.280 nan 0.000 0.493 91 N N 5.454 123.516 118.700 -1.063 0.000 2.518 91 N HA 0.058 4.798 4.740 -0.001 0.000 0.254 91 N C -1.164 173.893 175.510 -0.754 0.000 0.979 91 N CA -0.638 51.646 53.050 -1.278 0.000 0.930 91 N CB 1.081 39.133 38.487 -0.726 0.000 1.152 91 N HN 0.647 nan 8.380 nan 0.000 0.505 92 D N 2.661 122.663 120.400 -0.662 0.000 2.348 92 D HA 0.125 4.765 4.640 -0.001 0.000 0.253 92 D C -2.104 174.248 176.300 0.087 0.000 1.161 92 D CA -1.018 52.852 54.000 -0.217 0.000 0.876 92 D CB 1.443 42.388 40.800 0.241 0.000 1.160 92 D HN 0.201 nan 8.370 nan 0.000 0.459 93 P HA 0.224 nan 4.420 nan 0.000 0.237 93 P C -0.078 177.419 177.300 0.328 0.000 1.788 93 P CA -0.111 62.990 63.100 0.002 0.000 1.061 93 P CB 0.269 31.838 31.700 -0.217 0.000 1.967 94 G N 0.827 110.003 108.800 0.627 0.000 3.209 94 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.686 94 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.686 94 G C -1.022 174.413 174.900 0.892 0.000 1.065 94 G CA -0.614 44.885 45.100 0.664 0.000 0.812 94 G HN 0.390 nan 8.290 nan 0.000 0.573 95 W N 2.480 124.123 121.300 0.571 0.000 4.518 95 W HA 0.233 4.892 4.660 -0.001 0.000 0.160 95 W C 1.806 178.510 176.519 0.309 0.000 3.470 95 W CA 1.193 58.841 57.345 0.505 0.000 1.183 95 W CB -0.841 28.998 29.460 0.631 0.000 2.083 95 W HN 0.902 nan 8.180 nan 0.000 0.403 96 I N 0.727 121.276 120.570 -0.035 0.000 3.427 96 I HA 0.268 4.438 4.170 -0.001 0.000 0.288 96 I C 0.261 176.260 176.117 -0.197 0.000 1.249 96 I CA 0.593 61.714 61.300 -0.299 0.000 1.421 96 I CB -0.145 37.559 38.000 -0.494 0.000 1.086 96 I HN 0.031 nan 8.210 nan 0.000 0.448 97 Q N 1.755 121.295 119.800 -0.433 0.000 2.445 97 Q HA 0.379 4.718 4.340 -0.001 0.000 0.281 97 Q C -0.192 175.587 176.000 -0.368 0.000 1.101 97 Q CA -0.776 54.718 55.803 -0.516 0.000 0.833 97 Q CB 2.031 30.165 28.738 -1.006 0.000 1.416 97 Q HN 0.319 nan 8.270 nan 0.000 0.451 98 T N -2.148 112.297 114.554 -0.183 0.000 2.766 98 T HA 0.100 4.449 4.350 -0.001 0.000 0.295 98 T C 0.790 175.587 174.700 0.161 0.000 1.024 98 T CA -0.465 61.603 62.100 -0.055 0.000 1.018 98 T CB 0.295 69.159 68.868 -0.006 0.000 1.002 98 T HN 0.568 nan 8.240 nan 0.000 0.532 99 F N 1.188 121.218 119.950 0.134 0.000 2.087 99 F HA -0.164 4.363 4.527 -0.001 0.000 0.299 99 F C 2.434 178.435 175.800 0.335 0.000 1.100 99 F CA 2.390 60.548 58.000 0.263 0.000 1.226 99 F CB -0.301 38.756 39.000 0.095 0.000 0.983 99 F HN 0.778 nan 8.300 nan 0.000 0.479 100 E N 0.237 120.648 120.200 0.352 0.000 2.152 100 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 100 E C 1.977 178.626 176.600 0.082 0.000 0.983 100 E CA 1.479 58.031 56.400 0.254 0.000 0.818 100 E CB -0.229 29.624 29.700 0.256 0.000 0.758 100 E HN 0.605 nan 8.360 nan 0.000 0.467 101 E N -0.924 119.259 120.200 -0.029 0.000 2.051 101 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 101 E C 1.737 178.129 176.600 -0.347 0.000 0.991 101 E CA 1.167 57.376 56.400 -0.319 0.000 0.799 101 E CB -0.241 29.331 29.700 -0.213 0.000 0.748 101 E HN 0.330 nan 8.360 nan 0.000 0.449 102 Y N -0.541 119.708 120.300 -0.086 0.000 2.224 102 Y HA -0.250 4.299 4.550 -0.001 0.000 0.289 102 Y C 2.201 178.041 175.900 -0.101 0.000 1.146 102 Y CA 1.204 59.245 58.100 -0.098 0.000 1.182 102 Y CB -0.681 37.813 38.460 0.057 0.000 0.983 102 Y HN 0.198 nan 8.280 nan 0.000 0.524 103 Y N 0.783 121.093 120.300 0.016 0.000 2.181 103 Y HA -0.256 4.294 4.550 -0.001 0.000 0.288 103 Y C 2.245 178.125 175.900 -0.034 0.000 1.146 103 Y CA 1.750 59.819 58.100 -0.052 0.000 1.164 103 Y CB -0.342 38.091 38.460 -0.045 0.000 0.982 103 Y HN 0.039 nan 8.280 nan 0.000 0.515 104 Q N -0.600 119.110 119.800 -0.150 0.000 2.119 104 Q HA -0.158 4.181 4.340 -0.001 0.000 0.201 104 Q C 2.081 178.083 176.000 0.003 0.000 0.972 104 Q CA 2.115 57.816 55.803 -0.169 0.000 0.847 104 Q CB -0.531 28.143 28.738 -0.106 0.000 0.903 104 Q HN 0.773 nan 8.270 nan 0.000 0.433 105 H N -0.861 118.233 119.070 0.039 0.000 2.465 105 H HA 0.062 4.617 4.556 -0.001 0.000 0.289 105 H C 0.886 176.304 175.328 0.151 0.000 1.022 105 H CA 0.588 56.686 56.048 0.084 0.000 1.340 105 H CB 0.727 30.498 29.762 0.015 0.000 1.437 105 H HN 0.197 nan 8.280 nan 0.000 0.539 106 D N -1.061 119.462 120.400 0.205 0.000 3.081 106 D HA 0.011 4.650 4.640 -0.001 0.000 0.243 106 D C 1.684 178.065 176.300 0.134 0.000 1.388 106 D CA 0.483 54.588 54.000 0.175 0.000 1.245 106 D CB 0.006 40.804 40.800 -0.005 0.000 1.319 106 D HN 0.046 nan 8.370 nan 0.000 0.377 107 T N 2.494 117.040 114.554 -0.013 0.000 2.867 107 T HA -0.132 4.218 4.350 -0.001 0.000 0.268 107 T C 1.941 176.498 174.700 -0.238 0.000 1.057 107 T CA 1.384 63.436 62.100 -0.081 0.000 1.136 107 T CB -0.053 68.596 68.868 -0.364 0.000 0.874 107 T HN 0.245 nan 8.240 nan 0.000 0.466 108 K N 0.846 120.917 120.400 -0.548 0.000 2.147 108 K HA -0.155 4.164 4.320 -0.001 0.000 0.205 108 K C 1.932 178.303 176.600 -0.382 0.000 1.049 108 K CA 1.431 57.371 56.287 -0.578 0.000 0.936 108 K CB -0.404 31.512 32.500 -0.974 0.000 0.722 108 K HN 0.402 nan 8.250 nan 0.000 0.446 109 H N 1.006 120.016 119.070 -0.101 0.000 2.363 109 H HA 0.032 4.587 4.556 -0.001 0.000 0.301 109 H C 2.315 177.658 175.328 0.026 0.000 1.074 109 H CA 1.503 57.549 56.048 -0.004 0.000 1.354 109 H CB -0.173 29.610 29.762 0.035 0.000 1.397 109 H HN 0.195 nan 8.280 nan 0.000 0.516 110 I N 0.749 121.410 120.570 0.152 0.000 2.179 110 I HA -0.266 3.903 4.170 -0.001 0.000 0.242 110 I C 2.478 178.606 176.117 0.019 0.000 1.088 110 I CA 1.083 62.513 61.300 0.218 0.000 1.357 110 I CB -0.251 37.944 38.000 0.324 0.000 1.051 110 I HN 0.087 nan 8.210 nan 0.000 0.409 111 L N -0.505 120.506 121.223 -0.353 0.000 2.109 111 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 111 L C 2.724 179.229 176.870 -0.608 0.000 1.086 111 L CA 1.114 55.489 54.840 -0.774 0.000 0.760 111 L CB -0.506 40.524 42.059 -1.716 0.000 0.910 111 L HN 0.232 nan 8.230 nan 0.000 0.437 112 S N 0.223 115.713 115.700 -0.351 0.000 2.356 112 S HA -0.165 4.304 4.470 -0.001 0.000 0.223 112 S C 1.829 176.400 174.600 -0.048 0.000 1.032 112 S CA 1.562 59.785 58.200 0.038 0.000 1.005 112 S CB -0.171 63.111 63.200 0.136 0.000 0.867 112 S HN 0.443 nan 8.310 nan 0.000 0.449 113 N N 1.669 120.342 118.700 -0.045 0.000 2.244 113 N HA 0.061 4.800 4.740 -0.001 0.000 0.183 113 N C 1.868 177.053 175.510 -0.542 0.000 1.016 113 N CA 1.162 54.137 53.050 -0.126 0.000 0.866 113 N CB -0.826 37.705 38.487 0.072 0.000 0.980 113 N HN 0.505 nan 8.380 nan 0.000 0.430 114 A N 1.294 123.845 122.820 -0.449 0.000 1.877 114 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 114 A C 2.231 179.537 177.584 -0.462 0.000 1.186 114 A CA 1.072 52.704 52.037 -0.675 0.000 0.620 114 A CB -0.777 18.093 19.000 -0.216 0.000 0.822 114 A HN 0.239 nan 8.150 nan 0.000 0.443 115 L N 0.044 121.133 121.223 -0.223 0.000 2.017 115 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 115 L C 2.476 179.261 176.870 -0.142 0.000 1.073 115 L CA 2.572 57.357 54.840 -0.092 0.000 0.745 115 L CB -0.664 41.414 42.059 0.031 0.000 0.894 115 L HN 0.503 nan 8.230 nan 0.000 0.432 116 R N -1.541 118.834 120.500 -0.209 0.000 2.070 116 R HA -0.193 4.147 4.340 -0.001 0.000 0.233 116 R C 2.381 178.481 176.300 -0.334 0.000 1.137 116 R CA 1.863 57.812 56.100 -0.251 0.000 0.945 116 R CB -0.605 29.527 30.300 -0.280 0.000 0.845 116 R HN 0.566 nan 8.270 nan 0.000 0.430 117 H N 0.386 119.144 119.070 -0.520 0.000 2.389 117 H HA -0.078 4.477 4.556 -0.001 0.000 0.299 117 H C 2.267 177.374 175.328 -0.368 0.000 1.081 117 H CA 1.666 57.395 56.048 -0.531 0.000 1.345 117 H CB 0.033 29.207 29.762 -0.980 0.000 1.393 117 H HN 0.257 nan 8.280 nan 0.000 0.520 118 L N -0.146 120.900 121.223 -0.294 0.000 2.109 118 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 118 L C 2.756 179.593 176.870 -0.054 0.000 1.086 118 L CA 0.912 55.667 54.840 -0.143 0.000 0.760 118 L CB -0.583 41.407 42.059 -0.115 0.000 0.910 118 L HN 0.384 nan 8.230 nan 0.000 0.437 119 H N 0.574 119.566 119.070 -0.130 0.000 2.352 119 H HA -0.193 4.362 4.556 -0.001 0.000 0.299 119 H C 1.263 176.543 175.328 -0.081 0.000 1.097 119 H CA 1.976 57.974 56.048 -0.083 0.000 1.311 119 H CB 0.244 29.955 29.762 -0.084 0.000 1.377 119 H HN 0.318 nan 8.280 nan 0.000 0.504 120 D N 0.298 120.688 120.400 -0.016 0.000 2.347 120 D HA -0.004 4.635 4.640 -0.001 0.000 0.213 120 D C -0.024 176.240 176.300 -0.060 0.000 0.985 120 D CA 0.480 54.449 54.000 -0.052 0.000 0.879 120 D CB 0.045 40.802 40.800 -0.071 0.000 0.919 120 D HN 0.307 nan 8.370 nan 0.000 0.526 121 N N 0.583 119.255 118.700 -0.047 0.000 2.716 121 N HA 0.144 4.883 4.740 -0.001 0.000 0.253 121 N C -2.189 173.326 175.510 0.009 0.000 1.170 121 N CA -1.053 52.000 53.050 0.006 0.000 0.807 121 N CB 2.374 40.893 38.487 0.055 0.000 1.183 121 N HN -0.135 nan 8.380 nan 0.000 0.524 122 P HA -0.097 nan 4.420 nan 0.000 0.221 122 P C 0.925 178.253 177.300 0.047 0.000 1.145 122 P CA 1.204 64.303 63.100 -0.001 0.000 0.795 122 P CB 0.553 32.246 31.700 -0.011 0.000 0.775 123 E N -1.705 118.555 120.200 0.100 0.000 2.474 123 E HA 0.062 4.411 4.350 -0.001 0.000 0.194 123 E C 0.791 177.528 176.600 0.227 0.000 1.041 123 E CA 0.059 56.560 56.400 0.169 0.000 0.874 123 E CB -0.332 29.502 29.700 0.223 0.000 0.914 123 E HN 0.253 nan 8.360 nan 0.000 0.498 124 M N 1.537 121.205 119.600 0.114 0.000 2.242 124 M HA 0.114 4.594 4.480 -0.001 0.000 0.344 124 M C -0.336 175.939 176.300 -0.043 0.000 1.140 124 M CA 0.165 55.421 55.300 -0.073 0.000 1.160 124 M CB 0.497 33.042 32.600 -0.092 0.000 1.491 124 M HN -0.363 nan 8.290 nan 0.000 0.459 125 K N 3.053 123.383 120.400 -0.117 0.000 2.433 125 K HA 0.668 4.988 4.320 -0.001 0.000 0.252 125 K C -1.711 174.910 176.600 0.036 0.000 1.015 125 K CA -0.486 55.797 56.287 -0.008 0.000 0.860 125 K CB 2.132 34.653 32.500 0.035 0.000 1.359 125 K HN 0.676 nan 8.250 nan 0.000 0.452 126 F N 1.187 121.039 119.950 -0.163 0.000 2.672 126 F HA 0.439 4.966 4.527 -0.001 0.000 0.311 126 F C -1.553 174.131 175.800 -0.193 0.000 1.113 126 F CA -1.269 56.618 58.000 -0.189 0.000 0.996 126 F CB 1.007 39.972 39.000 -0.058 0.000 1.286 126 F HN 0.454 nan 8.300 nan 0.000 0.441 127 I N 1.736 121.941 120.570 -0.608 0.000 2.562 127 I HA 0.614 4.783 4.170 -0.001 0.000 0.301 127 I C -1.768 173.914 176.117 -0.725 0.000 1.003 127 I CA -0.604 60.317 61.300 -0.631 0.000 1.127 127 I CB 2.533 40.114 38.000 -0.698 0.000 1.304 127 I HN 0.702 nan 8.210 nan 0.000 0.446 128 W N 4.670 125.575 121.300 -0.658 0.000 2.957 128 W HA 0.630 5.290 4.660 -0.001 0.000 0.336 128 W C -0.737 175.696 176.519 -0.144 0.000 1.087 128 W CA -0.541 56.549 57.345 -0.424 0.000 1.235 128 W CB 2.691 31.960 29.460 -0.318 0.000 1.399 128 W HN 0.795 nan 8.180 nan 0.000 0.480 129 A N 3.439 125.850 122.820 -0.682 0.000 1.984 129 A HA 0.152 4.471 4.320 -0.001 0.000 0.203 129 A C -0.004 177.506 177.584 -0.124 0.000 1.292 129 A CA 0.546 52.434 52.037 -0.249 0.000 0.782 129 A CB -0.020 18.897 19.000 -0.139 0.000 0.924 129 A HN 0.503 nan 8.150 nan 0.000 0.475 130 E N 1.090 121.094 120.200 -0.326 0.000 2.001 130 E HA 0.304 4.653 4.350 -0.001 0.000 0.279 130 E C 0.523 177.261 176.600 0.230 0.000 1.045 130 E CA -0.283 56.107 56.400 -0.016 0.000 0.833 130 E CB 0.711 30.404 29.700 -0.011 0.000 1.077 130 E HN 0.294 nan 8.360 nan 0.000 0.397 131 I N 1.419 122.016 120.570 0.045 0.000 2.493 131 I HA -0.219 3.951 4.170 -0.001 0.000 0.254 131 I C 1.938 177.649 176.117 -0.675 0.000 1.160 131 I CA 0.974 62.205 61.300 -0.115 0.000 1.445 131 I CB -1.396 36.587 38.000 -0.028 0.000 1.086 131 I HN 0.403 nan 8.210 nan 0.000 0.433 132 S N 1.056 116.088 115.700 -1.113 0.000 2.365 132 S HA -0.257 4.212 4.470 -0.001 0.000 0.225 132 S C 2.129 176.460 174.600 -0.450 0.000 1.039 132 S CA 1.262 58.508 58.200 -1.590 0.000 1.033 132 S CB -0.990 61.392 63.200 -1.364 0.000 0.887 132 S HN 0.359 nan 8.310 nan 0.000 0.447 133 Y N 0.568 120.893 120.300 0.041 0.000 2.263 133 Y HA 0.167 4.716 4.550 -0.001 0.000 0.292 133 Y C 2.184 178.146 175.900 0.103 0.000 1.130 133 Y CA 0.197 58.418 58.100 0.203 0.000 1.179 133 Y CB -0.886 37.797 38.460 0.372 0.000 0.998 133 Y HN 0.340 nan 8.280 nan 0.000 0.532 134 F N 0.001 120.015 119.950 0.108 0.000 2.171 134 F HA -0.152 4.374 4.527 -0.001 0.000 0.300 134 F C 2.311 177.921 175.800 -0.316 0.000 1.090 134 F CA 1.243 59.176 58.000 -0.112 0.000 1.293 134 F CB -0.392 38.523 39.000 -0.142 0.000 1.013 134 F HN -0.022 nan 8.300 nan 0.000 0.486 135 A N 0.218 122.679 122.820 -0.598 0.000 1.898 135 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 135 A C 2.141 179.607 177.584 -0.195 0.000 1.181 135 A CA 1.656 53.196 52.037 -0.828 0.000 0.620 135 A CB -0.729 17.680 19.000 -0.985 0.000 0.819 135 A HN 0.381 nan 8.150 nan 0.000 0.442 136 R N -0.980 119.452 120.500 -0.114 0.000 2.105 136 R HA -0.142 4.197 4.340 -0.001 0.000 0.239 136 R C 1.704 177.919 176.300 -0.141 0.000 1.135 136 R CA 2.041 58.077 56.100 -0.106 0.000 0.967 136 R CB -0.844 29.351 30.300 -0.175 0.000 0.861 136 R HN 0.491 nan 8.270 nan 0.000 0.442 137 F N -0.557 119.287 119.950 -0.176 0.000 2.187 137 F HA -0.058 4.468 4.527 -0.001 0.000 0.295 137 F C 1.840 177.547 175.800 -0.155 0.000 1.091 137 F CA 1.262 59.235 58.000 -0.046 0.000 1.308 137 F CB -0.639 38.281 39.000 -0.134 0.000 1.030 137 F HN 0.105 nan 8.300 nan 0.000 0.487 138 Y N 0.112 120.149 120.300 -0.438 0.000 2.293 138 Y HA -0.191 4.358 4.550 -0.001 0.000 0.291 138 Y C 2.408 178.037 175.900 -0.451 0.000 1.137 138 Y CA 1.948 59.750 58.100 -0.497 0.000 1.202 138 Y CB -0.593 37.677 38.460 -0.316 0.000 0.990 138 Y HN 0.132 nan 8.280 nan 0.000 0.537 139 H N -1.101 117.932 119.070 -0.063 0.000 2.551 139 H HA 0.011 4.566 4.556 -0.001 0.000 0.266 139 H C 0.638 175.867 175.328 -0.164 0.000 0.977 139 H CA 1.000 56.992 56.048 -0.094 0.000 1.163 139 H CB 0.085 29.850 29.762 0.006 0.000 1.381 139 H HN 0.428 nan 8.280 nan 0.000 0.581 140 D N 0.234 120.537 120.400 -0.161 0.000 2.339 140 D HA 0.098 4.737 4.640 -0.001 0.000 0.217 140 D C 0.531 176.649 176.300 -0.303 0.000 1.050 140 D CA 0.079 53.971 54.000 -0.180 0.000 0.856 140 D CB 0.587 41.321 40.800 -0.111 0.000 0.922 140 D HN 0.215 nan 8.370 nan 0.000 0.518 141 L N 0.656 121.612 121.223 -0.445 0.000 2.326 141 L HA 0.400 4.740 4.340 -0.001 0.000 0.278 141 L C 1.327 178.005 176.870 -0.320 0.000 1.092 141 L CA -0.718 53.843 54.840 -0.465 0.000 0.810 141 L CB 1.386 43.065 42.059 -0.633 0.000 1.153 141 L HN -0.045 nan 8.230 nan 0.000 0.439 142 G N 0.978 109.641 108.800 -0.228 0.000 2.634 142 G HA2 0.032 3.991 3.960 -0.001 0.000 0.255 142 G HA3 0.032 3.991 3.960 -0.001 0.000 0.255 142 G C 0.613 175.419 174.900 -0.157 0.000 1.205 142 G CA -0.243 44.763 45.100 -0.157 0.000 0.884 142 G HN 0.749 nan 8.290 nan 0.000 0.549 143 E N 0.026 120.167 120.200 -0.100 0.000 2.110 143 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 143 E C 2.370 178.936 176.600 -0.056 0.000 0.988 143 E CA 1.337 57.695 56.400 -0.070 0.000 0.804 143 E CB -0.034 29.648 29.700 -0.030 0.000 0.745 143 E HN 0.494 nan 8.360 nan 0.000 0.458 144 N N 0.397 119.063 118.700 -0.057 0.000 2.069 144 N HA -0.146 4.593 4.740 -0.001 0.000 0.191 144 N C 1.535 177.012 175.510 -0.056 0.000 1.031 144 N CA 1.106 54.127 53.050 -0.047 0.000 0.852 144 N CB -0.154 38.300 38.487 -0.054 0.000 1.018 144 N HN 0.151 nan 8.380 nan 0.000 0.423 145 K N 1.325 121.673 120.400 -0.088 0.000 2.155 145 K HA 0.009 4.328 4.320 -0.001 0.000 0.203 145 K C 1.890 178.460 176.600 -0.050 0.000 1.052 145 K CA 0.580 56.816 56.287 -0.086 0.000 0.948 145 K CB -0.027 32.398 32.500 -0.125 0.000 0.728 145 K HN 0.261 nan 8.250 nan 0.000 0.448 146 K N 0.931 121.265 120.400 -0.110 0.000 2.026 146 K HA -0.074 4.246 4.320 -0.001 0.000 0.208 146 K C 2.264 178.948 176.600 0.141 0.000 1.048 146 K CA 1.027 57.284 56.287 -0.050 0.000 0.929 146 K CB -0.187 32.187 32.500 -0.211 0.000 0.713 146 K HN 0.037 nan 8.250 nan 0.000 0.439 147 L N 1.166 122.436 121.223 0.079 0.000 2.046 147 L HA -0.244 4.095 4.340 -0.001 0.000 0.208 147 L C 2.619 179.558 176.870 0.116 0.000 1.077 147 L CA 1.377 56.277 54.840 0.100 0.000 0.747 147 L CB -0.462 41.634 42.059 0.062 0.000 0.896 147 L HN 0.260 nan 8.230 nan 0.000 0.432 148 Q N -0.876 118.973 119.800 0.083 0.000 2.112 148 Q HA -0.293 4.046 4.340 -0.001 0.000 0.206 148 Q C 2.234 178.330 176.000 0.160 0.000 0.987 148 Q CA 1.976 57.837 55.803 0.097 0.000 0.858 148 Q CB -0.218 28.506 28.738 -0.024 0.000 0.905 148 Q HN 0.378 nan 8.270 nan 0.000 0.420 149 M N 0.913 120.632 119.600 0.199 0.000 2.132 149 M HA -0.136 4.343 4.480 -0.001 0.000 0.263 149 M C 1.611 178.093 176.300 0.303 0.000 1.065 149 M CA 1.724 57.206 55.300 0.302 0.000 1.122 149 M CB 0.065 32.943 32.600 0.464 0.000 1.365 149 M HN -0.096 nan 8.290 nan 0.000 0.411 150 K N -0.404 120.167 120.400 0.286 0.000 2.147 150 K HA -0.129 4.190 4.320 -0.001 0.000 0.205 150 K C 2.095 178.795 176.600 0.166 0.000 1.049 150 K CA 1.652 58.079 56.287 0.233 0.000 0.936 150 K CB -0.378 32.245 32.500 0.205 0.000 0.722 150 K HN 0.599 nan 8.250 nan 0.000 0.446 151 S N 1.734 117.524 115.700 0.150 0.000 2.368 151 S HA -0.138 4.331 4.470 -0.001 0.000 0.224 151 S C 2.093 176.752 174.600 0.098 0.000 1.029 151 S CA 1.212 59.481 58.200 0.115 0.000 0.988 151 S CB -0.681 62.590 63.200 0.118 0.000 0.838 151 S HN 0.461 nan 8.310 nan 0.000 0.462 152 I N -0.605 120.035 120.570 0.117 0.000 2.928 152 I HA 0.115 4.284 4.170 -0.001 0.000 0.266 152 I C 1.933 178.085 176.117 0.060 0.000 1.234 152 I CA 0.420 61.768 61.300 0.079 0.000 1.483 152 I CB -0.350 37.698 38.000 0.079 0.000 1.097 152 I HN 0.136 nan 8.210 nan 0.000 0.455 153 V N 1.541 121.512 119.914 0.096 0.000 2.346 153 V HA -0.180 3.939 4.120 -0.001 0.000 0.244 153 V C 2.696 178.829 176.094 0.064 0.000 1.037 153 V CA 1.947 64.295 62.300 0.080 0.000 1.029 153 V CB -0.668 31.268 31.823 0.188 0.000 0.663 153 V HN 0.395 nan 8.190 nan 0.000 0.454 154 K N 1.512 121.957 120.400 0.075 0.000 2.063 154 K HA -0.233 4.086 4.320 -0.001 0.000 0.208 154 K C 1.790 178.409 176.600 0.032 0.000 1.048 154 K CA 1.968 58.287 56.287 0.053 0.000 0.928 154 K CB -0.245 32.289 32.500 0.056 0.000 0.713 154 K HN 0.668 nan 8.250 nan 0.000 0.442 155 N N -0.694 118.024 118.700 0.030 0.000 2.461 155 N HA 0.000 4.740 4.740 -0.001 0.000 0.188 155 N C 0.778 176.292 175.510 0.007 0.000 1.134 155 N CA 1.104 54.164 53.050 0.016 0.000 0.878 155 N CB 0.470 38.965 38.487 0.013 0.000 0.972 155 N HN 0.342 nan 8.380 nan 0.000 0.456 156 G N -0.244 108.557 108.800 0.002 0.000 2.157 156 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.248 156 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.248 156 G C 0.749 175.636 174.900 -0.022 0.000 0.979 156 G CA 0.453 45.544 45.100 -0.015 0.000 0.650 156 G HN 0.458 nan 8.290 nan 0.000 0.529 157 Q N -1.327 118.466 119.800 -0.011 0.000 2.096 157 Q HA 0.231 4.570 4.340 -0.001 0.000 0.197 157 Q C 1.158 177.146 176.000 -0.020 0.000 0.964 157 Q CA 0.918 56.718 55.803 -0.005 0.000 0.838 157 Q CB 0.208 28.948 28.738 0.005 0.000 0.906 157 Q HN 0.541 nan 8.270 nan 0.000 0.444 158 L N 1.547 122.739 121.223 -0.051 0.000 2.257 158 L HA 0.252 4.591 4.340 -0.001 0.000 0.290 158 L C -0.858 175.824 176.870 -0.312 0.000 1.044 158 L CA 0.043 54.797 54.840 -0.144 0.000 0.810 158 L CB 1.230 43.207 42.059 -0.137 0.000 1.193 158 L HN -0.056 nan 8.230 nan 0.000 0.425 159 E N 4.314 124.296 120.200 -0.363 0.000 2.176 159 E HA 0.345 4.695 4.350 -0.001 0.000 0.267 159 E C -1.406 174.911 176.600 -0.471 0.000 0.893 159 E CA -0.743 55.451 56.400 -0.344 0.000 0.761 159 E CB 0.899 30.480 29.700 -0.199 0.000 1.133 159 E HN 0.475 nan 8.360 nan 0.000 0.409 160 F N 3.324 123.226 119.950 -0.080 0.000 2.427 160 F HA 0.216 4.742 4.527 -0.001 0.000 0.352 160 F C 0.252 176.020 175.800 -0.053 0.000 1.100 160 F CA -0.529 57.435 58.000 -0.061 0.000 1.191 160 F CB 1.208 40.179 39.000 -0.048 0.000 1.128 160 F HN 0.180 nan 8.300 nan 0.000 0.533 161 V N 0.002 119.977 119.914 0.102 0.000 2.495 161 V HA 0.652 4.771 4.120 -0.001 0.000 0.298 161 V C 0.241 176.461 176.094 0.210 0.000 1.031 161 V CA -0.561 61.795 62.300 0.094 0.000 0.871 161 V CB 0.906 32.687 31.823 -0.070 0.000 0.988 161 V HN 0.973 nan 8.190 nan 0.000 0.432 162 T N 3.119 117.872 114.554 0.332 0.000 12.940 162 T HA -0.310 4.039 4.350 -0.001 0.000 0.419 162 T C 1.752 176.683 174.700 0.385 0.000 1.444 162 T CA 2.880 65.224 62.100 0.406 0.000 2.373 162 T CB -1.679 67.327 68.868 0.231 0.000 2.821 162 T HN 2.770 nan 8.240 nan 0.000 0.696 163 G N 1.786 110.745 108.800 0.266 0.000 2.143 163 G HA2 0.072 4.032 3.960 -0.001 0.000 0.249 163 G HA3 0.072 4.032 3.960 -0.001 0.000 0.249 163 G C 0.363 175.401 174.900 0.231 0.000 0.981 163 G CA 0.639 45.871 45.100 0.221 0.000 0.665 163 G HN 1.587 nan 8.290 nan 0.000 0.528 164 G N -1.604 107.330 108.800 0.223 0.000 2.634 164 G HA2 0.346 4.305 3.960 -0.001 0.000 0.255 164 G HA3 0.346 4.305 3.960 -0.001 0.000 0.255 164 G C 0.971 176.039 174.900 0.279 0.000 1.205 164 G CA 0.215 45.458 45.100 0.238 0.000 0.884 164 G HN 0.334 nan 8.290 nan 0.000 0.549 165 W N 0.276 121.618 121.300 0.070 0.000 2.342 165 W HA -0.008 4.651 4.660 -0.001 0.000 0.297 165 W C 0.668 177.214 176.519 0.044 0.000 1.213 165 W CA 1.855 59.227 57.345 0.045 0.000 1.251 165 W CB 0.244 29.715 29.460 0.018 0.000 1.136 165 W HN 0.402 nan 8.180 nan 0.000 0.526 166 V N -2.720 117.311 119.914 0.195 0.000 3.156 166 V HA 0.495 4.614 4.120 -0.001 0.000 0.310 166 V C -0.483 175.691 176.094 0.134 0.000 1.234 166 V CA -1.302 61.059 62.300 0.101 0.000 1.065 166 V CB 1.758 33.662 31.823 0.134 0.000 1.088 166 V HN -0.061 nan 8.190 nan 0.000 0.451 167 M N 3.933 123.638 119.600 0.175 0.000 2.152 167 M HA 0.521 5.000 4.480 -0.001 0.000 0.354 167 M C -2.679 173.770 176.300 0.248 0.000 1.173 167 M CA -1.862 53.555 55.300 0.196 0.000 1.110 167 M CB 1.413 34.151 32.600 0.230 0.000 1.366 167 M HN 0.632 nan 8.290 nan 0.000 0.415 168 P HA 0.134 nan 4.420 nan 0.000 0.277 168 P C -1.018 176.290 177.300 0.014 0.000 1.240 168 P CA -0.204 62.944 63.100 0.081 0.000 0.798 168 P CB 0.563 32.298 31.700 0.058 0.000 0.979 169 D N 0.635 121.010 120.400 -0.042 0.000 2.449 169 D HA -0.060 4.580 4.640 -0.001 0.000 0.236 169 D C 0.738 177.056 176.300 0.029 0.000 1.149 169 D CA 0.599 54.559 54.000 -0.066 0.000 0.878 169 D CB 0.478 41.255 40.800 -0.039 0.000 1.198 169 D HN 0.301 nan 8.370 nan 0.000 0.446 170 E N 1.519 121.781 120.200 0.103 0.000 2.489 170 E HA 0.169 4.518 4.350 -0.001 0.000 0.204 170 E C 0.983 177.780 176.600 0.328 0.000 1.006 170 E CA 0.067 56.594 56.400 0.212 0.000 0.936 170 E CB 0.612 30.435 29.700 0.206 0.000 1.002 170 E HN 0.480 nan 8.360 nan 0.000 0.488 171 A N 1.526 124.497 122.820 0.252 0.000 1.901 171 A HA 0.007 4.326 4.320 -0.001 0.000 0.210 171 A C 1.836 179.320 177.584 -0.166 0.000 1.208 171 A CA 0.657 52.605 52.037 -0.149 0.000 0.644 171 A CB 0.028 18.923 19.000 -0.175 0.000 0.863 171 A HN 0.032 nan 8.150 nan 0.000 0.454 172 N N 0.548 119.244 118.700 -0.007 0.000 2.356 172 N HA 0.015 4.754 4.740 -0.001 0.000 0.178 172 N C 0.460 175.970 175.510 0.001 0.000 1.075 172 N CA 0.758 53.795 53.050 -0.021 0.000 0.889 172 N CB 0.055 38.577 38.487 0.058 0.000 0.999 172 N HN 0.500 nan 8.380 nan 0.000 0.464 173 S N 0.696 116.407 115.700 0.018 0.000 2.562 173 S HA 0.036 4.505 4.470 -0.001 0.000 0.281 173 S C 0.020 174.643 174.600 0.038 0.000 1.333 173 S CA -0.548 57.672 58.200 0.033 0.000 1.052 173 S CB 1.143 64.364 63.200 0.034 0.000 0.884 173 S HN 0.212 nan 8.310 nan 0.000 0.506 174 H N 3.305 122.354 119.070 -0.034 0.000 2.582 174 H HA 0.061 4.616 4.556 -0.001 0.000 0.345 174 H C 1.217 176.510 175.328 -0.057 0.000 1.104 174 H CA -0.348 55.663 56.048 -0.062 0.000 1.390 174 H CB 0.571 30.245 29.762 -0.146 0.000 1.461 174 H HN 1.028 nan 8.280 nan 0.000 0.551 175 W N 5.655 126.834 121.300 -0.201 0.000 2.364 175 W HA -0.158 4.501 4.660 -0.001 0.000 0.281 175 W C 1.006 177.586 176.519 0.102 0.000 1.219 175 W CA 0.335 57.646 57.345 -0.057 0.000 1.220 175 W CB -0.482 28.877 29.460 -0.169 0.000 1.127 175 W HN 0.529 nan 8.180 nan 0.000 0.556 176 R N 0.778 120.908 120.500 -0.616 0.000 2.115 176 R HA -0.116 4.223 4.340 -0.001 0.000 0.230 176 R C 1.995 178.126 176.300 -0.281 0.000 1.111 176 R CA 1.768 57.401 56.100 -0.779 0.000 0.976 176 R CB -0.375 29.400 30.300 -0.876 0.000 0.870 176 R HN 0.141 nan 8.270 nan 0.000 0.445 177 N N -0.146 118.473 118.700 -0.134 0.000 2.376 177 N HA -0.058 4.681 4.740 -0.001 0.000 0.177 177 N C 1.749 177.260 175.510 0.001 0.000 1.024 177 N CA 0.703 53.717 53.050 -0.059 0.000 0.893 177 N CB -0.033 38.439 38.487 -0.025 0.000 0.980 177 N HN -0.009 nan 8.380 nan 0.000 0.439 178 V N 1.618 121.556 119.914 0.040 0.000 2.287 178 V HA -0.194 3.925 4.120 -0.001 0.000 0.248 178 V C 2.372 178.506 176.094 0.067 0.000 1.053 178 V CA 1.192 63.534 62.300 0.069 0.000 1.027 178 V CB -0.539 31.344 31.823 0.100 0.000 0.646 178 V HN 0.195 nan 8.190 nan 0.000 0.447 179 L N -0.322 120.950 121.223 0.082 0.000 2.046 179 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 179 L C 2.190 179.065 176.870 0.009 0.000 1.077 179 L CA 1.837 56.717 54.840 0.068 0.000 0.747 179 L CB -0.709 41.428 42.059 0.129 0.000 0.896 179 L HN 0.291 nan 8.230 nan 0.000 0.432 180 L N -0.009 121.199 121.223 -0.026 0.000 1.990 180 L HA -0.272 4.067 4.340 -0.001 0.000 0.213 180 L C 2.606 179.463 176.870 -0.021 0.000 1.072 180 L CA 2.465 57.278 54.840 -0.045 0.000 0.755 180 L CB -0.845 41.168 42.059 -0.076 0.000 0.889 180 L HN 0.690 nan 8.230 nan 0.000 0.432 181 Q N -0.986 118.825 119.800 0.018 0.000 2.172 181 Q HA -0.186 4.153 4.340 -0.001 0.000 0.200 181 Q C 2.013 178.099 176.000 0.143 0.000 0.964 181 Q CA 2.018 57.869 55.803 0.080 0.000 0.855 181 Q CB -1.154 27.665 28.738 0.135 0.000 0.918 181 Q HN 0.483 nan 8.270 nan 0.000 0.444 182 L N 0.803 122.092 121.223 0.110 0.000 2.046 182 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 182 L C 1.910 178.861 176.870 0.137 0.000 1.077 182 L CA 2.412 57.332 54.840 0.132 0.000 0.747 182 L CB -0.992 41.120 42.059 0.088 0.000 0.896 182 L HN 0.327 nan 8.230 nan 0.000 0.432 183 T N -0.947 113.653 114.554 0.076 0.000 2.746 183 T HA -0.180 4.169 4.350 -0.001 0.000 0.267 183 T C 1.722 176.478 174.700 0.093 0.000 1.039 183 T CA 1.425 63.560 62.100 0.059 0.000 1.142 183 T CB -0.166 68.698 68.868 -0.007 0.000 0.866 183 T HN 0.317 nan 8.240 nan 0.000 0.444 184 E N 0.952 121.183 120.200 0.051 0.000 2.058 184 E HA -0.057 4.292 4.350 -0.001 0.000 0.194 184 E C 2.341 179.097 176.600 0.259 0.000 0.997 184 E CA 1.600 57.992 56.400 -0.013 0.000 0.801 184 E CB -0.884 28.605 29.700 -0.352 0.000 0.746 184 E HN 0.450 nan 8.360 nan 0.000 0.450 185 G N -0.079 108.973 108.800 0.420 0.000 2.404 185 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.215 185 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.215 185 G C 1.493 176.628 174.900 0.391 0.000 1.174 185 G CA 0.691 46.117 45.100 0.544 0.000 0.780 185 G HN 0.256 nan 8.290 nan 0.000 0.537 186 Q N -0.138 119.822 119.800 0.267 0.000 2.167 186 Q HA -0.078 4.262 4.340 -0.001 0.000 0.202 186 Q C 2.812 178.917 176.000 0.177 0.000 0.970 186 Q CA 1.542 57.459 55.803 0.190 0.000 0.855 186 Q CB -0.274 28.558 28.738 0.155 0.000 0.911 186 Q HN 0.426 nan 8.270 nan 0.000 0.438 187 T N 0.085 114.758 114.554 0.198 0.000 2.777 187 T HA -0.180 4.169 4.350 -0.001 0.000 0.266 187 T C 1.091 175.909 174.700 0.196 0.000 1.040 187 T CA 1.042 63.236 62.100 0.157 0.000 1.141 187 T CB -0.370 68.584 68.868 0.142 0.000 0.868 187 T HN 0.468 nan 8.240 nan 0.000 0.444 188 W N 1.603 123.023 121.300 0.200 0.000 2.354 188 W HA -0.054 4.605 4.660 -0.001 0.000 0.315 188 W C 1.815 178.472 176.519 0.229 0.000 1.206 188 W CA 0.975 58.523 57.345 0.339 0.000 1.290 188 W CB -0.449 29.284 29.460 0.455 0.000 1.152 188 W HN 0.134 nan 8.180 nan 0.000 0.489 189 L N 0.604 122.061 121.223 0.390 0.000 2.083 189 L HA -0.237 4.103 4.340 -0.001 0.000 0.209 189 L C 2.566 179.385 176.870 -0.084 0.000 1.083 189 L CA 1.875 56.761 54.840 0.078 0.000 0.752 189 L CB -0.901 41.127 42.059 -0.050 0.000 0.899 189 L HN 0.009 nan 8.230 nan 0.000 0.433 190 K N 0.058 120.427 120.400 -0.051 0.000 2.057 190 K HA -0.242 4.077 4.320 -0.001 0.000 0.206 190 K C 2.191 178.670 176.600 -0.201 0.000 1.050 190 K CA 1.396 57.626 56.287 -0.095 0.000 0.935 190 K CB -0.005 32.465 32.500 -0.050 0.000 0.715 190 K HN 0.237 nan 8.250 nan 0.000 0.439 191 Q N -0.821 118.794 119.800 -0.308 0.000 2.079 191 Q HA -0.140 4.199 4.340 -0.001 0.000 0.200 191 Q C 1.298 176.835 176.000 -0.772 0.000 0.974 191 Q CA 1.718 57.178 55.803 -0.573 0.000 0.840 191 Q CB 0.059 28.342 28.738 -0.758 0.000 0.898 191 Q HN 0.328 nan 8.270 nan 0.000 0.430 192 F N -1.585 118.034 119.950 -0.551 0.000 2.622 192 F HA 0.183 4.709 4.527 -0.001 0.000 0.288 192 F C 1.732 177.267 175.800 -0.442 0.000 1.120 192 F CA 0.254 57.871 58.000 -0.639 0.000 1.423 192 F CB 0.441 38.635 39.000 -1.344 0.000 1.127 192 F HN 0.064 nan 8.300 nan 0.000 0.588 193 M N -0.872 118.599 119.600 -0.216 0.000 2.308 193 M HA 0.207 4.686 4.480 -0.001 0.000 0.269 193 M C 0.243 176.529 176.300 -0.023 0.000 1.040 193 M CA 0.291 55.557 55.300 -0.056 0.000 1.024 193 M CB -0.560 32.036 32.600 -0.007 0.000 1.465 193 M HN 0.085 nan 8.290 nan 0.000 0.517 194 N N 2.034 120.689 118.700 -0.075 0.000 2.727 194 N HA -0.134 4.606 4.740 -0.001 0.000 0.249 194 N C -0.903 174.594 175.510 -0.022 0.000 1.048 194 N CA 0.658 53.676 53.050 -0.053 0.000 0.714 194 N CB -1.003 37.463 38.487 -0.035 0.000 0.959 194 N HN 0.371 nan 8.380 nan 0.000 0.544 195 V N -3.631 116.271 119.914 -0.019 0.000 2.876 195 V HA 0.883 5.002 4.120 -0.001 0.000 0.312 195 V C 0.153 176.236 176.094 -0.017 0.000 1.085 195 V CA -0.473 61.830 62.300 0.005 0.000 0.945 195 V CB 2.375 34.247 31.823 0.082 0.000 1.017 195 V HN 0.063 nan 8.190 nan 0.000 0.428 196 T N 4.427 118.960 114.554 -0.034 0.000 2.930 196 T HA 0.561 4.910 4.350 -0.001 0.000 0.313 196 T C -2.698 171.924 174.700 -0.131 0.000 1.019 196 T CA -0.756 61.304 62.100 -0.067 0.000 1.004 196 T CB 1.295 70.114 68.868 -0.082 0.000 0.987 196 T HN 0.771 nan 8.240 nan 0.000 0.456 197 P HA 0.161 nan 4.420 nan 0.000 0.267 197 P C 0.821 177.743 177.300 -0.630 0.000 1.200 197 P CA -0.146 62.833 63.100 -0.202 0.000 0.772 197 P CB 0.511 32.201 31.700 -0.015 0.000 0.855 198 T N -1.951 112.284 114.554 -0.530 0.000 3.043 198 T HA 0.543 4.892 4.350 -0.001 0.000 0.272 198 T C 0.310 174.823 174.700 -0.313 0.000 0.990 198 T CA -0.279 61.394 62.100 -0.712 0.000 0.897 198 T CB 0.143 68.799 68.868 -0.353 0.000 1.111 198 T HN 0.426 nan 8.240 nan 0.000 0.529 199 A N 0.902 123.691 122.820 -0.053 0.000 2.343 199 A HA 0.801 5.120 4.320 -0.001 0.000 0.316 199 A C -0.178 177.664 177.584 0.430 0.000 1.104 199 A CA -0.686 51.470 52.037 0.199 0.000 0.768 199 A CB 1.794 20.925 19.000 0.219 0.000 1.213 199 A HN 0.254 nan 8.150 nan 0.000 0.456 200 S N 2.273 118.227 115.700 0.425 0.000 2.549 200 S HA 0.667 5.136 4.470 -0.001 0.000 0.297 200 S C -1.081 173.702 174.600 0.305 0.000 1.115 200 S CA -0.431 57.958 58.200 0.316 0.000 1.059 200 S CB 0.736 63.952 63.200 0.026 0.000 1.046 200 S HN 0.805 nan 8.310 nan 0.000 0.506 201 W N 4.705 126.018 121.300 0.022 0.000 2.463 201 W HA 0.635 5.294 4.660 -0.001 0.000 0.316 201 W C -1.420 175.044 176.519 -0.091 0.000 1.004 201 W CA -0.856 56.455 57.345 -0.057 0.000 1.309 201 W CB 1.103 30.500 29.460 -0.104 0.000 1.288 201 W HN 0.781 nan 8.180 nan 0.000 0.423 202 A N 7.958 130.604 122.820 -0.290 0.000 2.893 202 A HA 0.272 4.591 4.320 -0.001 0.000 0.333 202 A C 0.370 177.695 177.584 -0.432 0.000 1.152 202 A CA -0.479 51.402 52.037 -0.259 0.000 0.782 202 A CB -0.354 18.622 19.000 -0.040 0.000 1.108 202 A HN 0.708 nan 8.150 nan 0.000 0.469 203 I N -2.624 117.496 120.570 -0.750 0.000 3.226 203 I HA 0.223 4.393 4.170 -0.001 0.000 0.277 203 I C 0.879 176.654 176.117 -0.571 0.000 1.243 203 I CA 1.065 61.893 61.300 -0.787 0.000 1.459 203 I CB 0.328 37.618 38.000 -1.183 0.000 1.093 203 I HN 0.343 nan 8.210 nan 0.000 0.453 204 D N 0.329 120.342 120.400 -0.646 0.000 2.489 204 D HA 0.242 4.881 4.640 -0.001 0.000 0.231 204 D C -2.196 173.631 176.300 -0.788 0.000 1.114 204 D CA -0.757 52.852 54.000 -0.651 0.000 0.842 204 D CB 0.097 40.425 40.800 -0.788 0.000 1.133 204 D HN 0.189 nan 8.370 nan 0.000 0.506 205 P HA 0.063 nan 4.420 nan 0.000 0.269 205 P C -0.550 176.267 177.300 -0.806 0.000 1.215 205 P CA 0.012 62.556 63.100 -0.926 0.000 0.780 205 P CB 0.215 31.557 31.700 -0.597 0.000 0.898 206 F N 1.957 121.669 119.950 -0.396 0.000 2.541 206 F HA 0.549 5.075 4.527 -0.001 0.000 0.351 206 F C 1.399 177.126 175.800 -0.121 0.000 1.209 206 F CA -0.607 57.112 58.000 -0.467 0.000 1.277 206 F CB -1.051 37.813 39.000 -0.228 0.000 1.632 206 F HN 0.501 nan 8.300 nan 0.000 0.619 207 G N 1.221 109.775 108.800 -0.410 0.000 2.629 207 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.686 207 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.686 207 G C -1.502 173.008 174.900 -0.649 0.000 1.232 207 G CA -1.170 43.773 45.100 -0.262 0.000 0.803 207 G HN 0.592 nan 8.290 nan 0.000 0.638 208 H N -0.510 118.236 119.070 -0.539 0.000 2.717 208 H HA 0.751 5.306 4.556 -0.001 0.000 0.366 208 H C -0.371 174.860 175.328 -0.161 0.000 1.132 208 H CA 0.012 55.949 56.048 -0.186 0.000 1.180 208 H CB 2.086 31.914 29.762 0.110 0.000 1.678 208 H HN 0.680 nan 8.280 nan 0.000 0.537 209 S N 2.235 118.082 115.700 0.245 0.000 2.501 209 S HA 0.262 4.731 4.470 -0.001 0.000 0.301 209 S C -1.812 172.812 174.600 0.041 0.000 1.096 209 S CA -1.804 56.550 58.200 0.257 