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 3d4y_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 0.000 176.007 176.000 0.012 0.000 1.003 30 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 30 Q CB 0.000 28.739 28.738 0.003 0.000 1.108 31 c N 1.426 120.029 118.600 0.005 0.000 2.657 31 c HA 0.260 4.830 4.570 -0.001 0.000 0.404 31 c C 0.254 174.356 174.090 0.020 0.000 1.291 31 c CA -0.357 55.978 56.329 0.010 0.000 2.218 31 c CB -0.151 42.351 42.510 -0.013 0.000 2.687 31 c HN 0.477 nan 8.230 nan 0.000 0.634 32 Q N 1.446 121.273 119.800 0.045 0.000 2.364 32 Q HA 0.069 4.409 4.340 -0.001 0.000 0.267 32 Q C -0.072 175.955 176.000 0.045 0.000 0.999 32 Q CA 0.293 56.138 55.803 0.068 0.000 0.886 32 Q CB 0.529 29.347 28.738 0.133 0.000 1.243 32 Q HN 0.629 nan 8.270 nan 0.000 0.415 33 D N 1.925 122.351 120.400 0.045 0.000 2.339 33 D HA 0.036 4.676 4.640 -0.001 0.000 0.256 33 D C 0.544 176.885 176.300 0.069 0.000 1.214 33 D CA -0.126 53.883 54.000 0.015 0.000 0.877 33 D CB 1.235 42.045 40.800 0.018 0.000 1.111 33 D HN 0.395 nan 8.370 nan 0.000 0.478 34 V N 2.246 122.157 119.914 -0.005 0.000 3.649 34 V HA 0.072 4.191 4.120 -0.001 0.000 0.275 34 V C 1.152 177.298 176.094 0.088 0.000 1.281 34 V CA 0.126 62.486 62.300 0.100 0.000 1.143 34 V CB 0.226 31.966 31.823 -0.138 0.000 0.892 34 V HN 0.386 nan 8.190 nan 0.000 0.441 35 V N 0.030 119.904 119.914 -0.065 0.000 2.806 35 V HA 0.100 4.219 4.120 -0.001 0.000 0.239 35 V C 2.290 178.350 176.094 -0.057 0.000 1.113 35 V CA 1.294 63.507 62.300 -0.146 0.000 1.137 35 V CB 0.017 31.707 31.823 -0.221 0.000 0.865 35 V HN 0.489 nan 8.190 nan 0.000 0.482 36 Q N -0.394 119.428 119.800 0.036 0.000 2.319 36 Q HA 0.138 4.478 4.340 -0.001 0.000 0.209 36 Q C -0.503 175.579 176.000 0.136 0.000 0.884 36 Q CA 0.200 56.045 55.803 0.070 0.000 0.938 36 Q CB 0.675 29.429 28.738 0.027 0.000 1.098 36 Q HN 0.512 nan 8.270 nan 0.000 0.517 37 D N 1.106 121.620 120.400 0.190 0.000 2.381 37 D HA 0.185 4.825 4.640 -0.001 0.000 0.235 37 D C -0.674 175.750 176.300 0.207 0.000 1.068 37 D CA -0.287 53.811 54.000 0.164 0.000 0.832 37 D CB 2.397 43.270 40.800 0.122 0.000 1.101 37 D HN -0.178 nan 8.370 nan 0.000 0.515 38 V N 4.549 124.544 119.914 0.136 0.000 2.427 38 V HA 0.156 4.276 4.120 -0.001 0.000 0.268 38 V C -1.861 174.219 176.094 -0.023 0.000 1.046 38 V CA -1.241 61.067 62.300 0.013 0.000 0.970 38 V CB 0.535 32.365 31.823 0.013 0.000 1.001 38 V HN 0.333 nan 8.190 nan 0.000 0.476 39 P HA 0.074 nan 4.420 nan 0.000 0.266 39 P C -0.454 176.819 177.300 -0.044 0.000 1.195 39 P CA -0.096 62.978 63.100 -0.045 0.000 0.768 39 P CB 0.350 32.007 31.700 -0.072 0.000 0.838 40 N N 2.155 120.843 118.700 -0.019 0.000 2.462 40 N HA 0.355 5.095 4.740 -0.001 0.000 0.242 40 N C -1.049 174.452 175.510 -0.014 0.000 1.010 40 N CA -0.459 52.582 53.050 -0.015 0.000 0.939 40 N CB 0.174 38.661 38.487 -0.001 0.000 1.127 40 N HN 0.126 nan 8.380 nan 0.000 0.509 41 V N 0.424 120.322 119.914 -0.027 0.000 2.960 41 V HA 0.534 4.653 4.120 -0.001 0.000 0.315 41 V C 0.612 176.691 176.094 -0.025 0.000 1.087 41 V CA -0.739 61.547 62.300 -0.023 0.000 0.982 41 V CB 2.042 33.839 31.823 -0.044 0.000 1.039 41 V HN 0.392 nan 8.190 nan 0.000 0.437 42 D N 1.026 121.418 120.400 -0.013 0.000 2.117 42 D HA -0.004 4.635 4.640 -0.001 0.000 0.198 42 D C 0.538 176.807 176.300 -0.051 0.000 0.982 42 D CA 1.676 55.666 54.000 -0.017 0.000 0.828 42 D CB 0.353 41.160 40.800 0.011 0.000 0.967 42 D HN 0.426 nan 8.370 nan 0.000 0.464 43 V N 1.336 121.196 119.914 -0.090 0.000 2.483 43 V HA 0.228 4.348 4.120 -0.001 0.000 0.297 43 V C -0.333 175.664 176.094 -0.162 0.000 1.027 43 V CA -0.740 61.479 62.300 -0.135 0.000 0.855 43 V CB 2.415 34.116 31.823 -0.204 0.000 0.995 43 V HN -0.062 nan 8.190 nan 0.000 0.424 44 Q N 4.531 124.248 119.800 -0.139 0.000 2.327 44 Q HA 0.427 4.767 4.340 -0.001 0.000 0.270 44 Q C 0.382 176.284 176.000 -0.163 0.000 1.022 44 Q CA -0.676 55.036 55.803 -0.151 0.000 0.773 44 Q CB 1.896 30.566 28.738 -0.113 0.000 1.251 44 Q HN 0.684 nan 8.270 nan 0.000 0.457 45 M N 2.994 122.449 119.600 -0.240 0.000 2.213 45 M HA -0.165 4.315 4.480 -0.001 0.000 0.263 45 M C 1.612 177.806 176.300 -0.175 0.000 1.062 45 M CA 0.992 56.137 55.300 -0.258 0.000 1.105 45 M CB -0.780 31.534 32.600 -0.476 0.000 1.385 45 M HN 0.570 nan 8.290 nan 0.000 0.417 46 L N 0.687 121.797 121.223 -0.189 0.000 2.017 46 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 46 L C 2.478 179.332 176.870 -0.025 0.000 1.073 46 L CA 1.866 56.622 54.840 -0.140 0.000 0.745 46 L CB -0.693 41.264 42.059 -0.171 0.000 0.894 46 L HN 0.254 nan 8.230 nan 0.000 0.432 47 E N -0.464 119.709 120.200 -0.044 0.000 2.106 47 E HA -0.223 4.127 4.350 -0.001 0.000 0.192 47 E C 2.184 178.796 176.600 0.019 0.000 0.984 47 E CA 1.361 57.752 56.400 -0.015 0.000 0.806 47 E CB -0.226 29.452 29.700 -0.037 0.000 0.750 47 E HN 0.450 nan 8.360 nan 0.000 0.458 48 L N 0.177 121.414 121.223 0.023 0.000 2.056 48 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 48 L C 2.166 179.111 176.870 0.124 0.000 1.078 48 L CA 1.527 56.389 54.840 0.037 0.000 0.749 48 L CB -0.811 41.257 42.059 0.015 0.000 0.901 48 L HN 0.073 nan 8.230 nan 0.000 0.433 49 Y N 0.024 120.327 120.300 0.005 0.000 2.274 49 Y HA -0.244 4.306 4.550 -0.001 0.000 0.290 49 Y C 2.476 178.463 175.900 0.145 0.000 1.145 49 Y CA 1.748 59.933 58.100 0.142 0.000 1.203 49 Y CB -0.577 37.963 38.460 0.134 0.000 0.984 49 Y HN 0.379 nan 8.280 nan 0.000 0.533 50 D N -0.664 119.849 120.400 0.188 0.000 2.178 50 D HA -0.107 4.533 4.640 -0.001 0.000 0.202 50 D C 1.931 178.272 176.300 0.068 0.000 0.974 50 D CA 1.215 55.278 54.000 0.105 0.000 0.841 50 D CB 0.114 40.948 40.800 0.058 0.000 0.953 50 D HN 0.232 nan 8.370 nan 0.000 0.478 51 R N -1.144 119.379 120.500 0.038 0.000 2.189 51 R HA 0.254 4.593 4.340 -0.001 0.000 0.203 51 R C 0.839 177.115 176.300 -0.040 0.000 1.012 51 R CA -0.102 55.995 56.100 -0.004 0.000 1.015 51 R CB 0.137 30.422 30.300 -0.025 0.000 0.938 51 R HN 0.189 nan 8.270 nan 0.000 0.472 52 M N 0.371 119.917 119.600 -0.091 0.000 2.245 52 M HA -0.062 4.417 4.480 -0.001 0.000 0.330 52 M C 1.587 177.767 176.300 -0.201 0.000 1.098 52 M CA 0.360 55.505 55.300 -0.258 0.000 1.172 52 M CB 1.292 33.543 32.600 -0.582 0.000 1.467 52 M HN 0.053 nan 8.290 nan 0.000 0.454 53 S N 1.964 117.519 115.700 -0.241 0.000 2.388 53 S HA -0.042 4.428 4.470 -0.001 0.000 0.223 53 S C 0.822 175.468 174.600 0.076 0.000 1.034 53 S CA 0.931 59.087 58.200 -0.073 0.000 0.963 53 S CB -0.146 63.010 63.200 -0.073 0.000 0.827 53 S HN 0.755 nan 8.310 nan 0.000 0.481 54 F N -0.135 119.740 119.950 -0.124 0.000 2.871 54 F HA -0.147 4.379 4.527 -0.001 0.000 0.326 54 F C 0.255 176.066 175.800 0.019 0.000 0.675 54 F CA 0.631 58.568 58.000 -0.105 0.000 1.188 54 F CB -1.714 37.204 39.000 -0.137 0.000 1.567 54 F HN 0.120 nan 8.300 nan 0.000 0.325 55 K N 1.556 122.033 120.400 0.129 0.000 2.412 55 K HA 0.122 4.442 4.320 -0.001 0.000 0.281 55 K C 0.133 176.838 176.600 0.176 0.000 1.027 55 K CA 0.052 56.419 56.287 0.134 0.000 0.989 55 K CB 0.409 32.951 32.500 0.070 0.000 0.935 55 K HN 0.058 nan 8.250 nan 0.000 0.475 56 D N 3.507 124.029 120.400 0.203 0.000 2.494 56 D HA 0.221 4.861 4.640 -0.001 0.000 0.217 56 D C -0.651 175.701 176.300 0.086 0.000 1.153 56 D CA -0.339 53.788 54.000 0.211 0.000 0.954 56 D CB -0.370 40.557 40.800 0.212 0.000 1.034 56 D HN 0.297 nan 8.370 nan 0.000 0.518 57 I N 1.849 122.456 120.570 0.061 0.000 2.412 57 I HA 0.154 4.323 4.170 -0.001 0.000 0.296 57 I C 0.457 176.568 176.117 -0.009 0.000 0.987 57 I CA -0.904 60.409 61.300 0.021 0.000 1.180 57 I CB 1.575 39.585 38.000 0.017 0.000 1.340 57 I HN 0.155 nan 8.210 nan 0.000 0.455 58 D N 4.902 125.294 120.400 -0.013 0.000 2.363 58 D HA 0.049 4.688 4.640 -0.001 0.000 0.263 58 D C 0.975 177.263 176.300 -0.019 0.000 1.258 58 D CA 0.257 54.243 54.000 -0.023 0.000 0.907 58 D CB 1.422 42.215 40.800 -0.012 0.000 1.107 58 D HN 0.771 nan 8.370 nan 0.000 0.495 59 G N 2.452 111.223 108.800 -0.048 0.000 2.985 59 G HA2 0.388 4.347 3.960 -0.001 0.000 0.209 59 G HA3 0.388 4.347 3.960 -0.001 0.000 0.209 59 G C 0.902 175.807 174.900 0.008 0.000 1.165 59 G CA 0.452 45.528 45.100 -0.041 0.000 0.776 59 G HN 0.887 nan 8.290 nan 0.000 0.541 60 G N -0.565 108.244 108.800 0.015 0.000 2.464 60 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.216 60 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.216 60 G C 1.213 176.139 174.900 0.044 0.000 1.186 60 G CA 0.774 45.896 45.100 0.036 0.000 1.010 60 G HN 1.096 nan 8.290 nan 0.000 0.585 61 V N -3.594 116.346 119.914 0.045 0.000 2.407 61 V HA 0.087 4.207 4.120 -0.001 0.000 0.248 61 V C 1.492 177.628 176.094 0.069 0.000 1.055 61 V CA 2.428 64.739 62.300 0.019 0.000 1.049 61 V CB -0.580 31.220 31.823 -0.039 0.000 0.662 61 V HN 1.417 nan 8.190 nan 0.000 0.455 62 W N 2.681 123.898 121.300 -0.138 0.000 2.365 62 W HA 0.436 5.096 4.660 -0.001 0.000 0.371 62 W C 1.173 177.663 176.519 -0.048 0.000 1.006 62 W CA -1.813 55.445 57.345 -0.144 0.000 1.528 62 W CB 0.132 29.469 29.460 -0.204 0.000 1.497 62 W HN 0.028 nan 8.180 nan 0.000 0.367 63 K N 2.564 123.058 120.400 0.157 0.000 2.074 63 K HA -0.217 4.102 4.320 -0.001 0.000 0.209 63 K C 0.969 177.485 176.600 -0.140 0.000 1.048 63 K CA 1.691 57.976 56.287 -0.005 0.000 0.926 63 K CB -0.005 32.492 32.500 -0.006 0.000 0.713 63 K HN 0.573 nan 8.250 nan 0.000 0.444 64 Q N -0.758 118.913 119.800 -0.215 0.000 2.204 64 Q HA 0.168 4.507 4.340 -0.001 0.000 0.209 64 Q C 0.840 176.471 176.000 -0.616 0.000 0.861 64 Q CA -0.232 55.423 55.803 -0.246 0.000 0.971 64 Q CB 1.165 29.905 28.738 0.003 0.000 1.095 64 Q HN 0.257 nan 8.270 nan 0.000 0.486 65 G N 0.511 108.519 108.800 -1.320 0.000 3.377 65 G HA2 0.507 4.467 3.960 -0.001 0.000 0.182 65 G HA3 0.507 4.467 3.960 -0.001 0.000 0.182 65 G C -1.476 173.103 174.900 -0.534 0.000 1.166 65 G CA -0.334 43.754 45.100 -1.687 0.000 0.771 65 G HN 0.358 nan 8.290 nan 0.000 0.701 66 W N -1.276 119.718 121.300 -0.509 0.000 2.961 66 W HA 0.657 5.317 4.660 -0.000 0.000 0.368 66 W C -1.378 175.232 176.519 0.153 0.000 1.213 66 W CA -1.157 56.133 57.345 -0.092 0.000 1.173 66 W CB 0.670 30.093 29.460 -0.062 0.000 1.487 66 W HN 0.178 nan 8.180 nan 0.000 0.585 67 N N 2.050 120.911 118.700 0.267 0.000 2.402 67 N HA 0.221 4.960 4.740 -0.001 0.000 0.259 67 N C -0.380 175.274 175.510 0.239 0.000 1.167 67 N CA 0.039 53.199 53.050 0.182 0.000 0.949 67 N CB 0.296 38.888 38.487 0.175 0.000 1.212 67 N HN 0.390 nan 8.380 nan 0.000 0.493 68 I N 2.175 122.787 120.570 0.070 0.000 2.529 68 I HA 0.043 4.213 4.170 -0.001 0.000 0.284 68 I C 0.733 177.000 176.117 0.250 0.000 1.082 68 I CA 0.138 61.542 61.300 0.173 0.000 1.406 68 I CB 0.577 38.626 38.000 0.082 0.000 1.405 68 I HN 0.116 nan 8.210 nan 0.000 0.548 69 K N 6.261 126.841 120.400 0.301 0.000 2.259 69 K HA 0.561 4.881 4.320 -0.001 0.000 0.249 69 K C -1.316 175.436 176.600 0.253 0.000 0.942 69 K CA -0.687 55.709 56.287 0.183 0.000 0.816 69 K CB 2.172 34.748 32.500 0.127 0.000 1.155 69 K HN 0.465 nan 8.250 nan 0.000 0.428 70 Y N -1.921 118.461 120.300 0.136 0.000 2.576 70 Y HA 0.441 4.991 4.550 -0.001 0.000 0.346 70 Y C -0.911 175.051 175.900 0.103 0.000 1.018 70 Y CA -1.546 56.633 58.100 0.131 0.000 1.050 70 Y CB 1.172 39.727 38.460 0.159 0.000 1.280 70 Y HN 0.393 nan 8.280 nan 0.000 0.474 71 D N 3.818 124.363 120.400 0.241 0.000 2.339 71 D HA 0.265 4.904 4.640 -0.001 0.000 0.241 71 D C -1.612 174.841 176.300 0.255 0.000 1.183 71 D CA -2.683 51.401 54.000 0.141 0.000 0.859 71 D CB 1.437 42.289 40.800 0.086 0.000 1.067 71 D HN 0.434 nan 8.370 nan 0.000 0.484 72 P HA -0.138 nan 4.420 nan 0.000 0.218 72 P C 1.240 178.671 177.300 0.219 0.000 1.146 72 P CA 0.847 64.130 63.100 0.305 0.000 0.813 72 P CB 0.301 32.121 31.700 0.200 0.000 0.778 73 L N -0.924 120.378 121.223 0.131 0.000 2.591 73 L HA 0.140 4.480 4.340 -0.001 0.000 0.228 73 L C 2.606 179.504 176.870 0.048 0.000 1.133 73 L CA 0.227 55.122 54.840 0.091 0.000 0.880 73 L CB -0.685 41.409 42.059 0.057 0.000 1.033 73 L HN -0.074 nan 8.230 nan 0.000 0.450 74 K N 0.588 120.987 120.400 -0.000 0.000 2.103 74 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 74 K C -0.131 176.324 176.600 -0.241 0.000 1.048 74 K CA 1.274 57.446 56.287 -0.191 0.000 0.930 74 K CB 0.085 32.364 32.500 -0.368 0.000 0.716 74 K HN 0.090 nan 8.250 nan 0.000 0.444 75 Y N 0.666 121.079 120.300 0.188 0.000 2.361 75 Y HA 0.254 4.804 4.550 -0.000 0.000 0.332 75 Y C 0.055 176.029 175.900 0.123 0.000 1.101 75 Y CA -1.102 57.102 58.100 0.173 0.000 1.137 75 Y CB 1.428 39.947 38.460 0.098 0.000 1.207 75 Y HN 0.274 nan 8.280 nan 0.000 0.463 76 N N -0.573 118.285 118.700 0.262 0.000 3.364 76 N HA 0.535 5.274 4.740 -0.001 0.000 0.294 76 N C 0.160 175.701 175.510 0.053 0.000 1.562 76 N CA -0.395 52.729 53.050 0.123 0.000 0.862 76 N CB 0.284 38.819 38.487 0.081 0.000 1.691 76 N HN 0.449 nan 8.380 nan 0.000 0.572 77 A N -1.150 121.616 122.820 -0.090 0.000 1.940 77 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 77 A C 1.115 178.606 177.584 -0.155 0.000 1.176 77 A CA 1.542 53.462 52.037 -0.194 0.000 0.631 77 A CB -1.106 17.672 19.000 -0.369 0.000 0.814 77 A HN 0.701 nan 8.150 nan 0.000 0.446 78 H N -2.911 116.216 119.070 0.095 0.000 2.592 78 H HA 0.140 4.695 4.556 -0.001 0.000 0.265 78 H C -0.218 175.210 175.328 0.166 0.000 0.955 78 H CA 0.805 56.913 56.048 0.100 0.000 1.175 78 H CB 0.049 29.861 29.762 0.082 0.000 1.433 78 H HN 0.719 nan 8.280 nan 0.000 0.537 79 H N 0.684 119.849 119.070 0.157 0.000 2.761 79 H HA 0.332 4.888 4.556 -0.000 0.000 0.263 79 H C -0.691 174.785 175.328 0.247 0.000 1.292 79 H CA -0.449 55.706 56.048 0.179 0.000 1.540 79 H CB 0.283 30.143 29.762 0.163 0.000 1.569 79 H HN -0.068 nan 8.280 nan 0.000 0.510 80 K N 2.538 122.897 120.400 -0.069 0.000 2.098 80 K HA 0.305 4.625 4.320 -0.001 0.000 0.258 80 K C -0.837 175.535 176.600 -0.380 0.000 0.973 80 K CA -1.294 54.914 56.287 -0.133 0.000 0.898 80 K CB 1.873 34.295 32.500 -0.129 0.000 1.057 80 K HN 0.261 nan 8.250 nan 0.000 0.447 81 L N 2.875 123.718 121.223 -0.633 0.000 2.278 81 L HA 0.163 4.503 4.340 -0.001 0.000 0.287 81 L C -0.810 175.761 176.870 -0.498 0.000 1.072 81 L CA 0.175 54.533 54.840 -0.804 0.000 0.819 81 L CB 0.271 41.675 42.059 -1.091 0.000 1.176 81 L HN 0.295 nan 8.230 nan 0.000 0.435 82 K N 5.145 125.286 120.400 -0.432 0.000 2.253 82 K HA 0.438 4.757 4.320 -0.001 0.000 0.277 82 K C -1.157 175.086 176.600 -0.595 0.000 1.053 82 K CA -0.409 55.585 56.287 -0.488 0.000 0.892 82 K CB 1.619 33.886 32.500 -0.389 0.000 1.102 82 K HN 0.416 nan 8.250 nan 0.000 0.469 83 