0.000 1.063 209 S CB 1.349 64.731 63.200 0.303 0.000 1.042 209 S HN 0.447 nan 8.310 nan 0.000 0.494 210 P HA 0.021 nan 4.420 nan 0.000 0.234 210 P C 1.116 178.165 177.300 -0.419 0.000 1.167 210 P CA 0.712 63.426 63.100 -0.643 0.000 0.763 210 P CB -0.264 31.226 31.700 -0.351 0.000 0.835 211 T N -0.123 114.319 114.554 -0.187 0.000 2.803 211 T HA -0.113 4.236 4.350 -0.001 0.000 0.269 211 T C 1.825 176.474 174.700 -0.084 0.000 1.052 211 T CA 1.250 63.276 62.100 -0.122 0.000 1.136 211 T CB -0.399 68.432 68.868 -0.061 0.000 0.864 211 T HN -0.002 nan 8.240 nan 0.000 0.467 212 M N 0.870 120.378 119.600 -0.152 0.000 2.059 212 M HA -0.004 4.476 4.480 -0.001 0.000 0.259 212 M C -0.610 175.548 176.300 -0.237 0.000 1.072 212 M CA 1.270 56.478 55.300 -0.154 0.000 1.117 212 M CB -2.487 30.050 32.600 -0.107 0.000 1.320 212 M HN 0.138 nan 8.290 nan 0.000 0.408 213 P HA -0.192 nan 4.420 nan 0.000 0.220 213 P C 1.657 178.821 177.300 -0.226 0.000 1.148 213 P CA 1.372 64.268 63.100 -0.339 0.000 0.803 213 P CB -0.417 30.977 31.700 -0.510 0.000 0.782 214 Y N 1.151 121.257 120.300 -0.323 0.000 2.097 214 Y HA -0.214 4.335 4.550 -0.001 0.000 0.282 214 Y C 2.429 178.239 175.900 -0.149 0.000 1.152 214 Y CA 1.735 59.708 58.100 -0.211 0.000 1.136 214 Y CB -0.962 37.388 38.460 -0.182 0.000 0.975 214 Y HN -0.244 nan 8.280 nan 0.000 0.498 215 I N -0.394 120.212 120.570 0.060 0.000 2.202 215 I HA -0.321 3.848 4.170 -0.001 0.000 0.242 215 I C 2.310 178.361 176.117 -0.110 0.000 1.091 215 I CA 1.258 62.561 61.300 0.004 0.000 1.368 215 I CB -0.450 37.598 38.000 0.081 0.000 1.058 215 I HN 0.274 nan 8.210 nan 0.000 0.410 216 L N 0.070 121.172 121.223 -0.202 0.000 2.017 216 L HA -0.247 4.093 4.340 -0.001 0.000 0.208 216 L C 2.715 179.565 176.870 -0.033 0.000 1.073 216 L CA 1.326 55.975 54.840 -0.319 0.000 0.745 216 L CB -0.777 40.903 42.059 -0.632 0.000 0.894 216 L HN 0.356 nan 8.230 nan 0.000 0.432 217 Q N 1.092 120.839 119.800 -0.088 0.000 2.170 217 Q HA -0.214 4.125 4.340 -0.001 0.000 0.203 217 Q C 1.781 177.742 176.000 -0.064 0.000 0.976 217 Q CA 1.577 57.348 55.803 -0.053 0.000 0.858 217 Q CB 0.076 28.747 28.738 -0.112 0.000 0.907 217 Q HN 0.471 nan 8.270 nan 0.000 0.433 218 K N -0.515 119.809 120.400 -0.127 0.000 2.487 218 K HA 0.093 4.412 4.320 -0.001 0.000 0.192 218 K C 0.790 177.360 176.600 -0.049 0.000 1.027 218 K CA 0.213 56.423 56.287 -0.128 0.000 1.054 218 K CB 0.472 32.830 32.500 -0.237 0.000 0.824 218 K HN -0.063 nan 8.250 nan 0.000 0.510 219 S N -0.381 115.344 115.700 0.041 0.000 2.754 219 S HA 0.208 4.677 4.470 -0.001 0.000 0.247 219 S C 0.783 175.484 174.600 0.169 0.000 1.031 219 S CA 0.138 58.407 58.200 0.115 0.000 1.014 219 S CB 1.306 64.616 63.200 0.184 0.000 0.918 219 S HN 0.525 nan 8.310 nan 0.000 0.519 220 G N 1.196 110.052 108.800 0.093 0.000 2.195 220 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.246 220 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.246 220 G C -0.006 174.870 174.900 -0.040 0.000 0.984 220 G CA -0.531 44.564 45.100 -0.009 0.000 0.633 220 G HN 0.423 nan 8.290 nan 0.000 0.525 221 F N 0.636 120.544 119.950 -0.070 0.000 2.496 221 F HA 0.549 5.075 4.527 -0.001 0.000 0.344 221 F C 1.635 177.372 175.800 -0.105 0.000 1.155 221 F CA 0.185 58.138 58.000 -0.079 0.000 1.302 221 F CB 0.837 39.793 39.000 -0.073 0.000 1.159 221 F HN -0.181 nan 8.300 nan 0.000 0.595 222 K N 0.705 121.117 120.400 0.020 0.000 2.425 222 K HA 0.251 4.570 4.320 -0.001 0.000 0.201 222 K C -0.335 176.197 176.600 -0.114 0.000 1.128 222 K CA 0.284 56.524 56.287 -0.078 0.000 1.000 222 K CB 0.300 32.705 32.500 -0.158 0.000 0.961 222 K HN 0.530 nan 8.250 nan 0.000 0.555 223 N N 0.645 119.260 118.700 -0.141 0.000 2.484 223 N HA 0.390 5.130 4.740 -0.001 0.000 0.269 223 N C -0.989 174.352 175.510 -0.281 0.000 1.237 223 N CA -0.403 52.403 53.050 -0.406 0.000 0.838 223 N CB 2.500 40.208 38.487 -1.297 0.000 1.593 223 N HN -0.080 nan 8.380 nan 0.000 0.485 224 M N -0.378 119.068 119.600 -0.257 0.000 2.569 224 M HA 0.621 5.100 4.480 -0.001 0.000 0.279 224 M C -1.988 174.366 176.300 0.090 0.000 1.253 224 M CA -0.932 54.351 55.300 -0.029 0.000 0.867 224 M CB 2.894 35.472 32.600 -0.037 0.000 1.727 224 M HN 0.467 nan 8.290 nan 0.000 0.467 225 L N 3.693 124.992 121.223 0.126 0.000 2.386 225 L HA 0.883 5.222 4.340 -0.001 0.000 0.271 225 L C -1.450 175.304 176.870 -0.194 0.000 0.993 225 L CA -0.753 54.121 54.840 0.056 0.000 0.819 225 L CB 2.022 44.161 42.059 0.134 0.000 1.294 225 L HN 0.952 nan 8.230 nan 0.000 0.414 226 I N 0.927 121.300 120.570 -0.328 0.000 3.042 226 I HA 0.618 4.787 4.170 -0.001 0.000 0.310 226 I C -0.744 175.084 176.117 -0.481 0.000 1.117 226 I CA -0.555 60.374 61.300 -0.619 0.000 1.003 226 I CB 2.253 39.600 38.000 -1.088 0.000 1.228 226 I HN 0.726 nan 8.210 nan 0.000 0.443 227 Q N 1.851 121.426 119.800 -0.376 0.000 2.546 227 Q HA 0.337 4.676 4.340 -0.001 0.000 0.226 227 Q C -0.021 175.882 176.000 -0.160 0.000 0.769 227 Q CA 0.401 56.062 55.803 -0.237 0.000 0.954 227 Q CB 0.633 29.217 28.738 -0.256 0.000 1.319 227 Q HN 0.661 nan 8.270 nan 0.000 0.534 228 R N 2.033 122.461 120.500 -0.121 0.000 2.593 228 R HA 0.356 4.695 4.340 -0.001 0.000 0.282 228 R C -0.713 175.375 176.300 -0.354 0.000 1.300 228 R CA 0.547 56.324 56.100 -0.538 0.000 1.221 228 R CB 0.314 29.931 30.300 -1.138 0.000 1.157 228 R HN 0.391 nan 8.270 nan 0.000 0.555 229 T N -2.452 112.111 114.554 0.015 0.000 2.924 229 T HA 0.148 4.497 4.350 -0.001 0.000 0.291 229 T C -0.012 174.950 174.700 0.435 0.000 1.045 229 T CA -0.882 61.343 62.100 0.210 0.000 1.015 229 T CB 1.794 70.616 68.868 -0.076 0.000 1.103 229 T HN 0.409 nan 8.240 nan 0.000 0.496 230 H N 1.913 121.193 119.070 0.350 0.000 3.064 230 H HA -0.026 4.529 4.556 -0.001 0.000 0.329 230 H C 1.048 176.423 175.328 0.077 0.000 1.020 230 H CA 0.469 56.614 56.048 0.162 0.000 1.402 230 H CB 0.373 30.268 29.762 0.221 0.000 1.379 230 H HN 0.926 nan 8.280 nan 0.000 0.594 231 Y N 2.378 122.750 120.300 0.119 0.000 2.256 231 Y HA -0.184 4.366 4.550 -0.001 0.000 0.288 231 Y C 2.205 178.264 175.900 0.265 0.000 1.155 231 Y CA 0.991 59.203 58.100 0.187 0.000 1.203 231 Y CB -0.703 37.806 38.460 0.082 0.000 0.980 231 Y HN 0.304 nan 8.280 nan 0.000 0.530 232 S N 0.398 116.114 115.700 0.026 0.000 2.383 232 S HA -0.133 4.336 4.470 -0.001 0.000 0.227 232 S C 2.090 176.615 174.600 -0.124 0.000 1.026 232 S CA 1.258 59.387 58.200 -0.119 0.000 0.981 232 S CB -0.601 62.312 63.200 -0.479 0.000 0.818 232 S HN 0.379 nan 8.310 nan 0.000 0.472 233 V N 1.951 121.863 119.914 -0.003 0.000 2.307 233 V HA -0.169 3.951 4.120 -0.001 0.000 0.245 233 V C 2.245 178.382 176.094 0.071 0.000 1.045 233 V CA 1.566 63.890 62.300 0.041 0.000 1.024 233 V CB -0.531 31.425 31.823 0.223 0.000 0.651 233 V HN 0.411 nan 8.190 nan 0.000 0.449 234 K N 0.217 120.699 120.400 0.137 0.000 2.044 234 K HA -0.277 4.042 4.320 -0.001 0.000 0.210 234 K C 2.276 179.009 176.600 0.222 0.000 1.049 234 K CA 2.039 58.425 56.287 0.166 0.000 0.927 234 K CB -0.273 32.383 32.500 0.260 0.000 0.713 234 K HN 0.361 nan 8.250 nan 0.000 0.443 235 K N 1.176 121.704 120.400 0.213 0.000 2.026 235 K HA -0.234 4.085 4.320 -0.001 0.000 0.208 235 K C 2.154 178.843 176.600 0.149 0.000 1.048 235 K CA 1.757 58.176 56.287 0.219 0.000 0.929 235 K CB 0.020 32.574 32.500 0.090 0.000 0.713 235 K HN -0.013 nan 8.250 nan 0.000 0.439 236 E N 0.869 121.078 120.200 0.016 0.000 2.058 236 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 236 E C 1.948 178.540 176.600 -0.012 0.000 0.997 236 E CA 1.496 57.864 56.400 -0.053 0.000 0.801 236 E CB -0.180 29.442 29.700 -0.130 0.000 0.746 236 E HN 0.347 nan 8.360 nan 0.000 0.450 237 L N -0.269 120.961 121.223 0.011 0.000 2.093 237 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 237 L C 2.512 179.406 176.870 0.039 0.000 1.085 237 L CA 0.899 55.741 54.840 0.003 0.000 0.755 237 L CB -0.594 41.455 42.059 -0.018 0.000 0.904 237 L HN 0.217 nan 8.230 nan 0.000 0.435 238 A N -0.263 122.633 122.820 0.126 0.000 1.908 238 A HA -0.264 4.055 4.320 -0.001 0.000 0.218 238 A C 2.210 179.975 177.584 0.302 0.000 1.181 238 A CA 1.590 53.757 52.037 0.217 0.000 0.627 238 A CB -0.482 18.800 19.000 0.469 0.000 0.818 238 A HN 0.468 nan 8.150 nan 0.000 0.445 239 Q N -1.088 118.844 119.800 0.220 0.000 2.170 239 Q HA -0.148 4.191 4.340 -0.001 0.000 0.203 239 Q C 1.398 177.392 176.000 -0.009 0.000 0.976 239 Q CA 1.250 57.032 55.803 -0.034 0.000 0.858 239 Q CB -0.024 28.550 28.738 -0.273 0.000 0.907 239 Q HN 0.600 nan 8.270 nan 0.000 0.433 240 Q N -0.194 119.611 119.800 0.008 0.000 2.247 240 Q HA 0.129 4.469 4.340 -0.001 0.000 0.204 240 Q C -0.420 175.597 176.000 0.028 0.000 0.872 240 Q CA -0.012 55.792 55.803 0.002 0.000 0.951 240 Q CB 0.673 29.401 28.738 -0.016 0.000 1.099 240 Q HN 0.282 nan 8.270 nan 0.000 0.501 241 R N 0.768 121.290 120.500 0.036 0.000 3.322 241 R HA -0.211 4.128 4.340 -0.001 0.000 0.253 241 R C -0.118 176.211 176.300 0.049 0.000 0.987 241 R CA 0.476 56.584 56.100 0.015 0.000 0.666 241 R CB -1.936 28.399 30.300 0.057 0.000 1.072 241 R HN 0.391 nan 8.270 nan 0.000 0.447 242 Q N 0.052 119.872 119.800 0.034 0.000 2.186 242 Q HA 0.199 4.539 4.340 -0.001 0.000 0.241 242 Q C 1.254 177.341 176.000 0.145 0.000 0.849 242 Q CA -0.238 55.624 55.803 0.098 0.000 1.053 242 Q CB 0.539 29.302 28.738 0.041 0.000 1.146 242 Q HN 0.439 nan 8.270 nan 0.000 0.475 243 L N 0.157 121.391 121.223 0.017 0.000 2.395 243 L HA 0.024 4.363 4.340 -0.001 0.000 0.218 243 L C 0.305 177.158 176.870 -0.027 0.000 1.130 243 L CA 1.000 55.818 54.840 -0.037 0.000 0.826 243 L CB 0.278 42.113 42.059 -0.373 0.000 0.941 243 L HN 0.187 nan 8.230 nan 0.000 0.451 244 E N 0.160 120.389 120.200 0.048 0.000 2.176 244 E HA 0.512 4.861 4.350 -0.001 0.000 0.267 244 E C -1.207 175.306 176.600 -0.145 0.000 0.893 244 E CA -0.521 55.709 56.400 -0.284 0.000 0.761 244 E CB 1.533 31.198 29.700 -0.059 0.000 1.133 244 E HN -0.001 nan 8.360 nan 0.000 0.409 245 F N -0.224 119.482 119.950 -0.405 0.000 2.686 245 F HA 0.506 5.033 4.527 -0.001 0.000 0.311 245 F C -1.496 174.200 175.800 -0.173 0.000 1.128 245 F CA -1.421 56.484 58.000 -0.158 0.000 0.946 245 F CB 0.828 39.766 39.000 -0.104 0.000 1.336 245 F HN 0.158 nan 8.300 nan 0.000 0.457 246 L N 2.555 123.949 121.223 0.286 0.000 2.259 246 L HA 0.203 4.542 4.340 -0.001 0.000 0.288 246 L C -1.180 175.924 176.870 0.389 0.000 1.051 246 L CA -0.264 54.732 54.840 0.260 0.000 0.824 246 L CB 0.621 42.835 42.059 0.258 0.000 1.206 246 L HN 0.585 nan 8.230 nan 0.000 0.429 247 W N 6.797 128.208 121.300 0.185 0.000 2.342 247 W HA 0.347 5.006 4.660 -0.001 0.000 0.310 247 W C 0.168 176.713 176.519 0.044 0.000 1.128 247 W CA -1.296 56.175 57.345 0.209 0.000 1.322 247 W CB 0.519 30.143 29.460 0.273 0.000 1.251 247 W HN 0.507 nan 8.180 nan 0.000 0.439 248 R N 3.736 124.423 120.500 0.311 0.000 2.758 248 R HA 0.525 4.865 4.340 -0.001 0.000 0.265 248 R C -0.029 176.189 176.300 -0.137 0.000 1.016 248 R CA -0.899 55.205 56.100 0.008 0.000 1.040 248 R CB 1.089 31.369 30.300 -0.034 0.000 1.152 248 R HN 0.238 nan 8.270 nan 0.000 0.503 249 Q N 1.447 121.005 119.800 -0.404 0.000 2.421 249 Q HA 0.039 4.379 4.340 -0.001 0.000 0.255 249 Q C 1.471 177.087 176.000 -0.641 0.000 1.013 249 Q CA 0.142 55.505 55.803 -0.733 0.000 0.895 249 Q CB 0.706 28.559 28.738 -1.474 0.000 1.271 249 Q HN 0.847 nan 8.270 nan 0.000 0.460 250 I N -2.129 118.176 120.570 -0.441 0.000 2.567 250 I HA -0.153 4.016 4.170 -0.001 0.000 0.257 250 I C 1.223 177.306 176.117 -0.057 0.000 1.184 250 I CA 1.266 62.476 61.300 -0.149 0.000 1.451 250 I CB -0.363 37.643 38.000 0.010 0.000 1.089 250 I HN 0.666 nan 8.210 nan 0.000 0.441 251 W N 1.108 122.464 121.300 0.093 0.000 3.220 251 W HA 0.389 5.048 4.660 -0.001 0.000 0.328 251 W C 0.184 176.780 176.519 0.128 0.000 1.205 251 W CA -0.740 56.718 57.345 0.188 0.000 1.773 251 W CB -0.634 29.031 29.460 0.341 0.000 1.086 251 W HN -0.083 nan 8.180 nan 0.000 0.622 252 D N 1.937 122.150 120.400 -0.313 0.000 2.393 252 D HA -0.021 4.618 4.640 -0.001 0.000 0.232 252 D C 0.892 177.174 176.300 -0.030 0.000 1.192 252 D CA 0.151 54.046 54.000 -0.176 0.000 0.882 252 D CB 0.503 41.090 40.800 -0.356 0.000 1.038 252 D HN 0.065 nan 8.370 nan 0.000 0.499 253 N N 3.734 122.472 118.700 0.065 0.000 2.300 253 N HA -0.102 4.637 4.740 -0.001 0.000 0.179 253 N C 1.370 176.900 175.510 0.034 0.000 1.016 253 N CA 1.016 54.097 53.050 0.052 0.000 0.876 253 N CB 0.165 38.703 38.487 0.086 0.000 0.979 253 N HN 0.364 nan 8.380 nan 0.000 0.432 254 K N -1.295 119.127 120.400 0.037 0.000 2.166 254 K HA 0.119 4.439 4.320 -0.001 0.000 0.201 254 K C 0.527 177.140 176.600 0.021 0.000 1.052 254 K CA 0.911 57.217 56.287 0.032 0.000 0.969 254 K CB 0.123 32.647 32.500 0.039 0.000 0.761 254 K HN 0.216 nan 8.250 nan 0.000 0.459 255 G N 1.127 109.930 108.800 0.006 0.000 2.148 255 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.203 255 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.203 255 G C 0.164 175.063 174.900 -0.002 0.000 0.993 255 G CA 0.331 45.432 45.100 0.002 0.000 0.661 255 G HN 0.348 nan 8.290 nan 0.000 0.518 256 D N 0.566 120.964 120.400 -0.004 0.000 2.263 256 D HA -0.040 4.599 4.640 -0.001 0.000 0.208 256 D C 2.578 178.858 176.300 -0.034 0.000 0.971 256 D CA 1.830 55.826 54.000 -0.007 0.000 0.867 256 D CB -0.130 40.675 40.800 0.007 0.000 0.929 256 D HN 0.684 nan 8.370 nan 0.000 0.492 257 T N -2.261 112.258 114.554 -0.058 0.000 3.107 257 T HA 0.366 4.715 4.350 -0.001 0.000 0.249 257 T C 0.889 175.538 174.700 -0.084 0.000 1.096 257 T CA -0.173 61.867 62.100 -0.100 0.000 1.012 257 T CB 0.110 68.886 68.868 -0.153 0.000 0.977 257 T HN 0.044 nan 8.240 nan 0.000 0.527 258 A N 1.464 124.265 122.820 -0.031 0.000 2.511 258 A HA 0.579 4.898 4.320 -0.001 0.000 0.242 258 A C -0.301 177.300 177.584 0.028 0.000 1.069 258 A CA -0.386 51.666 52.037 0.026 0.000 0.763 258 A CB -0.061 18.984 19.000 0.075 0.000 1.001 258 A HN 0.547 nan 8.150 nan 0.000 0.498 259 L N 2.700 123.959 121.223 0.060 0.000 2.381 259 L HA 0.573 4.912 4.340 -0.001 0.000 0.274 259 L C -0.643 176.283 176.870 0.093 0.000 0.988 259 L CA -0.564 54.307 54.840 0.051 0.000 0.824 259 L CB 1.422 43.473 42.059 -0.014 0.000 1.263 259 L HN 0.654 nan 8.230 nan 0.000 0.410 260 F N 3.842 123.749 119.950 -0.071 0.000 2.578 260 F HA 0.381 4.907 4.527 -0.002 0.000 0.381 260 F C 0.021 175.703 175.800 -0.196 0.000 1.069 260 F CA 0.686 58.612 58.000 -0.123 0.000 1.231 260 F CB 0.424 39.367 39.000 -0.095 0.000 1.086 260 F HN 0.549 nan 8.300 nan 0.000 0.564 261 T N 5.487 119.453 114.554 -0.980 0.000 2.848 261 T HA 0.202 4.551 4.350 -0.001 0.000 0.285 261 T C -1.551 172.524 174.700 -1.042 0.000 0.995 261 T CA -0.468 61.145 62.100 -0.812 0.000 0.970 261 T CB 0.852 69.267 68.868 -0.755 0.000 0.976 261 T HN 0.619 nan 8.240 nan 0.000 0.441 262 H N 2.912 121.680 119.070 -0.504 0.000 2.504 262 H HA 0.630 5.185 4.556 -0.001 0.000 0.322 262 H C -0.410 174.732 175.328 -0.309 0.000 1.055 262 H CA -0.784 55.078 56.048 -0.310 0.000 1.231 262 H CB 0.774 30.574 29.762 0.063 0.000 1.417 262 H HN 0.477 nan 8.280 nan 0.000 0.472 263 M N 6.902 126.198 119.600 -0.506 0.000 2.157 263 M HA 0.306 4.785 4.480 -0.001 0.000 0.354 263 M C -0.971 175.106 176.300 -0.373 0.000 1.170 263 M CA -0.651 54.424 55.300 -0.374 0.000 1.060 263 M CB 0.758 33.188 32.600 -0.284 0.000 1.615 263 M HN 0.695 nan 8.290 nan 0.000 0.460 264 M N 6.887 126.358 119.600 -0.215 0.000 2.243 264 M HA 0.218 4.697 4.480 -0.001 0.000 0.341 264 M C -1.654 174.515 176.300 -0.218 0.000 1.130 264 M CA -1.305 53.906 55.300 -0.150 0.000 1.162 264 M CB 0.227 32.757 32.600 -0.117 0.000 1.497 264 M HN 0.458 nan 8.290 nan 0.000 0.456 265 P HA 0.152 nan 4.420 nan 0.000 0.252 265 P C -0.450 176.643 177.300 -0.344 0.000 1.218 265 P CA 0.773 63.563 63.100 -0.516 0.000 0.807 265 P CB 0.357 31.431 31.700 -1.044 0.000 1.072 266 F N -1.847 118.106 119.950 0.005 0.000 2.611 266 F HA 0.304 4.830 4.527 -0.001 0.000 0.374 266 F C 1.973 177.861 175.800 0.145 0.000 1.110 266 F CA -1.482 56.554 58.000 0.059 0.000 1.090 266 F CB -0.766 38.203 39.000 -0.052 0.000 1.388 266 F HN -0.318 nan 8.300 nan 0.000 0.501 267 Y N 0.049 120.503 120.300 0.257 0.000 2.352 267 Y HA 0.090 4.639 4.550 -0.001 0.000 0.292 267 Y C 0.958 176.783 175.900 -0.125 0.000 1.136 267 Y CA 1.480 59.586 58.100 0.010 0.000 1.227 267 Y CB 0.068 38.429 38.460 -0.165 0.000 0.991 267 Y HN 0.367 nan 8.280 nan 0.000 0.545 268 S N -1.972 113.599 115.700 -0.214 0.000 2.685 268 S HA 0.257 4.726 4.470 -0.001 0.000 0.282 268 S C -0.418 174.117 174.600 -0.109 0.000 1.159 268 S CA -0.356 57.621 58.200 -0.373 0.000 0.833 268 S CB 0.282 63.199 63.200 -0.471 0.000 1.151 268 S HN 0.281 nan 8.310 nan 0.000 0.485 269 Y N 0.705 120.971 120.300 -0.057 0.000 2.466 269 Y HA 0.342 4.891 4.550 -0.001 0.000 0.272 269 Y C 0.392 176.387 175.900 0.158 0.000 1.169 269 Y CA -0.644 57.452 58.100 -0.006 0.000 1.285 269 Y CB -0.867 37.498 38.460 -0.159 0.000 1.078 269 Y HN 0.505 nan 8.280 nan 0.000 0.523 270 D N 0.527 120.943 120.400 0.028 0.000 2.377 270 D HA 0.023 4.662 4.640 -0.001 0.000 0.245 270 D C 1.207 177.634 176.300 0.213 0.000 1.196 270 D CA -0.526 53.574 54.000 0.167 0.000 0.962 270 D CB 0.897 41.755 40.800 0.095 0.000 1.127 270 D HN 0.244 nan 8.370 nan 0.000 0.471 271 I N -0.276 120.394 120.570 0.167 0.000 2.226 271 I HA -0.148 4.021 4.170 -0.001 0.000 0.245 271 I C -0.752 175.394 176.117 0.049 0.000 1.100 271 I CA 0.816 62.198 61.300 0.136 0.000 1.374 271 I CB -1.185 36.882 38.000 0.112 0.000 1.057 271 I HN 0.334 nan 8.210 nan 0.000 0.413 272 P HA -0.158 nan 4.420 nan 0.000 0.221 272 P C 0.579 177.553 177.300 -0.544 0.000 1.145 272 P CA 1.626 64.525 63.100 -0.336 0.000 0.795 272 P CB -0.126 31.346 31.700 -0.379 0.000 0.775 273 H N -3.067 115.992 119.070 -0.018 0.000 2.486 273 H HA 0.212 4.767 4.556 -0.001 0.000 0.284 273 H C 1.014 176.441 175.328 0.164 0.000 1.103 273 H CA 0.585 56.640 56.048 0.012 0.000 1.089 273 H CB -0.143 29.696 29.762 0.129 0.000 1.603 273 H HN 0.111 nan 8.280 nan 0.000 0.557 274 T N -4.149 110.521 114.554 0.194 0.000 2.958 274 T HA -0.043 4.306 4.350 -0.001 0.000 0.256 274 T C 1.880 176.708 174.700 0.214 0.000 0.983 274 T CA 0.388 62.633 62.100 0.241 0.000 0.924 274 T CB -0.666 68.335 68.868 0.221 0.000 1.136 274 T HN 0.503 nan 8.240 nan 0.000 0.506 275 c N 1.843 120.538 118.600 0.158 0.000 2.468 275 c HA 0.676 5.245 4.570 -0.001 0.000 0.277 275 c C 1.367 175.583 174.090 0.209 0.000 1.400 275 c CA 0.364 56.828 56.329 0.225 0.000 1.770 275 c CB -1.314 41.288 42.510 0.154 0.000 1.905 275 c HN 0.911 nan 8.230 nan 0.000 0.519 276 G N -0.441 108.402 108.800 0.071 0.000 2.324 276 G HA2 0.352 4.312 3.960 -0.001 0.000 0.293 276 G HA3 0.352 4.312 3.960 -0.001 0.000 0.293 276 G C -2.726 171.759 174.900 -0.692 0.000 1.297 276 G CA 0.211 45.278 45.100 -0.054 0.000 0.853 276 G HN -0.091 nan 8.290 nan 0.000 0.535 277 P HA 0.103 nan 4.420 nan 0.000 0.229 277 P C -0.104 176.774 177.300 -0.704 0.000 1.160 277 P CA 1.013 63.405 63.100 -1.180 0.000 0.777 277 P CB 0.383 31.733 31.700 -0.582 0.000 0.814 278 D N 0.947 121.051 120.400 -0.493 0.000 2.454 278 D HA 0.143 4.783 4.640 -0.001 0.000 0.225 278 D C -1.502 174.461 176.300 -0.562 0.000 1.081 278 D CA -2.592 51.165 54.000 -0.406 0.000 0.864 278 D CB 1.305 41.951 40.800 -0.257 0.000 1.040 278 D HN -0.004 nan 8.370 nan 0.000 0.517 279 P HA -0.135 nan 4.420 nan 0.000 0.221 279 P C 1.250 177.731 177.300 -1.365 0.000 1.150 279 P CA 0.662 63.018 63.100 -1.240 0.000 0.800 279 P CB 0.478 31.140 31.700 -1.730 0.000 0.787 280 K N 0.300 120.026 120.400 -1.123 0.000 2.152 280 K HA -0.082 4.237 4.320 -0.001 0.000 0.206 280 K C 1.745 178.159 176.600 -0.311 0.000 1.048 280 K CA 1.164 57.108 56.287 -0.572 0.000 0.933 280 K CB -0.236 32.118 32.500 -0.243 0.000 0.721 280 K HN -0.057 nan 8.250 nan 0.000 0.447 281 V N 0.089 119.827 119.914 -0.293 0.000 2.379 281 V HA -0.215 3.905 4.120 -0.001 0.000 0.243 281 V C 2.367 178.425 176.094 -0.059 0.000 1.035 281 V CA 1.284 63.506 62.300 -0.129 0.000 1.035 281 V CB -0.229 31.535 31.823 -0.099 0.000 0.673 281 V HN 0.470 nan 8.190 nan 0.000 0.457 282 c N -0.715 117.773 118.600 -0.187 0.000 2.425 282 c HA -0.190 4.379 4.570 -0.001 0.000 0.277 282 c C 2.990 177.036 174.090 -0.074 0.000 1.280 282 c CA 0.828 57.110 56.329 -0.078 0.000 1.744 282 c CB -1.387 40.994 42.510 -0.216 0.000 1.989 282 c HN 0.755 nan 8.230 nan 0.000 0.491 283 c N 0.827 119.287 118.600 -0.233 0.000 2.411 283 c HA -0.158 4.412 4.570 -0.001 0.000 0.279 283 c C 2.635 176.598 174.090 -0.213 0.000 1.288 283 c CA 1.272 57.511 56.329 -0.150 0.000 1.764 283 c CB -1.472 41.015 42.510 -0.039 0.000 1.974 283 c HN 0.637 nan 8.230 nan 0.000 0.498 284 Q N -1.337 118.278 119.800 -0.308 0.000 2.500 284 Q HA -0.054 4.285 4.340 -0.001 0.000 0.213 284 Q C 0.747 176.048 176.000 -1.165 0.000 0.974 284 Q CA 1.096 56.529 55.803 -0.615 0.000 0.918 284 Q CB -0.052 28.306 28.738 -0.634 0.000 0.980 284 Q HN 0.747 nan 8.270 nan 0.000 0.505 285 F N -0.318 119.331 119.950 -0.501 0.000 2.668 285 F HA 0.169 4.695 4.527 -0.001 0.000 0.301 285 F C 0.204 175.710 175.800 -0.489 0.000 1.106 285 F CA -0.581 57.028 58.000 -0.651 0.000 1.289 285 F CB 0.740 39.595 39.000 -0.241 0.000 1.006 285 F HN -0.151 nan 8.300 nan 0.000 0.535 286 D N 0.008 120.171 120.400 -0.395 0.000 2.467 286 D HA 0.139 4.779 4.640 -0.001 0.000 0.220 286 D C 0.409 176.521 176.300 -0.313 0.000 1.103 286 D CA -0.350 53.531 54.000 -0.199 0.000 0.886 286 D CB 0.174 40.923 40.800 -0.085 0.000 1.025 286 D HN 0.057 nan 8.370 nan 0.000 0.514 287 F N 1.884 121.846 119.950 0.021 0.000 2.802 287 F HA 0.124 4.650 4.527 -0.001 0.000 0.300 287 F C 2.294 178.070 175.800 -0.039 0.000 1.168 287 F CA 0.273 58.266 58.000 -0.011 0.000 1.433 287 F CB 0.078 39.092 39.000 0.023 0.000 1.115 287 F HN 0.270 nan 8.300 nan 0.000 0.582 288 K N 0.443 120.815 120.400 -0.047 0.000 2.487 288 K HA 0.064 4.383 4.320 -0.001 0.000 0.192 288 K C 1.248 177.863 176.600 0.024 0.000 1.027 288 K CA 0.305 56.465 56.287 -0.212 0.000 1.054 288 K CB 0.141 32.358 32.500 -0.471 0.000 0.824 288 K HN 0.179 nan 8.250 nan 0.000 0.510 289 R N -0.148 120.366 120.500 0.024 0.000 2.552 289 R HA 0.218 4.557 4.340 -0.001 0.000 0.314 289 R C 1.012 177.342 176.300 0.050 0.000 1.041 289 R CA -0.164 55.957 56.100 0.035 0.000 1.076 289 R CB 0.311 30.603 30.300 -0.014 0.000 1.290 289 R HN 0.180 nan 8.270 nan 0.000 0.563 290 M N -1.168 118.495 119.600 0.105 0.000 2.541 290 M HA 0.145 4.625 4.480 -0.001 0.000 0.252 290 M C 1.178 177.513 176.300 0.059 0.000 1.125 290 M CA 0.998 56.343 55.300 0.075 0.000 1.091 290 M CB 0.822 33.482 32.600 0.099 0.000 1.420 290 M HN 0.472 nan 8.290 nan 0.000 0.486 291 G N -0.189 108.661 108.800 0.083 0.000 3.288 291 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.195 291 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.195 291 G C 0.959 175.858 174.900 -0.003 0.000 1.093 291 G CA 0.234 45.354 45.100 0.034 0.000 0.852 291 G HN 0.410 nan 8.290 nan 0.000 0.453 292 S N 0.104 115.757 115.700 -0.078 0.000 2.555 292 S HA 0.267 4.736 4.470 -0.001 0.000 0.230 292 S C 1.448 175.813 174.600 -0.392 0.000 0.978 292 S CA 1.257 59.291 58.200 -0.276 0.000 0.934 292 S CB -0.419 62.530 63.200 -0.418 0.000 0.766 292 S HN 0.358 nan 8.310 nan 0.000 0.533 293 F N 1.422 121.368 119.950 -0.008 0.000 2.639 293 F HA 0.482 5.009 4.527 -0.001 0.000 0.302 293 F C 1.792 177.588 175.800 -0.007 0.000 1.097 293 F CA -0.249 57.745 58.000 -0.010 0.000 1.294 293 F CB 0.164 39.154 39.000 -0.016 0.000 1.027 293 F HN 0.306 nan 8.300 nan 0.000 0.550 294 G N 1.013 109.885 108.800 0.120 0.000 2.175 294 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.265 294 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.265 294 G C 0.086 175.034 174.900 0.080 0.000 0.979 294 G CA 0.289 45.433 45.100 0.074 0.000 0.663 294 G HN 0.324 nan 8.290 nan 0.000 0.533 295 L N 0.271 121.560 121.223 0.109 0.000 2.322 295 L HA 0.841 5.180 4.340 -0.001 0.000 0.269 295 L C 0.644 177.550 176.870 0.060 0.000 1.012 295 L CA -0.305 54.581 54.840 0.077 0.000 0.815 295 L CB 2.118 44.220 42.059 0.072 0.000 1.295 295 L HN 0.418 nan 8.230 nan 0.000 0.438 296 S N -0.797 114.926 115.700 0.039 0.000 2.776 296 S HA 0.525 4.994 4.470 -0.001 0.000 0.292 296 S C -1.246 173.373 174.600 0.032 0.000 1.187 296 S CA -0.808 57.408 58.200 0.026 0.000 0.834 296 S CB 1.581 64.785 63.200 0.008 0.000 1.199 296 S HN 0.529 nan 8.310 nan 0.000 0.514 297 c N 2.900 121.522 118.600 0.037 0.000 2.255 297 c HA 0.587 5.157 4.570 -0.001 0.000 0.326 297 c C -1.241 172.858 174.090 0.014 0.000 1.258 297 c CA -1.192 55.202 56.329 0.107 0.000 1.676 297 c CB 0.937 43.537 42.510 0.150 0.000 2.314 297 c HN 0.755 nan 8.230 nan 0.000 0.509 298 P HA -0.056 nan 4.420 nan 0.000 0.230 298 P C 1.044 178.081 177.300 -0.440 0.000 1.158 298 P CA 1.113 63.967 63.100 -0.410 0.000 0.769 298 P CB 0.088 31.375 31.700 -0.689 0.000 0.807 299 W N 0.686 121.960 121.300 -0.044 0.000 3.256 299 W HA 0.180 4.839 4.660 -0.001 0.000 0.269 299 W C 0.698 177.187 176.519 -0.050 0.000 1.310 299 W CA 0.069 57.383 57.345 -0.050 0.000 1.673 299 W CB -0.348 29.073 29.460 -0.066 0.000 1.115 299 W HN 0.145 nan 8.180 nan 0.000 0.686 300 K N -1.472 118.988 120.400 0.101 0.000 3.533 300 K HA -0.165 4.155 4.320 -0.001 0.000 0.289 300 K C -0.268 176.351 176.600 0.033 0.000 1.317 300 K CA 0.573 56.883 56.287 0.038 0.000 0.967 300 K CB -1.949 30.561 32.500 0.017 0.000 1.323 300 K HN -0.113 nan 8.250 nan 0.000 0.477 301 V N 2.771 122.716 119.914 0.050 0.000 2.334 301 V HA 0.296 4.416 4.120 -0.001 0.000 0.281 301 V C -1.794 174.281 176.094 -0.033 0.000 1.016 301 V CA -1.510 60.789 62.300 -0.002 0.000 0.832 301 V CB 1.169 32.982 31.823 -0.017 0.000 0.999 301 V HN -0.021 nan 8.190 nan 0.000 0.439 302 P HA 0.385 nan 4.420 nan 0.000 0.276 302 P C -2.827 174.383 177.300 -0.151 0.000 1.252 302 P CA -1.998 61.059 63.100 -0.071 0.000 0.802 302 P CB 0.322 31.996 31.700 -0.044 0.000 1.035 303 P HA 0.242 nan 4.420 nan 0.000 0.272 303 P C -0.284 176.924 177.300 -0.153 0.000 1.223 303 P CA 0.150 63.051 63.100 -0.331 0.000 0.784 303 P CB 0.541 31.976 31.700 -0.442 0.000 0.923 304 R N 0.643 121.062 120.500 -0.135 0.000 2.562 304 R HA 0.416 4.755 4.340 -0.001 0.000 0.298 304 R C -0.200 176.160 176.300 0.100 0.000 0.961 304 R CA -0.695 55.393 56.100 -0.019 0.000 0.881 304 R CB 1.097 31.363 30.300 -0.057 0.000 1.159 304 R HN 0.362 nan 8.270 nan 0.000 0.450 305 T N 3.881 118.482 114.554 0.079 0.000 2.933 305 T HA 0.005 4.354 4.350 -0.001 0.000 0.306 305 T C 0.771 175.454 174.700 -0.029 0.000 1.045 305 T CA 0.186 62.298 62.100 0.020 0.000 1.143 305 T CB 0.127 68.988 68.868 -0.011 0.000 1.003 305 T HN 0.211 nan 8.240 nan 0.000 0.540 306 I N 4.109 124.611 120.570 -0.112 0.000 2.471 306 I HA 0.278 4.448 4.170 -0.001 0.000 0.286 306 I C 0.970 177.031 176.117 -0.093 0.000 1.079 306 I CA 0.044 61.279 61.300 -0.108 0.000 1.398 306 I CB 0.017 37.912 38.000 -0.175 0.000 1.403 306 I HN 0.787 nan 8.210 nan 0.000 0.530 307 S N 3.710 119.369 115.700 -0.068 0.000 2.720 307 S HA 0.438 4.907 4.470 -0.001 0.000 0.287 307 S C 0.300 174.869 174.600 -0.052 0.000 1.168 307 S CA -0.737 57.432 58.200 -0.052 0.000 0.832 307 S CB 1.971 65.148 63.200 -0.038 0.000 1.166 307 S HN 0.475 nan 8.310 nan 0.000 0.493 308 D N 0.720 121.100 120.400 -0.034 0.000 2.218 308 D HA -0.051 4.589 4.640 -0.001 0.000 0.204 308 D C 1.705 177.983 176.300 -0.037 0.000 0.976 308 D CA 1.318 55.300 54.000 -0.029 0.000 0.853 308 D CB -0.236 40.561 40.800 -0.006 0.000 0.939 308 D HN 0.610 nan 8.370 nan 0.000 0.481 309 Q N -0.144 119.637 119.800 -0.032 0.000 2.297 309 Q HA -0.064 4.275 4.340 -0.001 0.000 0.204 309 Q C 0.885 176.862 176.000 -0.038 0.000 0.962 309 Q CA 0.948 56.733 55.803 -0.029 0.000 0.879 309 Q CB 0.091 28.816 28.738 -0.022 0.000 0.947 309 Q HN 0.327 nan 8.270 nan 0.000 0.462 310 N N -1.747 116.921 118.700 -0.053 0.000 2.118 310 N HA -0.040 4.699 4.740 -0.001 0.000 0.226 310 N C 1.008 176.465 175.510 -0.088 0.000 1.305 310 N CA -0.005 53.012 53.050 -0.056 0.000 0.890 310 N CB -0.230 38.232 38.487 -0.041 0.000 1.118 310 N HN -0.029 nan 8.380 nan 0.000 0.511 311 V N 0.816 120.644 119.914 -0.144 0.000 2.407 311 V HA -0.098 4.022 4.120 -0.001 0.000 0.248 311 V C 2.278 178.153 176.094 -0.366 0.000 1.055 311 V CA 2.279 64.438 62.300 -0.235 0.000 1.049 311 V CB -0.815 30.853 31.823 -0.258 0.000 0.662 311 V HN 0.433 nan 8.190 nan 0.000 0.455 312 A N -0.227 122.352 122.820 -0.403 0.000 1.877 312 A HA -0.036 4.283 4.320 -0.001 0.000 0.216 312 A C 2.438 180.052 177.584 0.050 0.000 1.186 312 A CA 2.147 54.070 52.037 -0.190 0.000 0.620 312 A CB -1.041 17.964 19.000 0.008 0.000 0.822 312 A HN 0.815 nan 8.150 nan 0.000 0.443 313 A N -0.360 122.468 122.820 0.013 0.000 1.877 313 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 313 A C 2.235 179.854 177.584 0.058 0.000 1.186 313 A CA 1.470 53.535 52.037 0.046 0.000 0.620 313 A CB -0.452 18.558 19.000 0.018 0.000 0.822 313 A HN 0.415 nan 8.150 nan 0.000 0.443 314 R N 0.097 120.621 120.500 0.040 0.000 2.081 314 R HA -0.047 4.292 4.340 -0.001 0.000 0.235 314 R C 2.415 178.749 176.300 0.057 0.000 1.131 314 R CA 1.511 57.689 56.100 0.130 0.000 0.960 314 R CB -1.055 29.325 30.300 0.133 0.000 0.856 314 R HN 0.540 nan 8.270 nan 0.000 0.436 315 S N 1.274 116.954 115.700 -0.033 0.000 2.368 315 S HA -0.160 4.309 4.470 -0.001 0.000 0.225 315 S C 1.532 175.972 174.600 -0.266 0.000 1.030 315 S CA 1.544 59.621 58.200 -0.205 0.000 0.999 315 S CB -0.307 62.896 63.200 0.006 0.000 0.844 315 S HN 0.310 nan 8.310 nan 0.000 0.459 316 D N 1.285 121.744 120.400 0.098 0.000 2.123 316 D HA -0.064 4.576 4.640 -0.001 0.000 0.196 316 D C 1.867 178.162 176.300 -0.008 0.000 0.992 316 D CA 0.837 54.957 54.000 0.199 0.000 0.833 316 D CB -0.248 40.717 40.800 0.276 0.000 0.954 316 D HN 0.214 nan 8.370 nan 0.000 0.455 317 L N -0.218 120.981 121.223 -0.041 0.000 2.017 317 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 317 L C 2.368 179.051 176.870 -0.313 0.000 1.073 317 L CA 0.935 55.732 54.840 -0.072 0.000 0.745 317 L CB -0.362 41.742 42.059 0.075 0.000 0.894 317 L HN 0.232 nan 8.230 nan 0.000 0.432 318 L N -0.855 119.985 121.223 -0.637 0.000 2.072 318 L HA -0.120 4.220 4.340 -0.001 0.000 0.205 318 L C 2.305 178.457 176.870 -1.197 0.000 1.079 318 L CA 1.441 55.556 54.840 -1.208 0.000 0.752 318 L CB -0.351 40.633 42.059 -1.791 0.000 0.906 318 L HN -0.074 nan 8.230 nan 0.000 0.436 319 V N 0.086 119.429 119.914 -0.952 0.000 2.392 319 V HA -0.319 3.800 4.120 -0.001 0.000 0.249 319 V C 2.320 178.236 176.094 -0.297 0.000 1.059 319 V CA 2.000 63.906 62.300 -0.657 0.000 1.051 319 V CB -0.850 30.578 31.823 -0.658 0.000 0.658 319 V HN 0.595 nan 8.190 nan 0.000 0.455 320 D N -0.837 119.457 120.400 -0.177 0.000 2.117 320 D HA -0.201 4.439 4.640 -0.001 0.000 0.197 320 D C 2.234 178.512 176.300 -0.037 0.000 0.987 320 D CA 1.097 55.108 54.000 0.018 0.000 0.829 320 D CB -0.016 40.845 40.800 0.102 0.000 0.961 320 D HN 0.287 nan 8.370 nan 0.000 0.460 321 Q N -0.487 119.216 119.800 -0.162 0.000 2.050 321 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 321 Q C 2.115 178.133 176.000 0.029 0.000 0.980 321 Q CA 1.016 56.750 55.803 -0.115 0.000 0.840 321 Q CB -0.599 28.003 28.738 -0.227 0.000 0.898 321 Q HN 0.555 nan 8.270 nan 0.000 0.424 322 W N 1.435 122.624 121.300 -0.185 0.000 2.358 322 W HA -0.085 4.574 4.660 -0.002 0.000 0.303 322 W C 2.090 178.487 176.519 -0.203 0.000 1.208 322 W CA 0.704 57.940 57.345 -0.182 0.000 1.274 322 W CB -0.664 28.657 29.460 -0.233 0.000 1.138 322 W HN 0.222 nan 8.180 nan 0.000 0.515 323 K N 0.263 120.617 120.400 -0.077 0.000 2.147 323 K HA -0.159 4.160 4.320 -0.001 0.000 0.205 323 K C 1.937 178.372 176.600 -0.274 0.000 1.049 323 K CA 1.379 57.450 56.287 -0.361 0.000 0.936 323 K CB -0.237 31.725 32.500 -0.896 0.000 0.722 323 K HN 0.087 nan 8.250 nan 0.000 0.446 324 K N 0.990 121.333 120.400 -0.095 0.000 2.025 324 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 324 K C 2.117 178.790 176.600 0.122 0.000 1.049 324 K CA 1.212 57.571 56.287 0.119 0.000 0.933 324 K CB -0.027 32.559 32.500 0.143 0.000 0.714 324 K HN 0.019 nan 8.250 nan 0.000 0.438 325 K N 0.767 121.245 120.400 0.129 0.000 2.097 325 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 325 K C 2.019 178.744 176.600 0.209 0.000 1.049 325 K CA 1.243 57.634 56.287 0.174 0.000 0.933 325 K CB -0.074 32.548 32.500 0.203 0.000 0.717 325 K HN 0.150 nan 8.250 nan 0.000 0.442 326 A N 1.161 124.082 122.820 0.168 0.000 2.015 326 A HA -0.121 4.198 4.320 -0.001 0.000 0.219 326 A C 1.689 179.439 177.584 0.277 0.000 1.163 326 A CA 1.206 53.380 52.037 0.227 0.000 0.646 326 A CB -0.288 18.812 19.000 0.166 0.000 0.806 326 A HN 0.295 nan 8.150 nan 0.000 0.448 327 E N 0.044 120.383 120.200 0.231 0.000 2.333 327 E HA -0.107 4.242 4.350 -0.001 0.000 0.198 327 E C 1.535 178.258 176.600 0.206 0.000 1.007 327 E CA 0.682 57.227 56.400 0.242 0.000 0.845 327 E CB -0.239 29.632 29.700 0.286 0.000 0.766 327 E HN 0.714 nan 8.360 nan 0.000 0.507 328 L N -0.607 120.699 121.223 0.138 0.000 2.591 328 L HA 0.050 4.389 4.340 -0.001 0.000 0.228 328 L C 0.172 176.837 176.870 -0.343 0.000 1.133 328 L CA 0.193 54.983 54.840 -0.083 0.000 0.880 328 L CB -0.026 41.864 42.059 -0.282 0.000 1.033 328 L HN -0.006 nan 8.230 nan 0.000 0.450 329 Y N -1.658 118.720 120.300 0.131 0.000 2.602 329 Y HA 0.377 4.926 4.550 -0.001 0.000 0.342 329 Y C 1.099 177.107 175.900 0.180 0.000 1.029 329 Y CA -0.976 57.221 58.100 0.162 0.000 1.080 329 Y CB 1.252 39.818 38.460 0.176 0.000 1.284 329 Y HN -0.272 nan 8.280 nan 0.000 0.485 330 R N -0.534 120.199 120.500 0.387 0.000 2.265 330 R HA 0.089 4.429 4.340 -0.001 0.000 0.194 330 R C 0.328 176.746 176.300 0.198 0.000 0.931 330 R CA 0.723 56.957 56.100 0.224 0.000 1.032 330 R CB 0.286 30.649 30.300 0.105 0.000 0.980 330 R HN 0.751 nan 8.270 nan 0.000 0.497 331 T N -0.770 113.946 114.554 0.270 0.000 2.922 331 T HA 0.096 4.445 4.350 -0.001 0.000 0.281 331 T C 0.673 175.499 174.700 0.209 0.000 1.005 331 T CA -0.940 61.283 62.100 0.205 0.000 0.982 331 T CB 1.233 70.207 68.868 0.177 0.000 1.158 331 T HN 0.076 nan 8.240 nan 0.000 0.566 332 N N 0.137 118.935 118.700 0.163 0.000 2.322 332 N HA 0.114 4.853 4.740 -0.001 0.000 0.216 332 N C -0.655 174.869 175.510 0.023 0.000 1.144 332 N CA -0.333 52.781 53.050 0.106 0.000 0.830 332 N CB -0.246 38.188 38.487 -0.089 0.000 1.034 332 N HN 0.377 nan 8.380 nan 0.000 0.484 333 V N 1.214 121.166 119.914 0.063 0.000 2.448 333 V HA 0.438 4.557 4.120 -0.001 0.000 0.295 333 V C -0.678 175.514 176.094 0.163 0.000 1.025 333 V CA -0.983 61.355 62.300 0.064 0.000 0.859 333 V CB 1.611 33.444 31.823 0.017 0.000 0.988 333 V HN 0.174 nan 8.190 nan 0.000 0.431 334 L N 5.587 126.860 121.223 0.083 0.000 2.362 334 L HA 0.703 5.042 4.340 -0.001 0.000 0.275 334 L C -0.965 175.793 176.870 -0.188 0.000 0.998 334 L CA -0.516 54.288 54.840 -0.060 0.000 0.820 334 L CB 1.741 43.662 42.059 -0.230 0.000 1.270 334 L HN 0.626 nan 8.230 nan 0.000 0.415 335 L N 6.168 127.064 121.223 -0.546 0.000 2.264 335 L HA 0.572 4.912 4.340 -0.001 0.000 0.289 335 L C -1.038 175.541 176.870 -0.485 0.000 1.044 335 L CA 0.107 54.457 54.840 -0.817 0.000 0.807 335 L CB 0.839 41.934 42.059 -1.607 0.000 1.192 335 L HN 0.438 nan 8.230 nan 0.000 0.425 336 I N 7.444 127.806 120.570 -0.346 0.000 2.502 336 I HA 0.332 4.501 4.170 -0.001 0.000 0.276 336 I C -2.274 173.815 176.117 -0.046 0.000 1.057 336 I CA -2.062 59.126 61.300 -0.187 0.000 1.163 336 I CB 0.966 38.816 38.000 -0.249 0.000 1.288 336 I HN 0.418 nan 8.210 nan 0.000 0.479 337 P HA 0.134 nan 4.420 nan 0.000 0.267 337 P C -0.405 177.067 177.300 0.286 0.000 1.200 337 P CA -0.213 63.014 63.100 0.212 0.000 0.772 337 P CB 0.855 32.730 31.700 0.291 0.000 0.855 338 L N 2.617 124.048 121.223 0.347 0.000 2.490 338 L HA 0.750 5.090 4.340 -0.001 0.000 0.256 338 L C -0.146 176.788 176.870 0.106 0.000 1.089 338 L CA 0.393 55.360 54.840 0.212 0.000 0.916 338 L CB 0.510 42.627 42.059 0.097 0.000 1.188 338 L HN 0.623 nan 8.230 nan 0.000 0.476 339 G N 1.561 110.313 108.800 -0.079 0.000 2.342 339 G HA2 0.482 4.442 3.960 -0.001 0.000 0.297 339 G HA3 0.482 4.442 3.960 -0.001 0.000 0.297 339 G C -2.199 172.594 174.900 -0.179 0.000 1.313 339 G CA -0.174 44.643 45.100 -0.472 0.000 0.830 339 G HN 0.391 nan 8.290 nan 0.000 0.506 340 D N -1.801 118.552 120.400 -0.078 0.000 2.879 340 D HA 0.298 4.937 4.640 -0.001 0.000 0.346 340 D C -1.540 174.906 176.300 0.243 0.000 1.390 340 D CA -0.449 53.700 54.000 0.248 0.000 0.838 340 D CB 1.265 42.152 40.800 0.145 0.000 1.416 340 D HN 0.225 nan 8.370 nan 0.000 0.493 341 D N 0.346 120.953 120.400 0.345 0.000 2.417 341 D HA 0.227 4.866 4.640 -0.001 0.000 0.250 341 D C 0.190 176.645 176.300 0.259 0.000 1.166 341 D CA 0.488 54.668 54.000 0.300 0.000 0.881 341 D CB -0.262 40.823 40.800 0.475 0.000 1.164 341 D HN 0.340 nan 8.370 nan 0.000 0.467 342 F N 0.228 120.241 119.950 0.105 0.000 3.079 342 F HA -0.308 4.218 4.527 -0.001 0.000 0.274 342 F C 1.071 176.908 175.800 0.061 0.000 0.940 342 F CA 0.603 58.644 58.000 0.069 0.000 0.932 342 F CB -0.972 38.058 39.000 0.050 0.000 0.891 342 F HN 0.222 nan 8.300 nan 0.000 0.722 343 R N -0.477 120.103 120.500 0.132 0.000 2.583 343 R HA 0.479 4.819 4.340 -0.001 0.000 0.268 343 R C 0.741 177.059 176.300 0.030 0.000 1.101 343 R CA -0.704 55.351 56.100 -0.076 0.000 1.180 343 R CB -0.069 30.061 30.300 -0.283 0.000 1.128 343 R HN 0.201 nan 8.270 nan 0.000 0.568 344 F N -0.950 118.824 119.950 -0.293 0.000 3.058 344 F HA -0.267 4.260 4.527 -0.001 0.000 0.295 344 F C 1.361 177.126 175.800 -0.058 0.000 0.875 344 F CA 0.998 58.633 58.000 -0.607 0.000 1.150 344 F CB -1.202 37.146 39.000 -1.087 0.000 1.175 344 F HN 0.608 nan 8.300 nan 0.000 0.599 345 K N -0.264 120.186 120.400 0.083 0.000 2.099 345 K HA 0.018 4.337 4.320 -0.001 0.000 0.203 345 K C 0.697 177.435 176.600 0.229 0.000 1.047 345 K CA 0.938 57.347 56.287 0.203 0.000 0.963 345 K CB 0.212 32.800 32.500 0.147 0.000 0.759 345 K HN 0.293 nan 8.250 nan 0.000 0.451 346 Q N 0.491 120.390 119.800 0.165 0.000 2.235 346 Q HA 0.178 4.517 4.340 -0.001 0.000 0.250 346 Q C 0.125 176.309 176.000 0.307 0.000 0.909 346 Q CA -0.047 55.889 55.803 0.223 0.000 0.910 346 Q CB 1.497 30.407 28.738 0.288 0.000 1.223 346 Q HN 0.213 nan 8.270 nan 0.000 0.432 347 N N -0.142 118.735 118.700 0.294 0.000 2.094 347 N HA -0.225 4.514 4.740 -0.001 0.000 0.191 347 N C 1.269 176.947 175.510 0.280 0.000 1.023 347 N CA 1.809 55.060 53.050 0.335 0.000 0.857 347 N CB 0.037 38.717 38.487 0.322 0.000 1.013 347 N HN 0.758 nan 8.380 nan 0.000 0.426 348 T N -1.455 113.263 114.554 0.274 0.000 2.915 348 T HA -0.135 4.215 4.350 -0.001 0.000 0.269 348 T C 1.613 176.504 174.700 0.319 0.000 1.071 348 T CA 0.990 63.264 62.100 0.290 0.000 1.132 348 T CB -0.154 68.879 68.868 0.275 0.000 0.878 348 T HN 0.307 nan 8.240 nan 0.000 0.479 349 E N -0.152 120.172 120.200 0.207 0.000 2.072 349 E HA -0.107 4.243 4.350 -0.001 0.000 0.190 349 E C 1.777 178.289 176.600 -0.147 0.000 0.982 349 E CA 0.748 57.043 56.400 -0.175 0.000 0.803 349 E CB -0.268 29.117 29.700 -0.526 0.000 0.755 349 E HN 0.709 nan 8.360 nan 0.000 0.453 350 W N 1.767 122.968 121.300 -0.164 0.000 2.321 350 W HA -0.200 4.459 4.660 -0.001 0.000 0.306 350 W C 2.119 178.588 176.519 -0.084 0.000 1.217 350 W CA 1.310 58.536 57.345 -0.199 0.000 1.257 350 W CB -0.248 28.665 29.460 -0.912 0.000 1.145 350 W HN 0.191 nan 8.180 nan 0.000 0.509 351 D N -0.625 119.894 120.400 0.199 0.000 2.097 351 D HA -0.166 4.473 4.640 -0.001 0.000 0.197 351 D C 2.296 178.681 176.300 0.141 0.000 0.984 351 D CA 1.443 55.565 54.000 0.203 0.000 0.826 351 D CB -0.962 39.963 40.800 0.209 0.000 0.973 351 D HN 0.024 nan 8.370 nan 0.000 0.460 352 V N 0.908 120.899 119.914 0.128 0.000 2.358 352 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 352 V C 2.214 178.346 176.094 0.063 0.000 1.047 352 V CA 1.548 63.904 62.300 0.094 0.000 1.035 352 V CB -0.076 31.856 31.823 0.182 0.000 0.658 352 V HN 0.147 nan 8.190 nan 0.000 0.452 353 Q N -0.238 119.639 119.800 0.128 0.000 2.016 353 Q HA -0.207 4.132 4.340 -0.001 0.000 0.200 353 Q C 2.354 178.550 176.000 0.327 0.000 0.978 353 Q CA 1.996 57.969 55.803 0.284 0.000 0.833 353 Q CB -0.519 28.357 28.738 0.230 0.000 0.895 353 Q HN 0.614 nan 8.270 nan 0.000 0.427 354 R N 0.476 121.133 120.500 0.260 0.000 2.073 354 R HA -0.115 4.224 4.340 -0.001 0.000 0.234 354 R C 2.252 178.700 176.300 0.247 0.000 1.134 354 R CA 1.439 57.728 56.100 0.315 0.000 0.952 354 R CB -0.088 30.357 30.300 0.241 0.000 0.850 354 R HN 0.069 nan 8.270 nan 0.000 0.433 355 V N 1.897 121.878 119.914 0.113 0.000 2.358 355 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 355 V C 2.010 178.035 176.094 -0.115 0.000 1.047 355 V CA 1.850 64.164 62.300 0.024 0.000 1.035 355 V CB -0.608 31.221 31.823 0.009 0.000 0.658 355 V HN 0.438 nan 8.190 nan 0.000 0.452 356 N N -0.675 117.848 118.700 -0.294 0.000 2.120 356 N HA -0.172 4.567 4.740 -0.001 0.000 0.188 356 N C 1.856 177.047 175.510 -0.532 0.000 1.024 356 N CA 1.669 54.329 53.050 -0.650 0.000 0.852 356 N CB -0.320 37.172 38.487 -1.659 0.000 1.003 356 N HN 0.524 nan 8.380 nan 0.000 0.424 357 Y N 1.969 122.068 120.300 -0.336 0.000 2.200 357 Y HA -0.076 4.473 4.550 -0.001 0.000 0.290 357 Y C 2.396 177.752 175.900 -0.907 0.000 1.137 357 Y CA 1.044 58.812 58.100 -0.552 0.000 1.163 357 Y CB -0.113 38.078 38.460 -0.449 0.000 0.988 357 Y HN 0.124 nan 8.280 nan 0.000 0.518 358 E N -0.153 119.869 120.200 -0.295 0.000 2.085 358 E HA -0.254 4.096 4.350 -0.001 0.000 0.194 358 E C 2.214 178.759 176.600 -0.092 0.000 0.994 358 E CA 1.267 57.597 56.400 -0.117 0.000 0.801 358 E CB -0.178 29.580 29.700 0.096 0.000 0.743 358 E HN 0.473 nan 8.360 nan 0.000 0.453 359 R N 0.333 120.756 120.500 -0.128 0.000 2.096 359 R HA -0.095 4.244 4.340 -0.001 0.000 0.235 359 R C 2.481 178.747 176.300 -0.056 0.000 1.127 359 R CA 0.862 56.916 56.100 -0.076 0.000 0.968 359 R CB -0.262 29.974 30.300 -0.107 0.000 0.861 359 R HN 0.170 nan 8.270 nan 0.000 0.440 360 L N -0.433 120.689 121.223 -0.169 0.000 2.027 360 L HA -0.164 4.176 4.340 -0.001 0.000 0.206 360 L C 2.124 179.044 176.870 0.083 0.000 1.074 360 L CA 1.104 55.881 54.840 -0.104 0.000 0.745 360 L CB -0.390 41.514 42.059 -0.260 0.000 0.898 360 L HN 0.079 nan 8.230 nan 0.000 0.433 361 F N 0.326 120.279 119.950 0.003 0.000 2.134 361 F HA -0.212 4.315 4.527 -0.001 0.000 0.299 361 F C 2.638 178.437 175.800 -0.001 0.000 1.097 361 F CA 1.326 59.318 58.000 -0.013 0.000 1.264 361 F CB -0.954 38.001 39.000 -0.075 0.000 1.001 361 F HN 0.215 nan 8.300 nan 0.000 0.479 362 E N -0.739 119.589 120.200 0.213 0.000 2.077 362 E HA -0.290 4.060 4.350 -0.001 0.000 0.193 362 E C 2.203 178.885 176.600 0.136 0.000 0.989 362 E CA 1.537 58.021 56.400 0.141 0.000 0.800 362 E CB -0.243 29.525 29.700 0.114 0.000 0.746 362 E HN 0.491 nan 8.360 nan 0.000 0.452 363 H N 0.237 119.352 119.070 0.076 0.000 2.276 363 H HA -0.044 4.511 4.556 -0.001 0.000 0.301 363 H C 2.070 177.481 175.328 0.139 0.000 1.073 363 H CA 2.197 58.304 56.048 0.098 0.000 1.311 363 H CB -0.205 29.612 29.762 0.091 0.000 1.379 363 H HN 0.152 nan 8.280 nan 0.000 0.494 364 I N 0.425 121.068 120.570 0.122 0.000 2.208 364 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 364 I C 1.719 177.862 176.117 0.043 0.000 1.097 364 I CA 1.483 62.796 61.300 0.022 0.000 1.363 364 I CB -0.289 37.640 38.000 -0.118 0.000 1.051 364 I HN 0.374 nan 8.210 nan 0.000 0.413 365 N N 0.171 118.883 118.700 0.021 0.000 2.354 365 N HA -0.099 4.640 4.740 -0.001 0.000 0.179 365 N C 1.922 177.414 175.510 -0.029 0.000 1.021 365 N CA 1.489 54.527 53.050 -0.020 0.000 0.887 365 N CB -0.235 38.232 38.487 -0.034 0.000 0.974 365 N HN 0.389 nan 8.380 nan 0.000 0.437 366 S N -0.627 115.053 115.700 -0.034 0.000 2.501 366 S HA 0.098 4.567 4.470 -0.001 0.000 0.220 366 S C 0.622 175.175 174.600 -0.079 0.000 0.997 366 S CA 0.079 58.251 58.200 -0.048 0.000 0.919 366 S CB 0.148 63.329 63.200 -0.033 0.000 0.778 366 S HN 0.033 nan 8.310 nan 0.000 0.523 367 Q N 1.202 120.931 119.800 -0.118 0.000 2.456 367 Q HA 0.534 4.873 4.340 -0.001 0.000 0.234 367 Q C 0.920 176.804 176.000 -0.193 0.000 1.061 367 Q CA 0.139 55.840 55.803 -0.171 0.000 0.896 367 Q CB 1.226 29.767 28.738 -0.329 0.000 1.233 367 Q HN 0.455 nan 8.270 nan 0.000 0.506 368 A N 2.689 125.452 122.820 -0.094 0.000 1.978 368 A HA -0.261 4.058 4.320 -0.001 0.000 0.220 368 A C 1.626 179.160 177.584 -0.084 0.000 1.170 368 A CA 2.079 54.075 52.037 -0.068 0.000 0.636 368 A CB -0.714 18.267 19.000 -0.031 0.000 0.810 368 A HN 0.894 nan 8.150 nan 0.000 0.448 369 H N -3.428 115.557 119.070 -0.143 0.000 2.489 369 H HA -0.047 4.508 4.556 -0.001 0.000 0.293 369 H C 1.369 176.614 175.328 -0.137 0.000 1.066 369 H CA 1.515 57.461 56.048 -0.169 0.000 1.305 369 H CB -0.552 29.053 29.762 -0.262 0.000 1.386 369 H HN 0.417 nan 8.280 nan 0.000 0.551 370 F N 0.904 120.551 119.950 -0.505 0.000 2.367 370 F HA 0.012 4.538 4.527 -0.001 0.000 0.298 370 F C 0.792 176.512 175.800 -0.134 0.000 1.094 370 F CA 0.654 58.489 58.000 -0.275 0.000 1.409 370 F CB -0.309 38.500 39.000 -0.319 0.000 1.064 370 F HN 0.174 nan 8.300 nan 0.000 0.528 371 N N 0.573 119.311 118.700 0.062 0.000 2.725 371 N HA -0.166 4.573 4.740 -0.001 0.000 0.251 371 N C -1.049 174.431 175.510 -0.051 0.000 1.031 371 N CA 0.483 53.551 53.050 0.031 0.000 0.720 371 N CB -1.497 37.062 38.487 0.119 0.000 0.930 371 N HN 0.031 nan 8.380 nan 0.000 0.543 372 V N 0.604 120.486 119.914 -0.054 0.000 2.735 372 V HA 0.418 4.538 4.120 -0.001 0.000 0.310 372 V C 0.171 176.180 176.094 -0.142 0.000 1.061 372 V CA -0.677 61.541 62.300 -0.135 0.000 0.913 372 V CB 2.436 34.196 31.823 -0.104 0.000 1.005 372 V HN 0.183 nan 8.190 nan 0.000 0.428 373 Q N 3.130 122.795 119.800 -0.225 0.000 2.363 373 Q HA 0.751 5.091 4.340 -0.001 0.000 0.265 373 Q C -0.824 174.921 176.000 -0.425 0.000 1.032 373 Q CA -0.130 55.514 55.803 -0.265 0.000 0.746 373 Q CB 1.591 30.180 28.738 -0.249 0.000 1.237 373 Q HN 1.005 nan 8.270 nan 0.000 0.475 374 A N 4.240 126.789 122.820 -0.452 0.000 2.337 374 A HA 0.916 5.235 4.320 -0.001 0.000 0.329 374 A C -1.163 175.726 177.584 -1.159 0.000 1.146 374 A CA -0.521 51.066 52.037 -0.751 0.000 0.800 374 A CB 1.214 19.924 19.000 -0.483 0.000 1.220 374 A HN 0.762 nan 8.150 nan 0.000 0.472 375 Q N 1.032 120.061 119.800 -1.286 0.000 2.575 375 Q HA 0.463 4.802 4.340 -0.001 0.000 0.290 375 Q C -1.629 173.930 176.000 -0.734 0.000 0.963 375 Q CA -0.694 54.418 55.803 -1.151 0.000 0.783 375 Q CB 0.554 28.980 28.738 -0.520 0.000 1.467 375 Q HN 0.390 nan 8.270 nan 0.000 0.402 376 F N 0.580 120.446 119.950 -0.139 0.000 2.518 376 F HA 0.596 5.122 4.527 -0.001 0.000 0.359 376 F C 1.241 177.083 175.800 0.070 0.000 1.118 376 F CA 1.369 59.410 58.000 0.069 0.000 1.287 376 F CB 0.824 39.922 39.000 0.163 0.000 1.132 376 F HN 0.728 nan 8.300 nan 0.000 0.587 377 G N 0.345 109.330 108.800 0.310 0.000 2.725 377 G HA2 0.615 4.574 3.960 -0.001 0.000 0.288 377 G HA3 0.615 4.574 3.960 -0.001 0.000 0.288 377 G C -1.044 173.870 174.900 0.024 0.000 1.399 377 G CA -0.687 44.546 45.100 0.222 0.000 0.859 377 G HN 0.712 nan 8.290 nan 0.000 0.479 378 T N -1.776 112.719 114.554 -0.098 0.000 2.937 378 T HA 0.455 4.805 4.350 -0.001 0.000 0.283 378 T C 1.298 175.854 174.700 -0.239 0.000 1.012 378 T CA -0.508 61.490 62.100 -0.171 0.000 0.997 378 T CB 1.497 70.276 68.868 -0.149 0.000 1.136 378 T HN 0.488 nan 8.240 nan 0.000 0.551 379 L N 0.563 121.641 121.223 -0.242 0.000 2.046 379 L HA 0.026 4.365 4.340 -0.001 0.000 0.208 379 L C 2.773 179.607 176.870 -0.059 0.000 1.077 379 L CA 1.976 56.700 54.840 -0.193 0.000 0.747 379 L CB -1.157 40.827 42.059 -0.124 0.000 0.896 379 L HN 0.895 nan 8.230 nan 0.000 0.432 380 Q N -0.066 119.725 119.800 -0.015 0.000 2.124 380 Q HA -0.228 4.111 4.340 -0.001 0.000 0.202 380 Q C 2.104 178.042 176.000 -0.104 0.000 0.977 380 Q CA 1.944 57.770 55.803 0.038 0.000 0.850 380 Q CB -0.197 28.534 28.738 -0.011 0.000 0.901 380 Q HN 0.621 nan 8.270 nan 0.000 0.429 381 E N -1.254 118.794 120.200 -0.254 0.000 2.077 381 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 381 E C 1.687 177.818 176.600 -0.781 0.000 0.989 381 E CA 1.209 57.329 56.400 -0.466 0.000 0.800 381 E CB -0.273 29.094 29.700 -0.556 0.000 0.746 381 E HN 0.505 nan 8.360 nan 0.000 0.452 382 Y N 0.412 120.160 120.300 -0.919 0.000 2.114 382 Y HA -0.255 4.294 4.550 -0.001 0.000 0.284 382 Y C 1.877 177.453 175.900 -0.539 0.000 1.143 382 Y CA 1.607 59.165 58.100 -0.903 0.000 1.135 382 Y CB -0.500 37.490 38.460 -0.784 0.000 0.980 382 Y HN -0.064 nan 8.280 nan 0.000 0.499 383 F N 1.014 120.700 119.950 -0.441 0.000 2.171 383 F HA -0.179 4.347 4.527 -0.001 0.000 0.300 383 F C 2.216 177.781 175.800 -0.391 0.000 1.090 383 F CA 1.769 59.493 58.000 -0.459 0.000 1.293 383 F CB -0.830 38.106 39.000 -0.107 0.000 1.013 383 F HN 0.105 nan 8.300 nan 0.000 0.486 384 D N 0.034 120.380 120.400 -0.089 0.000 2.123 384 D HA -0.168 4.471 4.640 -0.001 0.000 0.196 384 D C 2.345 178.558 176.300 -0.144 0.000 0.992 384 D CA 1.535 55.489 54.000 -0.077 0.000 0.833 384 D CB -0.588 40.154 40.800 -0.095 0.000 0.954 384 D HN 0.244 nan 8.370 nan 0.000 0.455 385 A N 0.355 123.020 122.820 -0.259 0.000 1.929 385 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 385 A C 2.489 179.940 177.584 -0.223 0.000 1.176 385 A CA 0.831 52.765 52.037 -0.171 0.000 0.628 385 A CB -0.550 18.427 19.000 -0.039 0.000 0.816 385 A HN 0.137 nan 8.150 nan 0.000 0.444 386 V N -0.108 119.531 119.914 -0.457 0.000 2.343 386 V HA -0.245 3.874 4.120 -0.001 0.000 0.247 386 V C 2.386 178.268 176.094 -0.353 0.000 1.051 386 V CA 2.052 64.080 62.300 -0.454 0.000 1.036 386 V CB -1.021 30.348 31.823 -0.757 0.000 0.654 386 V HN 0.645 nan 8.190 nan 0.000 0.451 387 H N -0.211 118.736 119.070 -0.205 0.000 2.462 387 H HA -0.061 4.494 4.556 -0.001 0.000 0.292 387 H C 2.411 177.698 175.328 -0.068 0.000 1.049 387 H CA 1.323 57.279 56.048 -0.153 0.000 1.334 387 H CB -0.045 29.589 29.762 -0.212 0.000 1.404 387 H HN 0.552 nan 8.280 nan 0.000 0.544 388 Q N 0.365 120.176 119.800 0.018 0.000 2.050 388 Q HA -0.073 4.266 4.340 -0.001 0.000 0.202 388 Q C 2.586 178.599 176.000 0.022 0.000 0.980 388 Q CA 1.359 57.170 55.803 0.015 0.000 0.840 388 Q CB -0.048 28.688 28.738 -0.004 0.000 0.898 388 Q HN 0.397 nan 8.270 nan 0.000 0.424 389 A N 1.118 123.945 122.820 0.011 0.000 1.902 389 A HA -0.274 4.045 4.320 -0.001 0.000 0.217 389 A C 1.945 179.558 177.584 0.047 0.000 1.181 389 A CA 1.702 53.760 52.037 0.036 0.000 0.623 389 A CB -0.573 18.452 19.000 0.041 0.000 0.818 389 A HN 0.462 nan 8.150 nan 0.000 0.443 390 E N -0.281 119.964 120.200 0.076 0.000 2.077 390 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 390 E C 2.242 178.881 176.600 0.066 0.000 0.989 390 E CA 1.027 57.486 56.400 0.097 0.000 0.800 390 E CB -0.135 29.732 29.700 0.278 0.000 0.746 390 E HN 0.584 nan 8.360 nan 0.000 0.452 391 R N -0.183 120.357 120.500 0.067 0.000 2.120 391 R HA -0.064 4.275 4.340 -0.001 0.000 0.234 391 R C 2.159 178.476 176.300 0.029 0.000 1.123 391 R CA 0.948 57.074 56.100 0.043 0.000 0.975 391 R CB -0.195 30.126 30.300 0.034 0.000 0.866 391 R HN 0.136 nan 8.270 nan 0.000 0.446 392 A N 0.206 123.044 122.820 0.029 0.000 2.235 392 A HA 0.147 4.467 4.320 -0.001 0.000 0.208 392 A C 1.353 178.948 177.584 0.018 0.000 1.172 392 A CA 0.838 52.891 52.037 0.025 0.000 0.786 392 A CB -0.236 18.785 19.000 0.035 0.000 0.804 392 A HN 0.469 nan 8.150 nan 0.000 0.479 393 G N -1.126 107.680 108.800 0.011 0.000 2.143 393 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.248 393 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.248 393 G C 0.728 175.618 174.900 -0.018 0.000 0.991 393 G CA 0.622 45.719 45.100 -0.006 0.000 0.689 393 G HN 0.534 nan 8.290 nan 0.000 0.522 394 Q N -0.711 119.084 119.800 -0.007 0.000 2.170 394 Q HA 0.319 4.658 4.340 -0.001 0.000 0.203 394 Q C 1.347 177.310 176.000 -0.061 0.000 0.976 394 Q CA 1.519 57.318 55.803 -0.006 0.000 0.858 394 Q CB 0.035 28.800 28.738 0.046 0.000 0.907 394 Q HN 1.269 nan 8.270 nan 0.000 0.433 395 A N 0.782 123.520 122.820 -0.138 0.000 2.604 395 A HA 0.436 4.755 4.320 -0.001 0.000 0.295 395 A C -1.592 175.762 177.584 -0.384 0.000 1.067 395 A CA -0.861 51.001 52.037 -0.290 0.000 0.683 395 A CB 1.356 20.085 19.000 -0.452 0.000 1.281 395 A HN 0.187 nan 8.150 nan 0.000 0.407 396 E N 0.778 120.760 120.200 -0.363 0.000 2.199 396 E HA 0.722 5.071 4.350 -0.001 0.000 0.269 396 E C -1.622 174.784 176.600 -0.324 0.000 0.899 396 E CA -0.551 55.692 56.400 -0.261 0.000 0.772 396 E CB 1.469 31.125 29.700 -0.073 0.000 1.155 396 E HN 0.332 nan 8.360 nan 0.000 0.408 397 F N 2.539 122.592 119.950 0.173 0.000 2.397 397 F HA 0.387 4.914 4.527 -0.001 0.000 0.331 397 F C -1.728 174.175 175.800 0.172 0.000 1.090 397 F CA -2.337 55.791 58.000 0.214 0.000 1.065 397 F CB 0.846 40.054 39.000 0.346 0.000 1.184 397 F HN 0.387 nan 8.300 nan 0.000 0.499 398 P HA 0.174 nan 4.420 nan 0.000 0.274 398 P C -0.673 176.775 177.300 0.246 0.000 1.231 398 P CA -0.406 62.831 63.100 0.227 0.000 0.790 398 P CB 0.955 32.758 31.700 0.170 0.000 0.951 399 T N -0.161 114.487 114.554 0.157 0.000 2.907 399 T HA 0.666 5.015 4.350 -0.001 0.000 0.284 399 T C -0.265 174.468 174.700 0.054 0.000 1.004 399 T CA -0.783 61.401 62.100 0.140 0.000 1.063 399 T CB 0.997 69.924 68.868 0.099 0.000 0.992 399 T HN 0.444 nan 8.240 nan 0.000 0.483 400 L N 1.939 123.192 121.223 0.050 0.000 2.445 400 L HA 0.721 5.061 4.340 -0.001 0.000 0.262 400 L C -0.653 176.202 176.870 -0.026 0.000 0.974 400 L CA -0.403 54.351 54.840 -0.143 0.000 0.822 400 L CB 2.193 43.908 42.059 -0.573 0.000 1.339 400 L HN 1.111 nan 8.230 nan 0.000 0.409 401 S N 2.444 118.083 115.700 -0.101 0.000 2.627 401 S HA 1.059 5.529 4.470 -0.001 0.000 0.283 401 S C -0.317 174.207 174.600 -0.126 0.000 1.127 401 S CA -0.049 58.154 58.200 0.005 0.000 0.863 401 S CB 2.037 65.216 63.200 -0.035 0.000 1.121 401 S HN 1.671 nan 8.310 nan 0.000 0.479 402 G N 0.926 109.720 108.800 -0.010 0.000 2.331 402 G HA2 0.319 4.278 3.960 -0.001 0.000 0.479 402 G HA3 0.319 4.278 3.960 -0.001 0.000 0.479 402 G C -1.805 173.020 174.900 -0.124 0.000 1.262 402 G CA -0.013 44.991 45.100 -0.160 0.000 1.029 402 G HN 1.316 nan 8.290 nan 0.000 0.487 403 D N -1.690 118.509 120.400 -0.336 0.000 2.585 403 D HA 0.739 5.379 4.640 -0.001 0.000 0.254 403 D C -0.645 175.216 176.300 -0.733 0.000 1.067 403 D CA -1.060 52.765 54.000 -0.292 0.000 1.090 403 D CB 1.109 41.925 40.800 0.027 0.000 1.408 403 D HN 0.380 nan 8.370 nan 0.000 0.554 404 F N -0.334 119.523 119.950 -0.155 0.000 2.739 404 F HA 0.398 4.925 4.527 -0.001 0.000 0.345 404 F C -0.875 174.769 175.800 -0.260 0.000 1.373 404 F CA -0.637 57.263 58.000 -0.167 0.000 1.160 404 F CB 0.108 39.037 39.000 -0.118 0.000 1.137 404 F HN -0.000 nan 8.300 nan 0.000 0.524 405 F N -0.755 119.384 119.950 0.315 0.000 2.556 405 F HA 0.565 5.091 4.527 -0.001 0.000 0.327 405 F C 0.626 176.666 175.800 0.400 0.000 1.059 405 F CA -1.420 56.826 58.000 0.409 0.000 0.953 405 F CB 1.468 40.704 39.000 0.393 0.000 1.227 405 F HN -0.290 nan 8.300 nan 0.000 0.478 406 T N 1.551 116.455 114.554 0.583 0.000 2.845 406 T HA 0.163 4.512 4.350 -0.001 0.000 0.288 406 T C -0.979 174.190 174.700 0.781 0.000 0.980 406 T CA -0.179 62.350 62.100 0.714 0.000 1.071 406 T CB 0.190 69.331 68.868 0.456 0.000 0.941 406 T HN 0.379 nan 8.240 nan 0.000 0.487 407 Y N 2.889 123.535 120.300 0.577 0.000 2.425 407 Y HA 0.437 4.986 4.550 -0.001 0.000 0.331 407 Y C -0.154 175.833 175.900 0.145 0.000 1.157 407 Y CA -1.026 57.251 58.100 0.294 0.000 1.372 407 Y CB 0.134 38.639 38.460 0.075 0.000 1.253 407 Y HN 0.684 nan 8.280 nan 0.000 0.536 408 A N 5.061 127.469 122.820 -0.686 0.000 2.393 408 A HA 0.371 4.690 4.320 -0.001 0.000 0.306 408 A C -0.063 176.908 177.584 -1.021 0.000 1.050 408 A CA -0.265 51.204 52.037 -0.947 0.000 0.724 408 A CB 0.757 18.978 19.000 -1.298 0.000 1.248 408 A HN 0.816 nan 8.150 nan 0.000 0.424 409 D N 1.370 121.340 120.400 -0.718 0.000 2.301 409 D HA 0.047 4.686 4.640 -0.001 0.000 0.206 409 D C 0.573 176.884 176.300 0.018 0.000 0.979 409 D CA 0.608 54.429 54.000 -0.298 0.000 0.874 409 D CB 0.173 40.917 40.800 -0.094 0.000 0.968 409 D HN 0.721 nan 8.370 nan 0.000 0.510 410 R N -0.958 119.498 120.500 -0.074 0.000 2.690 410 R HA 0.365 4.705 4.340 -0.001 0.000 0.269 410 R C 0.261 176.465 176.300 -0.159 0.000 1.037 410 R CA -0.047 55.867 56.100 -0.310 0.000 0.877 410 R CB 0.829 31.015 30.300 -0.191 0.000 1.255 410 R HN -0.011 nan 8.270 nan 0.000 0.467 411 S N 1.089 116.658 115.700 -0.218 0.000 4.105 411 S HA -0.378 4.091 4.470 -0.001 0.000 0.539 411 S C 0.682 175.365 174.600 0.137 0.000 1.658 411 S CA 1.739 59.952 58.200 0.021 0.000 3.958 411 S CB -1.599 61.596 63.200 -0.008 0.000 1.434 411 S HN 1.039 nan 8.310 nan 0.000 0.537 412 D N 1.681 122.146 120.400 0.108 0.000 2.427 412 D HA 0.176 4.815 4.640 -0.001 0.000 0.224 412 D C -0.242 176.149 176.300 0.152 0.000 1.157 412 D CA -0.315 53.807 54.000 0.203 0.000 0.828 412 D CB -1.583 39.337 40.800 0.200 0.000 0.974 412 D HN 0.642 nan 8.370 nan 0.000 0.498 413 N N 0.954 119.648 118.700 -0.009 0.000 2.807 413 N HA 0.062 4.801 4.740 -0.001 0.000 0.259 413 N C -0.949 174.572 175.510 0.017 0.000 1.149 413 N CA -0.315 52.742 53.050 0.012 0.000 1.042 413 N CB 0.182 38.670 38.487 0.003 0.000 1.367 413 N HN 0.140 nan 8.380 nan 0.000 0.516 414 Y N 0.195 120.593 120.300 0.163 0.000 2.308 414 Y HA 0.136 4.685 4.550 -0.001 0.000 0.329 414 Y C 0.044 176.149 175.900 0.341 0.000 1.111 414 Y CA -0.674 57.589 58.100 0.271 0.000 1.179 414 Y CB 0.658 39.221 38.460 0.172 0.000 1.201 414 Y HN 0.397 nan 8.280 nan 0.000 0.483 415 W N 2.477 123.923 121.300 0.244 0.000 1.603 415 W HA 0.248 4.907 4.660 -0.001 0.000 0.392 415 W C 0.789 177.350 176.519 0.071 0.000 0.661 415 W CA -0.615 56.897 57.345 0.280 0.000 2.021 415 W CB -0.258 29.482 29.460 0.466 0.000 1.759 415 W HN 0.556 nan 8.180 nan 0.000 0.334 416 S N -2.033 113.680 115.700 0.022 0.000 2.540 416 S HA 0.135 4.604 4.470 -0.001 0.000 0.218 416 S C 1.908 176.207 174.600 -0.501 0.000 0.977 416 S CA 0.331 58.146 58.200 -0.641 0.000 0.918 416 S CB 0.216 63.376 63.200 -0.065 0.000 0.806 416 S HN 0.338 nan 8.310 nan 0.000 0.496 417 G N 1.955 110.674 108.800 -0.135 0.000 2.408 417 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.217 417 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.217 417 G C 1.236 176.112 174.900 -0.040 0.000 1.150 417 G CA 0.865 45.905 45.100 -0.100 0.000 0.776 417 G HN 0.797 nan 8.290 nan 0.000 0.542 418 Y N -0.502 119.765 120.300 -0.054 0.000 2.578 418 Y HA 0.204 4.753 4.550 -0.001 0.000 0.297 418 Y C 1.697 177.730 175.900 0.223 0.000 1.176 418 Y CA -0.478 57.675 58.100 0.087 0.000 1.315 418 Y CB -0.306 38.286 38.460 0.221 0.000 1.031 418 Y HN 0.172 nan 8.280 nan 0.000 0.524 419 Y N 0.478 120.555 120.300 -0.372 0.000 2.571 419 Y HA 0.006 4.555 4.550 -0.001 0.000 0.294 419 Y C 1.603 177.456 175.900 -0.079 0.000 1.141 419 Y CA 0.519 58.440 58.100 -0.297 0.000 1.308 419 Y CB -0.659 37.661 38.460 -0.234 0.000 1.002 419 Y HN 0.301 nan 8.280 nan 0.000 0.551 420 T N -2.828 111.796 114.554 0.117 0.000 2.966 420 T HA 0.078 4.428 4.350 -0.001 0.000 0.254 420 T C 0.687 175.476 174.700 0.148 0.000 0.961 420 T CA -0.099 62.071 62.100 0.116 0.000 0.915 420 T CB 0.038 68.942 68.868 0.060 0.000 1.186 420 T HN -0.072 nan 8.240 nan 0.000 0.505 421 S N 2.462 118.247 115.700 0.141 0.000 2.558 421 S HA 0.202 4.671 4.470 -0.001 0.000 0.293 421 S C 0.419 175.155 174.600 0.228 0.000 1.292 421 S CA 0.044 58.337 58.200 0.156 0.000 1.063 421 S CB 0.078 63.355 63.200 0.128 0.000 0.831 421 S HN 0.410 nan 8.310 nan 0.000 0.499 422 R N 1.188 121.840 120.500 0.253 0.000 3.152 422 R HA -0.120 4.219 4.340 -0.001 0.000 0.252 422 R C -2.053 174.507 176.300 0.434 0.000 0.930 422 R CA 0.682 57.010 56.100 0.379 0.000 0.642 422 R CB -1.626 28.916 30.300 0.404 0.000 1.205 422 R HN 0.498 nan 8.270 nan 0.000 0.452 423 P HA -0.207 nan 4.420 nan 0.000 0.223 423 P C 1.078 178.600 177.300 0.370 0.000 1.151 423 P CA 0.925 64.251 63.100 0.376 0.000 0.787 423 P CB -0.015 31.948 31.700 0.439 0.000 0.788 424 Y N 1.509 121.912 120.300 0.172 0.000 2.165 424 Y HA -0.252 4.297 4.550 -0.001 0.000 0.286 424 Y C 2.263 178.173 175.900 0.016 0.000 1.155 424 Y CA 2.054 60.175 58.100 0.035 0.000 1.164 424 Y CB -0.915 37.427 38.460 -0.196 0.000 0.978 424 Y HN 0.069 nan 8.280 nan 0.000 0.513 425 H N -0.938 118.398 119.070 0.443 0.000 2.436 425 H HA 0.022 4.577 4.556 -0.001 0.000 0.294 425 H C 2.052 177.540 175.328 0.266 0.000 1.048 425 H CA 1.221 57.451 56.048 0.304 0.000 1.353 425 H CB -0.096 29.908 29.762 0.403 0.000 1.414 425 H HN 0.227 nan 8.280 nan 0.000 0.536 426 K N 0.431 121.071 120.400 0.400 0.000 2.063 426 K HA -0.190 4.129 4.320 -0.001 0.000 0.208 426 K C 2.261 178.931 176.600 0.118 0.000 1.048 426 K CA 1.436 57.889 56.287 0.276 0.000 0.928 426 K CB 0.028 32.665 32.500 0.229 0.000 0.713 426 K HN 0.043 nan 8.250 nan 0.000 0.442 427 R N 1.321 121.861 120.500 0.068 0.000 2.075 427 R HA -0.006 4.333 4.340 -0.001 0.000 0.232 427 R C 2.073 178.156 176.300 -0.361 0.000 1.126 427 R CA 1.418 57.486 56.100 -0.052 0.000 0.963 427 R CB -0.386 29.966 30.300 0.087 0.000 0.858 427 R HN 0.171 nan 8.270 nan 0.000 0.435 428 M N 0.254 119.515 119.600 -0.564 0.000 2.202 428 M HA -0.190 4.289 4.480 -0.001 0.000 0.262 428 M C 1.394 177.377 176.300 -0.529 0.000 1.063 428 M CA 2.383 57.087 55.300 -0.994 0.000 1.097 428 M CB -0.288 31.914 32.600 -0.664 0.000 1.382 428 M HN 0.285 nan 8.290 nan 0.000 0.413 429 D N -0.217 120.055 120.400 -0.213 0.000 2.123 429 D HA -0.212 4.427 4.640 -0.001 0.000 0.196 429 D C 1.895 178.126 176.300 -0.115 0.000 0.992 429 D CA 1.399 55.373 54.000 -0.044 0.000 0.833 429 D CB 0.129 41.057 40.800 0.215 0.000 0.954 429 D HN 0.211 nan 8.370 nan 0.000 0.455 430 R N 0.034 120.446 120.500 -0.146 0.000 2.115 430 R HA 0.000 4.339 4.340 -0.001 0.000 0.226 430 R C 2.387 178.569 176.300 -0.197 0.000 1.100 430 R CA 0.396 56.405 56.100 -0.151 0.000 0.980 430 R CB -0.871 29.356 30.300 -0.122 0.000 0.875 430 R HN 0.264 nan 8.270 nan 0.000 0.445 431 V N 1.416 121.149 119.914 -0.300 0.000 2.270 431 V HA -0.203 3.916 4.120 -0.001 0.000 0.245 431 V C 2.343 178.369 176.094 -0.112 0.000 1.043 431 V CA 1.450 63.584 62.300 -0.276 0.000 1.014 431 V CB -0.574 30.880 31.823 -0.615 0.000 0.645 431 V HN 0.137 nan 8.190 nan 0.000 0.447 432 L N -0.297 120.812 121.223 -0.191 0.000 2.131 432 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 432 L C 2.294 179.122 176.870 -0.071 0.000 1.092 432 L CA 1.996 56.785 54.840 -0.086 0.000 0.759 432 L CB -0.672 41.300 42.059 -0.145 0.000 0.903 432 L HN 0.341 nan 8.230 nan 0.000 0.435 433 M N -1.360 118.172 119.600 -0.114 0.000 2.082 433 M HA -0.313 4.166 4.480 -0.001 0.000 0.258 433 M C 2.361 178.567 176.300 -0.156 0.000 1.069 433 M CA 2.354 57.567 55.300 -0.145 0.000 1.102 433 M CB -0.388 32.095 32.600 -0.196 0.000 1.336 433 M HN 0.558 nan 8.290 nan 0.000 0.404 434 H N -0.699 118.229 119.070 -0.237 0.000 2.357 434 H HA -0.152 4.403 4.556 -0.001 0.000 0.301 434 H C 1.408 176.585 175.328 -0.252 0.000 1.082 434 H CA 2.361 58.236 56.048 -0.289 0.000 1.342 434 H CB -0.365 29.154 29.762 -0.407 0.000 1.389 434 H HN 0.483 nan 8.280 nan 0.000 0.511 435 Y N -0.588 119.572 120.300 -0.233 0.000 2.293 435 Y HA -0.109 4.440 4.550 -0.001 0.000 0.291 435 Y C 2.678 178.453 175.900 -0.209 0.000 1.137 435 Y CA 1.051 59.010 58.100 -0.234 0.000 1.202 435 Y CB -0.354 38.039 38.460 -0.112 0.000 0.990 435 Y HN 0.111 nan 8.280 nan 0.000 0.537 436 V N 0.142 120.023 119.914 -0.055 0.000 2.295 436 V HA -0.310 3.809 4.120 -0.001 0.000 0.246 436 V C 2.523 178.546 176.094 -0.118 0.000 1.049 436 V CA 2.158 64.408 62.300 -0.084 0.000 1.024 436 V CB -0.565 31.202 31.823 -0.094 0.000 0.648 436 V HN 0.308 nan 8.190 nan 0.000 0.447 437 R N 0.400 120.797 120.500 -0.171 0.000 2.083 437 R HA -0.198 4.141 4.340 -0.001 0.000 0.237 437 R C 2.260 178.484 176.300 -0.126 0.000 1.137 437 R CA 1.955 57.963 56.100 -0.154 0.000 0.951 437 R CB -0.507 29.688 30.300 -0.175 0.000 0.851 437 R HN 0.466 nan 8.270 nan 0.000 0.434 438 A N 0.548 123.238 122.820 -0.218 0.000 1.930 438 A HA -0.053 4.266 4.320 -0.001 0.000 0.217 438 A C 2.354 179.919 177.584 -0.031 0.000 1.175 438 A CA 1.599 53.594 52.037 -0.069 0.000 0.627 438 A CB -0.712 18.195 19.000 -0.155 0.000 0.815 438 A HN 0.575 nan 8.150 nan 0.000 0.443 439 A N -0.249 122.547 122.820 -0.039 0.000 1.930 439 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 439 A C 1.928 179.469 177.584 -0.071 0.000 1.175 439 A CA 1.476 53.489 52.037 -0.041 0.000 0.627 439 A CB -0.448 18.526 19.000 -0.042 0.000 0.815 439 A HN 0.615 nan 8.150 nan 0.000 0.443 440 E N -0.966 119.186 120.200 -0.079 0.000 2.106 440 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 440 E C 2.040 178.577 176.600 -0.105 0.000 0.984 440 E CA 1.329 57.671 56.400 -0.096 0.000 0.806 440 E CB -0.235 29.408 29.700 -0.095 0.000 0.750 440 E HN 0.761 nan 8.360 nan 0.000 0.458 441 M N 0.681 120.241 119.600 -0.066 0.000 2.123 441 M HA -0.121 4.358 4.480 -0.001 0.000 0.263 441 M C 2.140 178.433 176.300 -0.012 0.000 1.069 441 M CA 1.277 56.537 55.300 -0.066 0.000 1.133 441 M CB 0.065 32.723 32.600 0.097 0.000 1.356 441 M HN 0.063 nan 8.290 nan 0.000 0.415 442 L N 0.159 121.432 121.223 0.084 0.000 2.079 442 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 442 L C 2.608 179.636 176.870 0.262 0.000 1.081 442 L CA 1.707 56.663 54.840 0.193 0.000 0.752 442 L CB -0.527 41.498 42.059 -0.057 0.000 0.896 442 L HN 0.522 nan 8.230 nan 0.000 0.433 443 S N -1.038 114.724 115.700 0.104 0.000 2.527 443 S HA 0.066 4.536 4.470 -0.001 0.000 0.222 443 S C 1.968 176.731 174.600 0.272 0.000 0.985 443 S CA 0.392 58.709 58.200 0.195 0.000 0.921 443 S CB 0.013 63.121 63.200 -0.154 0.000 0.772 443 S HN 0.300 nan 8.310 nan 0.000 0.529 444 A N 0.884 123.692 122.820 -0.020 0.000 2.015 444 A HA 0.107 4.426 4.320 -0.001 0.000 0.219 444 A C 1.692 179.161 177.584 -0.193 0.000 1.163 444 A CA 0.690 52.615 52.037 -0.187 0.000 0.646 444 A CB -1.145 17.601 19.000 -0.423 0.000 0.806 444 A HN 0.748 nan 8.150 nan 0.000 0.448 445 W N -0.614 120.700 121.300 0.023 0.000 2.392 445 W HA -0.014 4.646 4.660 -0.001 0.000 0.279 445 W C 0.906 177.201 176.519 -0.374 0.000 1.225 445 W CA 0.991 58.248 57.345 -0.146 0.000 1.233 445 W CB -0.136 29.208 29.460 -0.193 0.000 1.122 445 W HN 0.397 nan 8.180 nan 0.000 0.561 446 H N -2.479 116.670 119.070 0.132 0.000 2.771 446 H HA 0.380 4.935 4.556 -0.001 0.000 0.367 446 H C -0.429 174.815 175.328 -0.140 0.000 1.172 446 H CA -0.940 55.028 56.048 -0.133 0.000 1.186 446 H CB 1.696 31.156 29.762 -0.504 0.000 1.790 446 H HN -0.443 nan 8.280 nan 0.000 0.556 447 S N 0.554 116.218 115.700 -0.060 0.000 2.554 447 S HA 0.311 4.780 4.470 -0.001 0.000 0.278 447 S C -1.360 173.118 174.600 -0.204 0.000 1.242 447 S CA -0.657 57.525 58.200 -0.030 0.000 1.051 447 S CB 0.237 63.426 63.200 -0.019 0.000 0.986 447 S HN 0.394 nan 8.310 nan 0.000 0.502 448 W N 2.226 123.522 121.300 -0.007 0.000 2.632 448 W HA 0.347 5.006 4.660 -0.001 0.000 0.328 448 W C -0.033 176.434 176.519 -0.086 0.000 1.044 448 W CA -0.815 56.492 57.345 -0.063 0.000 1.225 448 W CB 0.607 29.987 29.460 -0.134 0.000 1.396 448 W HN 0.650 nan 8.180 nan 0.000 0.499 449 D N 0.933 121.391 120.400 0.096 0.000 2.506 449 D HA 0.093 4.732 4.640 -0.001 0.000 0.234 449 D C 1.672 177.975 176.300 0.004 0.000 1.143 449 D CA 1.409 55.444 54.000 0.059 0.000 0.871 449 D CB 1.148 42.019 40.800 0.117 0.000 1.190 449 D HN 0.569 nan 8.370 nan 0.000 0.459 450 G N 2.988 111.802 108.800 0.024 0.000 2.450 450 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.220 450 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.220 450 G C 1.317 176.207 174.900 -0.017 0.000 1.130 450 G CA 0.441 45.544 45.100 0.006 0.000 0.760 450 G HN 0.477 nan 8.290 nan 0.000 0.557 451 M N 1.032 120.640 119.600 0.013 0.000 2.460 451 M HA 0.096 4.575 4.480 -0.001 0.000 0.263 451 M C 2.808 179.089 176.300 -0.032 0.000 1.071 451 M CA 0.793 56.132 55.300 0.064 0.000 1.096 451 M CB -0.901 31.830 32.600 0.219 0.000 1.408 451 M HN 0.325 nan 8.290 nan 0.000 0.463 452 A N -0.152 122.427 122.820 -0.402 0.000 2.066 452 A HA -0.061 4.258 4.320 -0.001 0.000 0.218 452 A C 1.338 178.758 177.584 -0.272 0.000 1.157 452 A CA 0.705 52.329 52.037 -0.689 0.000 0.670 452 A CB -0.292 18.070 19.000 -1.063 0.000 0.804 452 A HN 0.581 nan 8.150 nan 0.000 0.453 453 R N -2.040 118.356 120.500 -0.173 0.000 3.776 453 R HA -0.165 4.175 4.340 -0.001 0.000 0.312 453 R C 0.705 176.912 176.300 -0.156 0.000 1.181 453 R CA 0.699 56.733 56.100 -0.111 0.000 0.836 453 R CB -2.140 28.126 30.300 -0.056 0.000 1.324 453 R HN 0.484 nan 8.270 nan 0.000 0.501 454 I N 0.485 120.915 120.570 -0.234 0.000 2.202 454 I HA -0.199 3.971 4.170 -0.001 0.000 0.242 454 I C 2.101 178.103 176.117 -0.191 0.000 1.091 454 I CA 1.718 62.832 61.300 -0.309 0.000 1.368 454 I CB -0.634 37.038 38.000 -0.547 0.000 1.058 454 I HN 0.230 nan 8.210 nan 0.000 0.410 455 E N 0.708 120.832 120.200 -0.127 0.000 2.110 455 E HA -0.235 4.114 4.350 -0.001 0.000 0.193 455 E C 2.094 178.652 176.600 -0.070 0.000 0.988 455 E CA 1.186 57.537 56.400 -0.081 0.000 0.804 455 E CB -0.223 29.452 29.700 -0.042 0.000 0.745 455 E HN 0.488 nan 8.360 nan 0.000 0.458 456 E N 0.508 120.670 120.200 -0.064 0.000 2.058 456 E HA -0.266 4.084 4.350 -0.001 0.000 0.194 456 E C 1.899 178.462 176.600 -0.062 0.000 0.997 456 E CA 1.120 57.490 56.400 -0.049 0.000 0.801 456 E CB 0.106 29.782 29.700 -0.039 0.000 0.746 456 E HN -0.020 nan 8.360 nan 0.000 0.450 457 R N 0.279 120.729 120.500 -0.082 0.000 2.075 457 R HA 0.008 4.347 4.340 -0.001 0.000 0.232 457 R C 2.417 178.662 176.300 -0.091 0.000 1.126 457 R CA 0.977 57.027 56.100 -0.084 0.000 0.963 457 R CB -0.527 29.715 30.300 -0.097 0.000 0.858 457 R HN 0.272 nan 8.270 nan 0.000 0.435 458 L N 0.004 121.164 121.223 -0.106 0.000 2.093 458 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 458 L C 2.396 179.205 176.870 -0.101 0.000 1.085 458 L CA 1.466 56.244 54.840 -0.105 0.000 0.755 458 L CB -0.438 41.554 42.059 -0.112 0.000 0.904 458 L HN 0.300 nan 8.230 nan 0.000 0.435 459 E N 0.178 120.324 120.200 -0.090 0.000 2.077 459 E HA -0.306 4.043 4.350 -0.001 0.000 0.193 459 E C 2.209 178.740 176.600 -0.116 0.000 0.989 459 E CA 1.340 57.680 56.400 -0.100 0.000 0.800 459 E CB 0.003 29.667 29.700 -0.060 0.000 0.746 459 E HN 0.436 nan 8.360 nan 0.000 0.452 460 Q N 0.040 119.790 119.800 -0.083 0.000 2.061 460 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 460 Q C 2.085 178.034 176.000 -0.085 0.000 0.984 460 Q CA 1.836 57.596 55.803 -0.070 0.000 0.846 460 Q CB -0.254 28.456 28.738 -0.047 0.000 0.902 460 Q HN 0.349 nan 8.270 nan 0.000 0.421 461 A N 0.901 123.670 122.820 -0.086 0.000 1.902 461 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 461 A C 2.085 179.604 177.584 -0.108 0.000 1.181 461 A CA 1.432 53.418 52.037 -0.085 0.000 0.623 461 A CB -0.502 18.451 19.000 -0.079 0.000 0.818 461 A HN 0.372 nan 8.150 nan 0.000 0.443 462 R N -0.747 119.670 120.500 -0.139 0.000 2.081 462 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 462 R C 2.436 178.580 176.300 -0.260 0.000 1.131 462 R CA 1.583 57.575 56.100 -0.180 0.000 0.960 462 R CB -0.275 29.908 30.300 -0.196 0.000 0.856 462 R HN 0.497 nan 8.270 nan 0.000 0.436 463 R N 0.236 120.548 120.500 -0.313 0.000 2.090 463 R HA -0.067 4.272 4.340 -0.001 0.000 0.228 463 R C 2.090 178.306 176.300 -0.140 0.000 1.110 463 R CA 0.881 56.722 56.100 -0.432 0.000 0.973 463 R CB 0.004 30.069 30.300 -0.391 0.000 0.869 463 R HN 0.194 nan 8.270 nan 0.000 0.440 464 E N 0.870 121.030 120.200 -0.067 0.000 2.072 464 E HA -0.169 4.180 4.350 -0.001 0.000 0.191 464 E C 2.000 178.623 176.600 0.038 0.000 0.985 464 E CA 0.795 57.203 56.400 0.013 0.000 0.801 464 E CB -0.246 29.454 29.700 0.000 0.000 0.750 464 E HN 0.145 nan 8.360 nan 0.000 0.452 465 L N 1.201 122.416 121.223 -0.013 0.000 2.046 465 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 465 L C 2.184 179.092 176.870 0.063 0.000 1.077 465 L CA 1.603 56.456 54.840 0.021 0.000 0.747 465 L CB -0.538 41.501 42.059 -0.034 0.000 0.896 465 L HN -0.092 nan 8.230 nan 0.000 0.432 466 S N -0.446 115.252 115.700 -0.003 0.000 2.368 466 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 466 S C 1.826 176.552 174.600 0.209 0.000 1.030 466 S CA 1.459 59.687 58.200 0.046 0.000 0.999 466 S CB -0.584 62.536 63.200 -0.134 0.000 0.844 466 S HN 0.481 nan 8.310 nan 0.000 0.459 467 L N 0.857 122.243 121.223 0.272 0.000 2.043 467 L HA -0.058 4.281 4.340 -0.001 0.000 0.212 467 L C 1.861 178.832 176.870 0.168 0.000 1.075 467 L CA 1.736 56.739 54.840 0.271 0.000 0.752 467 L CB -0.722 41.468 42.059 0.217 0.000 0.891 467 L HN 0.285 nan 8.230 nan 0.000 0.432 468 F N -0.150 119.766 119.950 -0.056 0.000 2.451 468 F HA -0.140 4.386 4.527 -0.001 0.000 0.299 468 F C 2.195 177.918 175.800 -0.129 0.000 1.101 468 F CA 0.938 58.802 58.000 -0.226 0.000 1.436 468 F CB -0.224 38.675 39.000 -0.169 0.000 1.074 468 F HN 0.269 nan 8.300 nan 0.000 0.553 469 Q N -0.423 119.350 119.800 -0.045 0.000 2.488 469 Q HA -0.141 4.198 4.340 -0.001 0.000 0.211 469 Q C 0.500 176.444 176.000 -0.092 0.000 0.967 469 Q CA 0.449 56.200 55.803 -0.086 0.000 0.926 469 Q CB -1.340 27.415 28.738 0.027 0.000 0.992 469 Q HN 0.493 nan 8.270 nan 0.000 0.506 470 H N 1.977 120.932 119.070 -0.191 0.000 3.016 470 H HA -0.106 4.449 4.556 -0.001 0.000 0.345 470 H C 1.291 176.456 175.328 -0.272 0.000 1.066 470 H CA 0.629 56.556 56.048 -0.202 0.000 1.390 470 H CB 0.558 30.215 29.762 -0.176 0.000 1.344 470 H HN 0.238 nan 8.280 nan 0.000 0.605 471 H N 2.057 120.710 119.070 -0.695 0.000 2.568 471 H HA -0.014 4.541 4.556 -0.001 0.000 0.275 471 H C -0.374 174.516 175.328 -0.730 0.000 1.028 471 H CA 0.693 56.290 56.048 -0.751 0.000 1.173 471 H CB 0.249 29.541 29.762 -0.782 0.000 1.335 471 H HN 0.592 nan 8.280 nan 0.000 0.614 472 D N 0.292 119.961 120.400 -1.219 0.000 2.513 472 D HA 0.137 4.776 4.640 -0.001 0.000 0.222 472 D C 1.563 177.828 176.300 -0.058 0.000 1.210 472 D CA 0.264 54.094 54.000 -0.284 0.000 0.825 472 D CB 0.868 41.741 40.800 0.122 0.000 1.037 472 D HN 0.531 nan 8.370 nan 0.000 0.506 473 G N 1.153 109.698 108.800 -0.426 0.000 2.600 473 G HA2 0.010 3.969 3.960 -0.001 0.000 0.225 473 G HA3 0.010 3.969 3.960 -0.001 0.000 0.225 473 G C 1.324 175.615 174.900 -1.014 0.000 1.623 473 G CA -0.209 44.381 45.100 -0.849 0.000 0.903 473 G HN 0.206 nan 8.290 nan 0.000 0.574 474 I N 2.047 121.731 120.570 -1.476 0.000 2.423 474 I HA -0.185 3.984 4.170 -0.001 0.000 0.254 474 I C 2.858 178.876 176.117 -0.165 0.000 1.151 474 I CA 2.101 62.858 61.300 -0.905 0.000 1.421 474 I CB -0.053 37.618 38.000 -0.548 0.000 1.079 474 I HN 0.381 nan 8.210 nan 0.000 0.431 475 T N -1.629 112.873 114.554 -0.086 0.000 3.007 475 T HA 0.025 4.374 4.350 -0.001 0.000 0.270 475 T C 1.540 176.384 174.700 0.240 0.000 1.107 475 T CA 0.634 62.882 62.100 0.247 0.000 1.118 475 T CB -0.551 68.465 68.868 0.246 0.000 0.889 475 T HN 0.639 nan 8.240 nan 0.000 0.506 476 G N 1.534 110.424 108.800 0.150 0.000 2.198 476 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.257 476 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.257 476 G C 0.516 175.482 174.900 0.111 0.000 1.042 476 G CA 0.634 45.845 45.100 0.184 0.000 0.791 476 G HN 1.170 nan 8.290 nan 0.000 0.502 477 T N -3.571 111.042 114.554 0.099 0.000 3.228 477 T HA 0.740 5.089 4.350 -0.001 0.000 0.278 477 T C 0.864 175.760 174.700 0.327 0.000 1.014 477 T CA 1.026 63.116 62.100 -0.016 0.000 0.904 477 T CB 0.967 69.648 68.868 -0.311 0.000 1.110 477 T HN 1.578 nan 8.240 nan 0.000 0.541 478 A N 1.263 124.290 122.820 0.344 0.000 2.256 478 A HA 0.689 5.008 4.320 -0.001 0.000 0.318 478 A C 0.204 177.883 177.584 0.158 0.000 1.103 478 A CA -0.919 51.351 52.037 0.389 0.000 0.860 478 A CB 0.836 20.100 19.000 0.441 0.000 1.182 478 A HN 0.400 nan 8.150 nan 0.000 0.501 479 K N -0.132 120.287 120.400 0.032 0.000 2.319 479 K HA 0.143 4.462 4.320 -0.001 0.000 0.265 479 K C 1.112 177.710 176.600 -0.004 0.000 1.000 479 K CA 0.355 56.638 56.287 -0.005 0.000 0.943 479 K CB 0.422 32.905 32.500 -0.028 0.000 0.950 479 K HN 0.754 nan 8.250 nan 0.000 0.485 480 T N 1.550 116.137 114.554 0.055 0.000 2.649 480 T HA -0.227 4.122 4.350 -0.001 0.000 0.268 480 T C 1.656 176.387 174.700 0.052 0.000 1.036 480 T CA 1.962 64.101 62.100 0.066 0.000 1.157 480 T CB -0.448 68.471 68.868 0.085 0.000 0.861 480 T HN 0.702 nan 8.240 nan 0.000 0.445 481 H N 0.442 119.510 119.070 -0.003 0.000 2.495 481 H HA 0.107 4.662 4.556 -0.001 0.000 0.287 481 H C 2.056 177.362 175.328 -0.037 0.000 1.033 481 H CA 0.900 56.940 56.048 -0.014 0.000 1.307 481 H CB -0.753 28.995 29.762 -0.022 0.000 1.401 481 H HN 0.288 nan 8.280 nan 0.000 0.555 482 V N 1.191 120.735 119.914 -0.617 0.000 2.407 482 V HA -0.166 3.953 4.120 -0.001 0.000 0.245 482 V C 3.025 178.930 176.094 -0.315 0.000 1.041 482 V CA 1.087 63.066 62.300 -0.536 0.000 1.040 482 V CB -0.413 31.146 31.823 -0.440 0.000 0.671 482 V HN 0.231 nan 8.190 nan 0.000 0.455 483 V N 0.046 119.910 119.914 -0.084 0.000 2.332 483 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 483 V C 2.465 178.557 176.094 -0.004 0.000 1.055 483 V CA 2.007 64.326 62.300 0.031 0.000 1.038 483 V CB -0.558 31.243 31.823 -0.037 0.000 0.651 483 V HN 0.415 nan 8.190 nan 0.000 0.450 484 V N 0.436 120.352 119.914 0.003 0.000 2.343 484 V HA -0.309 3.810 4.120 -0.001 0.000 0.247 484 V C 2.323 178.447 176.094 0.051 0.000 1.051 484 V CA 2.431 64.766 62.300 0.059 0.000 1.036 484 V CB -0.730 31.133 31.823 0.066 0.000 0.654 484 V HN 0.644 nan 8.190 nan 0.000 0.451 485 D N -0.990 119.394 120.400 -0.027 0.000 2.104 485 D HA -0.211 4.428 4.640 -0.001 0.000 0.194 485 D C 2.006 178.334 176.300 0.048 0.000 0.994 485 D CA 1.581 55.562 54.000 -0.031 0.000 0.830 485 D CB -0.173 40.546 40.800 -0.135 0.000 0.959 485 D HN 0.482 nan 8.370 nan 0.000 0.452 486 Y N 1.015 121.371 120.300 0.095 0.000 2.145 486 Y HA -0.069 4.480 4.550 -0.001 0.000 0.286 486 Y C 2.473 178.368 175.900 -0.008 0.000 1.145 486 Y CA 1.312 59.469 58.100 0.095 0.000 1.148 486 Y CB -0.863 37.735 38.460 0.231 0.000 0.981 486 Y HN 0.146 nan 8.280 nan 0.000 0.507 487 E N 0.163 120.491 120.200 0.214 0.000 2.058 487 E HA -0.293 4.056 4.350 -0.001 0.000 0.194 487 E C 1.980 178.674 176.600 0.156 0.000 0.997 487 E CA 1.758 58.297 56.400 0.231 0.000 0.801 487 E CB -0.048 29.866 29.700 0.356 0.000 0.746 487 E HN 0.587 nan 8.360 nan 0.000 0.450 488 Q N -0.079 119.798 119.800 0.128 0.000 2.084 488 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 488 Q C 2.321 178.367 176.000 0.076 0.000 0.978 488 Q CA 1.472 57.331 55.803 0.094 0.000 0.844 488 Q CB -0.114 28.670 28.738 0.076 0.000 0.898 488 Q HN 0.182 nan 8.270 nan 0.000 0.426 489 R N 0.130 120.681 120.500 0.085 0.000 2.081 489 R HA -0.065 4.274 4.340 -0.001 0.000 0.235 489 R C 2.265 178.585 176.300 0.034 0.000 1.131 489 R CA 1.519 57.661 56.100 0.069 0.000 0.960 489 R CB -0.199 30.168 30.300 0.111 0.000 0.856 489 R HN 0.307 nan 8.270 nan 0.000 0.436 490 M N 0.021 119.630 119.600 0.014 0.000 2.229 490 M HA -0.168 4.311 4.480 -0.001 0.000 0.264 490 M C 2.318 178.610 176.300 -0.013 0.000 1.063 490 M CA 1.324 56.597 55.300 -0.046 0.000 1.114 490 M CB -0.123 32.384 32.600 -0.154 0.000 1.387 490 M HN 0.039 nan 8.290 nan 0.000 0.420 491 Q N 1.034 120.860 119.800 0.043 0.000 2.084 491 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 491 Q C 1.715 177.727 176.000 0.020 0.000 0.978 491 Q CA 1.705 57.545 55.803 0.061 0.000 0.844 491 Q CB -0.143 28.650 28.738 0.092 0.000 0.898 491 Q HN 0.348 nan 8.270 nan 0.000 0.426 492 E N -0.055 120.154 120.200 0.016 0.000 2.110 492 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 492 E C 1.847 178.435 176.600 -0.021 0.000 0.988 492 E CA 1.185 57.584 56.400 -0.001 0.000 0.804 492 E CB -0.488 29.216 29.700 0.007 0.000 0.745 492 E HN 0.473 nan 8.360 nan 0.000 0.458 493 A N 1.212 124.016 122.820 -0.027 0.000 1.902 493 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 493 A C 2.400 179.946 177.584 -0.064 0.000 1.181 493 A CA 1.056 53.065 52.037 -0.047 0.000 0.623 493 A CB -0.696 18.273 19.000 -0.051 0.000 0.818 493 A HN 0.177 nan 8.150 nan 0.000 0.443 494 L N -0.683 120.497 121.223 -0.072 0.000 2.046 494 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 494 L C 2.595 179.388 176.870 -0.128 0.000 1.077 494 L CA 1.731 56.498 54.840 -0.122 0.000 0.747 494 L CB -0.434 41.554 42.059 -0.117 0.000 0.896 494 L HN 0.370 nan 8.230 nan 0.000 0.432 495 K N 0.013 120.366 120.400 -0.078 0.000 2.063 495 K HA -0.173 4.147 4.320 -0.001 0.000 0.208 495 K C 2.232 178.794 176.600 -0.064 0.000 1.048 495 K CA 1.423 57.670 56.287 -0.068 0.000 0.928 495 K CB -0.304 32.171 32.500 -0.042 0.000 0.713 495 K HN 0.295 nan 8.250 nan 0.000 0.442 496 A N 1.208 123.992 122.820 -0.060 0.000 1.877 496 A HA -0.193 4.126 4.320 -0.001 0.000 0.216 496 A C 2.464 180.007 177.584 -0.068 0.000 1.186 496 A CA 1.552 53.552 52.037 -0.060 0.000 0.620 496 A CB -1.028 17.936 19.000 -0.060 0.000 0.822 496 A HN 0.417 nan 8.150 nan 0.000 0.443 497 C N -0.994 118.263 119.300 -0.071 0.000 2.432 497 C HA -0.139 4.320 4.460 -0.001 0.000 0.277 497 C C 2.880 177.847 174.990 -0.038 0.000 1.249 497 C CA 1.311 60.297 59.018 -0.053 0.000 1.725 497 C CB -1.296 26.425 27.740 -0.031 0.000 2.028 497 C HN 0.794 nan 8.230 nan 0.000 0.477 498 Q N 0.105 119.856 119.800 -0.082 0.000 2.096 498 Q HA -0.283 4.056 4.340 -0.001 0.000 0.204 498 Q C 2.157 178.178 176.000 0.036 0.000 0.982 498 Q CA 2.037 57.816 55.803 -0.039 0.000 0.850 498 Q CB -0.270 28.413 28.738 -0.093 0.000 0.901 498 Q HN 0.586 nan 8.270 nan 0.000 0.422 499 M N -0.235 119.362 119.600 -0.005 0.000 2.080 499 M HA -0.140 4.339 4.480 -0.001 0.000 0.260 499 M C 1.881 178.179 176.300 -0.005 0.000 1.068 499 M CA 1.482 56.786 55.300 0.007 0.000 1.109 499 M CB -0.336 32.251 32.600 -0.021 0.000 1.342 499 M HN 0.142 nan 8.290 nan 0.000 0.405 500 V N 0.049 119.923 119.914 -0.066 0.000 2.358 500 V HA -0.299 3.820 4.120 -0.001 0.000 0.246 500 V C 2.397 178.436 176.094 -0.092 0.000 1.047 500 V CA 2.117 64.323 62.300 -0.156 0.000 1.035 500 V CB -0.668 31.046 31.823 -0.183 0.000 0.658 500 V HN 0.544 nan 8.190 nan 0.000 0.452 501 M N 0.251 119.861 119.600 0.017 0.000 2.080 501 M HA -0.265 4.214 4.480 -0.001 0.000 0.260 501 M C 2.387 178.719 176.300 0.054 0.000 1.068 501 M CA 2.434 57.788 55.300 0.090 0.000 1.109 501 M CB -0.461 32.329 32.600 0.317 0.000 1.342 501 M HN 0.548 nan 8.290 nan 0.000 0.405 502 Q N -0.300 119.612 119.800 0.187 0.000 2.172 502 Q HA -0.116 4.223 4.340 -0.001 0.000 0.200 502 Q C 1.800 177.968 176.000 0.280 0.000 0.964 502 Q CA 1.120 57.061 55.803 0.231 0.000 0.855 502 Q CB -0.585 28.397 28.738 0.408 0.000 0.918 502 Q HN 0.418 nan 8.270 nan 0.000 0.444 503 Q N 0.525 120.477 119.800 0.254 0.000 2.124 503 Q HA -0.048 4.291 4.340 -0.001 0.000 0.202 503 Q C 2.231 178.453 176.000 0.369 0.000 0.977 503 Q CA 1.643 57.668 55.803 0.370 0.000 0.850 503 Q CB -0.129 28.751 28.738 0.237 0.000 0.901 503 Q HN 0.508 nan 8.270 nan 0.000 0.429 504 S N 0.327 116.124 115.700 0.160 0.000 2.368 504 S HA -0.085 4.385 4.470 -0.001 0.000 0.224 504 S C 2.203 176.816 174.600 0.022 0.000 1.029 504 S CA 0.949 59.287 58.200 0.231 0.000 0.988 504 S CB -0.176 63.093 63.200 0.113 0.000 0.838 504 S HN 0.124 nan 8.310 nan 0.000 0.462 505 V N 0.934 120.737 119.914 -0.185 0.000 2.295 505 V HA -0.190 3.929 4.120 -0.001 0.000 0.246 505 V C 2.021 178.039 176.094 -0.126 0.000 1.049 505 V CA 1.887 63.941 62.300 -0.410 0.000 1.024 505 V CB -0.779 30.391 31.823 -1.089 0.000 0.648 505 V HN 0.553 nan 8.190 nan 0.000 0.447 506 Y N 1.360 121.669 120.300 0.014 0.000 2.128 506 Y HA -0.281 4.269 4.550 -0.001 0.000 0.284 506 Y C 2.730 178.646 175.900 0.026 0.000 1.154 506 Y CA 2.257 60.440 58.100 0.138 0.000 1.149 506 Y CB -0.437 37.993 38.460 -0.050 0.000 0.976 506 Y HN 0.093 nan 8.280 nan 0.000 0.505 507 R N -0.165 120.123 120.500 -0.353 0.000 2.092 507 R HA -0.108 4.231 4.340 -0.001 0.000 0.231 507 R C 2.146 178.035 176.300 -0.686 0.000 1.119 507 R CA 1.636 57.160 56.100 -0.961 0.000 0.970 507 R CB -0.359 29.441 30.300 -0.833 0.000 0.864 507 R HN 0.457 nan 8.270 nan 0.000 0.440 508 L N 0.145 121.139 121.223 -0.382 0.000 2.395 508 L HA -0.013 4.326 4.340 -0.001 0.000 0.218 508 L C 1.247 177.961 176.870 -0.260 0.000 1.130 508 L CA 0.587 55.181 54.840 -0.410 0.000 0.826 508 L CB 0.220 41.886 42.059 -0.656 0.000 0.941 508 L HN 0.214 nan 8.230 nan 0.000 0.451 509 L N -1.127 120.032 121.223 -0.108 0.000 3.168 509 L HA 0.242 4.581 4.340 -0.001 0.000 0.277 509 L C -0.323 176.616 176.870 0.115 0.000 1.245 509 L CA -0.046 54.844 54.840 0.083 0.000 1.035 509 L CB 0.627 42.901 42.059 0.359 0.000 1.399 509 L HN -0.013 nan 8.230 nan 0.000 0.580 510 T N 0.036 114.556 114.554 -0.057 0.000 2.824 510 T HA 0.184 4.533 4.350 -0.001 0.000 0.282 510 T C -0.204 174.432 174.700 -0.108 0.000 0.993 510 T CA -0.573 61.507 62.100 -0.032 0.000 0.967 510 T CB 2.505 71.335 68.868 -0.063 0.000 0.960 510 T HN 0.016 nan 8.240 nan 0.000 0.441 511 K N 3.780 124.138 120.400 -0.071 0.000 2.491 511 K HA 0.002 4.321 4.320 -0.001 0.000 0.279 511 K C -1.737 174.845 176.600 -0.030 0.000 1.026 511 K CA -1.116 55.136 56.287 -0.058 0.000 1.070 511 K CB 0.459 32.930 32.500 -0.047 0.000 0.887 511 K HN 0.162 nan 8.250 nan 0.000 0.481 512 P HA -0.208 nan 4.420 nan 0.000 0.216 512 P C 0.853 178.174 177.300 0.036 0.000 1.150 512 P CA 1.567 64.655 63.100 -0.019 0.000 0.843 512 P CB 0.142 31.824 31.700 -0.030 0.000 0.787 513 S N -2.259 113.452 115.700 0.019 0.000 2.607 513 S HA 0.035 4.504 4.470 -0.001 0.000 0.224 513 S C 1.653 176.272 174.600 0.032 0.000 0.969 513 S CA 0.571 58.784 58.200 0.022 0.000 0.927 513 S CB -1.119 62.086 63.200 0.008 0.000 0.772 513 S HN 0.113 nan 8.310 nan 0.000 0.533 514 I N -0.932 119.669 120.570 0.051 0.000 3.616 514 I HA 0.205 4.374 4.170 -0.001 0.000 0.296 514 I C 0.520 176.710 176.117 0.122 0.000 1.226 514 I CA -0.426 60.916 61.300 0.070 0.000 1.394 514 I CB -0.087 37.951 38.000 0.063 0.000 1.171 514 I HN 0.230 nan 8.210 nan 0.000 0.442 515 Y N 3.058 123.335 120.300 -0.039 0.000 2.846 515 Y HA -0.102 4.447 4.550 -0.001 0.000 0.352 515 Y C 0.549 176.456 175.900 0.012 0.000 1.298 515 Y CA -0.061 57.984 58.100 -0.092 0.000 1.634 515 Y CB 0.204 38.516 38.460 -0.247 0.000 1.214 515 Y HN -0.111 nan 8.280 nan 0.000 0.529 516 S N 8.954 124.532 115.700 -0.203 0.000 2.112 516 S HA 0.377 4.846 4.470 -0.001 0.000 0.151 516 S C -2.733 171.705 174.600 -0.270 0.000 1.723 516 S CA -1.302 56.744 58.200 -0.256 0.000 1.263 516 S CB -0.207 62.944 63.200 -0.083 0.000 1.194 516 S HN 0.626 nan 8.310 nan 0.000 0.419 517 P HA 0.309 nan 4.420 nan 0.000 0.275 517 P C -1.057 176.029 177.300 -0.357 0.000 1.228 517 P CA -0.202 62.706 63.100 -0.320 0.000 0.786 517 P CB 0.734 32.154 31.700 -0.466 0.000 0.927 518 D N 1.848 122.199 120.400 -0.082 0.000 2.344 518 D HA 0.171 4.811 4.640 -0.001 0.000 0.239 518 D C 0.222 176.546 176.300 0.040 0.000 1.064 518 D CA -0.543 53.356 54.000 -0.167 0.000 0.829 518 D CB 0.740 41.478 40.800 -0.102 0.000 1.129 518 D HN 0.072 nan 8.370 nan 0.000 0.506 519 F N 1.357 121.425 119.950 0.198 0.000 2.802 519 F HA -0.040 4.486 4.527 -0.001 0.000 0.300 519 F C 2.339 178.224 175.800 0.141 0.000 1.168 519 F CA 0.185 58.308 58.000 0.206 0.000 1.433 519 F CB -0.275 38.829 39.000 0.174 0.000 1.115 519 F HN 0.273 nan 8.300 nan 0.000 0.582 520 S N -1.855 113.993 115.700 0.247 0.000 2.539 520 S HA 0.168 4.637 4.470 -0.001 0.000 0.221 520 S C 0.128 174.791 174.600 0.105 0.000 0.987 520 S CA -0.410 57.879 58.200 0.149 0.000 0.929 520 S CB -0.629 62.637 63.200 0.109 0.000 0.832 520 S HN 0.092 nan 8.310 nan 0.000 0.492 521 F N 2.372 122.267 119.950 -0.093 0.000 2.432 521 F HA 0.638 5.164 4.527 -0.001 0.000 0.329 521 F C -0.124 175.450 175.800 -0.378 0.000 1.076 521 F CA -0.763 57.050 58.000 -0.312 0.000 1.018 521 F CB 1.904 40.569 39.000 -0.557 0.000 1.201 521 F HN -0.059 nan 8.300 nan 0.000 0.489 522 S N 4.973 119.965 115.700 -1.179 0.000 2.464 522 S HA 0.173 4.642 4.470 -0.001 0.000 0.313 522 S C 0.196 174.271 174.600 -0.876 0.000 1.078 522 S CA -0.351 57.388 58.200 -0.769 0.000 1.096 522 S CB -0.131 62.697 63.200 -0.620 0.000 1.032 522 S HN 0.627 nan 8.310 nan 0.000 0.498 523 Y N 1.564 121.697 120.300 -0.279 0.000 2.286 523 Y HA 0.228 4.777 4.550 -0.001 0.000 0.293 523 Y C 0.360 175.729 175.900 -0.886 0.000 1.124 523 Y CA 0.628 58.418 58.100 -0.516 0.000 1.178 523 Y CB 0.156 38.431 38.460 -0.309 0.000 1.010 523 Y HN 0.493 nan 8.280 nan 0.000 0.536 524 F N -1.232 118.696 119.950 -0.037 0.000 2.599 524 F HA 0.459 4.986 4.527 -0.001 0.000 0.311 524 F C -0.044 175.794 175.800 0.063 0.000 1.076 524 F CA -1.552 56.478 58.000 0.051 0.000 0.937 524 F CB 1.588 40.755 39.000 0.278 0.000 1.282 524 F HN -0.388 nan 8.300 nan 0.000 0.460 525 T N 0.152 114.864 114.554 0.264 0.000 2.888 525 T HA 0.697 5.046 4.350 -0.001 0.000 0.284 525 T C -0.568 174.242 174.700 0.185 0.000 1.017 525 T CA -0.826 61.373 62.100 0.166 0.000 1.022 525 T CB 1.210 70.109 68.868 0.051 0.000 1.013 525 T HN 0.519 nan 8.240 nan 0.000 0.465 526 L N 2.008 123.256 121.223 0.041 0.000 2.426 526 L HA 0.392 4.731 4.340 -0.001 0.000 0.271 526 L C 0.091 176.927 176.870 -0.057 0.000 1.169 526 L CA -0.220 54.543 54.840 -0.128 0.000 0.836 526 L CB 0.686 42.614 42.059 -0.219 0.000 1.112 526 L HN 0.821 nan 8.230 nan 0.000 0.465 527 D N 1.810 122.171 120.400 -0.064 0.000 2.492 527 D HA 0.239 4.878 4.640 -0.001 0.000 0.248 527 D C -1.278 174.953 176.300 -0.115 0.000 1.101 527 D CA -0.386 53.575 54.000 -0.064 0.000 0.840 527 D CB 1.201 41.996 40.800 -0.010 0.000 1.209 527 D HN 0.283 nan 8.370 nan 0.000 0.524 528 D N 2.309 122.652 120.400 -0.095 0.000 2.549 528 D HA 0.193 4.832 4.640 -0.001 0.000 0.251 528 D C 0.043 176.284 176.300 -0.098 0.000 1.153 528 D CA -0.473 53.502 54.000 -0.042 0.000 0.861 528 D CB 1.920 42.784 40.800 0.105 0.000 1.207 528 D HN 0.253 nan 8.370 nan 0.000 0.543 529 S N 2.623 118.239 115.700 -0.140 0.000 2.522 529 S HA 0.030 4.499 4.470 -0.001 0.000 0.227 529 S C 1.320 175.876 174.600 -0.074 0.000 0.986 529 S CA 0.516 58.623 58.200 -0.154 0.000 0.929 529 S CB 0.382 63.478 63.200 -0.173 0.000 0.769 529 S HN 0.489 nan 8.310 nan 0.000 0.529 530 R N -0.538 119.952 120.500 -0.016 0.000 2.549 530 R HA 0.223 4.562 4.340 -0.001 0.000 0.344 530 R C -0.772 175.608 176.300 0.135 0.000 0.979 530 R CA -0.110 56.005 56.100 0.026 0.000 1.140 530 R CB 0.828 31.134 30.300 0.010 0.000 1.377 530 R HN 0.339 nan 8.270 nan 0.000 0.541 531 W N 1.353 122.611 121.300 -0.069 0.000 3.405 531 W HA 0.285 4.944 4.660 -0.001 0.000 0.329 531 W C -2.905 173.579 176.519 -0.058 0.000 1.142 531 W CA -1.918 55.385 57.345 -0.071 0.000 1.235 531 W CB 1.714 31.143 29.460 -0.052 0.000 1.341 531 W HN -0.197 nan 8.180 nan 0.000 0.481 532 P HA 0.089 nan 4.420 nan 0.000 0.225 532 P C 0.408 177.377 177.300 -0.551 0.000 1.148 532 P CA 1.866 64.175 63.100 -1.318 0.000 0.779 532 P CB 0.252 31.366 31.700 -0.978 0.000 0.780 533 G N -1.129 107.502 108.800 -0.282 0.000 2.650 533 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.686 533 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.686 533 G C -0.392 174.450 174.900 -0.096 0.000 1.205 533 G CA -0.559 44.457 45.100 -0.140 0.000 0.781 533 G HN 0.062 nan 8.290 nan 0.000 0.648 534 S N 0.299 115.982 115.700 -0.029 0.000 2.575 534 S HA 0.469 4.938 4.470 -0.001 0.000 0.295 534 S C 1.900 176.499 174.600 -0.003 0.000 1.267 534 S CA 2.239 60.454 58.200 0.025 0.000 1.074 534 S CB -0.056 63.197 63.200 0.088 0.000 0.829 534 S HN 2.665 nan 8.310 nan 0.000 0.497 535 G N 2.935 111.733 108.800 -0.004 0.000 2.205 535 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.261 535 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.261 535 G C 0.670 175.539 174.900 -0.052 0.000 0.980 535 G CA 0.368 45.451 45.100 -0.028 0.000 0.632 535 G HN 0.789 nan 8.290 nan 0.000 0.533 536 V N -0.489 119.378 119.914 -0.078 0.000 2.581 536 V HA 0.429 4.549 4.120 -0.001 0.000 0.240 536 V C 0.911 176.941 176.094 -0.107 0.000 1.054 536 V CA 1.942 64.180 62.300 -0.103 0.000 1.076 536 V CB 0.767 32.495 31.823 -0.158 0.000 0.748 536 V HN 0.444 nan 8.190 nan 0.000 0.474 537 E N -0.486 119.646 120.200 -0.114 0.000 2.354 537 E HA 0.166 4.515 4.350 -0.001 0.000 0.283 537 E C -1.452 175.113 176.600 -0.058 0.000 0.938 537 E CA -0.395 55.949 56.400 -0.093 0.000 0.777 537 E CB 1.657 31.273 29.700 -0.140 0.000 1.222 537 E HN 0.131 nan 8.360 nan 0.000 0.423 538 D N 2.560 122.948 120.400 -0.021 0.000 2.619 538 D HA 0.031 4.671 4.640 -0.001 0.000 0.224 538 D C 0.404 176.706 176.300 0.004 0.000 1.133 538 D CA 0.220 54.229 54.000 0.015 0.000 1.017 538 D CB 0.251 41.069 40.800 0.030 0.000 1.077 538 D HN 0.410 nan 8.370 nan 0.000 0.503 539 S N 1.551 117.237 115.700 -0.024 0.000 2.503 539 S HA 0.131 4.600 4.470 -0.001 0.000 0.215 539 S C 1.031 175.615 174.600 -0.026 0.000 1.003 539 S CA -0.314 57.864 58.200 -0.037 0.000 0.910 539 S CB 0.504 63.659 63.200 -0.075 0.000 0.790 539 S HN 0.221 nan 8.310 nan 0.000 0.514 540 R N 1.797 122.283 120.500 -0.024 0.000 2.390 540 R HA 0.398 4.737 4.340 -0.001 0.000 0.291 540 R C -0.592 175.731 176.300 0.038 0.000 1.070 540 R CA -0.011 56.054 56.100 -0.060 0.000 1.014 540 R CB 0.567 30.704 30.300 -0.272 0.000 1.007 540 R HN 0.110 nan 8.270 nan 0.000 0.466 541 T N 2.315 116.893 114.554 0.039 0.000 2.832 541 T HA 0.093 4.442 4.350 -0.001 0.000 0.296 541 T C 0.072 174.869 174.700 0.162 0.000 0.968 541 T CA -0.020 62.134 62.100 0.089 0.000 1.107 541 T CB 0.943 69.855 68.868 0.074 0.000 0.916 541 T HN 0.423 nan 8.240 nan 0.000 0.517 542 T N 4.542 119.202 114.554 0.176 0.000 2.817 542 T HA 0.344 4.693 4.350 -0.001 0.000 0.293 542 T C 0.732 175.535 174.700 0.171 0.000 0.964 542 T CA -0.425 61.801 62.100 0.211 0.000 1.085 542 T CB 0.199 69.155 68.868 0.147 0.000 0.921 542 T HN 0.411 nan 8.240 nan 0.000 0.502 543 I N 4.532 125.224 120.570 0.203 0.000 2.505 543 I HA 0.114 4.283 4.170 -0.001 0.000 0.287 543 I C 0.115 176.316 176.117 0.140 0.000 1.104 543 I CA -0.155 61.243 61.300 0.164 0.000 1.387 543 I CB 0.270 38.369 38.000 0.166 0.000 1.404 543 I HN 0.352 nan 8.210 nan 0.000 0.528 544 I N 8.326 128.965 120.570 0.114 0.000 2.312 544 I HA 0.423 4.593 4.170 -0.001 0.000 0.290 544 I C -0.023 176.152 176.117 0.097 0.000 1.008 544 I CA -0.245 61.115 61.300 0.100 0.000 1.226 544 I CB 0.762 38.810 38.000 0.080 0.000 1.371 544 I HN 0.438 nan 8.210 nan 0.000 0.468 545 L N 5.032 126.315 121.223 0.101 0.000 2.350 545 L HA 0.968 5.307 4.340 -0.001 0.000 0.260 545 L C 0.061 176.985 176.870 0.090 0.000 1.015 545 L CA -0.652 54.244 54.840 0.093 0.000 0.821 545 L CB 2.635 44.752 42.059 0.097 0.000 1.370 545 L HN 0.709 nan 8.230 nan 0.000 0.416 546 G N -0.131 108.717 108.800 0.079 0.000 2.596 546 G HA2 0.223 4.182 3.960 -0.001 0.000 0.296 546 G HA3 0.223 4.182 3.960 -0.001 0.000 0.296 546 G C -0.183 174.754 174.900 0.061 0.000 1.513 546 G CA -0.419 44.725 45.100 0.075 0.000 0.851 546 G HN 0.480 nan 8.290 nan 0.000 0.548 547 E N 0.477 120.711 120.200 0.057 0.000 2.171 547 E HA -0.126 4.223 4.350 -0.001 0.000 0.197 547 E C 1.036 177.658 176.600 0.036 0.000 0.997 547 E CA 1.261 57.686 56.400 0.042 0.000 0.810 547 E CB 0.268 29.989 29.700 0.034 0.000 0.738 547 E HN 0.595 nan 8.360 nan 0.000 0.467 548 D N -0.320 120.103 120.400 0.038 0.000 2.339 548 D HA 0.064 4.703 4.640 -0.001 0.000 0.217 548 D C 1.796 178.117 176.300 0.036 0.000 1.050 548 D CA 0.289 54.308 54.000 0.033 0.000 0.856 548 D CB 0.549 41.367 40.800 0.030 0.000 0.922 548 D HN 0.341 nan 8.370 nan 0.000 0.518 549 I N -3.338 117.258 120.570 0.042 0.000 3.814 549 I HA 0.240 4.410 4.170 -0.001 0.000 0.264 549 I C -0.312 175.836 176.117 0.052 0.000 1.145 549 I CA -0.317 61.011 61.300 0.046 0.000 1.375 549 I CB 1.053 39.082 38.000 0.049 0.000 1.638 549 I HN -0.218 nan 8.210 nan 0.000 0.432 550 L N 2.141 123.398 121.223 0.057 0.000 2.753 550 L HA 0.561 4.900 4.340 -0.001 0.000 0.259 550 L C -2.596 174.311 176.870 0.062 0.000 0.958 550 L CA -1.157 53.722 54.840 0.065 0.000 0.955 550 L CB 1.751 43.856 42.059 0.078 0.000 1.317 550 L HN -0.185 nan 8.230 nan 0.000 0.436 551 P HA 0.074 nan 4.420 nan 0.000 0.222 551 P C -0.280 177.043 177.300 0.039 0.000 1.153 551 P CA 0.843 63.969 63.100 0.043 0.000 0.798 551 P CB 0.293 32.012 31.700 0.030 0.000 0.796 552 S N -2.343 113.377 115.700 0.034 0.000 2.607 552 S HA 0.748 5.217 4.470 -0.001 0.000 0.273 552 S C -1.137 173.477 174.600 0.024 0.000 1.148 552 S CA -0.743 57.460 58.200 0.005 0.000 0.833 552 S CB 2.541 65.710 63.200 -0.052 0.000 1.130 552 S HN -0.177 nan 8.310 nan 0.000 0.470 553 K N 0.662 121.064 120.400 0.003 0.000 2.513 553 K HA 0.517 4.836 4.320 -0.001 0.000 0.251 553 K C -1.889 174.750 176.600 0.065 0.000 0.939 553 K CA -0.254 56.085 56.287 0.087 0.000 0.793 553 K CB 0.891 33.460 32.500 0.115 0.000 1.241 553 K HN 0.876 nan 8.250 nan 0.000 0.431 554 H N 0.954 120.180 119.070 0.261 0.000 2.610 554 H HA 0.454 5.009 4.556 -0.001 0.000 0.336 554 H C -0.065 175.500 175.328 0.394 0.000 1.087 554 H CA 0.057 56.310 56.048 0.341 0.000 1.405 554 H CB 1.041 31.119 29.762 0.526 0.000 1.460 554 H HN 0.395 nan 8.280 nan 0.000 0.538 555 V N 0.847 121.050 119.914 0.482 0.000 2.962 555 V HA 0.763 4.883 4.120 -0.001 0.000 0.313 555 V C -0.775 175.678 176.094 0.599 0.000 1.099 555 V CA -0.884 61.684 62.300 0.447 0.000 0.971 555 V CB 2.077 33.890 31.823 -0.016 0.000 1.028 555 V HN 0.488 nan 8.190 nan 0.000 0.430 556 V N 3.760 124.047 119.914 0.621 0.000 2.686 556 V HA 0.640 4.759 4.120 -0.001 0.000 0.306 556 V C -0.523 175.937 176.094 0.611 0.000 1.065 556 V CA -0.344 62.280 62.300 0.541 0.000 0.894 556 V CB 1.864 33.852 31.823 0.275 0.000 1.004 556 V HN 0.946 nan 8.190 nan 0.000 0.424 557 M N 4.045 123.970 119.600 0.542 0.000 2.436 557 M HA 0.501 4.980 4.480 -0.001 0.000 0.331 557 M C -0.533 176.036 176.300 0.449 0.000 1.135 557 M CA -0.291 55.297 55.300 0.481 0.000 0.987 557 M CB 1.307 34.129 32.600 0.371 0.000 1.687 557 M HN 0.757 nan 8.290 nan 0.000 0.445 558 H N 1.949 121.239 119.070 0.366 0.000 2.469 558 H HA 0.486 5.041 4.556 -0.001 0.000 0.342 558 H C -1.371 174.079 175.328 0.204 0.000 1.115 558 H CA -0.560 55.665 56.048 0.295 0.000 1.204 558 H CB 1.191 31.196 29.762 0.405 0.000 1.492 558 H HN 0.651 nan 8.280 nan 0.000 0.499 559 N N 3.057 121.497 118.700 -0.432 0.000 2.524 559 N HA 0.044 4.783 4.740 -0.001 0.000 0.261 559 N C 0.340 175.514 175.510 -0.561 0.000 0.998 559 N CA -0.297 52.518 53.050 -0.391 0.000 0.915 559 N CB 1.609 39.975 38.487 -0.202 0.000 1.187 559 N HN 0.634 nan 8.380 nan 0.000 0.507 560 T N 2.879 117.161 114.554 -0.452 0.000 3.035 560 T HA 0.170 4.519 4.350 -0.001 0.000 0.268 560 T C 0.665 175.328 174.700 -0.061 0.000 1.109 560 T CA 0.513 62.518 62.100 -0.158 0.000 1.119 560 T CB -0.226 68.684 68.868 0.070 0.000 0.900 560 T HN 0.413 nan 8.240 nan 0.000 0.503 561 L N 2.778 123.909 121.223 -0.153 0.000 2.395 561 L HA 0.321 4.660 4.340 -0.001 0.000 0.269 561 L C -1.600 175.131 176.870 -0.231 0.000 1.133 561 L CA -1.956 52.761 54.840 -0.205 0.000 0.812 561 L CB 0.693 42.498 42.059 -0.424 0.000 1.125 561 L HN -0.054 nan 8.230 nan 0.000 0.452 562 P HA 0.043 nan 4.420 nan 0.000 0.243 562 P C -0.906 176.432 177.300 0.062 0.000 1.668 562 P CA 0.341 63.442 63.100 0.001 0.000 0.898 562 P CB -0.349 31.405 31.700 0.092 0.000 1.637 563 H N -3.203 115.890 119.070 0.038 0.000 2.980 563 H HA 0.259 4.814 4.556 -0.001 0.000 0.367 563 H C -0.969 174.384 175.328 0.041 0.000 1.206 563 H CA -1.111 54.980 56.048 0.073 0.000 1.126 563 H CB 0.051 29.885 29.762 0.121 0.000 1.838 563 H HN -0.138 nan 8.280 nan 0.000 0.552 564 W N 1.587 123.005 121.300 0.196 0.000 2.257 564 W HA 0.221 4.880 4.660 -0.001 0.000 0.337 564 W C 0.884 177.513 176.519 0.183 0.000 1.321 564 W CA 0.460 57.883 57.345 0.131 0.000 1.267 564 W CB 0.419 29.940 29.460 0.102 0.000 1.187 564 W HN 0.499 nan 8.180 nan 0.000 0.565 565 R N 2.238 122.930 120.500 0.320 0.000 2.621 565 R HA 0.321 4.660 4.340 -0.001 0.000 0.284 565 R C -1.061 175.372 176.300 0.221 0.000 0.998 565 R CA -0.661 55.587 56.100 0.246 0.000 0.895 565 R CB 1.434 31.797 30.300 0.106 0.000 1.195 565 R HN 0.488 nan 8.270 nan 0.000 0.450 566 E N 2.411 122.719 120.200 0.181 