V N 4.824 124.274 119.914 -0.773 0.000 2.448 83 V HA 0.415 4.534 4.120 -0.001 0.000 0.295 83 V C -0.669 174.881 176.094 -0.906 0.000 1.025 83 V CA -0.833 60.973 62.300 -0.823 0.000 0.859 83 V CB 0.829 31.987 31.823 -1.108 0.000 0.988 83 V HN 0.466 nan 8.190 nan 0.000 0.431 84 F N 3.625 123.311 119.950 -0.440 0.000 2.402 84 F HA 0.529 5.055 4.527 -0.001 0.000 0.355 84 F C 0.139 175.745 175.800 -0.324 0.000 1.123 84 F CA -0.719 57.079 58.000 -0.336 0.000 1.021 84 F CB 1.816 40.688 39.000 -0.212 0.000 1.160 84 F HN 0.179 nan 8.300 nan 0.000 0.451 85 V N 4.983 124.859 119.914 -0.064 0.000 2.383 85 V HA 0.343 4.463 4.120 -0.001 0.000 0.275 85 V C -0.264 175.936 176.094 0.177 0.000 1.036 85 V CA -0.645 61.681 62.300 0.044 0.000 0.889 85 V CB 1.402 33.330 31.823 0.175 0.000 0.985 85 V HN 0.446 nan 8.190 nan 0.000 0.459 86 V N 8.239 128.200 119.914 0.079 0.000 2.284 86 V HA 0.317 4.437 4.120 -0.001 0.000 0.274 86 V C -2.401 173.713 176.094 0.033 0.000 1.023 86 V CA -1.867 60.435 62.300 0.004 0.000 0.808 86 V CB 1.457 33.186 31.823 -0.158 0.000 1.035 86 V HN 0.722 nan 8.190 nan 0.000 0.445 87 P HA 0.337 nan 4.420 nan 0.000 0.271 87 P C -0.820 176.424 177.300 -0.095 0.000 1.216 87 P CA 0.270 63.327 63.100 -0.071 0.000 0.776 87 P CB 0.402 31.872 31.700 -0.383 0.000 0.881 88 H N -1.112 117.898 119.070 -0.100 0.000 2.960 88 H HA 0.808 5.364 4.556 -0.001 0.000 0.323 88 H C -1.470 173.925 175.328 0.112 0.000 1.326 88 H CA -1.134 54.751 56.048 -0.271 0.000 1.124 88 H CB 0.997 30.570 29.762 -0.315 0.000 1.853 88 H HN 0.205 nan 8.280 nan 0.000 0.536 89 S N 0.473 116.170 115.700 -0.004 0.000 2.750 89 S HA 0.198 4.668 4.470 -0.001 0.000 0.276 89 S C -1.903 172.633 174.600 -0.108 0.000 1.165 89 S CA -0.662 57.588 58.200 0.083 0.000 1.047 89 S CB 0.156 63.587 63.200 0.385 0.000 1.056 89 S HN 0.843 nan 8.310 nan 0.000 0.481 90 H N 4.402 123.370 119.070 -0.170 0.000 2.864 90 H HA 0.422 4.978 4.556 -0.001 0.000 0.281 90 H C -0.099 174.828 175.328 -0.669 0.000 1.093 90 H CA 0.312 56.167 56.048 -0.321 0.000 1.453 90 H CB 0.231 29.836 29.762 -0.261 0.000 1.462 90 H HN 0.555 nan 8.280 nan 0.000 0.480 91 N N 5.543 123.602 118.700 -1.069 0.000 2.564 91 N HA 0.057 4.797 4.740 -0.001 0.000 0.248 91 N C -1.151 173.890 175.510 -0.781 0.000 0.986 91 N CA -0.616 51.632 53.050 -1.337 0.000 0.921 91 N CB 1.043 39.019 38.487 -0.852 0.000 1.136 91 N HN 0.651 nan 8.380 nan 0.000 0.509 92 D N 2.674 122.657 120.400 -0.695 0.000 2.348 92 D HA 0.107 4.747 4.640 -0.001 0.000 0.253 92 D C -2.078 174.293 176.300 0.118 0.000 1.161 92 D CA -0.918 52.950 54.000 -0.220 0.000 0.876 92 D CB 1.443 42.364 40.800 0.202 0.000 1.160 92 D HN 0.207 nan 8.370 nan 0.000 0.459 93 P HA 0.211 nan 4.420 nan 0.000 0.230 93 P C -0.072 177.446 177.300 0.363 0.000 1.791 93 P CA -0.107 63.054 63.100 0.101 0.000 1.020 93 P CB 0.224 31.838 31.700 -0.143 0.000 1.977 94 G N 0.614 109.806 108.800 0.653 0.000 3.225 94 G HA2 0.012 3.971 3.960 -0.001 0.000 0.686 94 G HA3 0.012 3.971 3.960 -0.001 0.000 0.686 94 G C -1.063 174.355 174.900 0.864 0.000 1.105 94 G CA -0.647 44.837 45.100 0.639 0.000 0.831 94 G HN 0.371 nan 8.290 nan 0.000 0.578 95 W N 2.841 124.466 121.300 0.542 0.000 4.518 95 W HA 0.308 4.968 4.660 -0.001 0.000 0.160 95 W C 0.887 177.580 176.519 0.290 0.000 3.470 95 W CA 0.910 58.546 57.345 0.486 0.000 1.183 95 W CB -0.744 29.090 29.460 0.622 0.000 2.083 95 W HN 0.477 nan 8.180 nan 0.000 0.403 96 I N 1.937 122.526 120.570 0.032 0.000 2.852 96 I HA 0.126 4.296 4.170 -0.001 0.000 0.264 96 I C 0.531 176.537 176.117 -0.184 0.000 1.179 96 I CA 1.135 62.280 61.300 -0.259 0.000 1.480 96 I CB -1.168 36.650 38.000 -0.303 0.000 1.111 96 I HN 0.105 nan 8.210 nan 0.000 0.441 97 Q N -0.119 119.424 119.800 -0.428 0.000 2.445 97 Q HA 0.382 4.721 4.340 -0.001 0.000 0.281 97 Q C 0.106 175.883 176.000 -0.371 0.000 1.101 97 Q CA -0.648 54.860 55.803 -0.492 0.000 0.833 97 Q CB 1.969 30.145 28.738 -0.937 0.000 1.416 97 Q HN 0.230 nan 8.270 nan 0.000 0.451 98 T N -2.198 112.258 114.554 -0.164 0.000 2.788 98 T HA 0.128 4.478 4.350 -0.001 0.000 0.287 98 T C 0.783 175.574 174.700 0.152 0.000 1.007 98 T CA -0.491 61.583 62.100 -0.045 0.000 1.005 98 T CB 0.311 69.185 68.868 0.010 0.000 1.012 98 T HN 0.563 nan 8.240 nan 0.000 0.530 99 F N 1.143 121.171 119.950 0.130 0.000 2.087 99 F HA -0.152 4.374 4.527 -0.001 0.000 0.299 99 F C 2.416 178.403 175.800 0.312 0.000 1.100 99 F CA 2.364 60.515 58.000 0.251 0.000 1.226 99 F CB -0.288 38.755 39.000 0.071 0.000 0.983 99 F HN 0.784 nan 8.300 nan 0.000 0.479 100 E N 0.276 120.677 120.200 0.335 0.000 2.107 100 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 100 E C 2.003 178.654 176.600 0.085 0.000 0.982 100 E CA 1.544 58.092 56.400 0.248 0.000 0.809 100 E CB -0.257 29.587 29.700 0.240 0.000 0.756 100 E HN 0.591 nan 8.360 nan 0.000 0.459 101 E N -0.880 119.308 120.200 -0.020 0.000 2.031 101 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 101 E C 1.818 178.228 176.600 -0.317 0.000 0.994 101 E CA 1.260 57.490 56.400 -0.283 0.000 0.800 101 E CB -0.268 29.330 29.700 -0.170 0.000 0.752 101 E HN 0.327 nan 8.360 nan 0.000 0.447 102 Y N -0.507 119.753 120.300 -0.066 0.000 2.181 102 Y HA -0.258 4.291 4.550 -0.001 0.000 0.288 102 Y C 2.208 178.053 175.900 -0.091 0.000 1.146 102 Y CA 1.232 59.283 58.100 -0.081 0.000 1.164 102 Y CB -0.765 37.746 38.460 0.086 0.000 0.982 102 Y HN 0.203 nan 8.280 nan 0.000 0.515 103 Y N 0.788 121.107 120.300 0.032 0.000 2.145 103 Y HA -0.273 4.277 4.550 -0.001 0.000 0.286 103 Y C 2.308 178.176 175.900 -0.053 0.000 1.145 103 Y CA 1.876 59.954 58.100 -0.037 0.000 1.148 103 Y CB -0.369 38.066 38.460 -0.041 0.000 0.981 103 Y HN 0.036 nan 8.280 nan 0.000 0.507 104 Q N -0.547 119.148 119.800 -0.176 0.000 2.119 104 Q HA -0.168 4.171 4.340 -0.001 0.000 0.201 104 Q C 2.108 178.063 176.000 -0.074 0.000 0.972 104 Q CA 2.179 57.853 55.803 -0.215 0.000 0.847 104 Q CB -0.562 28.089 28.738 -0.145 0.000 0.903 104 Q HN 0.776 nan 8.270 nan 0.000 0.433 105 H N -0.830 118.250 119.070 0.016 0.000 2.465 105 H HA 0.056 4.611 4.556 -0.001 0.000 0.289 105 H C 0.914 176.327 175.328 0.141 0.000 1.022 105 H CA 0.648 56.741 56.048 0.075 0.000 1.340 105 H CB 0.682 30.454 29.762 0.018 0.000 1.437 105 H HN 0.202 nan 8.280 nan 0.000 0.539 106 D N -1.057 119.444 120.400 0.170 0.000 3.118 106 D HA 0.012 4.651 4.640 -0.001 0.000 0.222 106 D C 1.690 178.048 176.300 0.096 0.000 1.470 106 D CA 0.510 54.597 54.000 0.144 0.000 1.347 106 D CB -0.036 40.735 40.800 -0.049 0.000 1.221 106 D HN 0.050 nan 8.370 nan 0.000 0.326 107 T N 2.495 117.029 114.554 -0.033 0.000 2.867 107 T HA -0.128 4.221 4.350 -0.001 0.000 0.268 107 T C 1.931 176.476 174.700 -0.259 0.000 1.057 107 T CA 1.317 63.361 62.100 -0.093 0.000 1.136 107 T CB -0.052 68.605 68.868 -0.352 0.000 0.874 107 T HN 0.245 nan 8.240 nan 0.000 0.466 108 K N 0.883 120.937 120.400 -0.577 0.000 2.147 108 K HA -0.158 4.162 4.320 -0.001 0.000 0.205 108 K C 1.909 178.257 176.600 -0.420 0.000 1.049 108 K CA 1.400 57.316 56.287 -0.618 0.000 0.936 108 K CB -0.407 31.505 32.500 -0.980 0.000 0.722 108 K HN 0.395 nan 8.250 nan 0.000 0.446 109 H N 1.185 120.189 119.070 -0.111 0.000 2.363 109 H HA 0.018 4.574 4.556 -0.001 0.000 0.301 109 H C 2.348 177.685 175.328 0.015 0.000 1.074 109 H CA 1.523 57.562 56.048 -0.014 0.000 1.354 109 H CB -0.262 29.517 29.762 0.028 0.000 1.397 109 H HN 0.191 nan 8.280 nan 0.000 0.516 110 I N 0.834 121.490 120.570 0.144 0.000 2.127 110 I HA -0.287 3.883 4.170 -0.001 0.000 0.241 110 I C 2.539 178.661 176.117 0.008 0.000 1.075 110 I CA 1.192 62.614 61.300 0.203 0.000 1.334 110 I CB -0.367 37.817 38.000 0.306 0.000 1.040 110 I HN 0.085 nan 8.210 nan 0.000 0.405 111 L N -0.227 120.788 121.223 -0.346 0.000 2.083 111 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 111 L C 2.664 179.173 176.870 -0.602 0.000 1.083 111 L CA 1.085 55.469 54.840 -0.761 0.000 0.752 111 L CB -0.485 40.539 42.059 -1.724 0.000 0.899 111 L HN 0.199 nan 8.230 nan 0.000 0.433 112 S N -0.061 115.441 115.700 -0.331 0.000 2.368 112 S HA -0.119 4.351 4.470 -0.001 0.000 0.224 112 S C 1.706 176.273 174.600 -0.055 0.000 1.029 112 S CA 1.189 59.402 58.200 0.022 0.000 0.988 112 S CB -0.265 63.013 63.200 0.130 0.000 0.838 112 S HN 0.465 nan 8.310 nan 0.000 0.462 113 N N 1.934 120.598 118.700 -0.059 0.000 2.270 113 N HA 0.065 4.805 4.740 -0.001 0.000 0.181 113 N C 1.796 176.970 175.510 -0.560 0.000 1.016 113 N CA 1.092 54.054 53.050 -0.147 0.000 0.870 113 N CB -0.597 37.917 38.487 0.044 0.000 0.979 113 N HN 0.399 nan 8.380 nan 0.000 0.431 114 A N 1.413 123.933 122.820 -0.500 0.000 1.877 114 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 114 A C 2.211 179.498 177.584 -0.495 0.000 1.186 114 A CA 1.019 52.606 52.037 -0.749 0.000 0.620 114 A CB -0.810 17.998 19.000 -0.320 0.000 0.822 114 A HN 0.217 nan 8.150 nan 0.000 0.443 115 L N 0.215 121.290 121.223 -0.245 0.000 1.990 115 L HA -0.198 4.141 4.340 -0.001 0.000 0.213 115 L C 2.510 179.288 176.870 -0.152 0.000 1.072 115 L CA 2.699 57.475 54.840 -0.106 0.000 0.755 115 L CB -0.734 41.332 42.059 0.012 0.000 0.889 115 L HN 0.533 nan 8.230 nan 0.000 0.432 116 R N -1.780 118.587 120.500 -0.221 0.000 2.062 116 R HA -0.175 4.165 4.340 -0.001 0.000 0.231 116 R C 2.370 178.470 176.300 -0.333 0.000 1.136 116 R CA 1.664 57.613 56.100 -0.252 0.000 0.948 116 R CB -0.546 29.591 30.300 -0.273 0.000 0.845 116 R HN 0.567 nan 8.270 nan 0.000 0.430 117 H N 0.458 119.224 119.070 -0.506 0.000 2.389 117 H HA -0.052 4.504 4.556 -0.001 0.000 0.299 117 H C 2.255 177.369 175.328 -0.358 0.000 1.081 117 H CA 1.575 57.316 56.048 -0.512 0.000 1.345 117 H CB 0.087 29.277 29.762 -0.954 0.000 1.393 117 H HN 0.244 nan 8.280 nan 0.000 0.520 118 L N -0.076 120.974 121.223 -0.287 0.000 2.056 118 L HA -0.179 4.160 4.340 -0.001 0.000 0.207 118 L C 2.764 179.606 176.870 -0.047 0.000 1.078 118 L CA 1.088 55.848 54.840 -0.134 0.000 0.749 118 L CB -0.629 41.366 42.059 -0.107 0.000 0.901 118 L HN 0.387 nan 8.230 nan 0.000 0.433 119 H N 0.563 119.557 119.070 -0.126 0.000 2.353 119 H HA -0.189 4.366 4.556 -0.001 0.000 0.300 119 H C 1.340 176.620 175.328 -0.079 0.000 1.090 119 H CA 1.943 57.942 56.048 -0.081 0.000 1.327 119 H CB 0.196 29.909 29.762 -0.082 0.000 1.383 119 H HN 0.322 nan 8.280 nan 0.000 0.508 120 D N 0.415 120.796 120.400 -0.030 0.000 2.317 120 D HA -0.022 4.617 4.640 -0.001 0.000 0.211 120 D C 0.007 176.263 176.300 -0.074 0.000 0.966 120 D CA 0.575 54.532 54.000 -0.072 0.000 0.876 120 D CB 0.014 40.765 40.800 -0.082 0.000 0.927 120 D HN 0.343 nan 8.370 nan 0.000 0.519 121 N N 0.516 119.183 118.700 -0.054 0.000 2.716 121 N HA 0.144 4.884 4.740 -0.001 0.000 0.253 121 N C -2.203 173.312 175.510 0.009 0.000 1.170 121 N CA -1.048 52.003 53.050 0.003 0.000 0.807 121 N CB 2.419 40.939 38.487 0.054 0.000 1.183 121 N HN -0.137 nan 8.380 nan 0.000 0.524 122 P HA -0.100 nan 4.420 nan 0.000 0.219 122 P C 0.938 178.270 177.300 0.053 0.000 1.146 122 P CA 1.238 64.340 63.100 0.004 0.000 0.808 122 P CB 0.552 32.248 31.700 -0.006 0.000 0.779 123 E N -1.773 118.489 120.200 0.104 0.000 2.442 123 E HA 0.061 4.410 4.350 -0.001 0.000 0.195 123 E C 0.818 177.562 176.600 0.240 0.000 1.030 123 E CA 0.077 56.584 56.400 0.178 0.000 0.869 123 E CB -0.452 29.385 29.700 0.228 0.000 0.857 123 E HN 0.239 nan 8.360 nan 0.000 0.505 124 M N 1.549 121.229 119.600 0.133 0.000 2.243 124 M HA 0.099 4.579 4.480 -0.001 0.000 0.341 124 M C -0.324 175.972 176.300 -0.008 0.000 1.130 124 M CA 0.187 55.467 55.300 -0.033 0.000 1.162 124 M CB 0.413 32.979 32.600 -0.057 0.000 1.497 124 M HN -0.362 nan 8.290 nan 0.000 0.456 125 K N 3.341 123.697 120.400 -0.073 0.000 2.444 125 K HA 0.659 4.978 4.320 -0.001 0.000 0.252 125 K C -1.744 174.890 176.600 0.057 0.000 0.993 125 K CA -0.454 55.844 56.287 0.019 0.000 0.847 125 K CB 2.178 34.714 32.500 0.060 0.000 1.340 125 K HN 0.677 nan 8.250 nan 0.000 0.446 126 F N 1.482 121.340 119.950 -0.154 0.000 2.654 126 F HA 0.430 4.957 4.527 -0.001 0.000 0.314 126 F C -1.453 174.231 175.800 -0.193 0.000 1.116 126 F CA -1.127 56.760 58.000 -0.189 0.000 1.017 126 F CB 0.976 39.940 39.000 -0.060 0.000 1.285 126 F HN 0.451 nan 8.300 nan 0.000 0.448 127 I N 1.956 122.119 120.570 -0.678 0.000 2.648 127 I HA 0.604 4.774 4.170 -0.001 0.000 0.304 127 I C -1.703 173.962 176.117 -0.754 0.000 1.009 127 I CA -0.622 60.282 61.300 -0.661 0.000 1.114 127 I CB 2.469 40.029 38.000 -0.733 0.000 1.293 127 I HN 0.716 nan 8.210 nan 0.000 0.449 128 W N 4.384 125.280 121.300 -0.674 0.000 2.957 128 W HA 0.623 5.282 4.660 -0.001 0.000 0.336 128 W C -0.689 175.733 176.519 -0.161 0.000 1.087 128 W CA -0.551 56.533 57.345 -0.434 0.000 1.235 128 W CB 2.651 31.923 29.460 -0.314 0.000 1.399 128 W HN 0.797 nan 8.180 nan 0.000 0.480 129 A N 3.512 125.945 122.820 -0.645 0.000 1.963 129 A HA 0.133 4.452 4.320 -0.001 0.000 0.207 129 A C 0.063 177.578 177.584 -0.114 0.000 1.243 129 A CA 0.578 52.467 52.037 -0.246 0.000 0.728 129 A CB -0.054 18.861 19.000 -0.142 0.000 0.895 129 A HN 0.519 nan 8.150 nan 0.000 0.467 130 E N 1.100 121.112 120.200 -0.312 0.000 2.001 130 E HA 0.289 4.639 4.350 -0.001 0.000 0.279 130 E C 0.503 177.233 176.600 0.217 0.000 1.045 130 E CA -0.269 56.121 56.400 -0.017 0.000 0.833 130 E CB 0.668 30.362 29.700 -0.011 0.000 1.077 130 E HN 0.298 nan 8.360 nan 0.000 0.397 131 I N 1.468 122.063 120.570 0.042 0.000 2.546 131 I HA -0.216 3.953 4.170 -0.001 0.000 0.255 131 I C 1.979 177.699 176.117 -0.663 0.000 1.163 131 I CA 0.950 62.184 61.300 -0.109 0.000 1.457 131 I CB -1.412 36.566 38.000 -0.038 0.000 1.092 131 I HN 0.416 nan 8.210 nan 0.000 0.434 132 S N 1.202 116.215 115.700 -1.145 0.000 2.372 132 S HA -0.275 4.194 4.470 -0.001 0.000 0.227 132 S C 2.132 176.458 174.600 -0.456 0.000 1.044 132 S CA 1.390 58.633 58.200 -1.595 0.000 1.050 132 S CB -1.050 61.294 63.200 -1.428 0.000 0.901 132 S HN 0.380 nan 8.310 nan 0.000 0.447 133 Y N 0.480 120.812 120.300 0.053 0.000 2.263 133 Y HA 0.181 4.731 4.550 -0.001 0.000 0.292 133 Y C 2.186 178.155 175.900 0.116 0.000 1.130 133 Y CA 0.275 58.499 58.100 0.207 0.000 1.179 133 Y CB -0.823 37.856 38.460 0.365 0.000 0.998 133 Y HN 0.339 nan 8.280 nan 0.000 0.532 134 F N 0.008 120.038 119.950 0.135 0.000 2.134 134 F HA -0.161 4.365 4.527 -0.001 0.000 0.299 134 F C 2.315 177.946 175.800 -0.280 0.000 1.097 134 F CA 1.263 59.220 58.000 -0.072 0.000 1.264 134 F CB -0.375 38.569 39.000 -0.093 0.000 1.001 134 F HN -0.020 nan 8.300 nan 0.000 0.479 135 A N 0.160 122.652 122.820 -0.546 0.000 1.898 135 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 135 A C 2.130 179.606 177.584 -0.181 0.000 1.181 135 A CA 1.612 53.172 52.037 -0.797 0.000 0.620 135 A CB -0.719 17.668 19.000 -1.022 0.000 0.819 135 A HN 0.377 nan 8.150 nan 0.000 0.442 136 R N -0.936 119.503 120.500 -0.102 0.000 2.105 136 R HA -0.151 4.188 4.340 -0.001 0.000 0.239 136 R C 1.703 177.939 176.300 -0.107 0.000 1.135 136 R CA 2.058 58.102 56.100 -0.094 0.000 0.967 136 R CB -0.851 29.338 30.300 -0.184 0.000 0.861 136 R HN 0.497 nan 8.270 nan 0.000 0.442 137 F N -0.527 119.332 119.950 -0.152 0.000 2.128 137 F HA -0.078 4.448 4.527 -0.001 0.000 0.295 137 F C 1.888 177.609 175.800 -0.132 0.000 1.100 137 F CA 1.389 59.362 58.000 -0.044 0.000 1.260 137 F CB -0.748 38.168 39.000 -0.139 0.000 1.009 137 F HN 0.104 nan 8.300 nan 0.000 0.476 138 Y N 0.250 120.315 120.300 -0.392 0.000 2.274 138 Y HA -0.227 4.322 4.550 -0.001 0.000 0.290 138 Y C 2.500 178.177 175.900 -0.373 0.000 1.145 138 Y CA 2.100 59.936 58.100 -0.439 0.000 1.203 138 Y CB -0.652 37.686 38.460 -0.202 0.000 0.984 138 Y HN 0.138 nan 8.280 nan 0.000 0.533 139 H N -0.946 118.101 119.070 -0.037 0.000 2.555 139 H HA -0.015 4.541 4.556 -0.001 0.000 0.269 139 H C 0.799 176.032 175.328 -0.157 0.000 0.988 139 H CA 1.115 57.117 56.048 -0.077 0.000 1.178 139 H CB -0.002 29.773 29.762 0.021 0.000 1.373 139 H HN 0.441 nan 8.280 nan 0.000 0.588 140 D N 0.083 120.396 120.400 -0.145 0.000 2.339 140 D HA 0.078 4.718 4.640 -0.001 0.000 0.217 140 D C 0.557 176.682 176.300 -0.290 0.000 1.050 140 D CA 0.103 54.000 54.000 -0.171 0.000 0.856 140 D CB 0.496 41.231 40.800 -0.109 0.000 0.922 140 D HN 0.211 nan 8.370 nan 0.000 0.518 141 L N 0.633 121.592 121.223 -0.440 0.000 2.326 141 L HA 0.397 4.737 4.340 -0.001 0.000 0.278 141 L C 1.306 177.987 176.870 -0.314 0.000 1.092 141 L CA -0.709 53.853 54.840 -0.462 0.000 0.810 141 L CB 1.347 43.023 42.059 -0.638 0.000 1.153 141 L HN -0.042 nan 8.230 nan 0.000 0.439 142 G N 0.920 109.585 108.800 -0.225 0.000 2.599 142 G HA2 0.053 4.012 3.960 -0.001 0.000 0.264 142 G HA3 0.053 4.012 3.960 -0.001 0.000 0.264 142 G C 0.617 175.424 174.900 -0.156 0.000 1.200 142 G CA -0.254 44.754 45.100 -0.154 0.000 0.896 142 G HN 0.759 nan 8.290 nan 0.000 0.536 143 E N -0.218 119.922 120.200 -0.099 0.000 2.110 143 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 143 E C 2.177 178.743 176.600 -0.057 0.000 0.988 143 E CA 1.462 57.821 56.400 -0.070 0.000 0.804 143 E CB -0.139 29.543 29.700 -0.029 0.000 0.745 143 E HN 0.581 nan 8.360 nan 0.000 0.458 144 N N -0.044 118.620 118.700 -0.060 0.000 2.120 144 N HA -0.181 4.558 4.740 -0.001 0.000 0.188 144 N C 1.392 176.867 175.510 -0.058 0.000 1.024 144 N CA 1.201 54.221 53.050 -0.049 0.000 0.852 144 N CB 0.064 38.519 38.487 -0.054 0.000 1.003 144 N HN 0.007 nan 8.380 nan 0.000 0.424 145 K N 1.377 121.723 120.400 -0.089 0.000 2.103 145 K HA -0.024 4.295 4.320 -0.001 0.000 0.204 145 K C 2.024 178.594 176.600 -0.051 0.000 1.052 145 K CA 0.718 56.952 56.287 -0.088 0.000 0.945 145 K CB -0.267 32.153 32.500 -0.133 0.000 0.722 145 K HN 0.308 nan 8.250 nan 0.000 0.443 146 K N 0.848 121.179 120.400 -0.116 0.000 2.032 146 K HA -0.088 4.231 4.320 -0.001 0.000 0.209 146 K C 2.282 178.965 176.600 0.139 0.000 1.048 146 K CA 1.178 57.439 56.287 -0.044 0.000 0.927 146 K CB -0.271 32.111 32.500 -0.196 0.000 0.712 146 K HN 0.041 nan 8.250 nan 0.000 0.441 147 L N 1.163 122.432 121.223 0.077 0.000 2.012 147 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 147 L C 2.650 179.585 176.870 0.108 0.000 1.073 147 L CA 1.403 56.300 54.840 0.095 0.000 0.748 147 L CB -0.495 41.598 42.059 0.056 0.000 0.891 147 L HN 0.306 nan 8.230 nan 0.000 0.431 148 Q N -0.917 118.928 119.800 0.075 0.000 2.096 148 Q HA -0.285 4.055 4.340 -0.001 0.000 0.204 148 Q C 2.202 178.291 176.000 0.148 0.000 0.982 148 Q CA 1.841 57.694 55.803 0.083 0.000 0.850 148 Q CB -0.201 28.521 28.738 -0.027 0.000 0.901 148 Q HN 0.372 nan 8.270 nan 0.000 0.422 149 M N 1.093 120.808 119.600 0.192 0.000 2.099 149 M HA -0.149 4.330 4.480 -0.001 0.000 0.262 149 M C 1.647 178.129 176.300 0.303 0.000 1.067 149 M CA 1.770 57.249 55.300 0.298 0.000 1.124 149 M CB 0.008 32.884 32.600 0.459 0.000 1.353 149 M HN -0.092 nan 8.290 nan 0.000 0.410 150 K N -0.334 120.241 120.400 0.291 0.000 2.103 150 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 150 K C 2.035 178.736 176.600 0.168 0.000 1.048 150 K CA 1.792 58.218 56.287 0.233 0.000 0.930 150 K CB -0.432 32.190 32.500 0.204 0.000 0.716 150 K HN 0.607 nan 8.250 nan 0.000 0.444 151 S N 1.555 117.345 115.700 0.150 0.000 2.383 151 S HA -0.120 4.349 4.470 -0.001 0.000 0.227 151 S C 2.115 176.778 174.600 0.105 0.000 1.026 151 S CA 1.098 59.367 58.200 0.116 0.000 0.981 151 S CB -0.723 62.546 63.200 0.115 0.000 0.818 151 S HN 0.469 nan 8.310 nan 0.000 0.472 152 I N -0.313 120.331 120.570 0.124 0.000 2.676 152 I HA 0.051 4.220 4.170 -0.001 0.000 0.259 152 I C 2.000 178.161 176.117 0.074 0.000 1.194 152 I CA 0.584 61.938 61.300 0.091 0.000 1.473 152 I CB -0.501 37.552 38.000 0.089 0.000 1.096 152 I HN 0.130 nan 8.210 nan 0.000 0.443 153 V N 1.594 121.575 119.914 0.112 0.000 2.323 153 V HA -0.202 3.918 4.120 -0.001 0.000 0.244 153 V C 2.709 178.850 176.094 0.078 0.000 1.041 153 V CA 2.031 64.390 62.300 0.099 0.000 1.025 153 V CB -0.769 31.181 31.823 0.212 0.000 0.656 153 V HN 0.423 nan 8.190 nan 0.000 0.451 154 K N 1.372 121.822 120.400 0.083 0.000 2.147 154 K HA -0.204 4.115 4.320 -0.001 0.000 0.205 154 K C 1.742 178.365 176.600 0.039 0.000 1.049 154 K CA 1.676 57.998 56.287 0.058 0.000 0.936 154 K CB -0.187 32.348 32.500 0.059 0.000 0.722 154 K HN 0.674 nan 8.250 nan 0.000 0.446 155 N N -0.526 118.197 118.700 0.038 0.000 2.461 155 N HA -0.005 4.735 4.740 -0.001 0.000 0.188 155 N C 0.792 176.311 175.510 0.016 0.000 1.134 155 N CA 1.039 54.104 53.050 0.025 0.000 0.878 155 N CB 0.378 38.879 38.487 0.023 0.000 0.972 155 N HN 0.281 nan 8.380 nan 0.000 0.456 156 G N -0.295 108.512 108.800 0.012 0.000 2.159 156 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.256 156 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.256 156 G C 0.753 175.646 174.900 -0.011 0.000 0.977 156 G CA 0.530 45.626 45.100 -0.005 0.000 0.652 156 G HN 0.475 nan 8.290 nan 0.000 0.531 157 Q N -1.353 118.448 119.800 0.001 0.000 2.096 157 Q HA 0.249 4.588 4.340 -0.001 0.000 0.197 157 Q C 1.217 177.214 176.000 -0.006 0.000 0.964 157 Q CA 0.968 56.776 55.803 0.008 0.000 0.838 157 Q CB 0.246 28.995 28.738 0.018 0.000 0.906 157 Q HN 0.588 nan 8.270 nan 0.000 0.444 158 L N 1.410 122.613 121.223 -0.033 0.000 2.265 158 L HA 0.287 4.626 4.340 -0.001 0.000 0.289 158 L C -0.908 175.799 176.870 -0.272 0.000 1.033 158 L CA -0.045 54.728 54.840 -0.112 0.000 0.814 158 L CB 1.309 43.308 42.059 -0.099 0.000 1.203 158 L HN -0.065 nan 8.230 nan 0.000 0.423 159 E N 4.228 124.231 120.200 -0.328 0.000 2.187 159 E HA 0.365 4.714 4.350 -0.001 0.000 0.268 159 E C -1.444 174.899 176.600 -0.428 0.000 0.896 159 E CA -0.758 55.462 56.400 -0.301 0.000 0.766 159 E CB 0.980 30.570 29.700 -0.183 0.000 1.142 159 E HN 0.504 nan 8.360 nan 0.000 0.408 160 F N 3.276 123.183 119.950 -0.071 0.000 2.427 160 F HA 0.219 4.746 4.527 -0.001 0.000 0.352 160 F C 0.230 176.001 175.800 -0.049 0.000 1.100 160 F CA -0.519 57.448 58.000 -0.054 0.000 1.191 160 F CB 1.230 40.206 39.000 -0.041 0.000 1.128 