0.000 2.183 566 E HA 0.244 4.594 4.350 -0.001 0.000 0.271 566 E C -1.320 175.327 176.600 0.078 0.000 0.919 566 E CA -0.770 55.714 56.400 0.140 0.000 0.781 566 E CB 2.431 32.210 29.700 0.131 0.000 1.140 566 E HN 0.393 nan 8.360 nan 0.000 0.402 567 Q N 3.262 123.083 119.800 0.036 0.000 2.320 567 Q HA 0.269 4.609 4.340 -0.001 0.000 0.272 567 Q C -1.475 174.479 176.000 -0.076 0.000 1.023 567 Q CA -0.632 55.160 55.803 -0.017 0.000 0.855 567 Q CB 1.508 30.226 28.738 -0.034 0.000 1.367 567 Q HN 0.560 nan 8.270 nan 0.000 0.406 568 L N 3.537 124.709 121.223 -0.084 0.000 2.455 568 L HA 0.291 4.630 4.340 -0.001 0.000 0.272 568 L C 0.240 176.972 176.870 -0.231 0.000 1.174 568 L CA -0.292 54.460 54.840 -0.148 0.000 0.869 568 L CB 0.574 42.584 42.059 -0.081 0.000 1.130 568 L HN 0.468 nan 8.230 nan 0.000 0.474 569 V N -0.218 119.452 119.914 -0.407 0.000 2.960 569 V HA 0.724 4.843 4.120 -0.001 0.000 0.315 569 V C -0.825 174.993 176.094 -0.461 0.000 1.087 569 V CA -0.855 61.165 62.300 -0.466 0.000 0.982 569 V CB 2.148 33.645 31.823 -0.543 0.000 1.039 569 V HN 0.785 nan 8.190 nan 0.000 0.437 570 D N 1.100 121.221 120.400 -0.464 0.000 2.601 570 D HA 0.628 5.267 4.640 -0.001 0.000 0.230 570 D C -1.375 174.616 176.300 -0.514 0.000 1.106 570 D CA -0.411 53.431 54.000 -0.263 0.000 0.873 570 D CB 2.342 43.083 40.800 -0.097 0.000 1.515 570 D HN 0.449 nan 8.370 nan 0.000 0.468 571 F N -0.208 119.800 119.950 0.096 0.000 2.599 571 F HA 0.355 4.881 4.527 -0.001 0.000 0.311 571 F C -0.611 175.350 175.800 0.269 0.000 1.076 571 F CA -1.030 57.042 58.000 0.119 0.000 0.937 571 F CB 1.594 40.709 39.000 0.192 0.000 1.282 571 F HN 0.145 nan 8.300 nan 0.000 0.460 572 Y N 2.140 122.596 120.300 0.260 0.000 2.316 572 Y HA 0.578 5.127 4.550 -0.001 0.000 0.331 572 Y C 0.195 176.213 175.900 0.196 0.000 1.083 572 Y CA -1.489 56.712 58.100 0.169 0.000 1.206 572 Y CB 1.006 39.518 38.460 0.086 0.000 1.195 572 Y HN 0.353 nan 8.280 nan 0.000 0.497 573 V N -0.388 119.722 119.914 0.327 0.000 3.040 573 V HA 0.568 4.687 4.120 -0.001 0.000 0.312 573 V C 0.422 176.657 176.094 0.235 0.000 1.115 573 V CA -0.670 61.786 62.300 0.260 0.000 0.998 573 V CB 1.665 33.638 31.823 0.250 0.000 1.042 573 V HN 0.660 nan 8.190 nan 0.000 0.433 574 S N 0.061 115.882 115.700 0.202 0.000 2.562 574 S HA 0.198 4.668 4.470 -0.001 0.000 0.221 574 S C 0.762 175.540 174.600 0.295 0.000 0.975 574 S CA 0.583 58.899 58.200 0.194 0.000 0.918 574 S CB -0.178 63.101 63.200 0.132 0.000 0.772 574 S HN 1.443 nan 8.310 nan 0.000 0.531 575 S N 1.113 116.973 115.700 0.266 0.000 2.546 575 S HA 0.605 5.075 4.470 -0.001 0.000 0.274 575 S C -2.693 171.797 174.600 -0.184 0.000 1.121 575 S CA -1.459 56.775 58.200 0.057 0.000 0.887 575 S CB 1.925 65.177 63.200 0.086 0.000 1.094 575 S HN 0.007 nan 8.310 nan 0.000 0.474 576 P HA 0.221 nan 4.420 nan 0.000 0.245 576 P C -0.293 176.750 177.300 -0.428 0.000 1.206 576 P CA 0.287 62.959 63.100 -0.714 0.000 0.781 576 P CB -0.202 30.804 31.700 -1.157 0.000 0.994 577 F N 0.537 120.504 119.950 0.029 0.000 2.441 577 F HA 0.262 4.788 4.527 -0.001 0.000 0.337 577 F C 0.414 176.259 175.800 0.075 0.000 1.182 577 F CA -1.043 57.001 58.000 0.072 0.000 1.279 577 F CB 0.057 39.057 39.000 -0.000 0.000 1.614 577 F HN -0.340 nan 8.300 nan 0.000 0.574 578 V N 0.982 121.014 119.914 0.196 0.000 2.656 578 V HA 0.578 4.697 4.120 -0.001 0.000 0.307 578 V C -0.216 175.940 176.094 0.104 0.000 1.051 578 V CA -0.908 61.471 62.300 0.132 0.000 0.893 578 V CB 2.274 34.165 31.823 0.113 0.000 0.999 578 V HN 0.494 nan 8.190 nan 0.000 0.426 579 S N 3.674 119.420 115.700 0.076 0.000 2.549 579 S HA 0.856 5.325 4.470 -0.001 0.000 0.297 579 S C -0.839 173.750 174.600 -0.018 0.000 1.115 579 S CA -0.694 57.535 58.200 0.050 0.000 1.059 579 S CB 1.935 65.176 63.200 0.068 0.000 1.046 579 S HN 0.439 nan 8.310 nan 0.000 0.506 580 V N 2.459 122.330 119.914 -0.071 0.000 2.555 580 V HA 0.787 4.906 4.120 -0.001 0.000 0.302 580 V C 0.245 176.264 176.094 -0.124 0.000 1.038 580 V CA -0.432 61.745 62.300 -0.205 0.000 0.887 580 V CB 1.628 33.148 31.823 -0.506 0.000 0.991 580 V HN 1.212 nan 8.190 nan 0.000 0.434 581 T N -0.391 114.112 114.554 -0.084 0.000 2.901 581 T HA 0.659 5.009 4.350 -0.001 0.000 0.293 581 T C -0.860 173.854 174.700 0.024 0.000 1.084 581 T CA -0.904 61.177 62.100 -0.033 0.000 1.008 581 T CB 2.091 70.931 68.868 -0.047 0.000 1.170 581 T HN 0.696 nan 8.240 nan 0.000 0.509 582 D N 0.163 120.539 120.400 -0.039 0.000 2.506 582 D HA 0.210 4.849 4.640 -0.001 0.000 0.272 582 D C 0.611 176.809 176.300 -0.170 0.000 1.214 582 D CA -1.293 52.563 54.000 -0.239 0.000 1.067 582 D CB 0.472 41.109 40.800 -0.271 0.000 1.117 582 D HN 0.530 nan 8.370 nan 0.000 0.578 583 L N -0.914 120.191 121.223 -0.196 0.000 2.672 583 L HA 0.351 4.690 4.340 -0.001 0.000 0.236 583 L C 0.998 177.813 176.870 -0.093 0.000 1.186 583 L CA 0.120 54.892 54.840 -0.114 0.000 0.977 583 L CB -0.451 41.549 42.059 -0.099 0.000 1.203 583 L HN 0.574 nan 8.230 nan 0.000 0.448 584 A N -0.676 122.091 122.820 -0.088 0.000 2.503 584 A HA 0.172 4.492 4.320 -0.001 0.000 0.263 584 A C 1.012 178.561 177.584 -0.057 0.000 1.258 584 A CA 0.184 52.181 52.037 -0.065 0.000 0.936 584 A CB -0.205 18.760 19.000 -0.058 0.000 1.070 584 A HN 0.567 nan 8.150 nan 0.000 0.522 585 N N 0.096 118.759 118.700 -0.062 0.000 2.782 585 N HA -0.139 4.600 4.740 -0.001 0.000 0.251 585 N C -1.018 174.462 175.510 -0.051 0.000 1.101 585 N CA 0.820 53.839 53.050 -0.052 0.000 0.764 585 N CB -1.744 36.718 38.487 -0.041 0.000 1.122 585 N HN 0.534 nan 8.380 nan 0.000 0.561 586 N N 1.191 119.857 118.700 -0.057 0.000 2.470 586 N HA 0.232 4.972 4.740 -0.001 0.000 0.268 586 N C -2.499 172.961 175.510 -0.084 0.000 1.136 586 N CA -0.798 52.214 53.050 -0.063 0.000 0.961 586 N CB 0.593 39.050 38.487 -0.050 0.000 1.067 586 N HN 0.236 nan 8.380 nan 0.000 0.468 587 P HA 0.033 nan 4.420 nan 0.000 0.266 587 P C -0.435 176.748 177.300 -0.195 0.000 1.195 587 P CA -0.018 62.938 63.100 -0.240 0.000 0.768 587 P CB 0.675 32.009 31.700 -0.610 0.000 0.838 588 V N 2.577 122.422 119.914 -0.114 0.000 2.487 588 V HA 0.220 4.339 4.120 -0.001 0.000 0.298 588 V C 0.418 176.515 176.094 0.005 0.000 1.028 588 V CA -0.839 61.448 62.300 -0.021 0.000 0.860 588 V CB 1.386 33.225 31.823 0.027 0.000 0.991 588 V HN 0.542 nan 8.190 nan 0.000 0.427 589 E N 3.131 123.366 120.200 0.059 0.000 2.415 589 E HA 0.456 4.805 4.350 -0.001 0.000 0.263 589 E C -0.183 176.493 176.600 0.127 0.000 0.995 589 E CA 0.144 56.609 56.400 0.109 0.000 0.915 589 E CB 0.805 30.572 29.700 0.111 0.000 0.951 589 E HN 0.899 nan 8.360 nan 0.000 0.449 590 A N 4.270 127.154 122.820 0.107 0.000 2.527 590 A HA 0.454 4.773 4.320 -0.001 0.000 0.293 590 A C -1.332 176.275 177.584 0.039 0.000 1.117 590 A CA -0.726 51.384 52.037 0.123 0.000 0.723 590 A CB 1.958 21.024 19.000 0.111 0.000 1.313 590 A HN 0.671 nan 8.150 nan 0.000 0.411 591 Q N 0.751 120.577 119.800 0.043 0.000 2.323 591 Q HA 0.637 4.976 4.340 -0.001 0.000 0.271 591 Q C -1.984 173.999 176.000 -0.029 0.000 1.048 591 Q CA -0.541 55.239 55.803 -0.037 0.000 0.792 591 Q CB 2.170 30.925 28.738 0.028 0.000 1.280 591 Q HN 0.590 nan 8.270 nan 0.000 0.441 592 V N 2.435 122.245 119.914 -0.172 0.000 2.547 592 V HA 0.627 4.746 4.120 -0.001 0.000 0.299 592 V C -0.438 175.799 176.094 0.239 0.000 1.040 592 V CA -0.306 62.001 62.300 0.012 0.000 0.913 592 V CB 1.855 33.632 31.823 -0.076 0.000 0.992 592 V HN 0.844 nan 8.190 nan 0.000 0.449 593 S N 4.284 120.157 115.700 0.288 0.000 2.595 593 S HA 0.660 5.129 4.470 -0.001 0.000 0.281 593 S C -2.799 171.803 174.600 0.004 0.000 1.117 593 S CA -1.039 57.294 58.200 0.223 0.000 0.873 593 S CB 2.508 65.810 63.200 0.169 0.000 1.108 593 S HN 0.532 nan 8.310 nan 0.000 0.477 594 P HA 0.237 nan 4.420 nan 0.000 0.273 594 P C -1.126 175.834 177.300 -0.566 0.000 1.250 594 P CA -0.499 62.184 63.100 -0.695 0.000 0.793 594 P CB 0.387 31.282 31.700 -1.341 0.000 1.011 595 V N 1.717 121.244 119.914 -0.646 0.000 2.334 595 V HA 0.169 4.288 4.120 -0.001 0.000 0.267 595 V C -0.514 175.281 176.094 -0.497 0.000 1.040 595 V CA -0.151 61.850 62.300 -0.497 0.000 0.866 595 V CB -0.565 30.870 31.823 -0.647 0.000 1.019 595 V HN 0.511 nan 8.190 nan 0.000 0.468 596 W N 3.723 124.955 121.300 -0.113 0.000 2.433 596 W HA 0.624 5.284 4.660 -0.001 0.000 0.315 596 W C 0.534 177.012 176.519 -0.067 0.000 1.087 596 W CA -0.353 56.919 57.345 -0.122 0.000 1.205 596 W CB 1.785 31.180 29.460 -0.108 0.000 1.288 596 W HN 0.594 nan 8.180 nan 0.000 0.504 597 S N 1.458 117.248 115.700 0.150 0.000 2.599 597 S HA 0.690 5.159 4.470 -0.001 0.000 0.294 597 S C -1.495 172.995 174.600 -0.184 0.000 1.094 597 S CA -0.950 57.287 58.200 0.061 0.000 0.931 597 S CB 1.509 64.742 63.200 0.054 0.000 1.093 597 S HN 0.436 nan 8.310 nan 0.000 0.488 598 W N 0.701 121.772 121.300 -0.380 0.000 2.666 598 W HA 0.603 5.262 4.660 -0.001 0.000 0.334 598 W C -0.058 176.010 176.519 -0.751 0.000 1.051 598 W CA -0.253 56.870 57.345 -0.371 0.000 1.224 598 W CB 1.391 30.738 29.460 -0.187 0.000 1.405 598 W HN 0.649 nan 8.180 nan 0.000 0.513 599 H N 1.328 120.456 119.070 0.096 0.000 2.865 599 H HA 0.099 4.654 4.556 -0.001 0.000 0.362 599 H C -1.118 174.218 175.328 0.013 0.000 1.114 599 H CA -0.912 55.136 56.048 0.002 0.000 1.208 599 H CB 1.894 31.592 29.762 -0.106 0.000 1.727 599 H HN 0.353 nan 8.280 nan 0.000 0.534 600 H N 2.453 121.553 119.070 0.050 0.000 3.067 600 H HA 0.025 4.580 4.556 -0.001 0.000 0.265 600 H C -0.468 174.868 175.328 0.014 0.000 1.234 600 H CA -0.399 55.664 56.048 0.024 0.000 1.452 600 H CB -0.216 29.561 29.762 0.024 0.000 1.527 600 H HN 0.451 nan 8.280 nan 0.000 0.486 601 D N 3.760 124.191 120.400 0.053 0.000 2.455 601 D HA -0.055 4.584 4.640 -0.001 0.000 0.234 601 D C 1.234 177.494 176.300 -0.067 0.000 1.224 601 D CA 0.259 54.246 54.000 -0.021 0.000 0.999 601 D CB 0.137 40.972 40.800 0.058 0.000 1.072 601 D HN 0.744 nan 8.370 nan 0.000 0.514 602 T N 0.842 115.272 114.554 -0.207 0.000 2.996 602 T HA -0.157 4.192 4.350 -0.001 0.000 0.271 602 T C 1.764 176.413 174.700 -0.085 0.000 1.126 602 T CA 0.460 62.420 62.100 -0.234 0.000 1.103 602 T CB -0.001 68.735 68.868 -0.220 0.000 0.870 602 T HN 0.264 nan 8.240 nan 0.000 0.528 603 L N 1.800 123.003 121.223 -0.034 0.000 2.102 603 L HA 0.092 4.431 4.340 -0.001 0.000 0.202 603 L C 2.992 179.877 176.870 0.025 0.000 1.076 603 L CA 2.160 56.998 54.840 -0.002 0.000 0.761 603 L CB -1.625 40.437 42.059 0.006 0.000 0.921 603 L HN 0.612 nan 8.230 nan 0.000 0.444 604 T N -4.901 109.688 114.554 0.059 0.000 3.060 604 T HA 0.047 4.396 4.350 -0.001 0.000 0.249 604 T C 0.858 175.618 174.700 0.101 0.000 1.079 604 T CA -0.205 61.944 62.100 0.081 0.000 1.013 604 T CB 0.288 69.226 68.868 0.116 0.000 0.975 604 T HN 0.039 nan 8.240 nan 0.000 0.518 605 K N 1.863 122.326 120.400 0.105 0.000 3.230 605 K HA -0.120 4.199 4.320 -0.001 0.000 0.285 605 K C 0.120 176.841 176.600 0.202 0.000 1.196 605 K CA 1.293 57.669 56.287 0.148 0.000 0.838 605 K CB -2.786 29.778 32.500 0.108 0.000 1.262 605 K HN 0.864 nan 8.250 nan 0.000 0.492 606 T N -2.391 112.309 114.554 0.244 0.000 2.932 606 T HA 0.793 5.143 4.350 -0.001 0.000 0.289 606 T C 0.507 175.381 174.700 0.289 0.000 1.039 606 T CA -1.030 61.226 62.100 0.260 0.000 1.024 606 T CB 2.191 71.235 68.868 0.293 0.000 1.090 606 T HN 0.134 nan 8.240 nan 0.000 0.496 607 I N 3.395 124.107 120.570 0.237 0.000 2.312 607 I HA 0.472 4.642 4.170 -0.001 0.000 0.290 607 I C -0.189 176.184 176.117 0.426 0.000 1.008 607 I CA -0.566 60.882 61.300 0.247 0.000 1.226 607 I CB 0.307 38.383 38.000 0.127 0.000 1.371 607 I HN 0.896 nan 8.210 nan 0.000 0.468 608 H N 6.446 125.714 119.070 0.329 0.000 3.016 608 H HA 0.675 5.230 4.556 -0.001 0.000 0.362 608 H C -3.218 171.894 175.328 -0.360 0.000 1.233 608 H CA -2.492 53.576 56.048 0.034 0.000 1.124 608 H CB 1.652 31.424 29.762 0.017 0.000 1.850 608 H HN 0.128 nan 8.280 nan 0.000 0.549 609 P HA 0.253 nan 4.420 nan 0.000 0.282 609 P C -1.027 176.284 177.300 0.018 0.000 1.259 609 P CA -0.615 61.973 63.100 -0.854 0.000 0.826 609 P CB 1.628 32.481 31.700 -1.411 0.000 1.064 610 Q N 0.139 120.044 119.800 0.176 0.000 2.347 610 Q HA 0.547 4.886 4.340 -0.001 0.000 0.271 610 Q C -0.081 176.028 176.000 0.182 0.000 1.064 610 Q CA -0.580 55.368 55.803 0.242 0.000 0.800 610 Q CB 2.906 31.733 28.738 0.148 0.000 1.304 610 Q HN 0.612 nan 8.270 nan 0.000 0.438 611 G N 0.619 109.384 108.800 -0.058 0.000 2.389 611 G HA2 0.352 4.312 3.960 -0.001 0.000 0.317 611 G HA3 0.352 4.312 3.960 -0.001 0.000 0.317 611 G C -0.300 174.349 174.900 -0.419 0.000 1.137 611 G CA -0.281 44.438 45.100 -0.635 0.000 0.870 611 G HN 0.402 nan 8.290 nan 0.000 0.496 612 S N -0.619 114.779 115.700 -0.503 0.000 2.576 612 S HA 0.317 4.786 4.470 -0.001 0.000 0.276 612 S C 1.528 175.885 174.600 -0.405 0.000 1.339 612 S CA 0.273 58.222 58.200 -0.417 0.000 1.039 612 S CB 0.736 63.631 63.200 -0.509 0.000 0.902 612 S HN 0.914 nan 8.310 nan 0.000 0.516 613 T N -0.134 114.254 114.554 -0.278 0.000 3.092 613 T HA 0.177 4.526 4.350 -0.001 0.000 0.258 613 T C 1.056 175.654 174.700 -0.170 0.000 1.031 613 T CA 0.405 62.407 62.100 -0.165 0.000 0.925 613 T CB -0.176 68.648 68.868 -0.073 0.000 1.036 613 T HN 0.694 nan 8.240 nan 0.000 0.544 614 T N -1.456 112.891 114.554 -0.344 0.000 2.993 614 T HA 0.330 4.679 4.350 -0.001 0.000 0.260 614 T C 0.250 174.697 174.700 -0.421 0.000 0.939 614 T CA -0.476 61.468 62.100 -0.260 0.000 0.886 614 T CB 0.200 68.979 68.868 -0.148 0.000 1.209 614 T HN 0.633 nan 8.240 nan 0.000 0.518 615 K N -0.104 119.808 120.400 -0.813 0.000 2.509 615 K HA 0.674 4.993 4.320 -0.001 0.000 0.266 615 K C -2.027 173.806 176.600 -1.278 0.000 0.987 615 K CA -1.044 54.764 56.287 -0.798 0.000 0.868 615 K CB 1.655 33.896 32.500 -0.432 0.000 1.421 615 K HN 0.138 nan 8.250 nan 0.000 0.444 616 Y N -0.443 119.765 120.300 -0.154 0.000 2.609 616 Y HA 0.483 5.032 4.550 -0.001 0.000 0.342 616 Y C -0.510 175.381 175.900 -0.016 0.000 1.058 616 Y CA -1.200 56.832 58.100 -0.113 0.000 1.055 616 Y CB 2.193 40.652 38.460 -0.002 0.000 1.292 616 Y HN 0.341 nan 8.280 nan 0.000 0.476 617 R N 1.570 122.184 120.500 0.190 0.000 2.338 617 R HA 0.611 4.950 4.340 -0.001 0.000 0.317 617 R C -1.370 175.087 176.300 0.262 0.000 0.968 617 R CA -0.677 55.584 56.100 0.269 0.000 0.849 617 R CB 1.955 32.394 30.300 0.232 0.000 1.128 617 R HN 0.654 nan 8.270 nan 0.000 0.448 618 I N 4.095 124.847 120.570 0.304 0.000 2.404 618 I HA 0.432 4.602 4.170 -0.001 0.000 0.293 618 I C -1.067 175.239 176.117 0.316 0.000 0.992 618 I CA -0.758 60.714 61.300 0.287 0.000 1.149 618 I CB 1.048 39.230 38.000 0.302 0.000 1.315 618 I HN 0.539 nan 8.210 nan 0.000 0.446 619 I N 8.123 128.846 120.570 0.255 0.000 2.545 619 I HA 0.538 4.708 4.170 -0.001 0.000 0.292 619 I C -1.031 175.239 176.117 0.255 0.000 1.040 619 I CA -0.511 60.886 61.300 0.162 0.000 1.068 619 I CB 1.722 39.775 38.000 0.088 0.000 1.251 619 I HN 0.512 nan 8.210 nan 0.000 0.424 620 F N 2.587 122.563 119.950 0.043 0.000 2.713 620 F HA 0.556 5.082 4.527 -0.001 0.000 0.311 620 F C -1.123 174.662 175.800 -0.025 0.000 1.141 620 F CA -1.302 56.702 58.000 0.007 0.000 0.939 620 F CB 1.284 40.277 39.000 -0.012 0.000 1.325 620 F HN 0.208 nan 8.300 nan 0.000 0.453 621 K N 1.960 122.445 120.400 0.143 0.000 2.285 621 K HA 0.738 5.057 4.320 -0.001 0.000 0.286 621 K C -0.639 176.008 176.600 0.079 0.000 1.072 621 K CA -0.351 55.962 56.287 0.042 0.000 0.913 621 K CB 0.835 33.395 32.500 0.101 0.000 1.067 621 K HN 0.933 nan 8.250 nan 0.000 0.479 622 A N 4.613 127.384 122.820 -0.082 0.000 2.310 622 A HA 0.406 4.725 4.320 -0.001 0.000 0.299 622 A C -0.631 177.088 177.584 0.225 0.000 1.147 622 A CA -0.680 51.372 52.037 0.025 0.000 0.818 622 A CB 0.682 19.647 19.000 -0.060 0.000 1.096 622 A HN 0.880 nan 8.150 nan 0.000 0.495 623 R N 1.973 122.730 120.500 0.428 0.000 2.393 623 R HA 0.621 4.960 4.340 -0.001 0.000 0.315 623 R C -1.931 174.637 176.300 0.446 0.000 0.952 623 R CA -0.255 56.083 56.100 0.397 0.000 0.842 623 R CB 1.374 31.896 30.300 0.371 0.000 1.163 623 R HN 0.493 nan 8.270 nan 0.000 0.450 624 V N 6.046 126.167 119.914 0.345 0.000 2.709 624 V HA 0.450 4.569 4.120 -0.001 0.000 0.308 624 V C -2.290 173.672 176.094 -0.220 0.000 1.062 624 V CA -2.290 60.096 62.300 0.144 0.000 0.901 624 V CB 1.953 33.839 31.823 0.105 0.000 1.003 624 V HN 0.798 nan 8.190 nan 0.000 0.425 625 P HA 0.221 nan 4.420 nan 0.000 0.271 625 P C -2.752 174.044 177.300 -0.840 0.000 1.233 625 P CA -1.375 60.803 63.100 -1.537 0.000 0.789 625 P CB -0.243 30.790 31.700 -1.111 0.000 0.951 626 P HA 0.094 nan 4.420 nan 0.000 0.267 626 P C 0.075 177.334 177.300 -0.069 0.000 1.205 626 P CA 0.564 63.472 63.100 -0.320 0.000 0.765 626 P CB -0.249 31.340 31.700 -0.185 0.000 0.828 627 M N 0.483 120.080 119.600 -0.005 0.000 2.253 627 M HA -0.215 4.264 4.480 -0.001 0.000 0.199 627 M C 0.570 177.060 176.300 0.318 0.000 0.342 627 M CA 0.999 56.431 55.300 0.220 0.000 0.417 627 M CB -2.046 30.783 32.600 0.381 0.000 1.338 627 M HN 0.584 nan 8.290 nan 0.000 0.920 628 G N -0.252 108.593 108.800 0.075 0.000 3.022 628 G HA2 0.935 4.894 3.960 -0.001 0.000 0.284 628 G HA3 0.935 4.894 3.960 -0.001 0.000 0.284 628 G C -1.408 173.605 174.900 0.187 0.000 1.375 628 G CA -0.990 44.134 45.100 0.039 0.000 0.902 628 G HN 0.180 nan 8.290 nan 0.000 0.538 629 L N -0.472 120.849 121.223 0.164 0.000 2.409 629 L HA 0.801 5.140 4.340 -0.001 0.000 0.262 629 L C -0.234 176.728 176.870 0.155 0.000 0.992 629 L CA -1.029 53.940 54.840 0.216 0.000 0.817 629 L CB 2.472 44.659 42.059 0.212 0.000 1.350 629 L HN 0.773 nan 8.230 nan 0.000 0.411 630 A N 0.788 123.745 122.820 0.227 0.000 2.422 630 A HA 0.812 5.132 4.320 -0.001 0.000 0.302 630 A C -0.784 176.966 177.584 0.276 0.000 1.041 630 A CA -0.455 51.707 52.037 0.208 0.000 0.708 630 A CB 1.742 20.913 19.000 0.285 0.000 1.257 630 A HN 0.555 nan 8.150 nan 0.000 0.414 631 T N 2.220 116.846 114.554 0.120 0.000 2.795 631 T HA 0.622 4.971 4.350 -0.001 0.000 0.282 631 T C -1.037 173.652 174.700 -0.018 0.000 0.980 631 T CA 0.288 62.518 62.100 0.216 0.000 1.012 631 T CB 0.258 69.238 68.868 0.186 0.000 0.936 631 T HN 0.431 nan 8.240 nan 0.000 0.457 632 Y N 0.588 121.045 120.300 0.262 0.000 2.598 632 Y HA 0.683 5.232 4.550 -0.001 0.000 0.340 632 Y C -0.204 175.736 175.900 0.066 0.000 1.038 632 Y CA -1.138 57.037 58.100 0.126 0.000 1.100 632 Y CB 1.648 40.167 38.460 0.099 0.000 1.281 632 Y HN 0.293 nan 8.280 nan 0.000 0.488 633 V N 3.121 123.095 119.914 0.099 0.000 2.588 633 V HA 0.422 4.541 4.120 -0.001 0.000 0.304 633 V C -0.747 175.305 176.094 -0.069 0.000 1.042 633 V CA -0.971 61.307 62.300 -0.037 0.000 0.877 633 V CB 1.742 33.485 31.823 -0.133 0.000 0.996 633 V HN 0.498 nan 8.190 nan 0.000 0.425 634 L N 3.861 125.046 121.223 -0.063 0.000 2.295 634 L HA 0.699 5.039 4.340 -0.001 0.000 0.285 634 L C -0.057 176.803 176.870 -0.016 0.000 1.035 634 L CA -0.133 54.679 54.840 -0.046 0.000 0.806 634 L CB 1.805 43.852 42.059 -0.021 0.000 1.214 634 L HN 0.597 nan 8.230 nan 0.000 0.426 635 T N 3.544 118.099 114.554 0.002 0.000 2.848 635 T HA 0.459 4.808 4.350 -0.001 0.000 0.285 635 T C -0.232 174.501 174.700 0.055 0.000 0.995 635 T CA -0.388 61.724 62.100 0.020 0.000 0.970 635 T CB 2.274 71.145 68.868 0.005 0.000 0.976 635 T HN 0.368 nan 8.240 nan 0.000 0.441 636 I N 3.023 123.634 120.570 0.068 0.000 2.764 636 I HA 0.518 4.687 4.170 -0.001 0.000 0.294 636 I C 0.278 176.450 176.117 0.091 0.000 1.045 636 I CA 0.236 61.595 61.300 0.099 0.000 1.340 636 I CB 0.765 38.825 38.000 0.101 0.000 1.436 636 I HN 0.833 nan 8.210 nan 0.000 0.567 637 S N 2.426 118.199 115.700 0.122 0.000 2.651 637 S HA 0.363 4.833 4.470 -0.001 0.000 0.279 637 S C -0.279 174.349 174.600 0.045 0.000 1.148 637 S CA -0.580 57.664 58.200 0.072 0.000 0.837 637 S CB 1.585 64.823 63.200 0.064 0.000 1.138 637 S HN 0.667 nan 8.310 nan 0.000 0.478 638 D N 0.249 120.619 120.400 -0.049 0.000 2.348 638 D HA 0.174 4.814 4.640 -0.001 0.000 0.211 638 D C 0.899 176.954 176.300 -0.408 0.000 0.998 638 D CA 0.562 54.481 54.000 -0.134 0.000 0.873 638 D CB -0.135 40.605 40.800 -0.100 0.000 0.925 638 D HN 0.626 nan 8.370 nan 0.000 0.524 639 S N -1.534 113.911 115.700 -0.425 0.000 2.720 639 S HA 0.414 4.883 4.470 -0.001 0.000 0.287 639 S C -0.613 173.764 174.600 -0.370 0.000 1.168 639 S CA -1.255 56.565 58.200 -0.633 0.000 0.832 639 S CB 1.445 64.441 63.200 -0.339 0.000 1.166 639 S HN -0.090 nan 8.310 nan 0.000 0.493 640 K N 1.958 122.218 120.400 -0.233 0.000 2.419 640 K HA 0.231 4.551 4.320 -0.001 0.000 0.282 640 K C -2.398 174.278 176.600 0.127 0.000 1.056 640 K CA -0.823 55.550 56.287 0.142 0.000 1.035 640 K CB -0.442 32.133 32.500 0.125 0.000 0.921 640 K HN 0.384 nan 8.250 nan 0.000 0.472 641 P HA -0.036 nan 4.420 nan 0.000 0.272 641 P C 0.598 177.933 177.300 0.057 0.000 1.223 641 P CA -0.228 62.942 63.100 0.116 0.000 0.784 641 P CB 0.659 32.447 31.700 0.145 0.000 0.923 642 E N 0.977 121.162 120.200 -0.026 0.000 2.118 642 E HA -0.233 4.117 4.350 -0.001 0.000 0.195 642 E C 0.401 176.810 176.600 -0.318 0.000 0.992 642 E CA 1.168 57.444 56.400 -0.206 0.000 0.804 642 E CB -0.014 29.472 29.700 -0.357 0.000 0.741 642 E HN 0.502 nan 8.360 nan 0.000 0.458 643 H N -0.750 118.343 119.070 0.039 0.000 2.486 643 H HA 0.233 4.788 4.556 -0.001 0.000 0.284 643 H C -0.489 174.847 175.328 0.013 0.000 1.103 643 H CA 0.056 56.121 56.048 0.028 0.000 1.089 643 H CB 0.823 30.600 29.762 0.024 0.000 1.603 643 H HN -0.068 nan 8.280 nan 0.000 0.557 644 T N 1.711 116.307 114.554 0.071 0.000 2.809 644 T HA 0.293 4.642 4.350 -0.001 0.000 0.284 644 T C 0.368 174.980 174.700 -0.148 0.000 0.992 644 T CA -0.675 61.399 62.100 -0.043 0.000 0.957 644 T CB 2.061 70.898 68.868 -0.052 0.000 0.942 644 T HN 0.289 nan 8.240 nan 0.000 0.439 645 S N 2.526 118.096 115.700 -0.218 0.000 2.722 645 S HA 0.773 5.242 4.470 -0.001 0.000 0.292 645 S C -1.275 172.996 174.600 -0.548 0.000 1.135 645 S CA -0.787 57.297 58.200 -0.192 0.000 1.003 645 S CB 0.812 63.998 63.200 -0.024 0.000 1.067 645 S HN 0.565 nan 8.310 nan 0.000 0.546 646 Y N -0.084 120.237 120.300 0.034 0.000 2.376 646 Y HA 0.642 5.192 4.550 -0.001 0.000 0.340 646 Y C 0.574 176.545 175.900 0.118 0.000 0.965 646 Y CA -0.768 57.349 58.100 0.027 0.000 1.078 646 Y CB 1.712 40.067 38.460 -0.175 0.000 1.193 646 Y HN 1.030 nan 8.280 nan 0.000 0.452 647 A N 1.999 125.014 122.820 0.325 0.000 2.407 647 A HA 0.480 4.799 4.320 -0.001 0.000 0.248 647 A C 0.267 178.048 177.584 0.328 0.000 1.082 647 A CA -0.321 51.886 52.037 0.284 0.000 0.785 647 A CB -0.091 19.060 19.000 0.253 0.000 1.020 647 A HN 0.765 nan 8.150 nan 0.000 0.489 648 S N 2.232 118.058 115.700 0.210 0.000 2.632 648 S HA 0.516 4.985 4.470 -0.001 0.000 0.271 648 S C -0.313 174.376 174.600 0.148 0.000 1.260 648 S CA -0.852 57.456 58.200 0.179 0.000 1.010 648 S CB 0.701 63.965 63.200 0.108 0.000 0.965 648 S HN 0.693 nan 8.310 nan 0.000 0.534 649 N N 0.500 119.267 118.700 0.112 0.000 2.260 649 N HA 0.521 5.260 4.740 -0.001 0.000 0.293 649 N C -1.928 173.516 175.510 -0.110 0.000 1.058 649 N CA -0.540 52.529 53.050 0.032 0.000 0.824 649 N CB 2.047 40.640 38.487 0.176 0.000 1.551 649 N HN 0.603 nan 8.380 nan 0.000 0.475 650 L N 2.279 123.384 121.223 -0.197 0.000 2.409 650 L HA 0.511 4.850 4.340 -0.001 0.000 0.272 650 L C -1.665 175.014 176.870 -0.319 0.000 0.980 650 L CA -0.588 54.102 54.840 -0.250 0.000 0.826 650 L CB 1.682 43.656 42.059 -0.142 0.000 1.268 650 L HN 0.414 nan 8.230 nan 0.000 0.407 651 L N 6.815 127.781 121.223 -0.428 0.000 2.276 651 L HA 0.484 4.823 4.340 -0.001 0.000 0.286 651 L C -1.323 175.485 176.870 -0.104 0.000 1.024 651 L CA -0.385 54.265 54.840 -0.317 0.000 0.826 651 L CB 1.187 43.009 42.059 -0.396 0.000 1.211 651 L HN 0.688 nan 8.230 nan 0.000 0.422 652 L N 7.202 128.393 121.223 -0.053 0.000 2.265 652 L HA 0.590 4.929 4.340 -0.001 0.000 0.289 652 L C -0.017 176.882 176.870 0.047 0.000 1.033 652 L CA -0.427 54.421 54.840 0.013 0.000 0.814 652 L CB 0.856 42.916 42.059 0.002 0.000 1.203 652 L HN 0.634 nan 8.230 nan 0.000 0.423 653 R N 2.013 122.557 120.500 0.073 0.000 2.728 653 R HA 0.399 4.739 4.340 -0.001 0.000 0.259 653 R C -1.646 174.693 176.300 0.065 0.000 1.057 653 R CA -1.087 55.056 56.100 0.071 0.000 0.908 653 R CB 1.242 31.588 30.300 0.077 0.000 1.259 653 R HN 0.227 nan 8.270 nan 0.000 0.472 654 K N 1.561 121.991 120.400 0.050 0.000 2.258 654 K HA 0.075 4.394 4.320 -0.001 0.000 0.264 654 K C -0.082 176.532 176.600 0.024 0.000 1.007 654 K CA -0.313 55.995 56.287 0.036 0.000 0.941 654 K CB 0.280 32.799 32.500 0.032 0.000 0.966 654 K HN 0.815 nan 8.250 nan 0.000 0.480 655 N N 0.836 119.539 118.700 0.006 0.000 2.746 655 N HA -0.104 4.635 4.740 -0.001 0.000 0.250 655 N C -2.583 172.900 175.510 -0.046 0.000 1.055 655 N CA 0.094 53.132 53.050 -0.020 0.000 0.699 655 N CB -0.786 37.695 38.487 -0.011 0.000 0.919 655 N HN 0.414 nan 8.380 nan 0.000 0.548 656 P HA 0.233 nan 4.420 nan 0.000 0.274 656 P C -0.237 176.907 177.300 -0.260 0.000 1.231 656 P CA 0.033 63.065 63.100 -0.114 0.000 0.790 656 P CB 0.916 32.555 31.700 -0.102 0.000 0.951 657 T N -2.253 112.136 114.554 -0.275 0.000 2.916 657 T HA 0.492 4.841 4.350 -0.001 0.000 0.292 657 T C 0.278 174.775 174.700 -0.338 0.000 1.055 657 T CA -0.778 61.149 62.100 -0.289 0.000 1.009 657 T CB 0.802 69.569 68.868 -0.168 0.000 1.118 657 T HN 0.473 nan 8.240 nan 0.000 0.497 658 S N 0.898 116.438 115.700 -0.267 0.000 2.580 658 S HA 0.395 4.864 4.470 -0.001 0.000 0.266 658 S C -0.129 174.560 174.600 0.149 0.000 1.354 658 S CA -0.778 57.370 58.200 -0.086 0.000 1.008 658 S CB -0.260 62.917 63.200 -0.038 0.000 0.898 658 S HN 0.702 nan 8.310 nan 0.000 0.555 659 L N 2.211 123.638 121.223 0.340 0.000 2.470 659 L HA 0.384 4.723 4.340 -0.001 0.000 0.253 659 L C -2.365 174.619 176.870 0.189 0.000 1.163 659 L CA -1.730 53.283 54.840 0.287 0.000 0.932 659 L CB 1.612 43.926 42.059 0.424 0.000 1.213 659 L HN 0.597 nan 8.230 nan 0.000 0.485 660 P HA 0.226 nan 4.420 nan 0.000 0.274 660 P C -0.140 177.160 177.300 0.001 0.000 1.231 660 P CA -0.216 62.922 63.100 0.064 0.000 0.790 660 P CB 1.638 33.363 31.700 0.043 0.000 0.951 661 L N 0.895 122.131 121.223 0.021 0.000 3.313 661 L HA 0.301 4.640 4.340 -0.001 0.000 0.320 661 L C 1.323 178.268 176.870 0.124 0.000 1.304 661 L CA -0.112 54.717 54.840 -0.018 0.000 0.920 661 L CB 0.108 42.131 42.059 -0.061 0.000 1.357 661 L HN 0.737 nan 8.230 nan 0.000 0.602 662 G N 0.767 109.623 108.800 0.093 0.000 2.596 662 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.304 662 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.304 662 G C 0.573 175.566 174.900 0.155 0.000 1.189 662 G CA 0.675 45.860 45.100 0.143 0.000 0.986 662 G HN 0.421 nan 8.290 nan 0.000 0.548 663 Q N -0.447 119.460 119.800 0.178 0.000 2.451 663 Q HA 0.174 4.513 4.340 -0.001 0.000 0.206 663 Q C 0.646 176.545 176.000 -0.168 0.000 0.947 663 Q CA -0.045 55.755 55.803 -0.004 0.000 0.937 663 Q CB 0.232 28.904 28.738 -0.111 0.000 1.025 663 Q HN 0.484 nan 8.270 nan 0.000 0.511 664 Y N 3.254 123.419 120.300 -0.225 0.000 2.805 664 Y HA -0.060 4.489 4.550 -0.001 0.000 0.331 664 Y C -1.378 174.415 175.900 -0.177 0.000 1.241 664 Y CA -1.397 56.543 58.100 -0.266 0.000 1.546 664 Y CB 0.826 39.257 38.460 -0.049 0.000 1.248 664 Y HN 0.084 nan 8.280 nan 0.000 0.559 665 P HA -0.068 nan 4.420 nan 0.000 0.233 665 P C -0.403 176.742 177.300 -0.260 0.000 1.167 665 P CA 0.810 63.660 63.100 -0.416 0.000 0.770 665 P CB 0.493 31.855 31.700 -0.563 0.000 0.837 666 E N 0.873 120.936 120.200 -0.228 0.000 2.158 666 E HA 0.248 4.597 4.350 -0.001 0.000 0.271 666 E C -0.736 175.990 176.600 0.209 0.000 0.911 666 E CA -0.690 55.729 56.400 0.032 0.000 0.767 666 E CB 0.472 30.237 29.700 0.108 0.000 1.120 666 E HN -0.111 nan 8.360 nan 0.000 0.405 667 D N 2.139 122.625 120.400 0.144 0.000 2.345 667 D HA 0.098 4.737 4.640 -0.001 0.000 0.247 667 D C -0.077 176.315 176.300 0.153 0.000 1.108 667 D CA -0.232 53.866 54.000 0.162 0.000 0.894 667 D CB 1.087 41.968 40.800 0.135 0.000 1.203 667 D HN 0.149 nan 8.370 nan 0.000 0.430 668 V N 3.205 123.207 119.914 0.146 0.000 2.740 668 V HA -0.013 4.107 4.120 -0.001 0.000 0.303 668 V C 0.941 176.945 176.094 -0.149 0.000 1.054 668 V CA 0.111 62.401 62.300 -0.018 0.000 1.106 668 V CB 0.415 32.199 31.823 -0.065 0.000 0.957 668 V HN 0.300 nan 8.190 nan 0.000 0.486 669 K N 3.317 123.540 120.400 -0.294 0.000 2.123 669 K HA 0.654 4.973 4.320 -0.001 0.000 0.248 669 K C -1.114 175.125 176.600 -0.601 0.000 0.969 669 K CA -0.365 55.795 56.287 -0.211 0.000 0.882 669 K CB 1.796 34.257 32.500 -0.065 0.000 1.080 669 K HN 0.416 nan 8.250 nan 0.000 0.441 670 F N -0.907 119.050 119.950 0.012 0.000 2.588 670 F HA 0.619 5.145 4.527 -0.001 0.000 0.314 670 F C 0.531 176.331 175.800 0.000 0.000 1.069 670 F CA -0.677 57.321 58.000 -0.003 0.000 0.931 670 F CB 2.629 41.626 39.000 -0.005 0.000 1.260 670 F HN 0.610 nan 8.300 nan 0.000 0.465 671 G N 0.491 109.390 108.800 0.164 0.000 2.698 671 G HA2 0.423 4.382 3.960 -0.001 0.000 0.293 671 G HA3 0.423 4.382 3.960 -0.001 0.000 0.293 671 G C -2.026 172.924 174.900 0.083 0.000 1.437 671 G CA -0.836 44.321 45.100 0.096 0.000 0.852 671 G HN 0.384 nan 8.290 nan 0.000 0.499 672 D N 0.766 121.204 120.400 0.062 0.000 2.362 672 D HA 0.315 4.955 4.640 -0.001 0.000 0.242 672 D C -2.056 174.271 176.300 0.045 0.000 1.132 672 D CA -0.615 53.416 54.000 0.052 0.000 0.907 672 D CB 1.087 41.912 40.800 0.042 0.000 1.195 672 D HN -0.021 nan 8.370 nan 0.000 0.429 673 P HA -0.005 nan 4.420 nan 0.000 0.261 673 P C -0.382 176.942 177.300 0.041 0.000 1.173 673 P CA 0.612 63.738 63.100 0.043 0.000 0.760 673 P CB 0.348 32.076 31.700 0.047 0.000 0.783 674 R N 0.940 121.465 120.500 0.041 0.000 2.710 674 R HA 0.442 4.781 4.340 -0.001 0.000 0.270 674 R C -1.030 175.302 176.300 0.052 0.000 1.021 674 R CA -1.046 55.080 56.100 0.042 0.000 0.889 674 R CB 1.210 31.531 30.300 0.035 0.000 1.243 674 R HN 0.204 nan 8.270 nan 0.000 0.464 675 E N 1.591 121.822 120.200 0.053 0.000 2.452 675 E HA 0.142 4.491 4.350 -0.001 0.000 0.261 675 E C -0.072 176.569 176.600 0.068 0.000 0.987 675 E CA 0.321 56.761 56.400 0.065 0.000 0.926 675 E CB 0.629 30.355 29.700 0.043 0.000 0.934 675 E HN 0.444 nan 8.360 nan 0.000 0.452 676 I N -1.574 119.063 120.570 0.112 0.000 2.865 676 I HA 0.554 4.723 4.170 -0.001 0.000 0.302 676 I C -0.631 175.600 176.117 0.189 0.000 1.140 676 I CA -0.766 60.600 61.300 0.110 0.000 1.021 676 I CB 2.422 40.460 38.000 0.064 0.000 1.233 676 I HN 0.187 nan 8.210 nan 0.000 0.427 677 S N 4.088 119.873 115.700 0.142 0.000 2.542 677 S HA 0.869 5.339 4.470 -0.001 0.000 0.293 677 S C -1.023 173.672 174.600 0.159 0.000 1.089 677 S CA -0.585 57.712 58.200 0.163 0.000 0.961 677 S CB 1.121 64.364 63.200 0.071 0.000 1.062 677 S HN 0.621 nan 8.310 nan 0.000 0.483 678 L N 3.049 124.397 121.223 0.209 0.000 2.393 678 L HA 0.700 5.039 4.340 -0.001 0.000 0.260 678 L C -0.414 176.541 176.870 0.141 0.000 1.002 678 L CA -0.776 54.159 54.840 0.157 0.000 0.818 678 L CB 2.362 44.517 42.059 0.161 0.000 1.369 678 L HN 0.605 nan 8.230 nan 0.000 0.412 679 R N 1.533 122.094 120.500 0.102 0.000 2.510 679 R HA 0.639 4.978 4.340 -0.001 0.000 0.287 679 R C -2.023 174.320 176.300 0.073 0.000 1.084 679 R CA -0.480 55.672 56.100 0.087 0.000 0.934 679 R CB 2.173 32.518 30.300 0.075 0.000 1.201 679 R HN 0.405 nan 8.270 nan 0.000 0.431 680 V N 4.812 124.768 119.914 0.070 0.000 2.427 680 V HA 0.583 4.702 4.120 -0.001 0.000 0.286 680 V C 1.087 177.212 176.094 0.052 0.000 1.034 680 V CA 0.634 62.970 62.300 0.060 0.000 0.893 680 V CB 0.978 32.837 31.823 0.061 0.000 0.982 680 V HN 1.115 nan 8.190 nan 0.000 0.452 681 G N 5.198 114.027 108.800 0.049 0.000 2.566 681 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.280 681 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.280 681 G C 0.563 175.486 174.900 0.038 0.000 1.225 681 G CA 0.492 45.618 45.100 0.042 0.000 0.966 681 G HN 0.672 nan 8.290 nan 0.000 0.560 682 N N 2.342 121.062 118.700 0.032 0.000 2.461 682 N HA 0.147 4.887 4.740 -0.001 0.000 0.188 682 N C 1.267 176.791 175.510 0.023 0.000 1.134 682 N CA 1.170 54.236 53.050 0.025 0.000 0.878 682 N CB 0.069 38.568 38.487 0.020 0.000 0.972 682 N HN 0.833 nan 8.380 nan 0.000 0.456 683 G N 1.410 110.228 108.800 0.030 0.000 2.543 683 G HA2 0.311 4.270 3.960 -0.001 0.000 0.267 683 G HA3 0.311 4.270 3.960 -0.001 0.000 0.267 683 G C -2.473 172.444 174.900 0.028 0.000 1.406 683 G CA -0.743 44.373 45.100 0.027 0.000 1.048 683 G HN -0.010 nan 8.290 nan 0.000 0.548 684 P HA 0.224 nan 4.420 nan 0.000 0.274 684 P C -0.567 176.763 177.300 0.049 0.000 1.237 684 P CA 0.050 63.166 63.100 0.026 0.000 0.793 684 P CB 0.881 32.592 31.700 0.018 0.000 0.977 685 T N 2.614 117.201 114.554 0.055 0.000 2.749 685 T HA 0.423 4.772 4.350 -0.001 0.000 0.287 685 T C 0.041 174.784 174.700 0.071 0.000 0.970 685 T CA -0.376 61.776 62.100 0.087 0.000 0.980 685 T CB 0.045 68.986 68.868 0.121 0.000 0.924 685 T HN 0.167 nan 8.240 nan 0.000 0.456 686 L N 2.856 124.123 121.223 0.072 0.000 2.307 686 L HA 0.743 5.082 4.340 -0.001 0.000 0.284 686 L C 0.356 177.172 176.870 -0.090 0.000 1.023 686 L CA -1.090 53.713 54.840 -0.061 0.000 0.810 686 L CB 1.375 43.403 42.059 -0.052 0.000 1.231 686 L HN 0.635 nan 8.230 nan 0.000 0.423 687 A N 3.354 126.005 122.820 -0.281 0.000 2.325 687 A HA 0.866 5.185 4.320 -0.001 0.000 0.333 687 A C -1.154 176.139 177.584 -0.485 0.000 1.155 687 A CA -0.301 51.608 52.037 -0.212 0.000 0.814 687 A CB 0.832 19.724 19.000 -0.180 0.000 1.206 687 A HN 0.507 nan 8.150 nan 0.000 0.482 688 F N 0.559 120.491 119.950 -0.030 0.000 2.563 688 F HA 0.510 5.036 4.527 -0.001 0.000 0.316 688 F C 1.050 176.845 175.800 -0.009 0.000 1.076 688 F CA -0.293 57.703 58.000 -0.007 0.000 0.921 688 F CB 2.149 41.162 39.000 0.022 0.000 1.209 688 F HN 0.696 nan 8.300 nan 0.000 0.462 689 S N 0.172 115.966 115.700 0.157 0.000 2.606 689 S HA 0.084 4.553 4.470 -0.001 0.000 0.257 689 S C 1.061 175.739 174.600 0.129 0.000 1.327 689 S CA 0.032 58.300 58.200 0.113 0.000 0.984 689 S CB 0.629 63.894 63.200 0.108 0.000 0.941 689 S HN 0.862 nan 8.310 nan 0.000 0.576 690 E N -0.250 120.006 120.200 0.093 0.000 2.418 690 E HA -0.173 4.176 4.350 -0.001 0.000 0.197 690 E C 1.202 177.851 176.600 0.082 0.000 1.026 690 E CA 0.824 57.272 56.400 0.079 0.000 0.862 690 E CB -0.402 29.335 29.700 0.061 0.000 0.799 690 E HN 0.765 nan 8.360 nan 0.000 0.518 691 Q N 0.213 120.070 119.800 0.095 0.000 2.320 691 Q HA 0.223 4.562 4.340 -0.001 0.000 0.201 691 Q C 0.853 176.922 176.000 0.116 0.000 0.910 691 Q CA 0.489 56.347 55.803 0.092 0.000 0.946 691 Q CB 0.883 29.673 28.738 0.087 0.000 1.062 691 Q HN 0.449 nan 8.270 nan 0.000 0.503 692 G N 0.518 109.407 108.800 0.148 0.000 2.147 692 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.244 692 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.244 692 G C -0.361 174.737 174.900 0.330 0.000 1.005 692 G CA -0.144 45.059 45.100 0.170 0.000 0.713 692 G HN 0.273 nan 8.290 nan 0.000 0.515 693 L N -0.388 121.043 121.223 0.347 0.000 2.325 693 L HA 0.686 5.025 4.340 -0.001 0.000 0.278 693 L C 0.801 177.870 176.870 0.332 0.000 1.023 693 L CA -1.395 53.687 54.840 0.404 0.000 0.811 693 L CB 1.571 43.790 42.059 0.267 0.000 1.249 693 L HN 0.150 nan 8.230 nan 0.000 0.431 694 L N 3.092 124.504 121.223 0.315 0.000 2.514 694 L HA -0.033 4.306 4.340 -0.001 0.000 0.280 694 L C 1.017 177.715 176.870 -0.287 0.000 1.223 694 L CA 0.917 55.640 54.840 -0.194 0.000 0.864 694 L CB 0.228 42.267 42.059 -0.033 0.000 1.118 694 L HN 0.807 nan 8.230 nan 0.000 0.494 695 K N 1.287 121.381 120.400 -0.510 0.000 2.474 695 K HA 0.334 4.654 4.320 -0.001 0.000 0.202 695 K C -0.046 176.127 176.600 -0.712 0.000 1.248 695 K CA 0.316 56.093 56.287 -0.850 0.000 0.946 695 K CB 0.413 32.557 32.500 -0.592 0.000 1.102 695 K HN 0.613 nan 8.250 nan 0.000 0.541 696 S N 0.277 115.712 115.700 -0.442 0.000 2.567 696 S HA 0.592 5.061 4.470 -0.001 0.000 0.270 696 S C -1.284 173.204 174.600 -0.187 0.000 1.152 696 S CA -1.000 57.044 58.200 -0.260 0.000 0.835 696 S CB 1.314 64.424 63.200 -0.150 0.000 1.115 696 S HN 0.177 nan 8.310 nan 0.000 0.459 697 I N 1.472 121.988 120.570 -0.091 0.000 2.512 697 I HA 0.414 4.583 4.170 -0.001 0.000 0.287 697 I C -0.687 175.430 176.117 -0.001 0.000 1.069 697 I CA -0.307 60.962 61.300 -0.052 0.000 1.056 697 I CB 2.118 40.075 38.000 -0.072 0.000 1.229 697 I HN 0.747 nan 8.210 nan 0.000 0.429 698 Q N 6.382 126.203 119.800 0.035 0.000 2.372 698 Q HA 0.414 4.753 4.340 -0.001 0.000 0.259 698 Q C 0.076 176.051 176.000 -0.042 0.000 0.993 698 Q CA -0.526 55.248 55.803 -0.047 0.000 0.854 698 Q CB 1.627 30.280 28.738 -0.141 0.000 1.231 698 Q HN 0.794 nan 8.270 nan 0.000 0.462 699 L N 2.256 123.448 121.223 -0.053 0.000 2.056 699 L HA -0.044 4.295 4.340 -0.001 0.000 0.207 699 L C 1.131 177.982 176.870 -0.032 0.000 1.078 699 L CA 1.397 56.215 54.840 -0.037 0.000 0.749 699 L CB -0.308 41.727 42.059 -0.039 0.000 0.901 699 L HN 0.703 nan 8.230 nan 0.000 0.433 700 T N -6.754 107.771 114.554 -0.048 0.000 2.841 700 T HA 0.178 4.528 4.350 -0.001 0.000 0.296 700 T C 0.401 175.070 174.700 -0.051 0.000 1.166 700 T CA -0.807 61.271 62.100 -0.037 0.000 1.007 700 T CB 1.807 70.656 68.868 -0.031 0.000 1.253 700 T HN -0.107 nan 8.240 nan 0.000 0.511 701 Q N 0.450 120.231 119.800 -0.031 0.000 2.248 701 Q HA -0.179 4.161 4.340 -0.001 0.000 0.208 701 Q C 1.418 177.387 176.000 -0.050 0.000 0.984 701 Q CA 2.536 58.321 55.803 -0.031 0.000 0.875 701 Q CB -0.290 28.443 28.738 -0.008 0.000 0.910 701 Q HN 0.927 nan 8.270 nan 0.000 0.433 702 D N -1.009 119.361 120.400 -0.049 0.000 2.333 702 D HA -0.045 4.594 4.640 -0.001 0.000 0.208 702 D C 0.749 177.006 176.300 -0.071 0.000 0.984 702 D CA 0.293 54.263 54.000 -0.049 0.000 0.873 702 D CB 0.081 40.861 40.800 -0.033 0.000 0.935 702 D HN 0.010 nan 8.370 nan 0.000 0.521 703 S N -0.199 115.444 115.700 -0.094 0.000 2.669 703 S HA 0.551 5.020 4.470 -0.001 0.000 0.270 703 S C -2.511 171.986 174.600 -0.170 0.000 1.225 703 S CA -1.346 56.792 58.200 -0.104 0.000 0.991 703 S CB 1.127 64.275 63.200 -0.086 0.000 0.987 703 S HN -0.126 nan 8.310 nan 0.000 0.552 704 P HA 0.258 nan 4.420 nan 0.000 0.276 704 P C -0.781 176.395 177.300 -0.205 0.000 1.244 704 P CA -0.419 62.593 63.100 -0.147 0.000 0.801 704 P CB 0.159 31.832 31.700 -0.044 0.000 1.006 705 H N 0.241 119.305 119.070 -0.010 0.000 3.089 705 H HA 0.139 4.694 4.556 -0.001 0.000 0.262 705 H C -0.129 175.180 175.328 -0.032 0.000 1.160 705 H CA -0.204 55.828 56.048 -0.028 0.000 1.482 705 H CB -0.363 29.382 29.762 -0.028 0.000 1.511 705 H HN 0.088 nan 8.280 nan 0.000 0.483 706 V N 7.020 126.953 119.914 0.031 0.000 2.470 706 V HA 0.061 4.180 4.120 -0.001 0.000 0.276 706 V C -1.862 174.200 176.094 -0.053 0.000 1.040 706 V CA -1.567 60.730 62.300 -0.005 0.000 1.008 706 V CB 0.688 32.495 31.823 -0.027 0.000 0.990 706 V HN 0.534 nan 8.190 nan 0.000 0.477 707 P HA 0.148 nan 4.420 nan 0.000 0.261 707 P C -0.791 176.430 177.300 -0.132 0.000 1.203 707 P CA 0.319 63.336 63.100 -0.137 0.000 0.767 707 P CB 0.392 31.869 31.700 -0.372 0.000 0.785 708 V N 5.094 124.911 119.914 -0.161 0.000 2.509 708 V HA 0.230 4.349 4.120 -0.001 0.000 0.289 708 V C -0.451 175.464 176.094 -0.298 0.000 1.026 708 V CA -0.456 61.721 62.300 -0.205 0.000 0.872 708 V CB 1.084 32.758 31.823 -0.249 0.000 1.017 708 V HN 0.577 nan 8.190 nan 0.000 0.436 709 H N 4.333 123.227 119.070 -0.293 0.000 2.539 709 H HA 0.467 5.022 4.556 -0.001 0.000 0.332 709 H C -1.019 174.154 175.328 -0.258 0.000 1.031 709 H CA -0.485 55.435 56.048 -0.214 0.000 1.206 709 H CB 1.945 31.621 29.762 -0.143 0.000 1.446 709 H HN 0.430 nan 8.280 nan 0.000 0.496 710 F N 2.450 122.377 119.950 -0.039 0.000 2.399 710 F HA 0.258 4.784 4.527 -0.001 0.000 0.342 710 F C 0.610 176.326 175.800 -0.141 0.000 1.106 710 F CA 0.171 58.090 58.000 -0.134 0.000 1.196 710 F CB 0.919 39.837 39.000 -0.136 0.000 1.163 710 F HN 0.305 nan 8.300 nan 0.000 0.547 711 K N 3.075 123.453 120.400 -0.036 0.000 2.523 711 K HA 0.487 4.807 4.320 -0.001 0.000 0.257 711 K C -1.896 174.516 176.600 -0.313 0.000 0.932 711 K CA -0.603 55.638 56.287 -0.076 0.000 0.812 711 K CB 1.306 33.782 32.500 -0.039 0.000 1.326 711 K HN 0.367 nan 8.250 nan 0.000 0.433 712 F N 4.053 123.974 119.950 -0.048 0.000 2.420 712 F HA 0.484 5.011 4.527 -0.001 0.000 0.342 712 F C -0.349 175.422 175.800 -0.049 0.000 1.113 712 F CA -0.542 57.424 58.000 -0.056 0.000 1.059 712 F CB 1.048 39.995 39.000 -0.087 0.000 1.128 712 F HN 0.225 nan 8.300 nan 0.000 0.475 713 L N 2.710 123.974 121.223 0.069 0.000 2.303 713 L HA 0.616 4.956 4.340 -0.001 0.000 0.256 713 L C -1.047 175.814 176.870 -0.016 0.000 1.034 713 L CA -1.054 53.776 54.840 -0.016 0.000 0.832 713 L CB 2.176 44.160 42.059 -0.126 0.000 1.403 713 L HN 0.478 nan 8.230 nan 0.000 0.419 714 K N -0.273 120.084 120.400 -0.073 0.000 2.378 714 K HA 0.649 4.968 4.320 -0.001 0.000 0.252 714 K C -1.707 174.830 176.600 -0.105 0.000 0.931 714 K CA -0.770 55.504 56.287 -0.022 0.000 0.794 714 K CB 1.619 34.139 32.500 0.034 0.000 1.181 714 K HN 0.275 nan 8.250 nan 0.000 0.425 715 Y N 0.726 121.091 120.300 0.108 0.000 2.376 715 Y HA 0.480 5.030 4.550 -0.001 0.000 0.325 715 Y C 1.103 177.064 175.900 0.102 0.000 1.199 715 Y CA 0.128 58.304 58.100 0.126 0.000 1.206 715 Y CB 1.958 40.561 38.460 0.239 0.000 1.229 715 Y HN 0.919 nan 8.280 nan 0.000 0.480 716 G N 0.384 109.339 108.800 0.259 0.000 2.990 716 G HA2 0.642 4.601 3.960 -0.001 0.000 0.208 716 G HA3 0.642 4.601 3.960 -0.001 0.000 0.208 716 G C -1.402 173.582 174.900 0.140 0.000 1.334 716 G CA -0.719 44.477 45.100 0.160 0.000 1.024 716 G HN 0.443 nan 8.290 nan 0.000 0.574 717 V N -0.357 119.608 119.914 0.084 0.000 2.914 717 V HA 0.482 4.601 4.120 -0.001 0.000 0.314 717 V C -0.304 175.807 176.094 0.027 0.000 1.084 717 V CA -0.900 61.434 62.300 0.057 0.000 0.963 717 V CB 2.090 33.950 31.823 0.060 0.000 1.025 717 V HN 0.669 nan 8.190 nan 0.000 0.432 718 R N 1.187 121.695 120.500 0.014 0.000 2.389 718 R HA 0.255 4.595 4.340 -0.001 0.000 0.295 718 R C 1.230 177.533 176.300 0.005 0.000 1.075 718 R CA 0.314 56.415 56.100 0.002 0.000 1.005 718 R CB 0.842 31.145 30.300 0.004 0.000 0.987 718 R HN 0.929 nan 8.270 nan 0.000 0.452 719 S N 1.991 117.668 115.700 -0.037 0.000 2.377 719 S HA -0.078 4.392 4.470 -0.001 0.000 0.223 719 S C 0.491 175.132 174.600 0.069 0.000 1.030 719 S CA 0.530 58.699 58.200 -0.053 0.000 0.970 719 S CB -0.178 62.895 63.200 -0.212 0.000 0.830 719 S HN 0.647 nan 8.310 nan 0.000 0.473 720 H N 0.790 119.864 119.070 0.005 0.000 2.529 720 H HA 0.606 5.161 4.556 -0.001 0.000 0.348 720 H C 0.783 176.110 175.328 -0.001 0.000 1.152 720 H CA -0.442 55.608 56.048 0.002 0.000 1.202 720 H CB 1.481 31.244 29.762 0.002 0.000 1.562 720 H HN 0.587 nan 8.280 nan 0.000 0.515 721 G N 1.903 110.776 108.800 0.122 0.000 2.728 721 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.294 721 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.294 721 G C -1.086 173.837 174.900 0.039 0.000 1.342 721 G CA -0.825 44.310 45.100 0.059 0.000 0.866 721 G HN 0.633 nan 8.290 nan 0.000 0.534 722 D N 0.907 121.318 120.400 0.019 0.000 2.382 722 D HA 0.436 5.075 4.640 -0.001 0.000 0.245 722 D C 0.904 177.208 176.300 0.008 0.000 1.120 722 D CA 0.092 54.096 54.000 0.007 0.000 0.890 722 D CB 0.595 41.392 40.800 -0.005 0.000 1.201 722 D HN 0.356 nan 8.370 nan 0.000 0.433 723 R N 1.048 121.553 120.500 0.009 0.000 2.368 723 R HA 0.300 4.640 4.340 -0.001 0.000 0.302 723 R C 0.022 176.331 176.300 0.015 0.000 1.002 723 R CA -0.591 55.519 56.100 0.018 0.000 0.929 723 R CB 0.907 31.223 30.300 0.027 0.000 1.073 723 R HN 0.282 nan 8.270 nan 0.000 0.464 724 S N 0.382 116.101 115.700 0.032 0.000 2.563 724 S HA 0.420 4.889 4.470 -0.001 0.000 0.284 724 S C 0.649 175.277 174.600 0.047 0.000 1.331 724 S CA 0.268 58.499 58.200 0.053 0.000 1.047 724 S CB 0.944 64.206 63.200 0.104 0.000 0.859 724 S HN 0.757 nan 8.310 nan 0.000 0.514 725 G N 0.021 108.846 108.800 0.042 0.000 2.846 725 G HA2 0.589 4.548 3.960 -0.001 0.000 0.299 725 G HA3 0.589 4.548 3.960 -0.001 0.000 0.299 725 G C 0.550 175.467 174.900 0.027 0.000 1.242 725 G CA -0.112 45.016 45.100 0.047 0.000 0.800 725 G HN 0.702 nan 8.290 nan 0.000 0.538 726 A N -1.253 121.564 122.820 -0.005 0.000 1.978 726 A HA 0.072 4.391 4.320 -0.001 0.000 0.220 726 A C 1.931 179.410 177.584 -0.174 0.000 1.170 726 A CA 2.011 53.981 52.037 -0.111 0.000 0.636 726 A CB -0.647 18.220 19.000 -0.223 0.000 0.810 726 A HN 0.592 nan 8.150 nan 0.000 0.448 727 Y N -0.742 119.490 120.300 -0.112 0.000 2.301 727 Y HA 0.330 4.879 4.550 -0.001 0.000 0.295 727 Y C 0.917 176.697 175.900 -0.200 0.000 1.126 727 Y CA 0.107 58.062 58.100 -0.241 0.000 1.154 727 Y CB -0.182 37.765 38.460 -0.855 0.000 1.075 727 Y HN 0.029 nan 8.280 nan 0.000 0.534 728 L N 0.360 121.543 121.223 -0.067 0.000 2.325 728 L HA 0.231 4.570 4.340 -0.001 0.000 0.279 728 L C -1.159 175.764 176.870 0.089 0.000 1.054 728 L CA -0.620 54.182 54.840 -0.063 0.000 0.804 728 L CB 1.085 43.059 42.059 -0.142 0.000 1.200 728 L HN 0.016 nan 8.230 nan 0.000 0.436 729 F N 4.752 124.645 119.950 -0.096 0.000 2.347 729 F HA 0.488 5.014 4.527 -0.001 0.000 0.366 729 F C -0.835 174.890 175.800 -0.126 0.000 1.107 729 F CA -1.234 56.670 58.000 -0.159 0.000 1.058 729 F CB 0.653 39.489 39.000 -0.273 0.000 1.236 729 F HN 0.199 nan 8.300 nan 0.000 0.456 730 L N 8.938 130.075 121.223 -0.143 0.000 2.556 730 L HA 0.350 4.689 4.340 -0.001 0.000 0.243 730 L C -2.354 174.354 176.870 -0.271 0.000 1.331 730 L CA -1.749 52.952 54.840 -0.231 0.000 0.927 730 L CB 0.989 43.004 42.059 -0.074 0.000 1.219 730 L HN 0.365 nan 8.230 nan 0.000 0.490 731 P HA 0.032 nan 4.420 nan 0.000 0.271 731 P C -0.488 176.741 177.300 -0.118 0.000 1.218 731 P CA -0.280 62.639 63.100 -0.302 0.000 0.780 731 P CB 0.509 31.897 31.700 -0.520 0.000 0.901 732 N N 1.508 120.207 118.700 -0.001 0.000 3.245 732 N HA 0.268 5.007 4.740 -0.001 0.000 0.296 732 N C 0.664 176.194 175.510 0.034 0.000 1.254 732 N CA -0.062 52.992 53.050 0.007 0.000 1.190 732 N CB -0.968 37.530 38.487 0.017 0.000 1.460 732 N HN 0.737 nan 8.380 nan 0.000 0.538 733 G N 1.176 109.990 108.800 0.023 0.000 2.710 733 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.668 733 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.668 733 G C -3.012 171.969 174.900 0.134 0.000 1.320 733 G CA -0.983 44.145 45.100 0.048 0.000 0.860 733 G HN 0.437 nan 8.290 nan 0.000 0.538 734 P HA 0.449 nan 4.420 nan 0.000 0.268 734 P C 0.525 177.805 177.300 -0.033 0.000 1.208 734 P CA 0.691 63.863 63.100 0.121 0.000 0.777 734 P CB 0.289 32.019 31.700 0.050 0.000 0.875 735 A N 2.179 124.790 122.820 -0.349 0.000 2.406 735 A HA 0.396 4.716 4.320 -0.001 0.000 0.243 735 A C 0.344 177.781 177.584 -0.246 0.000 1.082 735 A CA 0.200 51.874 52.037 -0.605 0.000 0.786 735 A CB -0.223 18.118 19.000 -1.099 0.000 1.029 735 A HN 0.484 nan 8.150 nan 0.000 0.495 736 S N 1.633 117.226 115.700 -0.177 0.000 2.537 736 S HA 0.641 5.110 4.470 -0.001 0.000 0.301 736 S C -2.726 171.832 174.600 -0.069 0.000 1.092 736 S CA -1.022 57.126 58.200 -0.087 0.000 1.048 736 S CB 1.446 64.617 63.200 -0.047 0.000 1.053 736 S HN 0.579 nan 8.310 nan 0.000 0.501 737 P HA 0.125 nan 4.420 nan 0.000 0.268 737 P C -0.754 176.549 177.300 0.006 0.000 1.204 737 P CA -0.350 62.742 63.100 -0.013 0.000 0.768 737 P CB 0.261 31.959 31.700 -0.004 0.000 0.842 738 V N 4.007 123.941 119.914 0.032 0.000 2.529 738 V HA -0.043 4.077 4.120 -0.001 0.000 0.292 738 V C 0.941 177.050 176.094 0.024 0.000 1.028 738 V CA 0.287 62.606 62.300 0.032 0.000 1.074 738 V CB -0.559 31.294 31.823 0.050 0.000 0.958 738 V HN 0.522 nan 8.190 nan 0.000 0.481 739 E N 4.900 125.108 120.200 0.012 0.000 2.299 739 E HA 0.144 4.494 4.350 -0.001 0.000 0.272 739 E C 0.485 177.089 176.600 0.007 0.000 1.043 739 E CA -0.188 56.219 56.400 0.012 0.000 0.895 739 E CB 0.763 30.469 29.700 0.010 0.000 1.011 739 E HN 0.557 nan 8.360 nan 0.000 0.432 740 L N 2.825 124.057 121.223 0.014 0.000 2.446 740 L HA 0.114 4.454 4.340 -0.001 0.000 0.219 740 L C 1.430 178.306 176.870 0.011 0.000 1.116 740 L CA 0.355 55.199 54.840 0.006 0.000 0.844 740 L CB -0.741 41.329 42.059 0.020 0.000 0.970 740 L HN 0.894 nan 8.230 nan 0.000 0.457 741 G N 0.822 109.633 108.800 0.018 0.000 2.596 741 G HA2 -0.423 3.536 3.960 -0.001 0.000 0.295 741 G HA3 -0.423 3.536 3.960 -0.001 0.000 0.295 741 G C 0.122 175.042 174.900 0.033 0.000 1.240 741 G CA 0.355 45.471 45.100 0.026 0.000 0.985 741 G HN 0.373 nan 8.290 nan 0.000 0.555 742 Q N 1.724 121.548 119.800 0.040 0.000 2.644 742 Q HA 0.478 4.817 4.340 -0.001 0.000 0.245 742 Q C -2.175 173.859 176.000 0.057 0.000 1.064 742 Q CA -1.595 54.236 55.803 0.047 0.000 0.860 742 Q CB 1.215 29.980 28.738 0.046 0.000 1.145 742 Q HN 0.612 nan 8.270 nan 0.000 0.515 743 P HA 0.050 nan 4.420 nan 0.000 0.274 743 P C -0.497 176.863 177.300 0.100 0.000 1.237 743 P CA -0.296 62.845 63.100 0.068 0.000 0.793 743 P CB 1.099 32.820 31.700 0.035 0.000 0.977 744 V N 2.226 122.235 119.914 0.159 0.000 2.508 744 V HA 0.100 4.220 4.120 -0.001 0.000 0.281 744 V C 0.542 176.771 176.094 0.224 0.000 1.041 744 V CA -0.132 62.282 62.300 0.190 0.000 1.016 744 V CB 1.066 33.043 31.823 0.255 0.000 0.984 744 V HN 0.254 nan 8.190 nan 0.000 0.478 745 V N 6.438 126.428 119.914 0.127 0.000 2.448 745 V HA 0.477 4.596 4.120 -0.001 0.000 0.295 745 V C -0.421 175.671 176.094 -0.002 0.000 1.025 745 V CA -0.640 61.709 62.300 0.080 0.000 0.859 745 V CB 1.672 33.508 31.823 0.023 0.000 0.988 745 V HN 0.657 nan 8.190 nan 0.000 0.431 746 L N 6.718 127.933 121.223 -0.013 0.000 2.325 746 L HA 0.744 5.083 4.340 -0.001 0.000 0.281 746 L C -0.626 176.108 176.870 -0.228 0.000 1.004 746 L CA -0.053 54.658 54.840 -0.215 0.000 0.823 746 L CB 1.791 43.630 42.059 -0.367 0.000 1.236 746 L HN 0.438 nan 8.230 nan 0.000 0.415 747 V N 3.996 123.760 119.914 -0.251 0.000 2.417 747 V HA 0.605 4.725 4.120 -0.001 0.000 0.291 747 V C -0.036 175.958 176.094 -0.166 0.000 1.024 747 V CA -0.403 61.772 62.300 -0.209 0.000 0.861 747 V CB 1.694 33.412 31.823 -0.176 0.000 0.985 747 V HN 0.848 nan 8.190 nan 0.000 0.436 748 T N 5.151 119.640 114.554 -0.108 0.000 2.792 748 T HA 0.453 4.802 4.350 -0.001 0.000 0.280 748 T C -0.475 174.234 174.700 0.016 0.000 0.990 748 T CA -0.620 61.476 62.100 -0.006 0.000 0.960 748 T CB 1.248 70.154 68.868 0.063 0.000 0.939 748 T HN 0.671 nan 8.240 nan 0.000 0.439 749 K N 2.388 122.818 120.400 0.050 0.000 2.450 749 K HA 0.681 5.000 4.320 -0.001 0.000 0.257 749 K C -0.451 176.199 176.600 0.084 0.000 0.953 749 K CA -0.578 55.740 56.287 0.052 0.000 0.844 749 K CB 1.014 33.538 32.500 0.041 0.000 1.103 749 K HN 0.800 nan 8.250 nan 0.000 0.429 750 G N 2.285 111.132 108.800 0.079 0.000 2.605 750 G HA2 0.170 4.129 3.960 -0.001 0.000 0.296 750 G HA3 0.170 4.129 3.960 -0.001 0.000 0.296 750 G C -0.165 174.776 174.900 0.070 0.000 1.304 750 G CA -0.642 44.509 45.100 0.085 0.000 0.941 750 G HN 0.666 nan 8.290 nan 0.000 0.475 751 K N -0.151 120.288 120.400 0.065 0.000 2.097 751 K HA 0.105 4.424 4.320 -0.001 0.000 0.205 751 K C 1.613 178.248 176.600 0.058 0.000 1.050 751 K CA 1.122 57.444 56.287 0.059 0.000 0.938 751 K CB -0.148 32.385 32.500 0.055 0.000 0.718 751 K HN 0.428 nan 8.250 nan 0.000 0.442 752 L N -0.727 120.531 121.223 0.059 0.000 2.470 752 L HA 0.222 4.562 4.340 -0.001 0.000 0.219 752 L C 0.489 177.391 176.870 0.054 0.000 1.071 752 L CA 0.050 54.924 54.840 0.058 0.000 0.850 752 L CB 0.399 42.496 42.059 0.063 0.000 1.040 752 L HN 0.184 nan 8.230 nan 0.000 0.475 753 E N -0.249 119.986 120.200 0.059 0.000 2.321 753 E HA 0.392 4.741 4.350 -0.001 0.000 0.281 753 E C -1.477 175.160 176.600 0.062 0.000 0.910 753 E CA -0.193 56.241 56.400 0.056 0.000 0.770 753 E CB 2.133 31.865 29.700 0.054 0.000 1.225 753 E HN -0.128 nan 8.360 nan 0.000 0.417 754 S N 1.246 116.978 115.700 0.054 0.000 2.599 754 S HA 0.799 5.268 4.470 -0.001 0.000 0.294 754 S C -1.331 173.280 174.600 0.018 0.000 1.094 754 S CA -0.675 57.549 58.200 0.040 0.000 0.931 754 S CB 1.798 65.022 63.200 0.040 0.000 1.093 754 S HN 0.619 nan 8.310 nan 0.000 0.488 755 S N -0.139 115.544 115.700 -0.029 0.000 2.565 755 S HA 0.738 5.207 4.470 -0.001 0.000 0.269 755 S C -1.692 172.793 174.600 -0.191 0.000 1.153 755 S CA -0.743 57.414 58.200 -0.073 0.000 0.835 755 S CB 1.069 64.252 63.200 -0.028 0.000 1.122 755 S HN 0.457 nan 8.310 nan 0.000 0.462 756 V N 1.831 121.573 119.914 -0.287 0.000 2.531 756 V HA 0.745 4.864 4.120 -0.001 0.000 0.301 756 V C -0.485 175.467 176.094 -0.235 0.000 1.034 756 V CA -0.387 61.679 62.300 -0.389 0.000 0.865 756 V CB 1.663 32.938 31.823 -0.912 0.000 0.995 756 V HN 1.003 nan 8.190 nan 0.000 0.424 757 S N 3.146 118.761 115.700 -0.141 0.000 2.513 757 S HA 0.793 5.262 4.470 -0.001 0.000 0.299 757 S C -0.874 173.665 174.600 -0.102 0.000 1.087 757 S CA -0.630 57.497 58.200 -0.123 0.000 1.012 757 S CB 2.171 65.398 63.200 0.045 0.000 1.044 757 S HN 0.636 nan 8.310 nan 0.000 0.485 758 V N 2.006 121.746 119.914 -0.289 0.000 2.760 758 V HA 0.794 4.913 4.120 -0.001 0.000 0.309 758 V C -0.064 175.708 176.094 -0.537 0.000 1.077 758 V CA -0.415 61.743 62.300 -0.237 0.000 0.910 758 V CB 1.792 33.590 31.823 -0.042 0.000 1.008 758 V HN 1.001 nan 8.190 nan 0.000 0.424 759 G N 6.943 115.471 108.800 -0.452 0.000 2.457 759 G HA2 0.550 4.510 3.960 -0.001 0.000 0.316 759 G HA3 0.550 4.510 3.960 -0.001 0.000 0.316 759 G C -0.650 174.129 174.900 -0.201 0.000 1.030 759 G CA -0.306 44.552 45.100 -0.403 0.000 1.073 759 G HN 0.694 nan 8.290 nan 0.000 0.430 760 L N 3.023 124.076 121.223 -0.284 0.000 2.358 760 L HA 0.417 4.756 4.340 -0.001 0.000 0.268 760 L C -2.058 174.670 176.870 -0.237 0.000 1.032 760 L CA -2.459 52.236 54.840 -0.241 0.000 0.805 760 L CB 2.046 43.892 42.059 -0.354 0.000 1.253 760 L HN 0.213 nan 8.230 nan 0.000 0.452 761 P HA 0.043 nan 4.420 nan 0.000 0.261 761 P C 0.100 177.287 177.300 -0.189 0.000 1.203 761 P CA 0.585 63.582 63.100 -0.172 0.000 0.767 761 P CB 0.863 32.497 31.700 -0.110 0.000 0.785 762 S N 0.068 115.657 115.700 -0.184 0.000 2.691 762 S HA -0.105 4.364 4.470 -0.001 0.000 0.262 762 S C 0.169 174.654 174.600 -0.193 0.000 1.284 762 S CA 1.217 59.328 58.200 -0.149 0.000 1.372 762 S CB -1.300 61.847 63.200 -0.089 0.000 1.693 762 S HN 0.385 nan 8.310 nan 0.000 0.647 763 V N 1.389 121.126 119.914 -0.295 0.000 2.655 763 V HA 0.455 4.574 4.120 -0.001 0.000 0.301 763 V C -0.265 175.579 176.094 -0.416 0.000 1.082 763 V CA -0.791 61.288 62.300 -0.370 0.000 0.899 763 V CB 2.081 33.522 31.823 -0.637 0.000 1.014 763 V HN 0.095 nan 8.190 nan 0.000 0.429 764 V N 4.068 123.748 119.914 -0.389 0.000 2.368 764 V HA 0.336 4.455 4.120 -0.001 0.000 0.266 764 V C -0.170 175.688 176.094 -0.393 0.000 1.045 764 V CA -0.336 61.627 62.300 -0.562 0.000 0.899 764 V CB 0.854 32.224 31.823 -0.754 0.000 1.006 764 V HN 0.940 nan 8.190 nan 0.000 0.470 765 H N 4.485 123.271 119.070 -0.473 0.000 2.488 765 H HA 0.595 5.150 4.556 -0.001 0.000 0.322 765 H C -0.404 174.784 175.328 -0.232 0.000 1.078 765 H CA -0.219 55.656 56.048 -0.289 0.000 1.260 765 H CB 1.218 30.834 29.762 -0.243 0.000 1.425 765 H HN 0.686 nan 8.280 nan 0.000 0.471 766 Q N 3.929 123.387 119.800 -0.570 0.000 2.323 766 Q HA 0.399 4.738 4.340 -0.001 0.000 0.271 766 Q C -1.321 174.435 176.000 -0.406 0.000 1.048 766 Q CA -0.913 54.645 55.803 -0.409 0.000 0.792 766 Q CB 1.629 30.244 28.738 -0.204 0.000 1.280 766 Q HN 0.754 nan 8.270 nan 0.000 0.441 767 T N 4.688 119.099 114.554 -0.238 0.000 2.779 767 T HA 0.559 4.909 4.350 -0.001 0.000 0.280 767 T C -0.375 174.337 174.700 0.020 0.000 0.987 767 T CA -0.348 61.735 62.100 -0.029 0.000 0.966 767 T CB 0.420 69.439 68.868 0.251 0.000 0.933 767 T HN 0.471 nan 8.240 nan 0.000 0.442 768 I N 3.443 124.042 120.570 0.048 0.000 2.433 768 I HA 0.486 4.655 4.170 -0.001 0.000 0.292 768 I C -0.330 175.833 176.117 0.077 0.000 1.001 768 I CA -0.798 60.530 61.300 0.047 0.000 1.119 768 I CB 1.821 39.839 38.000 0.031 0.000 1.289 768 I HN 0.391 nan 8.210 nan 0.000 0.438 769 M N 5.820 125.466 119.600 0.076 0.000 2.243 769 M HA 0.491 4.970 4.480 -0.001 0.000 0.324 769 M C 0.191 176.527 176.300 0.061 0.000 1.031 769 M CA -0.316 55.033 55.300 0.082 0.000 0.949 769 M CB 2.113 34.776 32.600 0.105 0.000 1.615 769 M HN 0.474 nan 8.290 nan 0.000 0.430 770 R N 1.190 121.722 120.500 0.053 0.000 2.572 770 R HA 0.357 4.697 4.340 -0.001 0.000 0.370 770 R C 0.780 177.106 176.300 0.042 0.000 1.005 770 R CA 0.234 56.360 56.100 0.043 0.000 1.146 770 R CB 1.107 31.425 30.300 0.030 0.000 1.390 770 R HN 1.144 nan 8.270 nan 0.000 0.553 771 G N -0.277 108.551 108.800 0.047 0.000 2.211 771 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.201 771 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.201 771 G C 0.302 175.224 174.900 0.036 0.000 0.997 771 G CA -0.350 44.776 45.100 0.043 0.000 0.652 771 G HN 0.518 nan 8.290 nan 0.000 0.500 772 G N 0.036 108.857 108.800 0.035 0.000 3.302 772 G HA2 0.778 4.737 3.960 -0.001 0.000 0.170 772 G HA3 0.778 4.737 3.960 -0.001 0.000 0.170 772 G C 0.530 175.451 174.900 0.035 0.000 1.119 772 G CA 0.503 45.620 45.100 0.029 0.000 0.826 772 G HN 1.541 nan 8.290 nan 0.000 0.646 773 A N 1.627 124.466 122.820 0.030 0.000 2.546 773 A HA 0.515 4.834 4.320 -0.001 0.000 0.243 773 A C -1.794 175.826 177.584 0.060 0.000 1.063 773 A CA -0.443 51.618 52.037 0.039 0.000 0.757 773 A CB -0.480 18.541 19.000 0.035 0.000 0.991 773 A HN 0.357 nan 8.150 nan 0.000 0.503 774 P HA 0.129 nan 4.420 nan 0.000 0.270 774 P C -0.388 176.977 177.300 0.109 0.000 1.223 774 P CA -0.172 62.989 63.100 0.102 0.000 0.785 774 P CB 0.594 32.376 31.700 0.137 0.000 0.923 775 E N 1.096 121.355 120.200 0.099 0.000 2.191 775 E HA 0.382 4.732 4.350 -0.001 0.000 0.278 775 E C -0.795 175.868 176.600 0.104 0.000 0.972 775 E CA -0.707 55.754 56.400 0.101 0.000 0.804 775 E CB 0.601 30.338 29.700 0.062 0.000 1.110 775 E HN 0.207 nan 8.360 nan 0.000 0.394 776 I N 4.081 124.744 120.570 0.155 0.000 2.404 776 I HA 0.405 4.574 4.170 -0.001 0.000 0.293 776 I C -0.011 176.208 176.117 0.171 0.000 0.992 776 I CA -0.584 60.780 61.300 0.106 0.000 1.149 776 I CB 1.251 39.319 38.000 0.113 0.000 1.315 776 I HN 0.544 nan 8.210 nan 0.000 0.446 777 R N 4.669 125.196 120.500 0.045 0.000 2.513 777 R HA 0.490 4.829 4.340 -0.001 0.000 0.301 777 R C -0.952 175.384 176.300 0.060 0.000 0.968 777 R CA -0.841 55.307 56.100 0.080 0.000 0.872 777 R CB 2.010 32.316 30.300 0.011 0.000 1.177 777 R HN 0.464 nan 8.270 nan 0.000 0.444 778 N N 2.673 121.479 118.700 0.177 0.000 2.407 778 N HA 0.202 4.942 4.740 -0.001 0.000 0.277 778 N C -1.272 174.248 175.510 0.017 0.000 0.995 778 N CA -0.699 52.433 53.050 0.137 0.000 0.903 778 N CB 1.901 40.584 38.487 0.327 0.000 1.218 778 N HN 0.319 nan 8.380 nan 0.000 0.487 779 L N 3.647 124.817 121.223 -0.089 0.000 2.268 779 L HA 0.394 4.733 4.340 -0.001 0.000 0.289 779 L C -1.028 175.766 176.870 -0.127 0.000 1.064 779 L CA -0.490 54.278 54.840 -0.120 0.000 0.824 779 L CB 0.531 42.505 42.059 -0.141 0.000 1.202 779 L HN 0.208 nan 8.230 nan 0.000 0.433 780 V N 4.589 124.435 119.914 -0.113 0.000 2.370 780 V HA 0.413 4.532 4.120 -0.001 0.000 0.279 780 V C -0.540 175.518 176.094 -0.062 0.000 1.029 780 V CA -0.499 61.755 62.300 -0.077 0.000 0.870 780 V CB 1.375 33.186 31.823 -0.020 0.000 0.984 780 V HN 0.688 nan 8.190 nan 0.000 0.451 781 D N 3.967 124.332 120.400 -0.059 0.000 2.389 781 D HA 0.269 4.908 4.640 -0.001 0.000 0.256 781 D C 0.456 176.741 176.300 -0.024 0.000 1.239 781 D CA -0.408 53.570 54.000 -0.036 0.000 0.925 781 D CB 1.478 42.252 40.800 -0.043 0.000 1.145 781 D HN 0.462 nan 8.370 nan 0.000 0.542 782 I N 2.488 123.061 120.570 0.006 0.000 3.001 782 I HA 0.074 4.243 4.170 -0.001 0.000 0.268 782 I C 1.418 177.545 176.117 0.016 0.000 1.267 782 I CA 1.102 62.413 61.300 0.018 0.000 1.472 782 I CB -0.203 37.826 38.000 0.049 0.000 1.089 782 I HN 0.629 nan 8.210 nan 0.000 0.468 783 G N 0.944 109.753 108.800 0.014 0.000 2.651 783 G HA2 -0.445 3.514 3.960 -0.001 0.000 0.315 783 G HA3 -0.445 3.514 3.960 -0.001 0.000 0.315 783 G C 0.593 175.511 174.900 0.029 0.000 1.258 783 G CA 0.564 45.677 45.100 0.021 0.000 1.002 783 G HN 0.674 nan 8.290 nan 0.000 0.551 784 S N -0.080 115.638 115.700 0.031 0.000 2.574 784 S HA 0.538 5.007 4.470 -0.001 0.000 0.242 784 S C 0.812 175.433 174.600 0.034 0.000 0.982 784 S CA 0.049 58.269 58.200 0.033 0.000 0.977 784 S CB 0.145 63.365 63.200 0.034 0.000 0.814 784 S HN 0.675 nan 8.310 nan 0.000 0.464 785 L N 2.991 124.234 121.223 0.033 0.000 2.382 785 L HA 0.245 4.584 4.340 -0.001 0.000 0.259 785 L C -0.436 176.460 176.870 0.044 0.000 1.291 785 L CA -0.349 54.513 54.840 0.036 0.000 1.176 785 L CB -0.865 41.214 42.059 0.033 0.000 1.373 785 L HN 0.142 nan 8.230 nan 0.000 0.426 786 D N 2.263 122.688 120.400 0.042 0.000 2.449 786 D HA -0.051 4.588 4.640 -0.001 0.000 0.236 786 D C 0.771 177.102 176.300 0.051 0.000 1.149 786 D CA 0.402 54.429 54.000 0.046 0.000 0.878 786 D CB 0.273 41.097 40.800 0.040 0.000 1.198 786 D HN 0.287 nan 8.370 nan 0.000 0.446 787 N N 0.390 119.125 118.700 0.058 0.000 2.738 787 N HA -0.170 4.569 4.740 -0.001 0.000 0.249 787 N C -0.946 174.613 175.510 0.082 0.000 1.047 787 N CA 0.872 53.962 53.050 0.067 0.000 0.707 787 N CB -1.170 37.350 38.487 0.056 0.000 0.937 787 N HN 0.319 nan 8.380 nan 0.000 0.545 788 T N 0.287 114.894 114.554 0.088 0.000 2.912 788 T HA 0.460 4.809 4.350 -0.001 0.000 0.299 788 T C -0.327 174.445 174.700 0.121 0.000 1.052 788 T CA -0.754 61.410 62.100 0.106 0.000 0.996 788 T CB 2.398 71.315 68.868 0.081 0.000 1.070 788 T HN 0.031 nan 8.240 nan 0.000 0.465 789 E N 2.212 122.512 120.200 0.167 0.000 2.224 789 E HA 0.458 4.807 4.350 -0.001 0.000 0.265 789 E C -0.800 175.920 176.600 0.201 0.000 0.878 789 E CA -0.642 55.856 56.400 0.164 0.000 0.759 789 E CB 2.304 32.084 29.700 0.134 0.000 1.164 789 E HN 0.480 nan 8.360 nan 0.000 0.414 790 I N 2.657 123.330 120.570 0.172 0.000 2.331 790 I HA 0.259 4.428 4.170 -0.001 0.000 0.292 790 I C -0.248 176.004 176.117 0.226 0.000 0.998 790 I CA -0.865 60.548 61.300 0.189 0.000 1.267 790 I CB 1.450 39.558 38.000 0.180 0.000 1.386 790 I HN 0.199 nan 8.210 nan 0.000 0.476 791 V N 8.023 128.063 119.914 0.211 0.000 2.628 791 V HA 0.494 4.614 4.120 -0.001 0.000 0.306 791 V C -0.477 175.639 176.094 0.035 0.000 1.045 791 V CA -0.721 61.688 62.300 0.181 0.000 0.905 791 V CB 2.011 33.990 31.823 0.260 0.000 0.997 791 V HN 0.761 nan 8.190 nan 0.000 0.436 792 M N 7.320 126.871 119.600 -0.083 0.000 2.129 792 M HA 0.564 5.043 4.480 -0.001 0.000 0.348 792 M C -0.514 175.645 176.300 -0.234 0.000 1.116 792 M CA -0.402 54.625 55.300 -0.455 0.000 1.022 792 M CB 0.585 32.892 32.600 -0.488 0.000 1.599 792 M HN 0.763 nan 8.290 nan 0.000 0.449 793 R N 4.579 124.933 120.500 -0.244 0.000 2.664 793 R HA 0.727 5.066 4.340 -0.001 0.000 0.286 793 R C -1.939 174.275 176.300 -0.143 0.000 0.967 793 R CA -0.636 55.380 56.100 -0.139 0.000 0.933 793 R CB 1.514 31.748 30.300 -0.110 0.000 1.146 793 R HN 0.814 nan 8.270 nan 0.000 0.468 794 L N 2.949 124.061 121.223 -0.185 0.000 2.341 794 L HA 0.446 4.785 4.340 -0.001 0.000 0.278 794 L C -0.667 176.090 176.870 -0.187 0.000 1.005 794 L CA -0.462 54.200 54.840 -0.298 0.000 0.818 794 L CB 2.063 43.898 42.059 -0.372 0.000 1.259 794 L HN 0.635 nan 8.230 nan 0.000 0.418 795 E N 1.956 122.058 120.200 -0.162 0.000 2.199 795 E HA 0.533 4.883 4.350 -0.001 0.000 0.265 795 E C -0.781 175.752 176.600 -0.112 0.000 0.882 795 E CA -0.531 55.800 56.400 -0.114 0.000 0.759 795 E CB 2.347 31.977 29.700 -0.117 0.000 1.148 795 E HN 0.615 nan 8.360 nan 0.000 0.412 796 T N -1.302 113.200 114.554 -0.087 0.000 2.804 796 T HA 0.333 4.683 4.350 -0.001 0.000 0.290 796 T C 0.030 174.742 174.700 0.021 0.000 1.099 796 T CA -0.726 61.318 62.100 -0.094 0.000 1.011 796 T CB 1.057 69.888 68.868 -0.063 0.000 1.291 796 T HN 0.578 nan 8.240 nan 0.000 0.523 797 H N -0.515 118.547 119.070 -0.014 0.000 2.507 797 H HA 0.422 4.977 4.556 -0.001 0.000 0.294 797 H C -0.047 175.278 175.328 -0.005 0.000 1.064 797 H CA -0.521 55.520 56.048 -0.011 0.000 1.138 797 H CB 0.009 29.768 29.762 -0.004 0.000 1.515 797 H HN 0.300 nan 8.280 nan 0.000 0.547 798 I N 1.470 122.105 120.570 0.108 0.000 2.441 798 I HA -0.067 4.103 4.170 -0.001 0.000 0.287 798 I C 0.327 176.483 176.117 0.066 0.000 1.049 798 I CA -0.080 61.263 61.300 0.073 0.000 1.381 798 I CB 0.771 38.804 38.000 0.055 0.000 1.409 798 I HN 0.168 nan 8.210 nan 0.000 0.523 799 D N 4.580 125.013 120.400 0.055 0.000 2.563 799 D HA 0.067 4.706 4.640 -0.001 0.000 0.222 799 D C 1.111 177.445 176.300 0.057 0.000 1.145 799 D CA -0.189 53.837 54.000 0.044 0.000 1.001 799 D CB 0.528 41.345 40.800 0.028 0.000 1.049 799 D HN 0.528 nan 8.370 nan 0.000 0.515 800 S N 0.887 116.628 115.700 0.068 0.000 2.527 800 S HA 0.254 4.724 4.470 -0.001 0.000 0.222 800 S C 1.595 176.242 174.600 0.079 0.000 0.985 800 S CA 0.252 58.507 58.200 0.091 0.000 0.921 800 S CB -0.182 63.085 63.200 0.113 0.000 0.772 800 S HN 0.572 nan 8.310 nan 0.000 0.529 801 G N 3.267 112.102 108.800 0.057 0.000 2.574 801 G HA2 -0.407 3.552 3.960 -0.001 0.000 0.301 801 G HA3 -0.407 3.552 3.960 -0.001 0.000 0.301 801 G C 0.191 175.127 174.900 0.061 0.000 1.166 801 G CA 0.639 45.768 45.100 0.049 0.000 0.971 801 G HN 0.747 nan 8.290 nan 0.000 0.542 802 D N 0.105 120.546 120.400 0.068 0.000 2.431 802 D HA 0.349 4.988 4.640 -0.001 0.000 0.213 802 D C 0.737 177.120 176.300 0.138 0.000 1.130 802 D CA -0.215 53.842 54.000 0.096 0.000 0.834 802 D CB 0.350 41.192 40.800 0.070 0.000 0.985 802 D HN 0.453 nan 8.370 nan 0.000 0.504 803 I N 1.521 122.155 120.570 0.106 0.000 2.437 803 I HA 0.483 4.652 4.170 -0.001 0.000 0.298 803 I C -0.216 175.988 176.117 0.144 0.000 0.984 803 I CA -1.043 60.262 61.300 0.007 0.000 1.214 803 I CB 0.593 38.562 38.000 -0.052 0.000 1.365 803 I HN -0.031 nan 8.210 nan 0.000 0.469 804 F N 4.541 124.307 119.950 -0.305 0.000 2.745 804 F HA 0.693 5.219 4.527 -0.001 0.000 0.316 804 F C -2.068 173.382 175.800 -0.584 0.000 1.155 804 F CA -1.416 56.428 58.000 -0.260 0.000 0.937 804 F CB 1.262 40.181 39.000 -0.136 0.000 1.361 804 F HN 0.185 nan 8.300 nan 0.000 0.472 805 Y N 0.028 120.097 120.300 -0.385 0.000 2.442 805 Y HA 0.645 5.194 4.550 -0.001 0.000 0.344 805 Y C -0.102 175.625 175.900 -0.288 0.000 0.976 805 Y CA -0.709 57.029 58.100 -0.602 0.000 1.040 805 Y CB 2.435 40.124 38.460 -1.284 0.000 1.228 805 Y HN 0.887 nan 8.280 nan 0.000 0.451 806 T N -1.231 113.247 114.554 -0.126 0.000 2.906 806 T HA 0.472 4.822 4.350 -0.001 0.000 0.295 806 T C -0.943 173.569 174.700 -0.314 0.000 1.075 806 T CA -1.067 60.978 62.100 -0.091 0.000 1.005 806 T CB 1.958 70.746 68.868 -0.133 0.000 1.136 806 T HN 0.580 nan 8.240 nan 0.000 0.498 807 D N 1.328 121.371 120.400 -0.593 0.000 2.348 807 D HA 0.335 4.974 4.640 -0.001 0.000 0.249 807 D C -0.589 175.433 176.300 -0.463 0.000 1.110 807 D CA -0.764 52.689 54.000 -0.911 0.000 0.967 807 D CB 1.102 41.101 40.800 -1.334 0.000 1.139 807 D HN 0.553 nan 8.370 nan 0.000 