160 F HN 0.181 nan 8.300 nan 0.000 0.533 161 V N 0.058 120.028 119.914 0.093 0.000 2.513 161 V HA 0.654 4.773 4.120 -0.001 0.000 0.299 161 V C 0.284 176.502 176.094 0.207 0.000 1.035 161 V CA -0.553 61.803 62.300 0.093 0.000 0.889 161 V CB 0.921 32.704 31.823 -0.067 0.000 0.988 161 V HN 0.980 nan 8.190 nan 0.000 0.440 162 T N 2.966 117.718 114.554 0.330 0.000 12.940 162 T HA -0.312 4.037 4.350 -0.001 0.000 0.419 162 T C 1.744 176.674 174.700 0.383 0.000 1.444 162 T CA 2.919 65.254 62.100 0.392 0.000 2.373 162 T CB -1.699 67.294 68.868 0.208 0.000 2.821 162 T HN 2.765 nan 8.240 nan 0.000 0.696 163 G N 1.685 110.644 108.800 0.264 0.000 2.157 163 G HA2 0.100 4.059 3.960 -0.001 0.000 0.248 163 G HA3 0.100 4.059 3.960 -0.001 0.000 0.248 163 G C 0.355 175.391 174.900 0.227 0.000 0.979 163 G CA 0.589 45.823 45.100 0.222 0.000 0.650 163 G HN 1.602 nan 8.290 nan 0.000 0.529 164 G N -1.441 107.489 108.800 0.217 0.000 2.606 164 G HA2 0.339 4.298 3.960 -0.001 0.000 0.252 164 G HA3 0.339 4.298 3.960 -0.001 0.000 0.252 164 G C 0.988 176.054 174.900 0.277 0.000 1.206 164 G CA 0.278 45.516 45.100 0.230 0.000 0.861 164 G HN 0.344 nan 8.290 nan 0.000 0.561 165 W N 0.573 121.907 121.300 0.058 0.000 2.342 165 W HA -0.045 4.615 4.660 -0.001 0.000 0.297 165 W C 0.772 177.311 176.519 0.034 0.000 1.213 165 W CA 1.884 59.248 57.345 0.032 0.000 1.251 165 W CB 0.239 29.703 29.460 0.007 0.000 1.136 165 W HN 0.413 nan 8.180 nan 0.000 0.526 166 V N -2.668 117.360 119.914 0.191 0.000 3.105 166 V HA 0.501 4.621 4.120 -0.001 0.000 0.311 166 V C -0.416 175.754 176.094 0.127 0.000 1.287 166 V CA -1.287 61.069 62.300 0.093 0.000 1.066 166 V CB 1.717 33.613 31.823 0.122 0.000 1.105 166 V HN -0.052 nan 8.190 nan 0.000 0.462 167 M N 3.849 123.548 119.600 0.165 0.000 2.080 167 M HA 0.521 5.000 4.480 -0.001 0.000 0.350 167 M C -2.698 173.750 176.300 0.246 0.000 1.143 167 M CA -1.869 53.549 55.300 0.196 0.000 1.064 167 M CB 1.409 34.143 32.600 0.223 0.000 1.429 167 M HN 0.624 nan 8.290 nan 0.000 0.418 168 P HA 0.166 nan 4.420 nan 0.000 0.276 168 P C -1.085 176.217 177.300 0.002 0.000 1.244 168 P CA -0.238 62.904 63.100 0.070 0.000 0.801 168 P CB 0.618 32.349 31.700 0.052 0.000 1.006 169 D N 0.425 120.794 120.400 -0.052 0.000 2.400 169 D HA -0.045 4.595 4.640 -0.001 0.000 0.238 169 D C 0.715 177.029 176.300 0.023 0.000 1.157 169 D CA 0.538 54.491 54.000 -0.079 0.000 0.889 169 D CB 0.509 41.274 40.800 -0.058 0.000 1.199 169 D HN 0.302 nan 8.370 nan 0.000 0.436 170 E N 1.311 121.572 120.200 0.101 0.000 2.490 170 E HA 0.171 4.521 4.350 -0.001 0.000 0.209 170 E C 0.985 177.787 176.600 0.337 0.000 0.971 170 E CA 0.069 56.597 56.400 0.213 0.000 0.988 170 E CB 0.635 30.451 29.700 0.193 0.000 1.029 170 E HN 0.479 nan 8.360 nan 0.000 0.496 171 A N 1.527 124.518 122.820 0.285 0.000 1.887 171 A HA 0.007 4.327 4.320 -0.001 0.000 0.212 171 A C 1.836 179.348 177.584 -0.119 0.000 1.198 171 A CA 0.712 52.698 52.037 -0.085 0.000 0.628 171 A CB 0.019 18.991 19.000 -0.046 0.000 0.847 171 A HN 0.026 nan 8.150 nan 0.000 0.449 172 N N 0.400 119.118 118.700 0.029 0.000 2.388 172 N HA 0.023 4.762 4.740 -0.001 0.000 0.176 172 N C 0.404 175.924 175.510 0.017 0.000 1.062 172 N CA 0.756 53.810 53.050 0.007 0.000 0.895 172 N CB 0.093 38.633 38.487 0.087 0.000 1.018 172 N HN 0.493 nan 8.380 nan 0.000 0.456 173 S N 0.659 116.377 115.700 0.030 0.000 2.564 173 S HA 0.059 4.528 4.470 -0.001 0.000 0.278 173 S C 0.027 174.656 174.600 0.048 0.000 1.333 173 S CA -0.590 57.635 58.200 0.040 0.000 1.048 173 S CB 1.225 64.447 63.200 0.037 0.000 0.900 173 S HN 0.207 nan 8.310 nan 0.000 0.505 174 H N 3.126 122.179 119.070 -0.029 0.000 2.582 174 H HA 0.045 4.601 4.556 -0.001 0.000 0.345 174 H C 1.188 176.486 175.328 -0.050 0.000 1.104 174 H CA -0.240 55.776 56.048 -0.054 0.000 1.390 174 H CB 0.540 30.221 29.762 -0.136 0.000 1.461 174 H HN 1.025 nan 8.280 nan 0.000 0.551 175 W N 5.613 126.778 121.300 -0.226 0.000 2.350 175 W HA -0.135 4.525 4.660 -0.001 0.000 0.289 175 W C 1.130 177.701 176.519 0.087 0.000 1.215 175 W CA 0.268 57.568 57.345 -0.074 0.000 1.236 175 W CB -0.469 28.880 29.460 -0.184 0.000 1.130 175 W HN 0.536 nan 8.180 nan 0.000 0.541 176 R N 0.787 120.896 120.500 -0.651 0.000 2.096 176 R HA -0.133 4.206 4.340 -0.001 0.000 0.235 176 R C 1.992 178.123 176.300 -0.282 0.000 1.127 176 R CA 1.849 57.486 56.100 -0.771 0.000 0.968 176 R CB -0.357 29.457 30.300 -0.810 0.000 0.861 176 R HN 0.152 nan 8.270 nan 0.000 0.440 177 N N -0.176 118.446 118.700 -0.129 0.000 2.333 177 N HA -0.057 4.682 4.740 -0.001 0.000 0.178 177 N C 1.786 177.294 175.510 -0.003 0.000 1.018 177 N CA 0.714 53.729 53.050 -0.059 0.000 0.882 177 N CB -0.061 38.412 38.487 -0.023 0.000 0.984 177 N HN -0.014 nan 8.380 nan 0.000 0.434 178 V N 1.620 121.554 119.914 0.034 0.000 2.287 178 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 178 V C 2.361 178.491 176.094 0.061 0.000 1.053 178 V CA 1.254 63.592 62.300 0.064 0.000 1.027 178 V CB -0.564 31.317 31.823 0.097 0.000 0.646 178 V HN 0.201 nan 8.190 nan 0.000 0.447 179 L N -0.376 120.891 121.223 0.074 0.000 2.093 179 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 179 L C 2.159 179.029 176.870 -0.000 0.000 1.085 179 L CA 1.723 56.599 54.840 0.060 0.000 0.755 179 L CB -0.621 41.507 42.059 0.115 0.000 0.904 179 L HN 0.293 nan 8.230 nan 0.000 0.435 180 L N -0.076 121.126 121.223 -0.035 0.000 2.012 180 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 180 L C 2.531 179.383 176.870 -0.031 0.000 1.073 180 L CA 2.309 57.118 54.840 -0.052 0.000 0.748 180 L CB -0.662 41.349 42.059 -0.081 0.000 0.891 180 L HN 0.664 nan 8.230 nan 0.000 0.431 181 Q N -1.100 118.706 119.800 0.009 0.000 2.187 181 Q HA -0.146 4.193 4.340 -0.001 0.000 0.199 181 Q C 1.996 178.069 176.000 0.122 0.000 0.957 181 Q CA 1.776 57.616 55.803 0.061 0.000 0.857 181 Q CB -1.067 27.746 28.738 0.124 0.000 0.929 181 Q HN 0.466 nan 8.270 nan 0.000 0.453 182 L N 0.882 122.162 121.223 0.095 0.000 2.017 182 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 182 L C 1.923 178.865 176.870 0.120 0.000 1.073 182 L CA 2.389 57.301 54.840 0.119 0.000 0.745 182 L CB -0.996 41.110 42.059 0.078 0.000 0.894 182 L HN 0.307 nan 8.230 nan 0.000 0.432 183 T N -0.914 113.675 114.554 0.059 0.000 2.788 183 T HA -0.191 4.159 4.350 -0.001 0.000 0.268 183 T C 1.729 176.472 174.700 0.070 0.000 1.044 183 T CA 1.460 63.585 62.100 0.042 0.000 1.139 183 T CB -0.179 68.677 68.868 -0.021 0.000 0.867 183 T HN 0.325 nan 8.240 nan 0.000 0.454 184 E N 0.890 121.106 120.200 0.027 0.000 2.051 184 E HA -0.048 4.302 4.350 -0.001 0.000 0.192 184 E C 2.330 179.055 176.600 0.208 0.000 0.991 184 E CA 1.559 57.931 56.400 -0.047 0.000 0.799 184 E CB -0.854 28.613 29.700 -0.387 0.000 0.748 184 E HN 0.455 nan 8.360 nan 0.000 0.449 185 G N -0.125 108.899 108.800 0.373 0.000 2.394 185 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.214 185 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.214 185 G C 1.476 176.599 174.900 0.371 0.000 1.176 185 G CA 0.629 46.041 45.100 0.519 0.000 0.786 185 G HN 0.253 nan 8.290 nan 0.000 0.533 186 Q N -0.115 119.836 119.800 0.252 0.000 2.167 186 Q HA -0.071 4.269 4.340 -0.001 0.000 0.202 186 Q C 2.766 178.864 176.000 0.164 0.000 0.970 186 Q CA 1.502 57.414 55.803 0.182 0.000 0.855 