0.466 808 L N 0.892 121.888 121.223 -0.379 0.000 2.316 808 L HA 0.222 4.561 4.340 -0.001 0.000 0.280 808 L C -0.053 176.695 176.870 -0.203 0.000 1.006 808 L CA -0.813 53.902 54.840 -0.208 0.000 0.836 808 L CB 0.573 42.577 42.059 -0.091 0.000 1.221 808 L HN 0.445 nan 8.230 nan 0.000 0.418 809 N N 2.164 120.757 118.700 -0.180 0.000 2.693 809 N HA -0.238 4.501 4.740 -0.001 0.000 0.249 809 N C 0.999 176.314 175.510 -0.324 0.000 1.119 809 N CA 0.916 53.860 53.050 -0.176 0.000 0.717 809 N CB -1.012 37.442 38.487 -0.055 0.000 1.071 809 N HN 1.093 nan 8.380 nan 0.000 0.555 810 G N -1.744 106.866 108.800 -0.316 0.000 2.155 810 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.257 810 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.257 810 G C 0.635 175.512 174.900 -0.039 0.000 0.983 810 G CA 0.673 45.614 45.100 -0.266 0.000 0.676 810 G HN 0.461 nan 8.290 nan 0.000 0.528 811 L N -0.326 120.809 121.223 -0.148 0.000 2.467 811 L HA 0.493 4.832 4.340 -0.001 0.000 0.213 811 L C 1.056 177.805 176.870 -0.203 0.000 1.053 811 L CA 2.039 56.696 54.840 -0.305 0.000 0.847 811 L CB 0.113 41.826 42.059 -0.576 0.000 1.075 811 L HN 0.703 nan 8.230 nan 0.000 0.479 812 Q N -1.904 117.783 119.800 -0.188 0.000 2.482 812 Q HA 0.367 4.706 4.340 -0.001 0.000 0.286 812 Q C -1.671 174.217 176.000 -0.186 0.000 1.007 812 Q CA -0.748 55.008 55.803 -0.080 0.000 0.801 812 Q CB 1.238 29.983 28.738 0.012 0.000 1.455 812 Q HN -0.050 nan 8.270 nan 0.000 0.398 813 F N 1.131 121.030 119.950 -0.085 0.000 2.443 813 F HA 0.630 5.156 4.527 -0.001 0.000 0.335 813 F C -0.209 175.548 175.800 -0.073 0.000 1.104 813 F CA -0.901 57.061 58.000 -0.063 0.000 1.013 813 F CB 1.787 40.790 39.000 0.005 0.000 1.136 813 F HN 0.547 nan 8.300 nan 0.000 0.470 814 I N 3.351 123.925 120.570 0.007 0.000 2.509 814 I HA 0.336 4.505 4.170 -0.001 0.000 0.293 814 I C -0.561 175.418 176.117 -0.229 0.000 1.020 814 I CA -0.903 60.349 61.300 -0.079 0.000 1.088 814 I CB 1.358 39.267 38.000 -0.152 0.000 1.267 814 I HN 0.506 nan 8.210 nan 0.000 0.430 815 K N 6.775 126.998 120.400 -0.295 0.000 2.416 815 K HA 0.224 4.543 4.320 -0.001 0.000 0.283 815 K C -0.822 175.322 176.600 -0.759 0.000 1.037 815 K CA -0.267 55.574 56.287 -0.743 0.000 0.995 815 K CB 0.475 32.678 32.500 -0.494 0.000 0.938 815 K HN 0.499 nan 8.250 nan 0.000 0.475 816 R N 3.291 123.148 120.500 -1.071 0.000 2.732 816 R HA 0.374 4.713 4.340 -0.001 0.000 0.278 816 R C -0.492 175.289 176.300 -0.865 0.000 0.976 816 R CA -0.802 54.592 56.100 -1.176 0.000 0.963 816 R CB 1.559 30.600 30.300 -2.098 0.000 1.150 816 R HN 0.670 nan 8.270 nan 0.000 0.478 817 R N 1.366 121.576 120.500 -0.483 0.000 2.476 817 R HA 0.292 4.632 4.340 -0.001 0.000 0.305 817 R C -0.615 175.724 176.300 0.066 0.000 0.965 817 R CA -0.687 55.318 56.100 -0.159 0.000 0.867 817 R CB 1.620 31.863 30.300 -0.094 0.000 1.176 817 R HN 0.563 nan 8.270 nan 0.000 0.447 818 R N 4.921 125.568 120.500 0.245 0.000 2.449 818 R HA 0.158 4.497 4.340 -0.001 0.000 0.296 818 R C -0.979 175.401 176.300 0.134 0.000 1.047 818 R CA 0.151 56.418 56.100 0.279 0.000 1.018 818 R CB 0.389 30.829 30.300 0.233 0.000 0.962 818 R HN 0.518 nan 8.270 nan 0.000 0.428 819 L N 4.696 125.978 121.223 0.098 0.000 2.325 819 L HA 0.255 4.594 4.340 -0.001 0.000 0.281 819 L C 0.188 177.059 176.870 0.002 0.000 1.004 819 L CA -0.691 54.171 54.840 0.036 0.000 0.823 819 L CB 2.102 44.163 42.059 0.003 0.000 1.236 819 L HN 0.678 nan 8.230 nan 0.000 0.415 820 D N 1.633 122.038 120.400 0.008 0.000 2.363 820 D HA -0.086 4.554 4.640 -0.001 0.000 0.226 820 D C 1.562 177.853 176.300 -0.015 0.000 1.020 820 D CA 0.596 54.596 54.000 -0.001 0.000 0.892 820 D CB 0.411 41.217 40.800 0.011 0.000 0.900 820 D HN 0.575 nan 8.370 nan 0.000 0.531 821 K N 0.215 120.600 120.400 -0.024 0.000 2.432 821 K HA 0.038 4.357 4.320 -0.001 0.000 0.196 821 K C 0.734 177.284 176.600 -0.083 0.000 1.038 821 K CA 0.338 56.611 56.287 -0.024 0.000 0.986 821 K CB 0.387 32.894 32.500 0.012 0.000 0.782 821 K HN 0.070 nan 8.250 nan 0.000 0.485 822 L N 2.454 123.589 121.223 -0.147 0.000 2.334 822 L HA 0.469 4.809 4.340 -0.001 0.000 0.273 822 L C -2.260 174.515 176.870 -0.158 0.000 1.013 822 L CA -2.872 51.835 54.840 -0.221 0.000 0.816 822 L CB 1.492 43.338 42.059 -0.355 0.000 1.278 822 L HN -0.033 nan 8.230 nan 0.000 0.431 823 P HA 0.059 nan 4.420 nan 0.000 0.274 823 P C 0.803 177.992 177.300 -0.185 0.000 1.256 823 P CA -0.498 62.520 63.100 -0.137 0.000 0.795 823 P CB 1.322 32.964 31.700 -0.097 0.000 1.038 824 L N 0.656 121.795 121.223 -0.141 0.000 2.043 824 L HA -0.257 4.082 4.340 -0.001 0.000 0.212 824 L C 2.477 179.269 176.870 -0.130 0.000 1.075 824 L CA 1.809 56.590 54.840 -0.097 0.000 0.752 824 L CB -0.635 41.364 42.059 -0.100 0.000 0.891 824 L HN 0.405 nan 8.230 nan 0.000 0.432 825 Q N -0.296 119.312 119.800 -0.319 0.000 2.291 825 Q HA -0.150 4.189 4.340 -0.001 0.000 0.205 825 Q C 1.883 177.780 176.000 -0.172 0.000 0.970 825 Q CA 1.430 57.067 55.803 -0.277 0.000 0.876 825 Q CB -0.486 28.007 28.738 -0.408 0.000 0.935 825 Q HN 0.592 nan 8.270 nan 0.000 0.455 826 A N 1.590 124.091 122.820 -0.532 0.000 2.066 826 A HA -0.048 4.271 4.320 -0.001 0.000 0.218 826 A C 1.656 179.032 177.584 -0.346 0.000 1.157 826 A CA 0.789 52.355 52.037 -0.785 0.000 0.670 826 A CB -0.222 17.953 19.000 -1.374 0.000 0.804 826 A HN 0.349 nan 8.150 nan 0.000 0.453 827 N N -1.115 117.510 118.700 -0.125 0.000 2.398 827 N HA 0.048 4.787 4.740 -0.001 0.000 0.188 827 N C -0.857 174.746 175.510 0.154 0.000 1.122 827 N CA 0.200 53.298 53.050 0.080 0.000 0.866 827 N CB 0.043 38.624 38.487 0.156 0.000 0.970 827 N HN 0.465 nan 8.380 nan 0.000 0.462 828 Y N 0.257 120.508 120.300 -0.081 0.000 2.304 828 Y HA 0.194 4.743 4.550 -0.001 0.000 0.328 828 Y C -0.162 175.684 175.900 -0.089 0.000 1.123 828 Y CA -0.054 58.087 58.100 0.068 0.000 1.218 828 Y CB 0.404 38.978 38.460 0.190 0.000 1.207 828 Y HN -0.062 nan 8.280 nan 0.000 0.495 829 Y N 3.146 123.584 120.300 0.230 0.000 2.605 829 Y HA 0.453 5.002 4.550 -0.001 0.000 0.343 829 Y C -2.318 173.291 175.900 -0.486 0.000 1.036 829 Y CA -2.937 55.154 58.100 -0.015 0.000 1.065 829 Y CB 1.458 39.901 38.460 -0.030 0.000 1.288 829 Y HN 0.439 nan 8.280 nan 0.000 0.481 830 P HA 0.126 nan 4.420 nan 0.000 0.271 830 P C -0.670 176.387 177.300 -0.404 0.000 1.216 830 P CA 0.266 62.776 63.100 -0.983 0.000 0.771 830 P CB 0.521 31.558 31.700 -1.106 0.000 0.864 831 I N 5.226 125.643 120.570 -0.255 0.000 2.620 831 I HA 0.173 4.342 4.170 -0.001 0.000 0.280 831 I C -1.733 174.315 176.117 -0.115 0.000 1.143 831 I CA -2.480 58.742 61.300 -0.129 0.000 1.163 831 I CB 0.827 38.813 38.000 -0.024 0.000 1.461 831 I HN 0.197 nan 8.210 nan 0.000 0.530 832 P HA -0.030 nan 4.420 nan 0.000 0.225 832 P C 1.028 178.300 177.300 -0.046 0.000 1.156 832 P CA 1.071 64.104 63.100 -0.112 0.000 0.787 832 P CB 0.602 32.208 31.700 -0.156 0.000 0.802 833 S N -3.387 112.287 115.700 -0.043 0.000 2.551 833 S HA 0.480 4.949 4.470 -0.001 0.000 0.276 833 S C 0.544 175.233 174.600 0.148 0.000 1.051 833 S CA 0.341 58.573 58.200 0.053 0.000 1.377 833 S CB 0.298 63.550 63.200 0.088 0.000 1.208 833 S HN 0.323 nan 8.310 nan 0.000 0.656 834 G N 1.492 110.376 108.800 0.139 0.000 2.368 834 G HA2 0.530 4.489 3.960 -0.001 0.000 0.293 834 G HA3 0.530 4.489 3.960 -0.001 0.000 0.293 834 G C -1.532 173.618 174.900 0.417 0.000 1.467 834 G CA -0.392 44.920 45.100 0.354 0.000 0.804 834 G HN 0.946 nan 8.290 nan 0.000 0.535 835 M N -0.699 119.180 119.600 0.465 0.000 2.534 835 M HA 0.871 5.350 4.480 -0.001 0.000 0.280 835 M C -1.724 174.811 176.300 0.392 0.000 1.217 835 M CA -1.024 54.504 55.300 0.380 0.000 0.893 835 M CB 2.474 35.204 32.600 0.217 0.000 1.730 835 M HN 1.239 nan 8.290 nan 0.000 0.483 836 F N 1.057 121.159 119.950 0.252 0.000 2.645 836 F HA 0.918 5.444 4.527 -0.001 0.000 0.310 836 F C -1.677 174.257 175.800 0.224 0.000 1.102 836 F CA -1.187 56.896 58.000 0.137 0.000 0.952 836 F CB 1.167 40.152 39.000 -0.026 0.000 1.326 836 F HN 0.781 nan 8.300 nan 0.000 0.456 837 I N -0.160 120.645 120.570 0.392 0.000 2.785 837 I HA 0.886 5.056 4.170 -0.001 0.000 0.302 837 I C -1.377 174.927 176.117 0.313 0.000 1.069 837 I CA -0.897 60.600 61.300 0.328 0.000 1.045 837 I CB 2.411 40.521 38.000 0.183 0.000 1.236 837 I HN 0.950 nan 8.210 nan 0.000 0.429 838 E N 1.940 122.306 120.200 0.278 0.000 2.412 838 E HA 0.546 4.896 4.350 -0.001 0.000 0.279 838 E C -2.059 174.623 176.600 0.138 0.000 0.984 838 E CA -0.836 55.669 56.400 0.174 0.000 0.788 838 E CB 2.263 32.049 29.700 0.144 0.000 1.277 838 E HN 0.749 nan 8.360 nan 0.000 0.455 839 D N 0.495 120.945 120.400 0.084 0.000 2.784 839 D HA 0.457 5.096 4.640 -0.001 0.000 0.256 839 D C 0.909 177.236 176.300 0.044 0.000 1.129 839 D CA -0.166 53.874 54.000 0.067 0.000 1.102 839 D CB 0.098 40.930 40.800 0.054 0.000 1.330 839 D HN 0.449 nan 8.370 nan 0.000 0.626 840 A N -0.640 122.200 122.820 0.032 0.000 1.978 840 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 840 A C 1.516 179.102 177.584 0.004 0.000 1.170 840 A CA 1.715 53.763 52.037 0.018 0.000 0.636 840 A CB -0.743 18.266 19.000 0.015 0.000 0.810 840 A HN 0.534 nan 8.150 nan 0.000 0.448 841 N N -1.875 116.827 118.700 0.004 0.000 2.397 841 N HA 0.072 4.811 4.740 -0.001 0.000 0.190 841 N C -0.459 175.042 175.510 -0.016 0.000 1.099 841 N CA 0.752 53.797 53.050 -0.008 0.000 0.876 841 N CB 0.665 39.149 38.487 -0.004 0.000 1.143 841 N HN 0.318 nan 8.380 nan 0.000 0.468 842 T N 0.619 115.169 114.554 -0.007 0.000 2.886 842 T HA 0.434 4.783 4.350 -0.001 0.000 0.292 842 T C -0.547 174.147 174.700 -0.011 0.000 1.012 842 T CA -0.655 61.437 62.100 -0.014 0.000 0.982 842 T CB 2.826 71.693 68.868 -0.001 0.000 1.018 842 T HN -0.045 nan 8.240 nan 0.000 0.451 843 R N 1.976 122.451 120.500 -0.041 0.000 2.670 843 R HA 0.748 5.087 4.340 -0.001 0.000 0.289 843 R C -1.872 174.406 176.300 -0.037 0.000 0.965 843 R CA -0.935 55.139 56.100 -0.043 0.000 0.899 843 R CB 1.232 31.437 30.300 -0.158 0.000 1.173 843 R HN 0.459 nan 8.270 nan 0.000 0.456 844 L N 2.645 123.877 121.223 0.015 0.000 2.372 844 L HA 0.479 4.818 4.340 -0.001 0.000 0.274 844 L C -1.347 175.563 176.870 0.066 0.000 0.988 844 L CA 0.074 54.917 54.840 0.005 0.000 0.833 844 L CB 2.255 44.306 42.059 -0.013 0.000 1.236 844 L HN 0.633 nan 8.230 nan 0.000 0.410 845 T N 5.626 120.199 114.554 0.033 0.000 2.797 845 T HA 0.578 4.927 4.350 -0.001 0.000 0.279 845 T C -1.021 173.745 174.700 0.110 0.000 0.991 845 T CA -0.276 61.882 62.100 0.097 0.000 0.979 845 T CB 1.438 70.293 68.868 -0.021 0.000 0.943 845 T HN 0.455 nan 8.240 nan 0.000 0.444 846 L N 5.026 126.352 121.223 0.172 0.000 2.316 846 L HA 0.522 4.861 4.340 -0.001 0.000 0.280 846 L C -1.307 175.712 176.870 0.248 0.000 1.006 846 L CA -0.707 54.245 54.840 0.186 0.000 0.836 846 L CB 0.574 42.723 42.059 0.151 0.000 1.221 846 L HN 0.417 nan 8.230 nan 0.000 0.418 847 L N 3.852 125.221 121.223 0.244 0.000 2.325 847 L HA 0.624 4.964 4.340 -0.001 0.000 0.279 847 L C 0.499 177.517 176.870 0.246 0.000 1.054 847 L CA -0.263 54.719 54.840 0.237 0.000 0.804 847 L CB 1.443 43.609 42.059 0.178 0.000 1.200 847 L HN 0.745 nan 8.230 nan 0.000 0.436 848 T N -2.260 112.393 114.554 0.167 0.000 2.885 848 T HA 0.583 4.932 4.350 -0.001 0.000 0.285 848 T C 0.761 175.423 174.700 -0.064 0.000 1.019 848 T CA -0.350 61.760 62.100 0.017 0.000 1.010 848 T CB 1.911 70.798 68.868 0.031 0.000 1.022 848 T HN 0.689 nan 8.240 nan 0.000 0.466 849 G N 1.437 110.123 108.800 -0.191 0.000 3.233 849 G HA2 0.392 4.351 3.960 -0.001 0.000 0.227 849 G HA3 0.392 4.351 3.960 -0.001 0.000 0.227 849 G C 0.206 175.041 174.900 -0.109 0.000 1.175 849 G CA -0.278 44.743 45.100 -0.130 0.000 0.781 849 G HN 0.956 nan 8.290 nan 0.000 0.542 850 Q N -0.207 119.523 119.800 -0.117 0.000 2.479 850 Q HA 0.305 4.644 4.340 -0.001 0.000 0.276 850 Q C -3.527 172.439 176.000 -0.057 0.000 0.989 850 Q CA -2.362 53.402 55.803 -0.065 0.000 0.864 850 Q CB 1.770 30.487 28.738 -0.035 0.000 1.444 850 Q HN -0.015 nan 8.270 nan 0.000 0.388 851 P HA 0.450 nan 4.420 nan 0.000 0.276 851 P C -0.653 176.641 177.300 -0.010 0.000 1.230 851 P CA -0.124 62.965 63.100 -0.018 0.000 0.776 851 P CB 0.968 32.665 31.700 -0.004 0.000 0.888 852 L N 1.334 122.546 121.223 -0.018 0.000 2.502 852 L HA 0.686 5.025 4.340 -0.001 0.000 0.253 852 L C 0.709 177.603 176.870 0.040 0.000 1.070 852 L CA -1.145 53.709 54.840 0.023 0.000 0.871 852 L CB 1.940 44.002 42.059 0.004 0.000 1.487 852 L HN 0.346 nan 8.230 nan 0.000 0.408 853 G N -1.081 107.804 108.800 0.140 0.000 2.425 853 G HA2 0.697 4.656 3.960 -0.001 0.000 0.302 853 G HA3 0.697 4.656 3.960 -0.001 0.000 0.302 853 G C -0.581 174.379 174.900 0.100 0.000 1.159 853 G CA 0.032 45.282 45.100 0.250 0.000 0.865 853 G HN 0.878 nan 8.290 nan 0.000 0.515 854 G N -1.457 107.213 108.800 -0.217 0.000 2.559 854 G HA2 0.666 4.626 3.960 -0.001 0.000 0.291 854 G HA3 0.666 4.626 3.960 -0.001 0.000 0.291 854 G C -1.205 173.252 174.900 -0.737 0.000 1.424 854 G CA 0.449 45.216 45.100 -0.555 0.000 0.786 854 G HN 1.300 nan 8.290 nan 0.000 0.485 855 S N -1.777 113.528 115.700 -0.658 0.000 2.661 855 S HA 0.747 5.216 4.470 -0.001 0.000 0.268 855 S C -1.520 172.584 174.600 -0.826 0.000 1.162 855 S CA 0.307 58.099 58.200 -0.679 0.000 0.817 855 S CB 1.373 64.226 63.200 -0.579 0.000 1.141 855 S HN 1.581 nan 8.310 nan 0.000 0.477 856 S N 1.609 116.504 115.700 -1.341 0.000 2.718 856 S HA 0.499 4.969 4.470 -0.001 0.000 0.294 856 S C 0.170 174.492 174.600 -0.464 0.000 1.157 856 S CA -0.666 57.056 58.200 -0.795 0.000 1.121 856 S CB 0.069 62.764 63.200 -0.842 0.000 1.015 856 S HN 0.586 nan 8.310 nan 0.000 0.479 857 L N 3.227 124.322 121.223 -0.213 0.000 2.558 857 L HA 0.491 4.830 4.340 -0.001 0.000 0.225 857 L C 0.868 177.717 176.870 -0.035 0.000 1.128 857 L CA 0.204 55.004 54.840 -0.068 0.000 0.868 857 L CB -0.032 42.047 42.059 0.033 0.000 1.006 857 L HN 0.697 nan 8.230 nan 0.000 0.454 858 A N -1.136 121.652 122.820 -0.054 0.000 2.612 858 A HA 0.462 4.781 4.320 -0.001 0.000 0.293 858 A C -0.493 177.078 177.584 -0.022 0.000 1.075 858 A CA -0.432 51.591 52.037 -0.023 0.000 0.680 858 A CB 1.218 20.208 19.000 -0.016 0.000 1.279 858 A HN -0.140 nan 8.150 nan 0.000 0.411 859 S N -0.195 115.507 115.700 0.002 0.000 2.563 859 S HA 0.401 4.871 4.470 -0.001 0.000 0.294 859 S C 1.482 176.089 174.600 0.012 0.000 1.279 859 S CA 1.810 60.020 58.200 0.016 0.000 1.069 859 S CB -0.161 63.053 63.200 0.023 0.000 0.828 859 S HN 2.656 nan 8.310 nan 0.000 0.497 860 G N 3.505 112.316 108.800 0.019 0.000 2.179 860 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.260 860 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.260 860 G C -0.198 174.689 174.900 -0.023 0.000 0.977 860 G CA 0.432 45.542 45.100 0.017 0.000 0.641 860 G HN 0.720 nan 8.290 nan 0.000 0.533 861 E N -0.395 119.776 120.200 -0.048 0.000 2.202 861 E HA 0.742 5.091 4.350 -0.001 0.000 0.272 861 E C -0.218 176.311 176.600 -0.119 0.000 0.951 861 E CA -0.717 55.632 56.400 -0.085 0.000 0.813 861 E CB 1.855 31.503 29.700 -0.086 0.000 1.151 861 E HN 0.242 nan 8.360 nan 0.000 0.398 862 L N 2.051 123.200 121.223 -0.124 0.000 2.381 862 L HA 0.452 4.791 4.340 -0.001 0.000 0.268 862 L C -0.474 176.319 176.870 -0.129 0.000 0.997 862 L CA -0.633 54.125 54.840 -0.137 0.000 0.818 862 L CB 1.922 43.933 42.059 -0.081 0.000 1.310 862 L HN 0.661 nan 8.230 nan 0.000 0.416 863 E N 3.328 123.443 120.200 -0.142 0.000 2.356 863 E HA 0.710 5.059 4.350 -0.001 0.000 0.275 863 E C -1.537 175.019 176.600 -0.074 0.000 0.904 863 E CA -0.839 55.513 56.400 -0.081 0.000 0.757 863 E CB 3.401 33.097 29.700 -0.006 0.000 1.232 863 E HN 0.539 nan 8.360 nan 0.000 0.442 864 I N 2.383 122.951 120.570 -0.003 0.000 2.571 864 I HA 0.306 4.475 4.170 -0.001 0.000 0.289 864 I C -1.325 174.866 176.117 0.125 0.000 1.115 864 I CA -1.143 60.182 61.300 0.042 0.000 1.045 864 I CB 1.951 39.978 38.000 0.045 0.000 1.238 864 I HN 0.785 nan 8.210 nan 0.000 0.424 865 M N 6.301 126.015 119.600 0.190 0.000 2.238 865 M HA 0.208 4.687 4.480 -0.001 0.000 0.347 865 M C 0.527 176.930 176.300 0.171 0.000 1.173 865 M CA 0.692 56.107 55.300 0.191 0.000 1.147 865 M CB 0.886 33.567 32.600 0.135 0.000 1.547 865 M HN 0.579 nan 8.290 nan 0.000 0.455 866 Q N 1.382 121.316 119.800 0.222 0.000 2.387 866 Q HA 0.272 4.611 4.340 -0.001 0.000 0.208 866 Q C -0.300 175.917 176.000 0.362 0.000 0.935 866 Q CA 0.794 56.795 55.803 0.330 0.000 0.891 866 Q CB 0.445 29.415 28.738 0.387 0.000 1.007 866 Q HN 0.770 nan 8.270 nan 0.000 0.548 867 D N -0.880 119.663 120.400 0.238 0.000 2.671 867 D HA 0.298 4.937 4.640 -0.001 0.000 0.273 867 D C -1.435 174.941 176.300 0.127 0.000 1.264 867 D CA -0.470 53.646 54.000 0.193 0.000 0.788 867 D CB 1.462 42.369 40.800 0.178 0.000 1.324 867 D HN 0.037 nan 8.370 nan 0.000 0.424 868 R N 0.788 121.352 120.500 0.106 0.000 2.548 868 R HA 0.662 5.001 4.340 -0.001 0.000 0.280 868 R C -1.010 175.339 176.300 0.082 0.000 1.061 868 R CA -1.039 55.106 56.100 0.076 0.000 0.915 868 R CB 2.057 32.372 30.300 0.025 0.000 1.210 868 R HN 0.285 nan 8.270 nan 0.000 0.442 869 R N 3.678 124.225 120.500 0.077 0.000 2.409 869 R HA 0.463 4.802 4.340 -0.001 0.000 0.313 869 R C -1.396 174.944 176.300 0.067 0.000 0.953 869 R CA -0.564 55.579 56.100 0.071 0.000 0.849 869 R CB 1.205 31.545 30.300 0.066 0.000 1.171 869 R HN 0.693 nan 8.270 nan 0.000 0.458 870 L N 3.714 124.975 121.223 0.063 0.000 2.376 870 L HA 0.527 4.866 4.340 -0.001 0.000 0.275 870 L C 0.564 177.466 176.870 0.053 0.000 0.987 870 L CA -0.480 54.396 54.840 0.060 0.000 0.828 870 L CB 2.165 44.259 42.059 0.059 0.000 1.249 870 L HN 0.775 nan 8.230 nan 0.000 0.409 871 A N 1.576 124.425 122.820 0.049 0.000 2.275 871 A HA 0.331 4.650 4.320 -0.001 0.000 0.212 871 A C 0.714 178.323 177.584 0.041 0.000 1.201 871 A CA 0.210 52.274 52.037 0.044 0.000 0.843 871 A CB 0.100 19.124 19.000 0.039 0.000 0.873 871 A HN 0.586 nan 8.150 nan 0.000 0.492 872 S N -0.179 115.547 115.700 0.043 0.000 2.607 872 S HA 0.421 4.890 4.470 -0.001 0.000 0.303 872 S C -0.796 173.831 174.600 0.045 0.000 1.086 872 S CA -0.655 57.570 58.200 0.040 0.000 0.995 872 S CB 1.549 64.772 63.200 0.038 0.000 1.084 872 S HN 0.471 nan 8.310 nan 0.000 0.507 873 D N 0.565 120.992 120.400 0.045 0.000 2.341 873 D HA 0.208 4.847 4.640 -0.001 0.000 0.245 873 D C -0.065 176.262 176.300 0.045 0.000 1.106 873 D CA -0.273 53.761 54.000 0.056 0.000 0.905 873 D CB 0.671 41.503 40.800 0.054 0.000 1.202 873 D HN 0.504 nan 8.370 nan 0.000 0.426 874 D N 1.854 122.286 120.400 0.054 0.000 2.463 874 D HA 0.061 4.701 4.640 -0.001 0.000 0.224 874 D C -0.366 175.911 176.300 -0.038 0.000 1.174 874 D CA -0.266 53.737 54.000 0.005 0.000 0.829 874 D CB -0.457 40.338 40.800 -0.008 0.000 0.993 874 D HN 0.688 nan 8.370 nan 0.000 0.497 875 E N -0.196 120.004 120.200 0.000 0.000 2.637 875 E HA -0.208 4.141 4.350 -0.001 0.000 0.265 875 E C 0.136 176.711 176.600 -0.041 0.000 1.073 875 E CA 0.222 56.617 56.400 -0.008 0.000 0.778 875 E CB -0.793 28.897 29.700 -0.015 0.000 1.362 875 E HN 0.216 nan 8.360 nan 0.000 0.413 876 R N -0.529 119.923 120.500 -0.080 0.000 2.577 876 R HA 0.247 4.587 4.340 -0.001 0.000 0.344 876 R C 1.312 177.674 176.300 0.104 0.000 1.037 876 R CA 0.620 56.602 56.100 -0.198 0.000 1.102 876 R CB 1.007 30.752 30.300 -0.925 0.000 1.313 876 R HN 0.402 nan 8.270 nan 0.000 0.561 877 G N 0.694 109.638 108.800 0.239 0.000 2.218 877 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.216 877 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.216 877 G C 0.741 175.782 174.900 0.236 0.000 0.994 877 G CA 0.179 45.502 45.100 0.371 0.000 0.637 877 G HN 0.290 nan 8.290 nan 0.000 0.505 878 L N 1.572 123.010 121.223 0.358 0.000 2.093 878 L HA 0.430 4.769 4.340 -0.001 0.000 0.208 878 L C 2.244 179.126 176.870 0.019 0.000 1.085 878 L CA 2.720 57.661 54.840 0.169 0.000 0.755 878 L CB -0.686 41.590 42.059 0.363 0.000 0.904 878 L HN 1.677 nan 8.230 nan 0.000 0.435 879 G N -0.291 108.549 108.800 0.066 0.000 2.249 879 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.273 879 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.273 879 G C 0.060 174.977 174.900 0.029 0.000 1.036 879 G CA 0.723 45.842 45.100 0.030 0.000 0.824 879 G HN 0.774 nan 8.290 nan 0.000 0.504 880 Q N -2.140 117.691 119.800 0.051 0.000 2.633 880 Q HA 0.680 5.019 4.340 -0.001 0.000 0.289 880 Q C 0.389 176.426 176.000 0.061 0.000 0.940 880 Q CA -0.657 55.175 55.803 0.048 0.000 0.785 880 Q CB 0.480 29.243 28.738 0.042 0.000 1.467 880 Q HN 0.905 nan 8.270 nan 0.000 0.401 881 G N 0.090 108.922 108.800 0.054 0.000 2.531 881 G HA2 0.512 4.471 3.960 -0.001 0.000 0.253 881 G HA3 0.512 4.471 3.960 -0.001 0.000 0.253 881 G C -0.934 174.000 174.900 0.057 0.000 1.439 881 G CA -0.639 44.494 45.100 0.055 0.000 1.056 881 G HN 0.400 nan 8.290 nan 0.000 0.555 882 V N 0.744 120.693 119.914 0.059 0.000 2.325 882 V HA 0.366 4.486 4.120 -0.001 0.000 0.280 882 V C 0.029 176.163 176.094 0.068 0.000 1.016 882 V CA -0.152 62.188 62.300 0.068 0.000 0.818 882 V CB 0.981 32.846 31.823 0.071 0.000 1.019 882 V HN 0.539 nan 8.190 nan 0.000 0.434 883 L N 3.547 124.809 121.223 0.066 0.000 3.333 883 L HA 0.331 4.671 4.340 -0.001 0.000 0.299 883 L C 0.405 177.310 176.870 0.059 0.000 1.256 883 L CA 0.038 54.913 54.840 0.058 0.000 1.037 883 L CB 0.785 42.873 42.059 0.048 0.000 1.423 883 L HN 0.689 nan 8.230 nan 0.000 0.605 884 D N -2.349 118.095 120.400 0.073 0.000 2.559 884 D HA 0.080 4.719 4.640 -0.001 0.000 0.234 884 D C 0.098 176.448 176.300 0.084 0.000 1.226 884 D CA -0.459 53.585 54.000 0.074 0.000 0.830 884 D CB -0.377 40.475 40.800 0.087 0.000 1.028 884 D HN 0.056 nan 8.370 nan 0.000 0.492 885 N N 1.659 120.407 118.700 0.079 0.000 2.395 885 N HA 0.131 4.871 4.740 -0.001 0.000 0.246 885 N C 0.122 175.650 175.510 0.031 0.000 1.246 885 N CA 0.300 53.398 53.050 0.079 0.000 0.879 885 N CB 0.685 39.216 38.487 0.072 0.000 1.098 885 N HN 0.297 nan 8.380 nan 0.000 0.444 886 K N -0.238 120.167 120.400 0.008 0.000 2.508 886 K HA 0.561 4.880 4.320 -0.001 0.000 0.260 886 K C -3.227 173.353 176.600 -0.032 0.000 0.949 886 K CA -2.078 54.167 56.287 -0.069 0.000 0.834 886 K CB 1.375 33.737 32.500 -0.231 0.000 1.365 886 K HN 0.132 nan 8.250 nan 0.000 0.437 887 P HA -0.025 nan 4.420 nan 0.000 0.265 887 P C -0.998 176.326 177.300 0.040 0.000 1.193 887 P CA -0.441 62.645 63.100 -0.024 0.000 0.765 887 P CB 0.756 32.429 31.700 -0.046 0.000 0.823 888 V N 5.086 124.988 119.914 -0.020 0.000 2.789 888 V HA 0.489 4.608 4.120 -0.001 0.000 0.311 888 V C -1.312 174.649 176.094 -0.222 0.000 1.073 888 V CA -1.124 61.140 62.300 -0.059 0.000 0.921 888 V CB 2.118 33.888 31.823 -0.089 0.000 1.009 888 V HN 0.285 nan 8.190 nan 0.000 0.426 889 L N 6.914 128.035 121.223 -0.171 0.000 2.272 889 L HA 0.590 4.930 4.340 -0.001 0.000 0.284 889 L C -0.358 176.482 176.870 -0.050 0.000 1.045 889 L CA 0.143 54.915 54.840 -0.114 0.000 0.842 889 L CB 0.282 42.298 42.059 -0.072 0.000 1.224 889 L HN 0.704 nan 8.230 nan 0.000 0.430 890 H N 5.596 124.683 119.070 0.030 0.000 2.582 890 H HA 0.486 5.041 4.556 -0.001 0.000 0.345 890 H C -0.098 175.147 175.328 -0.138 0.000 1.104 890 H CA -0.198 55.813 56.048 -0.061 0.000 1.390 890 H CB 1.305 31.098 29.762 0.051 0.000 1.461 890 H HN 0.698 nan 8.280 nan 0.000 0.551 891 I N 0.136 120.566 120.570 -0.234 0.000 2.689 891 I HA 0.591 4.760 4.170 -0.001 0.000 0.299 891 I C -1.432 174.384 176.117 -0.502 0.000 1.059 891 I CA -0.933 60.242 61.300 -0.209 0.000 1.055 891 I CB 2.060 40.014 38.000 -0.076 0.000 1.243 891 I HN 0.238 nan 8.210 nan 0.000 0.425 892 Y N 2.813 123.158 120.300 0.076 0.000 2.625 892 Y HA 0.704 5.253 4.550 -0.001 0.000 0.338 892 Y C -0.564 175.385 175.900 0.081 0.000 1.123 892 Y CA -1.094 57.058 58.100 0.087 0.000 1.046 892 Y CB 1.564 40.096 38.460 0.120 0.000 1.299 892 Y HN 0.418 nan 8.280 nan 0.000 0.464 893 R N 1.389 122.045 120.500 0.259 0.000 2.686 893 R HA 0.612 4.951 4.340 -0.001 0.000 0.286 893 R C -1.927 174.484 176.300 0.185 0.000 0.969 893 R CA -1.122 55.085 56.100 0.179 0.000 0.898 893 R CB 2.572 32.939 30.300 0.112 0.000 1.183 893 R HN 0.657 nan 8.270 nan 0.000 0.456 894 L N 2.427 123.742 121.223 0.153 0.000 2.343 894 L HA 0.450 4.790 4.340 -0.001 0.000 0.278 894 L C -1.257 175.650 176.870 0.061 0.000 0.996 894 L CA -0.578 54.334 54.840 0.120 0.000 0.831 894 L CB 1.880 44.030 42.059 0.151 0.000 1.232 894 L HN 0.310 nan 8.230 nan 0.000 0.413 895 V N 6.158 126.092 119.914 0.033 0.000 2.350 895 V HA 0.452 4.572 4.120 -0.001 0.000 0.285 895 V C -0.429 175.647 176.094 -0.030 0.000 1.014 895 V CA -0.562 61.737 62.300 -0.002 0.000 0.831 895 V CB 1.422 33.236 31.823 -0.016 0.000 1.000 895 V HN 0.658 nan 8.190 nan 0.000 0.433 896 L N 5.152 126.354 121.223 -0.036 0.000 2.296 896 L HA 0.722 5.061 4.340 -0.001 0.000 0.286 896 L C -0.267 176.570 176.870 -0.054 0.000 1.023 896 L CA 0.480 55.290 54.840 -0.049 0.000 0.812 896 L CB 1.400 43.428 42.059 -0.052 0.000 1.223 896 L HN 0.728 nan 8.230 nan 0.000 0.421 897 E N 3.805 123.965 120.200 -0.067 0.000 2.340 897 E HA 0.414 4.764 4.350 -0.001 0.000 0.273 897 E C -1.228 175.332 176.600 -0.067 0.000 0.891 897 E CA -1.188 55.168 56.400 -0.073 0.000 0.757 897 E CB 1.646 31.284 29.700 -0.103 0.000 1.231 897 E HN 0.293 nan 8.360 nan 0.000 0.439 898 K N 1.566 121.930 120.400 -0.060 0.000 2.339 898 K HA 0.151 4.470 4.320 -0.001 0.000 0.286 898 K C 0.459 177.020 176.600 -0.065 0.000 1.050 898 K CA -0.045 56.211 56.287 -0.053 0.000 0.956 898 K CB 1.061 33.534 32.500 -0.044 0.000 0.990 898 K HN 0.471 nan 8.250 nan 0.000 0.475 899 V N -0.534 119.343 119.914 -0.063 0.000 3.330 899 V HA 0.018 4.138 4.120 -0.001 0.000 0.309 899 V C 1.175 177.235 176.094 -0.057 0.000 1.481 899 V CA -0.279 61.975 62.300 -0.076 0.000 1.068 899 V CB -0.196 31.565 31.823 -0.104 0.000 0.935 899 V HN 0.614 nan 8.190 nan 0.000 0.453 900 N N 1.486 120.161 118.700 -0.042 0.000 2.381 900 N HA -0.165 4.575 4.740 -0.001 0.000 0.182 900 N C 1.022 176.511 175.510 -0.035 0.000 1.025 900 N CA 1.654 54.685 53.050 -0.031 0.000 0.888 900 N CB -0.540 37.934 38.487 -0.023 0.000 0.965 900 N HN 0.540 nan 8.380 nan 0.000 0.438 901 N N 0.100 118.774 118.700 -0.042 0.000 2.412 901 N HA 0.051 4.790 4.740 -0.001 0.000 0.184 901 N C -0.196 175.282 175.510 -0.053 0.000 1.101 901 N CA -0.035 52.989 53.050 -0.044 0.000 0.881 901 N CB -0.046 38.415 38.487 -0.043 0.000 0.969 901 N HN 0.226 nan 8.380 nan 0.000 0.459 902 c N 1.325 119.887 118.600 -0.063 0.000 2.593 902 c HA 0.250 4.819 4.570 -0.001 0.000 0.409 902 c C 1.021 175.071 174.090 -0.068 0.000 1.304 902 c CA -0.953 55.330 56.329 -0.077 0.000 2.007 902 c CB 0.679 43.129 42.510 -0.100 0.000 2.614 902 c HN 0.014 nan 8.230 nan 0.000 0.585 903 V N 5.835 125.704 119.914 -0.074 0.000 2.370 903 V HA 0.213 4.332 4.120 -0.001 0.000 0.257 903 V C 0.631 176.681 176.094 -0.073 0.000 1.064 903 V CA 0.331 62.590 62.300 -0.068 0.000 0.975 903 V CB -0.649 31.129 31.823 -0.075 0.000 1.067 903 V HN 0.799 nan 8.190 nan 0.000 0.485 904 R N 4.602 125.071 120.500 -0.051 0.000 2.758 904 R HA 0.546 4.885 4.340 -0.001 0.000 0.265 904 R C -2.473 173.813 176.300 -0.024 0.000 1.016 904 R CA -1.882 54.196 56.100 -0.036 0.000 1.040 904 R CB 1.003 31.286 30.300 -0.028 0.000 1.152 904 R HN 0.383 nan 8.270 nan 0.000 0.503 905 P HA -0.035 nan 4.420 nan 0.000 0.270 905 P C -0.344 176.985 177.300 0.049 0.000 1.223 905 P CA -0.138 62.934 63.100 -0.046 0.000 0.785 905 P CB 0.604 32.219 31.700 -0.142 0.000 0.923 906 S N 1.042 116.794 115.700 0.087 0.000 2.617 906 S HA 0.072 4.542 4.470 -0.001 0.000 0.259 906 S C 1.337 176.015 174.600 0.131 0.000 1.301 906 S CA -0.251 58.010 58.200 0.101 0.000 0.984 906 S CB 0.387 63.646 63.200 0.098 0.000 0.954 906 S HN 0.529 nan 8.310 nan 0.000 0.572 907 K N -0.273 120.185 120.400 0.098 0.000 2.147 907 K HA 0.011 4.331 4.320 -0.001 0.000 0.205 907 K C 1.491 178.145 176.600 0.090 0.000 1.049 907 K CA 1.265 57.605 56.287 0.089 0.000 0.936 907 K CB -0.431 32.105 32.500 0.060 0.000 0.722 907 K HN 0.727 nan 8.250 nan 0.000 0.446 908 L N 0.546 121.825 121.223 0.092 0.000 2.592 908 L HA 0.069 4.408 4.340 -0.001 0.000 0.227 908 L C 0.981 177.905 176.870 0.090 0.000 1.127 908 L CA -0.257 54.622 54.840 0.066 0.000 0.884 908 L CB -0.282 41.803 42.059 0.042 0.000 1.065 908 L HN 0.267 nan 8.230 nan 0.000 0.457 909 H N 2.948 122.055 119.070 0.061 0.000 2.683 909 H HA 0.102 4.657 4.556 -0.001 0.000 0.339 909 H C -1.601 173.768 175.328 0.069 0.000 1.081 909 H CA -1.266 54.832 56.048 0.083 0.000 1.432 909 H CB 1.937 31.776 29.762 0.128 0.000 1.462 909 H HN -0.063 nan 8.280 nan 0.000 0.557 910 P HA 0.124 nan 4.420 nan 0.000 0.245 910 P C -0.276 177.113 177.300 0.149 0.000 1.206 910 P CA 0.171 63.289 63.100 0.031 0.000 0.781 910 P CB 0.540 32.191 31.700 -0.081 0.000 0.994 911 A N -0.202 122.870 122.820 0.420 0.000 2.299 911 A HA 0.737 5.056 4.320 -0.001 0.000 0.332 911 A C 0.263 177.913 177.584 0.109 0.000 1.131 911 A CA -0.307 51.862 52.037 0.220 0.000 0.844 911 A CB 1.041 20.149 19.000 0.180 0.000 1.251 911 A HN 0.167 nan 8.150 nan 0.000 0.486 912 G N -1.310 107.419 108.800 -0.117 0.000 2.605 912 G HA2 0.631 4.591 3.960 -0.001 0.000 0.296 912 G HA3 0.631 4.591 3.960 -0.001 0.000 0.296 912 G C -1.825 172.701 174.900 -0.623 0.000 1.304 912 G CA -0.401 44.541 45.100 -0.263 0.000 0.941 912 G HN 0.521 nan 8.290 nan 0.000 0.475 913 Y N -0.642 119.616 120.300 -0.070 0.000 2.492 913 Y HA 0.458 5.007 4.550 -0.001 0.000 0.346 913 Y C 0.424 176.085 175.900 -0.399 0.000 0.997 913 Y CA -0.850 57.145 58.100 -0.176 0.000 1.025 913 Y CB 1.969 40.318 38.460 -0.185 0.000 1.263 913 Y HN 0.356 nan 8.280 nan 0.000 0.454 914 L N 2.344 123.400 121.223 -0.279 0.000 2.473 914 L HA 0.286 4.626 4.340 -0.001 0.000 0.268 914 L C 0.777 177.498 176.870 -0.249 0.000 1.215 914 L CA -0.392 54.215 54.840 -0.388 0.000 0.823 914 L CB 0.530 42.449 42.059 -0.235 0.000 1.099 914 L HN 0.775 nan 8.230 nan 0.000 0.483 915 T N -2.408 111.989 114.554 -0.261 0.000 2.816 915 T HA 0.049 4.398 4.350 -0.001 0.000 0.282 915 T C 1.159 175.811 174.700 -0.080 0.000 0.993 915 T CA -0.165 61.833 62.100 -0.169 0.000 0.994 915 T CB 1.478 70.243 68.868 -0.171 0.000 1.025 915 T HN 0.641 nan 8.240 nan 0.000 0.529 916 S N 0.804 116.471 115.700 -0.056 0.000 2.365 916 S HA -0.178 4.291 4.470 -0.001 0.000 0.225 916 S C 2.367 176.982 174.600 0.025 0.000 1.039 916 S CA 1.577 59.780 58.200 0.004 0.000 1.033 916 S CB -1.258 61.928 63.200 -0.023 0.000 0.887 916 S HN 0.938 nan 8.310 nan 0.000 0.447 917 A N 1.374 124.185 122.820 -0.016 0.000 1.908 917 A HA 0.156 4.476 4.320 -0.001 0.000 0.218 917 A C 2.513 180.096 177.584 -0.002 0.000 1.181 917 A CA 2.053 54.083 52.037 -0.012 0.000 0.627 917 A CB -1.449 17.534 19.000 -0.028 0.000 0.818 917 A HN 0.873 nan 8.150 nan 0.000 0.445 918 A N -1.151 121.656 122.820 -0.022 0.000 1.930 918 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 918 A C 2.011 179.633 177.584 0.064 0.000 1.175 918 A CA 2.017 54.048 52.037 -0.009 0.000 0.627 918 A CB -0.799 18.145 19.000 -0.092 0.000 0.815 918 A HN 0.776 nan 8.150 nan 0.000 0.443 919 H N 0.096 119.156 119.070 -0.016 0.000 2.357 919 H HA -0.014 4.541 4.556 -0.001 0.000 0.301 919 H C 1.904 177.270 175.328 0.064 0.000 1.082 919 H CA 2.134 58.208 56.048 0.043 0.000 1.342 919 H CB -0.102 29.679 29.762 0.032 0.000 1.389 919 H HN 0.404 nan 8.280 nan 0.000 0.511 920 K N -0.197 120.162 120.400 -0.067 0.000 2.097 920 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 920 K C 2.357 178.920 176.600 -0.061 0.000 1.049 920 K CA 0.920 57.147 56.287 -0.100 0.000 0.933 920 K CB -0.130 32.359 32.500 -0.018 0.000 0.717 920 K HN 0.383 nan 8.250 nan 0.000 0.442 921 A N 0.876 123.686 122.820 -0.016 0.000 1.898 921 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 921 A C 2.223 179.813 177.584 0.011 0.000 1.181 921 A CA 1.978 54.020 52.037 0.009 0.000 0.620 921 A CB -0.670 18.351 19.000 0.034 0.000 0.819 921 A HN 0.279 nan 8.150 nan 0.000 0.442 922 S N -0.577 115.139 115.700 0.026 0.000 2.359 922 S HA -0.260 4.209 4.470 -0.001 0.000 0.224 922 S C 2.152 176.745 174.600 -0.012 0.000 1.035 922 S CA 1.830 60.061 58.200 0.052 0.000 1.018 922 S CB -0.439 62.844 63.200 0.138 0.000 0.876 922 S HN 0.670 nan 8.310 nan 0.000 0.448 923 Q N 0.545 120.293 119.800 -0.087 0.000 2.181 923 Q HA -0.107 4.232 4.340 -0.001 0.000 0.205 923 Q C 2.510 178.458 176.000 -0.086 0.000 0.980 923 Q CA 1.707 57.453 55.803 -0.095 0.000 0.862 923 Q CB -0.341 28.314 28.738 -0.139 0.000 0.905 923 Q HN 0.820 nan 8.270 nan 0.000 0.429 924 S N 0.207 115.866 115.700 -0.068 0.000 2.423 924 S HA -0.085 4.384 4.470 -0.001 0.000 0.231 924 S C 1.863 176.404 174.600 -0.098 0.000 1.014 924 S CA 0.672 58.828 58.200 -0.072 0.000 0.965 924 S CB -0.223 62.954 63.200 -0.038 0.000 0.785 924 S HN 0.288 nan 8.310 nan 0.000 0.495 925 L N 0.038 121.214 121.223 -0.078 0.000 2.102 925 L HA 0.203 4.542 4.340 -0.001 0.000 0.202 925 L C 2.558 179.342 176.870 -0.144 0.000 1.076 925 L CA 0.834 55.620 54.840 -0.090 0.000 0.761 925 L CB -0.379 41.651 42.059 -0.047 0.000 0.921 925 L HN 0.291 nan 8.230 nan 0.000 0.444 926 L N -1.239 119.905 121.223 -0.131 0.000 2.249 926 L HA 0.023 4.362 4.340 -0.001 0.000 0.207 926 L C 0.153 176.867 176.870 -0.260 0.000 1.090 926 L CA 0.775 55.517 54.840 -0.162 0.000 0.802 926 L CB 0.120 42.119 42.059 -0.100 0.000 0.947 926 L HN 0.203 nan 8.230 nan 0.000 0.453 927 D N 0.300 120.540 120.400 -0.268 0.000 2.656 927 D HA 0.232 4.871 4.640 -0.001 0.000 0.303 927 D C -2.372 173.688 176.300 -0.399 0.000 1.199 927 D CA -1.002 52.765 54.000 -0.389 0.000 0.797 927 D CB 1.360 42.129 40.800 -0.052 0.000 1.170 927 D HN 0.035 nan 8.370 nan 0.000 0.509 928 P HA 0.118 nan 4.420 nan 0.000 0.273 928 P C 0.630 177.781 177.300 -0.249 0.000 1.250 928 P CA -0.488 62.422 63.100 -0.317 0.000 0.793 928 P CB 1.522 33.038 31.700 -0.306 0.000 1.011 929 L N 0.880 122.026 121.223 -0.129 0.000 2.506 929 L HA 0.073 4.413 4.340 -0.001 0.000 0.281 929 L C 0.883 177.748 176.870 -0.008 0.000 1.228 929 L CA 0.484 55.302 54.840 -0.036 0.000 0.850 929 L CB -0.288 41.768 42.059 -0.006 0.000 1.110 929 L HN 0.289 nan 8.230 nan 0.000 0.496 930 D N 2.986 123.470 120.400 0.140 0.000 2.210 930 D HA 0.343 4.982 4.640 -0.001 0.000 0.249 930 D C -0.345 176.000 176.300 0.076 0.000 1.062 930 D CA -0.305 53.766 54.000 0.120 0.000 0.891 930 D CB 1.748 42.717 40.800 0.282 0.000 1.186 930 D HN 0.356 nan 8.370 nan 0.000 0.432 931 K N 1.370 121.693 120.400 -0.128 0.000 2.345 931 K HA 0.491 4.811 4.320 -0.001 0.000 0.255 931 K C -1.027 175.502 176.600 -0.117 0.000 0.934 931 K CA -0.657 55.656 56.287 0.043 0.000 0.801 931 K CB 1.618 34.103 32.500 -0.025 0.000 1.137 931 K HN 0.233 nan 8.250 nan 0.000 0.424 932 F N 2.488 122.655 119.950 0.362 0.000 2.540 932 F HA 0.498 5.024 4.527 -0.001 0.000 0.317 932 F C -0.035 176.073 175.800 0.515 0.000 1.104 932 F CA -0.864 57.342 58.000 0.343 0.000 0.913 932 F CB 1.346 40.383 39.000 0.062 0.000 1.170 932 F HN 0.187 nan 8.300 nan 0.000 0.450 933 I N 3.336 124.300 120.570 0.656 0.000 2.378 933 I HA 0.224 4.393 4.170 -0.001 0.000 0.291 933 I C -0.596 175.814 176.117 0.488 0.000 0.992 933 I CA -0.857 60.755 61.300 0.520 0.000 1.154 933 I CB 1.350 39.552 38.000 0.337 0.000 1.315 933 I HN 0.441 nan 8.210 nan 0.000 0.448 934 F N 5.755 125.873 119.950 0.281 0.000 2.578 934 F HA 0.195 4.721 4.527 -0.001 0.000 0.376 934 F C 1.169 176.895 175.800 -0.124 0.000 1.085 934 F CA 0.021 57.887 58.000 -0.223 0.000 1.260 934 F CB 1.185 40.105 39.000 -0.133 0.000 1.095 934 F HN 0.582 nan 8.300 nan 0.000 0.573 935 A N 4.518 126.696 122.820 -1.070 0.000 2.132 935 A HA 0.131 4.451 4.320 -0.001 0.000 0.213 935 A C 0.759 178.070 177.584 -0.455 0.000 1.154 935 A CA 0.401 52.092 52.037 -0.577 0.000 0.753 935 A CB -0.302 18.369 19.000 -0.549 0.000 0.826 935 A HN 0.782 nan 8.150 nan 0.000 0.469 936 E N -1.072 118.742 120.200 -0.644 0.000 2.303 936 E HA 0.232 4.581 4.350 -0.001 0.000 0.254 936 E C -0.010 176.737 176.600 0.246 0.000 0.979 936 E CA -0.933 55.403 56.400 -0.107 0.000 0.843 936 E CB 0.520 30.203 29.700 -0.027 0.000 1.245 936 E HN 0.120 nan 8.360 nan 0.000 0.413 937 N N 0.652 119.496 118.700 0.239 0.000 2.216 937 N HA -0.081 4.658 4.740 -0.001 0.000 0.183 937 N C -0.193 175.517 175.510 0.334 0.000 1.017 937 N CA 1.085 54.287 53.050 0.254 0.000 0.861 937 N CB 0.255 38.836 38.487 0.157 0.000 0.986 937 N HN 0.412 nan 8.380 nan 0.000 0.428 938 E N -0.627 119.797 120.200 0.374 0.000 2.234 938 E HA 0.117 4.466 4.350 -0.001 0.000 0.266 938 E C -1.503 175.271 176.600 0.290 0.000 0.877 938 E CA -0.671 55.903 56.400 0.291 0.000 0.758 938 E CB 1.415 31.226 29.700 0.185 0.000 1.170 938 E HN 0.020 nan 8.360 nan 0.000 0.415 939 W N 7.537 128.659 121.300 -0.296 0.000 2.278 939 W HA 0.414 5.073 4.660 -0.001 0.000 0.317 939 W C -1.357 175.016 176.519 -0.244 0.000 1.030 939 W CA -1.365 55.611 57.345 -0.616 0.000 1.334 939 W CB -0.075 28.441 29.460 -1.574 0.000 1.215 939 W HN 0.426 nan 8.180 nan 0.000 0.405 940 I N 6.076 126.779 120.570 0.221 0.000 2.496 940 I HA 0.319 4.488 4.170 -0.001 0.000 0.285 940 I C 1.503 177.634 176.117 0.023 0.000 1.080 940 I CA 0.901 62.250 61.300 0.082 0.000 1.404 940 I CB 0.688 38.762 38.000 0.122 0.000 1.403 940 I HN 0.802 nan 8.210 nan 0.000 0.539 941 G N 4.195 112.919 108.800 -0.126 0.000 2.143 941 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.248 941 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.248 941 G C 0.385 175.055 174.900 -0.383 0.000 0.991 941 G CA -0.065 44.941 45.100 -0.156 0.000 0.689 941 G HN 1.028 nan 8.290 nan 0.000 0.522 942 A N -0.388 121.930 122.820 -0.837 0.000 2.498 942 A HA 0.568 4.887 4.320 -0.001 0.000 0.239 942 A C 0.611 177.771 177.584 -0.707 0.000 1.068 942 A CA 0.614 51.804 52.037 -1.411 0.000 0.766 942 A CB 0.292 17.889 19.000 -2.338 0.000 1.003 942 A HN 0.601 nan 8.150 nan 0.000 0.497 943 Q N 0.848 120.321 119.800 -0.545 0.000 2.348 943 Q HA 0.498 4.837 4.340 -0.001 0.000 0.271 943 Q C 0.979 176.865 176.000 -0.190 0.000 1.067 943 Q CA -0.220 55.424 55.803 -0.266 0.000 0.839 943 Q CB 1.939 30.591 28.738 -0.144 0.000 1.354 943 Q HN 0.808 nan 8.270 nan 0.000 0.447 944 G N 0.227 108.956 108.800 -0.119 0.000 2.683 944 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.213 944 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.213 944 G C 0.295 175.178 174.900 -0.029 0.000 1.142 944 G CA 0.595 45.645 45.100 -0.083 0.000 0.793 944 G HN 0.460 nan 8.290 nan 0.000 0.534 945 Q N -1.567 118.227 119.800 -0.009 0.000 2.578 945 Q HA 0.535 4.874 4.340 -0.001 0.000 0.284 945 Q C -2.366 173.662 176.000 0.047 0.000 0.960 945 Q CA -0.936 54.878 55.803 0.018 0.000 0.809 945 Q CB 2.127 30.862 28.738 -0.005 0.000 1.462 945 Q HN 0.045 nan 8.270 nan 0.000 0.392 946 F N 0.792 120.646 119.950 -0.159 0.000 2.569 946 F HA 0.640 5.166 4.527 -0.001 0.000 0.312 946 F C 0.495 176.039 175.800 -0.427 0.000 1.109 946 F CA 0.457 58.294 58.000 -0.272 0.000 0.919 946 F CB 2.108 40.954 39.000 -0.255 0.000 1.211 946 F HN 0.667 nan 8.300 nan 0.000 0.446 947 G N 3.012 110.836 108.800 -1.626 0.000 2.141 947 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.242 947 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.242 947 G C 1.046 175.289 174.900 -1.095 0.000 0.982 947 G CA 0.307 44.197 45.100 -2.016 0.000 0.662 947 G HN 1.579 nan 8.290 nan 0.000 0.527 948 G N 1.238 109.684 108.800 -0.589 0.000 2.462 948 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.220 948 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.220 948 G C 1.290 176.151 174.900 -0.064 0.000 1.121 948 G CA 1.834 46.834 45.100 -0.166 0.000 0.758 948 G HN 0.842 nan 8.290 nan 0.000 0.559 949 D N -0.699 119.567 120.400 -0.224 0.000 2.339 949 D HA 0.010 4.649 4.640 -0.001 0.000 0.217 949 D C 0.375 176.675 176.300 0.001 0.000 1.050 949 D CA -0.384 53.568 54.000 -0.081 0.000 0.856 949 D CB -0.817 39.935 40.800 -0.081 0.000 0.922 949 D HN 0.469 nan 8.370 nan 0.000 0.518 950 H N 1.503 120.474 119.070 -0.165 0.000 2.764 950 H HA 0.222 4.778 4.556 -0.001 0.000 0.341 950 H C -1.898 173.412 175.328 -0.029 0.000 1.072 950 H CA -1.762 54.213 56.048 -0.122 0.000 1.444 950 H CB 0.660 30.297 29.762 -0.209 0.000 1.458 950 H HN 0.051 nan 8.280 nan 0.000 0.572 951 P HA -0.052 nan 4.420 nan 0.000 0.269 951 P C -0.490 176.891 177.300 0.134 0.000 1.209 951 P CA -0.137 63.036 63.100 0.120 0.000 0.776 951 P CB 0.804 32.550 31.700 0.077 0.000 0.876 952 S N 1.584 117.397 115.700 0.189 0.000 2.466 952 S HA 0.560 5.029 4.470 -0.001 0.000 0.313 952 S C 0.070 174.787 174.600 0.195 0.000 1.078 952 S CA -0.601 57.743 58.200 0.240 0.000 1.115 952 S CB -0.799 62.660 63.200 0.431 0.000 1.006 952 S HN 0.539 nan 8.310 nan 0.000 0.487 953 A N 4.357 127.283 122.820 0.176 0.000 2.346 953 A HA 0.489 4.808 4.320 -0.001 0.000 0.252 953 A C 0.600 178.259 177.584 0.126 0.000 1.089 953 A CA -0.507 51.612 52.037 0.136 0.000 0.797 953 A CB 0.207 19.282 19.000 0.125 0.000 1.047 953 A HN 0.896 nan 8.150 nan 0.000 0.494 954 R N -0.077 120.468 120.500 0.074 0.000 2.697 954 R HA -0.024 4.315 4.340 -0.001 0.000 0.265 954 R C 1.436 177.753 176.300 0.030 0.000 1.009 954 R CA 0.905 57.024 56.100 0.032 0.000 1.099 954 R CB 0.325 30.627 30.300 0.004 0.000 0.965 954 R HN 0.925 nan 8.270 nan 0.000 0.428 955 E N 1.717 121.897 120.200 -0.032 0.000 2.265 955 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 955 E C 0.382 177.026 176.600 0.074 0.000 0.996 955 E CA 1.535 57.892 56.400 -0.071 0.000 0.832 955 E CB -0.056 29.579 29.700 -0.108 0.000 0.756 955 E HN 0.740 nan 8.360 nan 0.000 0.491 956 D N 0.777 121.185 120.400 0.013 0.000 2.355 956 D HA -0.041 4.599 4.640 -0.001 0.000 0.218 956 D C 0.492 176.800 176.300 0.015 0.000 1.004 956 D CA -0.008 53.961 54.000 -0.051 0.000 0.880 956 D CB -0.087 40.621 40.800 -0.152 0.000 0.911 956 D HN 0.197 nan 8.370 nan 0.000 0.528 957 L N 0.908 122.182 121.223 0.086 0.000 2.289 957 L HA 0.488 4.828 4.340 -0.001 0.000 0.285 957 L C -1.064 175.936 176.870 0.217 0.000 1.049 957 L CA -0.431 54.476 54.840 0.111 0.000 0.804 957 L CB 1.502 43.615 42.059 0.090 0.000 1.195 957 L HN -0.226 nan 8.230 nan 0.000 0.428 958 D N 2.628 123.178 120.400 0.249 0.000 2.575 958 D HA 0.376 5.015 4.640 -0.001 0.000 0.236 958 D C -1.310 175.154 176.300 0.272 0.000 1.075 958 D CA -0.279 53.890 54.000 0.282 0.000 0.860 958 D CB 2.397 43.408 40.800 0.353 0.000 1.475 958 D HN 0.255 nan 8.370 nan 0.000 0.474 959 V N 3.347 123.398 119.914 0.229 0.000 2.284 959 V HA 0.136 4.255 4.120 -0.001 0.000 0.260 959 V C 1.230 177.460 176.094 0.227 0.000 1.084 959 V CA -0.020 62.427 62.300 0.244 0.000 0.894 959 V CB 0.579 32.531 31.823 0.215 0.000 1.119 959 V HN 0.590 nan 8.190 nan 0.000 0.484 960 S N 3.280 119.144 115.700 0.274 0.000 2.402 960 S HA 0.023 4.492 4.470 -0.001 0.000 0.229 960 S C 0.621 175.276 174.600 0.091 0.000 1.021 960 S CA 0.726 59.040 58.200 0.190 0.000 0.974 960 S CB 0.222 63.604 63.200 0.303 0.000 0.800 960 S HN 0.500 nan 8.310 nan 0.000 0.484 961 V N 1.627 121.638 119.914 0.161 0.000 2.686 961 V HA 0.531 4.650 4.120 -0.001 0.000 0.306 961 V C -0.792 175.377 176.094 0.125 0.000 1.065 961 V CA -0.557 61.817 62.300 0.122 0.000 0.894 961 V CB 1.879 33.810 31.823 0.180 0.000 1.004 961 V HN 0.368 nan 8.190 nan 0.000 0.424 962 M N 5.651 125.243 119.600 -0.013 0.000 2.151 962 M HA 0.681 5.160 4.480 -0.001 0.000 0.290 962 M C -1.121 175.010 176.300 -0.281 0.000 0.965 962 M CA -0.477 54.679 55.300 -0.241 0.000 0.930 962 M CB 1.481 33.946 32.600 -0.224 0.000 1.560 962 M HN 0.749 nan 8.290 nan 0.000 0.438 963 R N 4.044 124.308 120.500 -0.392 0.000 2.515 963 R HA 0.430 4.769 4.340 -0.001 0.000 0.291 963 R C -1.380 174.702 176.300 -0.364 0.000 1.046 963 R CA -0.683 55.244 56.100 -0.288 0.000 0.914 963 R CB 1.876 32.092 30.300 -0.140 0.000 1.191 963 R HN 0.907 nan 8.270 nan 0.000 0.435 964 R N 4.492 124.831 120.500 -0.269 0.000 2.442 964 R HA 0.121 4.460 4.340 -0.001 0.000 0.291 964 R C 0.268 176.464 176.300 -0.172 0.000 1.069 964 R CA 0.120 56.089 56.100 -0.219 0.000 1.022 964 R CB 0.601 30.823 30.300 -0.130 0.000 0.976 964 R HN 0.698 nan 8.270 nan 0.000 0.443 965 L N 2.895 124.010 121.223 -0.179 0.000 2.590 965 L HA 0.137 4.476 4.340 -0.001 0.000 0.227 965 L C 0.416 177.239 176.870 -0.078 0.000 1.099 965 L CA 0.070 54.827 54.840 -0.138 0.000 0.872 965 L CB 0.400 42.348 42.059 -0.186 0.000 1.088 965 L HN 0.697 nan 8.230 nan 0.000 0.479 966 T N -2.517 111.999 114.554 -0.064 0.000 2.885 966 T HA 0.427 4.776 4.350 -0.001 0.000 0.285 966 T C -0.138 174.553 174.700 -0.015 0.000 1.019 966 T CA -0.932 61.147 62.100 -0.035 0.000 1.010 966 T CB 2.375 71.228 68.868 -0.026 0.000 1.022 966 T HN -0.098 nan 8.240 nan 0.000 0.466 967 K N 1.028 121.424 120.400 -0.006 0.000 2.102 967 K HA 0.282 4.601 4.320 -0.001 0.000 0.244 967 K C 1.633 178.244 176.600 0.018 0.000 1.021 967 K CA -0.212 56.082 56.287 0.011 0.000 0.913 967 K CB 0.760 33.266 32.500 0.010 0.000 1.062 967 K HN 0.827 nan 8.250 nan 0.000 0.485 968 S N -0.695 115.024 115.700 0.032 0.000 2.474 968 S HA -0.135 4.335 4.470 -0.001 0.000 0.235 968 S C 1.814 176.427 174.600 0.021 0.000 0.997 968 S CA 1.399 59.617 58.200 0.031 0.000 0.949 968 S CB -0.277 62.949 63.200 0.043 0.000 0.766 968 S HN 0.637 nan 8.310 nan 0.000 0.517 969 S N 1.666 117.377 115.700 0.019 0.000 2.481 969 S HA 0.375 4.844 4.470 -0.001 0.000 0.231 969 S C 0.876 175.482 174.600 0.010 0.000 0.996 969 S CA 0.110 58.319 58.200 0.015 0.000 0.942 969 S CB -0.724 62.484 63.200 0.014 0.000 0.768 969 S HN 0.796 nan 8.310 nan 0.000 0.520 970 A N 1.914 124.738 122.820 0.006 0.000 2.492 970 A HA 0.327 4.646 4.320 -0.001 0.000 0.254 970 A C 1.257 178.846 177.584 0.007 0.000 1.091 970 A CA -0.227 51.812 52.037 0.002 0.000 0.768 970 A CB 0.082 19.080 19.000 -0.004 0.000 1.028 970 A HN 0.505 nan 8.150 nan 0.000 0.498 971 K N 1.678 122.082 120.400 0.005 0.000 2.074 971 K HA -0.111 4.208 4.320 -0.001 0.000 0.209 971 K C 0.130 176.738 176.600 0.014 0.000 1.048 971 K CA 1.775 58.067 56.287 0.009 0.000 0.926 971 K CB -0.058 32.444 32.500 0.005 0.000 0.713 971 K HN 0.669 nan 8.250 nan 0.000 0.444 972 T N 2.324 116.882 114.554 0.008 0.000 2.781 972 T HA 0.184 4.533 4.350 -0.001 0.000 0.305 972 T C -0.870 173.841 174.700 0.019 0.000 1.001 972 T CA -0.655 61.452 62.100 0.012 0.000 0.950 972 T CB 1.402 70.266 68.868 -0.006 0.000 0.955 972 T HN 0.083 nan 8.240 nan 0.000 0.471 973 Q N 2.720 122.550 119.800 0.051 0.000 2.299 973 Q HA 0.442 4.781 4.340 -0.001 0.000 0.246 973 Q C 0.056 176.107 176.000 0.085 0.000 0.935 973 Q CA -0.048 55.787 55.803 0.053 0.000 0.887 973 Q CB 1.483 30.251 28.738 0.051 0.000 1.223 973 Q HN 0.533 nan 8.270 nan 0.000 0.439 974 R N 0.410 120.924 120.500 0.024 0.000 2.575 974 R HA 0.636 4.975 4.340 -0.001 0.000 0.293 974 R C -1.132 175.116 176.300 -0.088 0.000 0.983 974 R CA -0.622 55.476 56.100 -0.003 0.000 0.887 974 R CB 1.910 32.175 30.300 -0.058 0.000 1.184 974 R HN 0.270 nan 8.270 nan 0.000 0.445 975 V N 1.483 121.337 119.914 -0.099 0.000 2.588 975 V HA 0.614 4.734 4.120 -0.001 0.000 0.304 975 V C 0.212 176.002 176.094 -0.506 0.000 1.042 975 V CA -0.840 61.261 62.300 -0.332 0.000 0.877 975 V CB 2.053 33.685 31.823 -0.319 0.000 0.996 975 V HN 0.938 nan 8.190 nan 0.000 0.425 976 G N 2.772 111.069 108.800 -0.838 0.000 2.371 976 G HA2 0.668 4.628 3.960 -0.001 0.000 0.326 976 G HA3 0.668 4.628 3.960 -0.001 0.000 0.326 976 G C -1.675 172.764 174.900 -0.768 0.000 1.127 976 G CA -0.303 44.103 45.100 -1.158 0.000 0.885 976 G HN 0.502 nan 8.290 nan 0.000 0.477 977 Y N 0.323 120.667 120.300 0.073 0.000 2.425 977 Y HA 0.491 5.040 4.550 -0.001 0.000 0.344 977 Y C -0.119 176.053 175.900 0.454 0.000 0.969 977 Y CA -0.898 57.357 58.100 0.259 0.000 1.052 977 Y CB 2.801 41.387 38.460 0.209 0.000 1.215 977 Y HN 0.346 nan 8.280 nan 0.000 0.451 978 V N 5.068 125.288 119.914 0.510 0.000 2.384 978 V HA 0.413 4.532 4.120 -0.001 0.000 0.287 978 V C -0.457 175.873 176.094 0.393 0.000 1.020 978 V CA -0.775 61.757 62.300 0.387 0.000 0.850 978 V CB 1.440 33.445 31.823 0.303 0.000 0.987 978 V HN 0.592 nan 8.190 nan 0.000 0.436 979 L N 4.719 126.161 121.223 0.365 0.000 2.313 979 L HA 0.579 4.918 4.340 -0.001 0.000 0.283 979 L C -0.803 176.276 176.870 0.348 0.000 1.013 979 L CA -0.622 54.425 54.840 0.345 0.000 0.816 979 L CB 1.610 43.868 42.059 0.332 0.000 1.236 979 L HN 0.704 nan 8.230 nan 0.000 0.419 980 H N 3.700 122.927 119.070 0.261 0.000 2.529 980 H HA 0.466 5.021 4.556 -0.001 0.000 0.348 980 H C -1.047 174.370 175.328 0.149 0.000 1.079 980 H CA -0.624 55.545 56.048 0.203 0.000 1.198 980 H CB 1.540 31.488 29.762 0.311 0.000 1.521 980 H HN 0.469 nan 8.280 nan 0.000 0.514 981 R N 4.258 124.399 120.500 -0.599 0.000 2.393 981 R HA 0.322 4.661 4.340 -0.001 0.000 0.315 981 R C -0.401 175.470 176.300 -0.714 0.000 0.952 981 R CA -0.494 55.338 56.100 -0.446 0.000 0.842 981 R CB 1.249 31.418 30.300 -0.218 0.000 1.163 981 R HN 0.752 nan 8.270 nan 0.000 0.450 982 T N 1.606 115.878 114.554 -0.470 0.000 2.793 982 T HA 0.165 4.514 4.350 -0.001 0.000 0.299 982 T C -0.484 174.032 174.700 -0.307 0.000 1.038 982 T CA -0.387 61.518 62.100 -0.325 0.000 0.948 982 T CB 0.544 69.291 68.868 -0.201 0.000 1.231 982 T HN 0.683 nan 8.240 nan 0.000 0.538 983 N N 0.573 119.117 118.700 -0.261 0.000 2.399 983 N HA 0.473 5.212 4.740 -0.001 0.000 0.284 983 N C -1.445 173.903 175.510 -0.270 0.000 1.025 983 N CA -0.504 52.339 53.050 -0.344 0.000 0.885 983 N CB 0.664 38.798 38.487 -0.588 0.000 1.339 983 N HN 0.462 nan 8.380 nan 0.000 0.487 984 L N 2.611 123.674 121.223 -0.267 0.000 2.331 984 L HA 0.540 4.879 4.340 -0.001 0.000 0.275 984 L C 0.526 177.272 176.870 -0.206 0.000 1.022 984 L CA -1.007 53.712 54.840 -0.203 0.000 0.812 984 L CB 1.557 43.509 42.059 -0.178 0.000 1.257 984 L HN 0.378 nan 8.230 nan 0.000 0.435 985 M N 2.197 121.696 119.600 -0.168 0.000 2.248 985 M HA 0.074 4.553 4.480 -0.001 0.000 0.345 985 M C -0.180 176.032 176.300 -0.145 0.000 1.243 985 M CA -0.005 55.197 55.300 -0.162 0.000 1.090 985 M CB 0.371 32.878 32.600 -0.155 0.000 1.683 985 M HN 0.471 nan 8.290 nan 0.000 0.450 986 Q N 2.109 121.826 119.800 -0.138 0.000 2.295 986 Q HA 0.191 4.530 4.340 -0.001 0.000 0.259 986 Q C -0.149 175.793 176.000 -0.097 0.000 0.976 986 Q CA 0.134 55.870 55.803 -0.112 0.000 0.923 986 Q CB 0.997 29.671 28.738 -0.107 0.000 1.185 986 Q HN 0.828 nan 8.270 nan 0.000 0.410 987 c N 0.504 119.052 118.600 -0.087 0.000 3.365 987 c HA 0.385 4.955 4.570 -0.001 0.000 0.266 987 c C 1.257 175.309 174.090 -0.063 0.000 1.631 987 c CA -0.015 56.268 56.329 -0.077 0.000 1.789 987 c CB -0.199 42.261 42.510 -0.084 0.000 3.088 987 c HN 1.015 nan 8.230 nan 0.000 0.547 988 G N 1.270 110.034 108.800 -0.061 0.000 2.176 988 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.232 988 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.232 988 G C 0.063 174.934 174.900 -0.048 0.000 0.986 988 G CA 0.302 45.372 45.100 -0.051 0.000 0.643 988 G HN 0.454 nan 8.290 nan 0.000 0.522 989 T N 3.382 117.905 114.554 -0.051 0.000 2.784 989 T HA 0.466 4.815 4.350 -0.001 0.000 0.291 989 T C -1.786 172.885 174.700 -0.049 0.000 0.942 989 T CA -0.276 61.796 62.100 -0.046 0.000 1.161 989 T CB 1.312 70.153 68.868 -0.046 0.000 0.885 989 T HN 0.241 nan 8.240 nan 0.000 0.534 990 P HA 0.169 nan 4.420 nan 0.000 0.268 990 P C -0.063 177.205 177.300 -0.053 0.000 1.204 990 P CA -0.405 62.667 63.100 -0.048 0.000 0.768 990 P CB 0.490 32.168 31.700 -0.037 0.000 0.842 991 E N 2.787 122.946 120.200 -0.070 0.000 2.257 991 E HA 0.034 4.383 4.350 -0.001 0.000 0.278 991 E C 0.133 176.679 176.600 -0.091 0.000 1.049 991 E CA -0.483 55.870 56.400 -0.079 0.000 0.876 991 E CB 0.505 30.148 29.700 -0.096 0.000 1.035 991 E HN 0.442 nan 8.360 nan 0.000 0.419 992 E N 4.696 124.863 120.200 -0.055 0.000 2.392 992 E HA 0.041 4.391 4.350 -0.001 0.000 0.259 992 E C -0.356 176.216 176.600 -0.047 0.000 1.108 992 E CA -0.437 55.952 56.400 -0.019 0.000 0.916 992 E CB 0.544 30.256 29.700 0.020 0.000 0.989 992 E HN 0.557 nan 8.360 nan 0.000 0.432 993 H N 1.064 120.127 119.070 -0.012 0.000 2.928 993 H HA 0.065 4.620 4.556 -0.001 0.000 0.338 993 H C 0.182 175.512 175.328 0.003 0.000 1.047 993 H CA 0.816 56.860 56.048 -0.007 0.000 1.435 993 H CB 0.784 30.542 29.762 -0.007 0.000 1.428 993 H HN 0.626 nan 8.280 nan 0.000 0.590 994 T N 0.428 115.048 114.554 0.110 0.000 2.901 994 T HA 0.356 4.706 4.350 -0.001 0.000 0.293 994 T C -0.245 174.507 174.700 0.087 0.000 1.084 994 T CA -1.233 60.921 62.100 0.091 0.000 1.008 994 T CB 2.071 70.977 68.868 0.062 0.000 1.170 994 T HN 0.507 nan 8.240 nan 0.000 0.509 995 Q N 0.816 120.669 119.800 0.089 0.000 2.299 995 Q HA 0.359 4.699 4.340 -0.001 0.000 0.246 995 Q C -0.192 175.841 176.000 0.055 0.000 0.935 995 Q CA -0.723 55.123 55.803 0.071 0.000 0.887 995 Q CB 1.172 29.958 28.738 0.080 0.000 1.223 995 Q HN 0.548 nan 8.270 nan 0.000 0.439 996 K N 1.723 122.144 120.400 0.034 0.000 2.412 996 K HA 0.104 4.423 4.320 -0.001 0.000 0.281 996 K C -0.979 175.629 176.600 0.013 0.000 1.027 996 K CA -0.323 55.974 56.287 0.016 0.000 0.989 996 K CB 0.377 32.877 32.500 -0.001 0.000 0.935 996 K HN 0.383 nan 8.250 nan 0.000 0.475 997 L N 4.665 125.892 121.223 0.007 0.000 2.265 997 L HA 0.277 4.616 4.340 -0.001 0.000 0.289 997 L C -1.106 175.730 176.870 -0.057 0.000 1.033 997 L CA -0.070 54.764 54.840 -0.010 0.000 0.814 997 L CB 1.192 43.256 42.059 0.009 0.000 1.203 997 L HN 0.557 nan 8.230 nan 0.000 0.423 998 D N 3.622 123.980 120.400 -0.068 0.000 2.472 998 D HA 0.158 4.798 4.640 -0.001 0.000 0.234 998 D C 1.108 177.312 176.300 -0.159 0.000 1.088 998 D CA -0.265 53.672 54.000 -0.105 0.000 0.882 998 D CB 1.220 42.005 40.800 -0.024 0.000 1.037 998 D HN 0.398 nan 8.370 nan 0.000 0.520 999 V N 1.442 121.160 119.914 -0.326 0.000 2.594 999 V HA -0.196 3.923 4.120 -0.001 0.000 0.253 999 V C 2.170 177.962 176.094 -0.504 0.000 1.069 999 V CA 1.091 63.017 62.300 -0.623 0.000 1.082 999 V CB -1.113 30.052 31.823 -1.097 0.000 0.680 999 V HN 0.605 nan 8.190 nan 0.000 0.469 1000 c N 0.501 118.931 118.600 -0.283 0.000 2.437 1000 c HA 0.008 4.577 4.570 -0.001 0.000 0.283 1000 c C 2.069 176.040 174.090 -0.199 0.000 1.424 1000 c CA 1.207 57.431 56.329 -0.176 0.000 1.782 1000 c CB -1.750 40.644 42.510 -0.193 0.000 1.833 1000 c HN 0.761 nan 8.230 nan 0.000 0.532 1001 H N -0.861 118.188 119.070 -0.035 0.000 2.505 1001 H HA 0.268 4.824 4.556 -0.001 0.000 0.286 1001 H C 1.602 176.962 175.328 0.053 0.000 1.072 1001 H CA -0.035 56.032 56.048 0.031 0.000 1.141 1001 H CB 0.036 29.799 29.762 0.001 0.000 1.550 1001 H HN 0.354 nan 8.280 nan 0.000 0.547 1002 L N -0.091 121.194 121.223 0.102 0.000 2.240 1002 L HA 0.045 4.384 4.340 -0.001 0.000 0.211 1002 L C 0.074 177.089 176.870 0.241 0.000 1.106 1002 L CA 0.780 55.711 54.840 0.151 0.000 0.793 1002 L CB 0.196 42.314 42.059 0.099 0.000 0.927 1002 L HN 0.217 nan 8.230 nan 0.000 0.446 1003 L N -0.136 121.190 121.223 0.171 0.000 2.334 1003 L HA 0.433 4.772 4.340 -0.001 0.000 0.273 1003 L C -2.141 174.780 176.870 0.085 0.000 1.013 1003 L CA -2.081 52.788 54.840 0.049 0.000 0.816 1003 L CB 1.500 43.377 42.059 -0.303 0.000 1.278 1003 L HN -0.217 nan 8.230 nan 0.000 0.431 1004 P HA 0.072 nan 4.420 nan 0.000 0.272 1004 P C -0.691 176.727 177.300 0.196 0.000 1.240 1004 P CA -0.150 63.020 63.100 0.115 0.000 0.791 1004 P CB 0.413 32.156 31.700 0.070 0.000 0.978 1005 N N -2.715 116.084 118.700 0.165 0.000 2.754 1005 N HA -0.134 4.606 4.740 -0.001 0.000 0.248 1005 N C -0.041 175.561 175.510 0.153 0.000 1.093 1005 N CA 0.429 53.567 53.050 0.147 0.000 0.699 1005 N CB -2.109 36.450 38.487 0.119 0.000 1.016 1005 N HN 0.329 nan 8.380 nan 0.000 0.552 1006 V N 0.114 120.082 119.914 0.089 0.000 2.655 1006 V HA 0.340 4.460 4.120 -0.001 0.000 0.300 1006 V C 1.373 177.378 176.094 -0.149 0.000 1.044 1006 V CA 1.116 63.289 62.300 -0.212 0.000 1.095 1006 V CB 1.210 32.811 31.823 -0.371 0.000 0.952 1006 V HN 0.443 nan 8.190 nan 0.000 0.485 1007 A N 6.949 129.654 122.820 -0.193 0.000 2.192 1007 A HA 0.484 4.803 4.320 -0.001 0.000 0.208 1007 A C 0.981 178.525 177.584 -0.066 0.000 1.220 1007 A CA 0.093 52.076 52.037 -0.089 0.000 0.900 1007 A CB 0.248 19.208 19.000 -0.065 0.000 0.937 1007 A HN 0.789 nan 8.150 nan 0.000 0.487 1008 R N -1.876 118.554 120.500 -0.116 0.000 2.690 1008 R HA 0.496 4.836 4.340 -0.001 0.000 0.269 1008 R C -2.291 173.978 176.300 -0.051 0.000 1.037 1008 R CA -0.298 55.793 56.100 -0.016 0.000 0.877 1008 R CB 1.484 31.778 30.300 -0.011 0.000 1.255 1008 R HN 0.333 nan 8.270 nan 0.000 0.467 1009 c N 2.282 120.911 118.600 0.048 0.000 2.481 1009 c HA 0.636 5.205 4.570 -0.001 0.000 0.324 1009 c C -1.374 172.806 174.090 0.150 0.000 1.170 1009 c CA -0.188 56.165 56.329 0.039 0.000 1.361 1009 c CB 1.261 43.752 42.510 -0.032 0.000 1.977 1009 c HN 0.925 nan 8.230 nan 0.000 0.459 1010 E N 3.023 123.333 120.200 0.184 0.000 2.293 1010 E HA 0.449 4.798 4.350 -0.001 0.000 0.270 1010 E C -1.059 175.718 176.600 0.294 0.000 0.879 1010 E CA -0.678 55.851 56.400 0.215 0.000 0.756 1010 E CB 2.014 31.803 29.700 0.149 0.000 1.208 1010 E HN 0.656 nan 8.360 nan 0.000 0.428 1011 R N 1.290 121.948 120.500 0.265 0.000 2.390 1011 R HA 0.348 4.687 4.340 -0.001 0.000 0.291 1011 R C -0.483 175.851 176.300 0.057 0.000 1.070 1011 R CA 0.164 56.342 56.100 0.130 0.000 1.014 1011 R CB 0.673 31.023 30.300 0.084 0.000 1.007 1011 R HN 0.709 nan 8.270 nan 0.000 0.466 1012 T N -0.516 114.041 114.554 0.005 0.000 2.887 1012 T HA 0.348 4.697 4.350 -0.001 0.000 0.292 1012 T C 0.038 174.730 174.700 -0.014 0.000 1.087 1012 T CA -0.810 61.318 62.100 0.048 0.000 1.009 1012 T CB 1.353 70.319 68.868 0.163 0.000 1.203 1012 T HN 0.621 nan 8.240 nan 0.000 0.518 1013 T N 0.096 114.647 114.554 -0.006 0.000 2.795 1013 T HA 0.224 4.573 4.350 -0.001 0.000 0.314 1013 T C 1.522 176.159 174.700 -0.106 0.000 1.069 1013 T CA -0.696 61.378 62.100 -0.043 0.000 1.071 1013 T CB -0.046 68.810 68.868 -0.020 0.000 0.988 1013 T HN 0.566 nan 8.240 nan 0.000 0.543 1014 L N 1.061 122.201 121.223 -0.137 0.000 2.465 1014 L HA -0.004 4.335 4.340 -0.001 0.000 0.224 1014 L C 2.759 179.334 176.870 -0.492 0.000 1.145 1014 L CA 1.210 55.900 54.840 -0.249 0.000 0.834 1014 L CB -0.915 41.078 42.059 -0.110 0.000 0.944 1014 L HN 0.980 nan 8.230 nan 0.000 0.451 1015 T N -4.912 109.454 114.554 -0.314 0.000 3.129 1015 T HA 0.018 4.367 4.350 -0.001 0.000 0.251 1015 T C 0.703 175.260 174.700 -0.238 0.000 1.117 1015 T CA -0.236 61.688 62.100 -0.294 0.000 1.034 1015 T CB -0.111 68.728 68.868 -0.048 0.000 0.968 1015 T HN 0.196 nan 8.240 nan 0.000 0.526 1016 F N -0.885 119.080 119.950 0.025 0.000 2.840 1016 F HA -0.177 4.349 4.527 -0.001 0.000 0.310 1016 F C 0.954 176.757 175.800 0.004 0.000 0.688 1016 F CA -0.191 57.816 58.000 0.012 0.000 1.286 1016 F CB -2.376 36.626 39.000 0.004 0.000 1.612 1016 F HN 0.248 nan 8.300 nan 0.000 0.335 1017 L N -0.947 120.352 121.223 0.127 0.000 2.554 1017 L HA 0.145 4.484 4.340 -0.001 0.000 0.225 1017 L C 1.020 177.915 176.870 0.043 0.000 1.104 1017 L CA 0.770 55.656 54.840 0.076 0.000 0.866 1017 L CB 0.294 42.380 42.059 0.046 0.000 1.047 1017 L HN 0.333 nan 8.230 nan 0.000 0.468 1018 Q N 0.426 120.251 119.800 0.042 0.000 2.305 1018 Q HA 0.283 4.623 4.340 -0.001 0.000 0.271 1018 Q C -1.216 174.804 176.000 0.033 0.000 1.046 1018 Q CA -0.699 55.117 55.803 0.021 0.000 0.798 1018 Q CB 1.974 30.710 28.738 -0.003 0.000 1.286 1018 Q HN 0.062 nan 8.270 nan 0.000 0.435 1019 N N 4.208 122.925 118.700 0.028 0.000 2.458 1019 N HA 0.209 4.948 4.740 -0.001 0.000 0.270 1019 N C 0.292 175.820 175.510 0.031 0.000 1.102 1019 N CA 0.166 53.239 53.050 0.039 0.000 0.967 1019 N CB 1.140 39.645 38.487 0.031 0.000 1.078 1019 N HN 0.642 nan 8.380 nan 0.000 0.471 1020 L N 0.557 121.803 121.223 0.039 0.000 2.470 1020 L HA 0.295 4.634 4.340 -0.001 0.000 0.219 1020 L C 0.557 177.456 176.870 0.048 0.000 1.071 1020 L CA 0.435 55.292 54.840 0.029 0.000 0.850 1020 L CB 0.321 42.386 42.059 0.010 0.000 1.040 1020 L HN 0.513 nan 8.230 nan 0.000 0.475 1021 E N -0.390 119.858 120.200 0.080 0.000 2.343 1021 E HA 0.119 4.468 4.350 -0.001 0.000 0.286 1021 E C -1.231 175.469 176.600 0.165 0.000 0.915 1021 E CA -0.511 55.952 56.400 0.105 0.000 0.784 1021 E CB 1.338 31.095 29.700 0.094 0.000 1.251 1021 E HN 0.111 nan 8.360 nan 0.000 0.407 1022 H N 6.017 125.112 119.070 0.042 0.000 2.690 1022 H HA 0.290 4.845 4.556 -0.001 0.000 0.314 1022 H C -0.730 174.623 175.328 0.041 0.000 1.069 1022 H CA -0.446 55.625 56.048 0.037 0.000 1.436 1022 H CB 0.703 30.478 29.762 0.021 0.000 1.462 1022 H HN 0.386 nan 8.280 nan 0.000 0.511 1023 L N 5.261 126.443 121.223 -0.069 0.000 2.275 1023 L HA 0.100 4.439 4.340 -0.001 0.000 0.288 1023 L C 0.124 176.854 176.870 -0.233 0.000 1.046 1023 L CA -0.866 53.911 54.840 -0.105 0.000 0.805 1023 L CB 1.154 43.215 42.059 0.003 0.000 1.193 1023 L HN 0.670 nan 8.230 nan 0.000 0.426 1024 D N 2.751 123.048 120.400 -0.173 0.000 2.487 1024 D HA 0.144 4.783 4.640 -0.001 0.000 0.243 1024 D C 1.141 177.391 176.300 -0.084 0.000 1.154 1024 D CA 1.354 55.268 54.000 -0.144 0.000 0.876 1024 D CB 1.150 41.899 40.800 -0.085 0.000 1.161 1024 D HN 0.832 nan 8.370 nan 0.000 0.478 1025 G N 3.346 112.106 108.800 -0.066 0.000 2.155 1025 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.257 1025 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.257 1025 G C 0.829 175.764 174.900 0.058 0.000 0.983 1025 G CA 0.401 45.498 45.100 -0.005 0.000 0.676 1025 G HN 0.654 nan 8.290 nan 0.000 0.528 1026 M N -2.600 117.002 119.600 0.003 0.000 2.503 1026 M HA -0.198 4.281 4.480 -0.001 0.000 0.199 1026 M C 0.184 176.512 176.300 0.046 0.000 0.466 1026 M CA 0.959 56.259 55.300 -0.002 0.000 0.510 1026 M CB -1.689 30.885 32.600 -0.042 0.000 1.858 1026 M HN 0.226 nan 8.290 nan 0.000 0.799 1027 V N 0.854 120.790 119.914 0.036 0.000 2.370 1027 V HA 0.690 4.809 4.120 -0.001 0.000 0.283 1027 V C 0.666 176.692 176.094 -0.114 0.000 1.023 1027 V CA -0.327 61.983 62.300 0.015 0.000 0.857 1027 V CB 1.672 33.495 31.823 -0.001 0.000 0.985 1027 V HN 0.375 nan 8.190 nan 0.000 0.443 1028 A N 8.018 130.688 122.820 -0.250 0.000 2.302 1028 A HA 0.700 5.020 4.320 -0.001 0.000 0.295 1028 A C -2.397 174.929 177.584 -0.430 0.000 1.235 1028 A CA -1.367 50.306 52.037 -0.606 0.000 0.876 1028 A CB -0.004 18.339 19.000 -1.094 0.000 1.133 1028 A HN 0.644 nan 8.150 nan 0.000 0.533 1029 P HA 0.154 nan 4.420 nan 0.000 0.269 1029 P C -0.100 177.187 177.300 -0.021 0.000 1.209 1029 P CA -0.013 63.045 63.100 -0.070 0.000 0.776 1029 P CB 0.558 32.282 31.700 0.039 0.000 0.876 1030 E N 0.109 120.313 120.200 0.007 0.000 2.371 1030 E HA 0.277 4.626 4.350 -0.001 0.000 0.257 1030 E C 0.059 176.712 176.600 0.088 0.000 1.134 1030 E CA -0.829 55.604 56.400 0.056 0.000 0.919 1030 E CB 0.492 30.208 29.700 0.026 0.000 1.025 1030 E HN 0.278 nan 8.360 nan 0.000 0.438 1031 V N -1.639 118.330 119.914 0.092 0.000 2.975 1031 V HA 0.403 4.522 4.120 -0.001 0.000 0.318 1031 V C 0.093 176.195 176.094 0.014 0.000 1.077 1031 V CA -1.121 61.223 62.300 0.074 0.000 1.000 1031 V CB 1.315 33.192 31.823 0.090 0.000 1.066 1031 V HN 0.763 nan 8.190 nan 0.000 0.452 1032 c N 2.266 120.868 118.600 0.005 0.000 2.580 1032 c HA 0.430 4.999 4.570 -0.001 0.000 0.371 1032 c C -2.092 171.949 174.090 -0.082 0.000 1.308 1032 c CA -0.291 56.021 56.329 -0.028 0.000 2.428 1032 c CB -0.136 42.372 42.510 -0.002 0.000 2.529 1032 c HN 0.825 nan 8.230 nan 0.000 0.657 1033 P HA 0.028 nan 4.420 nan 0.000 0.262 1033 P C 0.257 177.420 177.300 -0.229 0.000 1.182 1033 P CA 0.979 63.951 63.100 -0.214 0.000 0.761 1033 P CB 0.159 31.711 31.700 -0.247 0.000 0.795 1034 M N -1.108 118.309 119.600 -0.305 0.000 2.939 1034 M HA -0.174 4.305 4.480 -0.001 0.000 0.194 1034 M C -0.136 176.209 176.300 0.074 0.000 0.617 1034 M CA 1.317 56.444 55.300 -0.289 0.000 0.734 1034 M CB -2.064 30.056 32.600 -0.799 0.000 2.637 1034 M HN 0.407 nan 8.290 nan 0.000 0.316 1035 E N 0.524 120.741 120.200 0.029 0.000 2.222 1035 E HA 0.703 5.052 4.350 -0.001 0.000 0.272 1035 E C 0.054 176.747 176.600 0.154 0.000 0.982 1035 E CA -0.069 56.415 56.400 0.140 0.000 0.842 1035 E CB 1.439 31.181 29.700 0.070 0.000 1.144 1035 E HN 0.154 nan 8.360 nan 0.000 0.397 1036 T N 0.584 115.242 114.554 0.174 0.000 2.861 1036 T HA 0.707 5.056 4.350 -0.001 0.000 0.287 1036 T C -0.817 173.909 174.700 0.044 0.000 1.003 1036 T CA -0.689 61.521 62.100 0.183 0.000 0.977 1036 T CB 1.633 70.618 68.868 0.194 0.000 0.996 1036 T HN 0.499 nan 8.240 nan 0.000 0.448 1037 A N 1.786 124.634 122.820 0.047 0.000 2.498 1037 A HA 0.979 5.298 4.320 -0.001 0.000 0.298 1037 A C -0.941 176.549 177.584 -0.157 0.000 1.075 1037 A CA -0.923 51.041 52.037 -0.120 0.000 0.714 1037 A CB 1.518 20.413 19.000 -0.176 0.000 1.299 1037 A HN 1.121 nan 8.150 nan 0.000 0.407 1038 A N 0.447 123.082 122.820 -0.309 0.000 2.374 1038 A HA 0.853 5.172 4.320 -0.001 0.000 0.317 1038 A C -1.599 175.777 177.584 -0.346 0.000 1.094 1038 A CA -0.373 51.599 52.037 -0.109 0.000 0.765 1038 A CB 0.821 19.826 19.000 0.007 0.000 1.268 1038 A HN 0.885 nan 8.150 nan 0.000 0.438 1039 Y N -0.090 120.422 120.300 0.354 0.000 2.492 1039 Y HA 0.558 5.107 4.550 -0.001 0.000 0.346 1039 Y C -0.325 175.727 175.900 0.253 0.000 0.997 1039 Y CA -0.860 57.396 58.100 0.260 0.000 1.025 1039 Y CB 2.488 41.069 38.460 0.201 0.000 1.263 1039 Y HN 0.424 nan 8.280 nan 0.000 0.454 1040 V N 2.508 122.608 119.914 0.309 0.000 2.487 1040 V HA 0.538 4.657 4.120 -0.001 0.000 0.298 1040 V C -0.640 175.525 176.094 0.118 0.000 1.028 1040 V CA -0.912 61.461 62.300 0.122 0.000 0.860 1040 V CB 1.792 33.627 31.823 0.019 0.000 0.991 1040 V HN 0.821 nan 8.190 nan 0.000 0.427 1041 S N 3.360 119.129 115.700 0.115 0.000 2.489 1041 S HA 0.746 5.215 4.470 -0.001 0.000 0.291 1041 S C -0.299 174.225 174.600 -0.127 0.000 1.151 1041 S CA -0.596 57.602 58.200 -0.002 0.000 1.082 1041 S CB 1.634 64.908 63.200 0.123 0.000 1.019 1041 S HN 0.567 nan 8.310 nan 0.000 0.492 1042 S N 2.487 117.993 115.700 -0.323 0.000 2.501 1042 S HA 0.549 5.018 4.470 -0.001 0.000 0.301 1042 S C -0.945 173.353 174.600 -0.505 0.000 1.096 1042 S CA -0.788 57.264 58.200 -0.247 0.000 1.063 1042 S CB 0.586 63.711 63.200 -0.124 0.000 1.042 1042 S HN 0.794 nan 8.310 nan 0.000 0.494 1043 H N 0.560 119.616 119.070 -0.023 0.000 2.679 1043 H HA 0.358 4.913 4.556 -0.001 0.000 0.360 1043 H C -0.754 174.567 175.328 -0.011 0.000 1.105 1043 H CA -0.593 55.445 56.048 -0.016 0.000 1.196 1043 H CB 1.734 31.488 29.762 -0.013 0.000 1.636 1043 H HN 0.453 nan 8.280 nan 0.000 0.531 1044 S N 2.023 117.775 115.700 0.088 0.000 2.505 1044 S HA 0.251 4.720 4.470 -0.001 0.000 0.276 1044 S C 0.594 175.234 174.600 0.066 0.000 1.274 1044 S CA -0.358 57.876 58.200 0.056 0.000 1.053 1044 S CB 0.637 63.858 63.200 0.036 0.000 0.919 1044 S HN 0.739 nan 8.310 nan 0.000 0.490 1045 S N 0.000 115.728 115.700 0.047 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.222 58.200 0.037 0.000 1.107 1045 S CB 0.000 63.220 63.200 0.034 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517