186 Q CB -0.264 28.561 28.738 0.145 0.000 0.911 186 Q HN 0.405 nan 8.270 nan 0.000 0.438 187 T N 0.077 114.738 114.554 0.179 0.000 2.867 187 T HA -0.169 4.181 4.350 -0.001 0.000 0.268 187 T C 1.060 175.868 174.700 0.181 0.000 1.057 187 T CA 0.931 63.114 62.100 0.137 0.000 1.136 187 T CB -0.298 68.645 68.868 0.125 0.000 0.874 187 T HN 0.469 nan 8.240 nan 0.000 0.466 188 W N 1.552 122.954 121.300 0.170 0.000 2.378 188 W HA -0.001 4.658 4.660 -0.001 0.000 0.313 188 W C 1.769 178.413 176.519 0.210 0.000 1.197 188 W CA 0.793 58.327 57.345 0.315 0.000 1.304 188 W CB -0.446 29.276 29.460 0.437 0.000 1.148 188 W HN 0.118 nan 8.180 nan 0.000 0.494 189 L N 0.793 122.254 121.223 0.397 0.000 2.042 189 L HA -0.284 4.055 4.340 -0.001 0.000 0.210 189 L C 2.635 179.445 176.870 -0.101 0.000 1.076 189 L CA 2.008 56.888 54.840 0.066 0.000 0.749 189 L CB -0.925 41.107 42.059 -0.044 0.000 0.893 189 L HN 0.014 nan 8.230 nan 0.000 0.432 190 K N -0.082 120.278 120.400 -0.067 0.000 2.057 190 K HA -0.246 4.074 4.320 -0.001 0.000 0.206 190 K C 2.184 178.654 176.600 -0.217 0.000 1.050 190 K CA 1.486 57.708 56.287 -0.108 0.000 0.935 190 K CB -0.007 32.455 32.500 -0.063 0.000 0.715 190 K HN 0.270 nan 8.250 nan 0.000 0.439 191 Q N -0.857 118.743 119.800 -0.334 0.000 2.079 191 Q HA -0.131 4.209 4.340 -0.001 0.000 0.200 191 Q C 1.280 176.798 176.000 -0.803 0.000 0.974 191 Q CA 1.611 57.048 55.803 -0.610 0.000 0.840 191 Q CB 0.088 28.336 28.738 -0.818 0.000 0.898 191 Q HN 0.304 nan 8.270 nan 0.000 0.430 192 F N -1.629 117.968 119.950 -0.589 0.000 2.602 192 F HA 0.177 4.704 4.527 -0.001 0.000 0.284 192 F C 1.758 177.270 175.800 -0.480 0.000 1.111 192 F CA 0.193 57.777 58.000 -0.693 0.000 1.405 192 F CB 0.403 38.563 39.000 -1.400 0.000 1.121 192 F HN 0.060 nan 8.300 nan 0.000 0.603 193 M N -0.800 118.653 119.600 -0.244 0.000 2.331 193 M HA 0.204 4.683 4.480 -0.001 0.000 0.266 193 M C 0.227 176.505 176.300 -0.037 0.000 1.055 193 M CA 0.332 55.586 55.300 -0.077 0.000 1.048 193 M CB -0.721 31.855 32.600 -0.041 0.000 1.460 193 M HN 0.114 nan 8.290 nan 0.000 0.519 194 N N 1.902 120.549 118.700 -0.088 0.000 2.740 194 N HA -0.132 4.607 4.740 -0.001 0.000 0.248 194 N C -1.028 174.465 175.510 -0.028 0.000 1.062 194 N CA 0.650 53.663 53.050 -0.062 0.000 0.704 194 N CB -1.014 37.449 38.487 -0.040 0.000 0.968 194 N HN 0.337 nan 8.380 nan 0.000 0.547 195 V N -3.537 116.360 119.914 -0.030 0.000 2.971 195 V HA 0.865 4.984 4.120 -0.001 0.000 0.309 195 V C 0.079 176.158 176.094 -0.024 0.000 1.130 195 V CA -0.523 61.775 62.300 -0.004 0.000 0.964 195 V CB 2.330 34.194 31.823 0.070 0.000 1.029 195 V HN 0.062 nan 8.190 nan 0.000 0.427 196 T N 4.156 118.687 114.554 -0.038 0.000 2.892 196 T HA 0.574 4.923 4.350 -0.001 0.000 0.311 196 T C -2.697 171.925 174.700 -0.130 0.000 1.033 196 T CA -0.787 61.271 62.100 -0.070 0.000 0.991 196 T CB 1.351 70.168 68.868 -0.085 0.000 0.981 196 T HN 0.757 nan 8.240 nan 0.000 0.457 197 P HA 0.161 nan 4.420 nan 0.000 0.266 197 P C 0.817 177.752 177.300 -0.609 0.000 1.195 197 P CA -0.134 62.855 63.100 -0.185 0.000 0.768 197 P CB 0.526 32.228 31.700 0.004 0.000 0.838 198 T N -1.745 112.510 114.554 -0.498 0.000 3.043 198 T HA 0.544 4.894 4.350 -0.001 0.000 0.272 198 T C 0.309 174.841 174.700 -0.280 0.000 0.990 198 T CA -0.300 61.385 62.100 -0.692 0.000 0.897 198 T CB 0.126 68.780 68.868 -0.358 0.000 1.111 198 T HN 0.407 nan 8.240 nan 0.000 0.529 199 A N 0.878 123.690 122.820 -0.014 0.000 2.343 199 A HA 0.808 5.127 4.320 -0.001 0.000 0.316 199 A C -0.136 177.704 177.584 0.427 0.000 1.104 199 A CA -0.696 51.464 52.037 0.206 0.000 0.768 199 A CB 1.808 20.940 19.000 0.219 0.000 1.213 199 A HN 0.272 nan 8.150 nan 0.000 0.456 200 S N 2.086 118.017 115.700 0.385 0.000 2.593 200 S HA 0.710 5.179 4.470 -0.001 0.000 0.297 200 S C -1.163 173.608 174.600 0.285 0.000 1.112 200 S CA -0.437 57.927 58.200 0.273 0.000 1.043 200 S CB 0.855 64.042 63.200 -0.020 0.000 1.054 200 S HN 0.866 nan 8.310 nan 0.000 0.516 201 W N 4.271 125.572 121.300 0.001 0.000 2.631 201 W HA 0.621 5.281 4.660 -0.001 0.000 0.321 201 W C -1.603 174.856 176.519 -0.100 0.000 1.004 201 W CA -0.787 56.517 57.345 -0.068 0.000 1.291 201 W CB 1.068 30.463 29.460 -0.109 0.000 1.300 201 W HN 0.793 nan 8.180 nan 0.000 0.422 202 A N 7.860 130.502 122.820 -0.296 0.000 2.709 202 A HA 0.314 4.634 4.320 -0.001 0.000 0.332 202 A C 0.294 177.619 177.584 -0.431 0.000 1.241 202 A CA -0.486 51.398 52.037 -0.254 0.000 0.782 202 A CB -0.306 18.669 19.000 -0.042 0.000 1.109 202 A HN 0.702 nan 8.150 nan 0.000 0.472 203 I N -2.614 117.537 120.570 -0.698 0.000 3.783 203 I HA 0.301 4.470 4.170 -0.001 0.000 0.310 203 I C 0.746 176.527 176.117 -0.560 0.000 1.274 203 I CA 0.744 61.584 61.300 -0.767 0.000 1.294 203 I CB 0.446 37.749 38.000 -1.161 0.000 1.051 203 I HN 0.339 nan 8.210 nan 0.000 0.435 204 D N 0.403 120.441 120.400 -0.603 0.000 2.480 204 D HA 0.250 4.890 4.640 -0.001 0.000 0.243 204 D C -2.204 173.652 176.300 -0.740 0.000 1.120 204 D CA -0.593 53.035 54.000 -0.618 0.000 0.835 204 D CB 0.175 40.533 40.800 -0.735 0.000 1.204 204 D HN 0.173 nan 8.370 nan 0.000 0.513 205 P HA 0.074 nan 4.420 nan 0.000 0.269 205 P C -0.549 176.297 177.300 -0.757 0.000 1.209 205 P CA 0.018 62.565 63.100 -0.922 0.000 0.776 205 P CB 0.219 31.549 31.700 -0.617 0.000 0.876 206 F N 2.103 121.816 119.950 -0.396 0.000 2.541 206 F HA 0.548 5.074 4.527 -0.001 0.000 0.351 206 F C 1.379 177.124 175.800 -0.090 0.000 1.209 206 F CA -0.689 57.054 58.000 -0.427 0.000 1.277 206 F CB -1.098 37.812 39.000 -0.150 0.000 1.632 206 F HN 0.481 nan 8.300 nan 0.000 0.619 207 G N 1.202 109.778 108.800 -0.373 0.000 2.629 207 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.686 207 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.686 207 G C -1.518 172.983 174.900 -0.665 0.000 1.232 207 G CA -1.179 43.767 45.100 -0.257 0.000 0.803 207 G HN 0.586 nan 8.290 nan 0.000 0.638 208 H N -0.427 118.333 119.070 -0.517 0.000 2.717 208 H HA 0.744 5.300 4.556 -0.001 0.000 0.366 208 H C -0.340 174.890 175.328 -0.164 0.000 1.132 208 H CA 0.006 55.944 56.048 -0.183 0.000 1.180 208 H CB 2.080 31.903 29.762 0.101 0.000 1.678 208 H HN 0.672 nan 8.280 nan 0.000 0.537 209 S N 2.351 118.183 115.700 0.219 0.000 2.501 209 S HA 0.254 4.724 4.470 -0.001 0.000 0.301 209 S C -1.753 172.874 174.600 0.044 0.000 1.096 209 S CA -1.805 56.541 58.200 0.244 0.000 1.063 209 S CB 1.288 64.671 63.200 0.304 0.000 1.042 209 S HN 0.439 nan 8.310 nan 0.000 0.494 210 P HA 0.005 nan 4.420 nan 0.000 0.230 210 P C 1.122 178.189 177.300 -0.388 0.000 1.158 210 P CA 0.812 63.561 63.100 -0.585 0.000 0.769 210 P CB -0.291 31.212 31.700 -0.329 0.000 0.807 211 T N -0.212 114.237 114.554 -0.174 0.000 2.803 211 T HA -0.108 4.242 4.350 -0.001 0.000 0.269 211 T C 1.834 176.492 174.700 -0.070 0.000 1.052 211 T CA 1.221 63.255 62.100 -0.109 0.000 1.136 211 T CB -0.414 68.422 68.868 -0.054 0.000 0.864 211 T HN -0.005 nan 8.240 nan 0.000 0.467 212 M N 0.931 120.451 119.600 -0.133 0.000 2.059 212 M HA -0.012 4.468 4.480 -0.001 0.000 0.259 212 M C -0.588 175.581 176.300 -0.218 0.000 1.072 212 M CA 1.294 56.510 55.300 -0.139 0.000 1.117 212 M CB -2.483 30.054 32.600 -0.104 0.000 1.320 212 M HN 0.144 nan 8.290 nan 0.000 0.408 213 P HA -0.199 nan 4.420 nan 0.000 0.220 213 P C 1.663 178.839 177.300 -0.206 0.000 1.148 213 P CA 1.406 64.316 63.100 -0.317 0.000 0.803 213 P CB -0.430 30.982 31.700 -0.481 0.000 0.782 214 Y N 1.090 121.209 120.300 -0.302 0.000 2.097 214 Y HA -0.204 4.346 4.550 -0.001 0.000 0.282 214 Y C 2.416 178.236 175.900 -0.134 0.000 1.152 214 Y CA 1.735 59.718 58.100 -0.194 0.000 1.136 214 Y CB -0.915 37.445 38.460 -0.168 0.000 0.975 214 Y HN -0.239 nan 8.280 nan 0.000 0.498 215 I N -0.459 120.137 120.570 0.043 0.000 2.286 215 I HA -0.295 3.875 4.170 -0.001 0.000 0.245 215 I C 2.268 178.327 176.117 -0.096 0.000 1.104 215 I CA 1.021 62.322 61.300 0.001 0.000 1.397 215 I CB -0.375 37.677 38.000 0.087 0.000 1.072 215 I HN 0.265 nan 8.210 nan 0.000 0.417 216 L N 0.086 121.201 121.223 -0.180 0.000 2.017 216 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 216 L C 2.713 179.573 176.870 -0.016 0.000 1.073 216 L CA 1.311 55.988 54.840 -0.272 0.000 0.745 216 L CB -0.763 40.980 42.059 -0.527 0.000 0.894 216 L HN 0.351 nan 8.230 nan 0.000 0.432 217 Q N 1.068 120.825 119.800 -0.072 0.000 2.181 217 Q HA -0.222 4.118 4.340 -0.001 0.000 0.205 217 Q C 1.830 177.797 176.000 -0.054 0.000 0.980 217 Q CA 1.622 57.398 55.803 -0.044 0.000 0.862 217 Q CB 0.064 28.741 28.738 -0.102 0.000 0.905 217 Q HN 0.479 nan 8.270 nan 0.000 0.429 218 K N -0.506 119.825 120.400 -0.116 0.000 2.487 218 K HA 0.087 4.406 4.320 -0.001 0.000 0.192 218 K C 0.879 177.453 176.600 -0.044 0.000 1.027 218 K CA 0.253 56.468 56.287 -0.120 0.000 1.054 218 K CB 0.454 32.821 32.500 -0.222 0.000 0.824 218 K HN -0.055 nan 8.250 nan 0.000 0.510 219 S N -0.159 115.567 115.700 0.042 0.000 2.601 219 S HA 0.192 4.661 4.470 -0.001 0.000 0.244 219 S C 0.787 175.484 174.600 0.161 0.000 1.001 219 S CA 0.156 58.426 58.200 0.116 0.000 0.984 219 S CB 1.205 64.520 63.200 0.192 0.000 0.842 219 S HN 0.528 nan 8.310 nan 0.000 0.474 220 G N 1.203 110.054 108.800 0.084 0.000 2.176 220 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.253 220 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.253 220 G C -0.028 174.839 174.900 -0.056 0.000 0.979 220 G CA -0.441 44.650 45.100 -0.016 0.000 0.641 220 G HN 0.440 nan 8.290 nan 0.000 0.530 221 F N 0.303 120.214 119.950 -0.066 0.000 2.450 221 F HA 0.566 5.093 4.527 -0.001 0.000 0.339 221 F C 1.576 177.319 175.800 -0.096 0.000 1.146 221 F CA 0.013 57.970 58.000 -0.073 0.000 1.267 221 F CB 0.965 39.925 39.000 -0.067 0.000 1.178 221 F HN -0.196 nan 8.300 nan 0.000 0.585 222 K N 0.914 121.326 120.400 0.019 0.000 2.425 222 K HA 0.255 4.574 4.320 -0.001 0.000 0.201 222 K C -0.356 176.190 176.600 -0.091 0.000 1.128 222 K CA 0.293 56.542 56.287 -0.064 0.000 1.000 222 K CB 0.263 32.679 32.500 -0.139 0.000 0.961 222 K HN 0.544 nan 8.250 nan 0.000 0.555 223 N N 0.559 119.184 118.700 -0.126 0.000 2.591 223 N HA 0.376 5.116 4.740 -0.001 0.000 0.263 223 N C -1.020 174.323 175.510 -0.278 0.000 1.308 223 N CA -0.428 52.396 53.050 -0.376 0.000 0.837 223 N CB 2.502 40.259 38.487 -1.216 0.000 1.548 223 N HN -0.080 nan 8.380 nan 0.000 0.493 224 M N -0.336 119.099 119.600 -0.274 0.000 2.520 224 M HA 0.605 5.084 4.480 -0.001 0.000 0.283 224 M C -2.071 174.266 176.300 0.061 0.000 1.237 224 M CA -0.905 54.363 55.300 -0.053 0.000 0.885 224 M CB 2.860 35.431 32.600 -0.047 0.000 1.727 224 M HN 0.483 nan 8.290 nan 0.000 0.468 225 L N 4.313 125.597 121.223 0.102 0.000 2.386 225 L HA 0.872 5.211 4.340 -0.001 0.000 0.271 225 L C -1.407 175.332 176.870 -0.218 0.000 0.993 225 L CA -0.734 54.126 54.840 0.033 0.000 0.819 225 L CB 1.863 43.978 42.059 0.093 0.000 1.294 225 L HN 0.943 nan 8.230 nan 0.000 0.414 226 I N 1.058 121.420 120.570 -0.347 0.000 3.042 226 I HA 0.613 4.782 4.170 -0.001 0.000 0.310 226 I C -0.680 175.134 176.117 -0.505 0.000 1.117 226 I CA -0.581 60.336 61.300 -0.638 0.000 1.003 226 I CB 2.247 39.591 38.000 -1.093 0.000 1.228 226 I HN 0.714 nan 8.210 nan 0.000 0.443 227 Q N 2.068 121.625 119.800 -0.405 0.000 2.506 227 Q HA 0.328 4.668 4.340 -0.001 0.000 0.239 227 Q C 0.057 175.937 176.000 -0.200 0.000 0.782 227 Q CA 0.465 56.107 55.803 -0.268 0.000 0.972 227 Q CB 0.644 29.218 28.738 -0.273 0.000 1.304 227 Q HN 0.665 nan 8.270 nan 0.000 0.534 228 R N 2.042 122.450 120.500 -0.153 0.000 2.870 228 R HA 0.337 4.676 4.340 -0.001 0.000 0.254 228 R C -0.690 175.371 176.300 -0.398 0.000 1.392 228 R CA 0.502 56.266 56.100 -0.560 0.000 1.322 228 R CB 0.276 29.909 30.300 -1.113 0.000 1.205 228 R HN 0.370 nan 8.270 nan 0.000 0.597 229 T N -2.564 111.960 114.554 -0.050 0.000 2.924 229 T HA 0.141 4.490 4.350 -0.001 0.000 0.291 229 T C 0.062 175.012 174.700 0.415 0.000 1.045 229 T CA -0.872 61.325 62.100 0.162 0.000 1.015 229 T CB 1.790 70.593 68.868 -0.108 0.000 1.103 229 T HN 0.398 nan 8.240 nan 0.000 0.496 230 H N 2.029 121.314 119.070 0.357 0.000 3.140 230 H HA -0.055 4.501 4.556 -0.001 0.000 0.316 230 H C 1.069 176.442 175.328 0.074 0.000 0.986 230 H CA 0.521 56.671 56.048 0.169 0.000 1.397 230 H CB 0.328 30.217 29.762 0.211 0.000 1.377 230 H HN 0.933 nan 8.280 nan 0.000 0.585 231 Y N 2.498 122.863 120.300 0.108 0.000 2.207 231 Y HA -0.195 4.355 4.550 -0.001 0.000 0.287 231 Y C 2.211 178.272 175.900 0.267 0.000 1.156 231 Y CA 1.065 59.275 58.100 0.183 0.000 1.182 231 Y CB -0.758 37.748 38.460 0.078 0.000 0.979 231 Y HN 0.318 nan 8.280 nan 0.000 0.521 232 S N 0.332 116.036 115.700 0.006 0.000 2.402 232 S HA -0.129 4.341 4.470 -0.001 0.000 0.229 232 S C 2.062 176.570 174.600 -0.154 0.000 1.021 232 S CA 1.266 59.373 58.200 -0.155 0.000 0.974 232 S CB -0.561 62.315 63.200 -0.540 0.000 0.800 232 S HN 0.384 nan 8.310 nan 0.000 0.484 233 V N 1.826 121.723 119.914 -0.029 0.000 2.323 233 V HA -0.128 3.992 4.120 -0.001 0.000 0.244 233 V C 2.204 178.334 176.094 0.061 0.000 1.041 233 V CA 1.469 63.781 62.300 0.020 0.000 1.025 233 V CB -0.494 31.453 31.823 0.207 0.000 0.656 233 V HN 0.399 nan 8.190 nan 0.000 0.451 234 K N 0.308 120.782 120.400 0.123 0.000 2.044 234 K HA -0.280 4.040 4.320 -0.001 0.000 0.210 234 K C 2.264 178.989 176.600 0.208 0.000 1.049 234 K CA 2.017 58.393 56.287 0.148 0.000 0.927 234 K CB -0.266 32.371 32.500 0.228 0.000 0.713 234 K HN 0.343 nan 8.250 nan 0.000 0.443 235 K N 1.119 121.642 120.400 0.204 0.000 2.057 235 K HA -0.223 4.097 4.320 -0.001 0.000 0.206 235 K C 2.151 178.845 176.600 0.157 0.000 1.050 235 K CA 1.654 58.076 56.287 0.224 0.000 0.935 235 K CB 0.054 32.613 32.500 0.097 0.000 0.715 235 K HN -0.010 nan 8.250 nan 0.000 0.439 236 E N 0.958 121.170 120.200 0.021 0.000 2.031 236 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 236 E C 1.938 178.533 176.600 -0.009 0.000 0.994 236 E CA 1.450 57.821 56.400 -0.047 0.000 0.800 236 E CB -0.208 29.416 29.700 -0.127 0.000 0.752 236 E HN 0.333 nan 8.360 nan 0.000 0.447 237 L N -0.177 121.052 121.223 0.011 0.000 2.093 237 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 237 L C 2.518 179.411 176.870 0.039 0.000 1.085 237 L CA 0.968 55.811 54.840 0.005 0.000 0.755 237 L CB -0.623 41.429 42.059 -0.012 0.000 0.904 237 L HN 0.220 nan 8.230 nan 0.000 0.435 238 A N -0.341 122.550 122.820 0.119 0.000 1.933 238 A HA -0.248 4.071 4.320 -0.001 0.000 0.218 238 A C 2.209 179.972 177.584 0.298 0.000 1.175 238 A CA 1.444 53.600 52.037 0.199 0.000 0.628 238 A CB -0.455 18.794 19.000 0.416 0.000 0.814 238 A HN 0.455 nan 8.150 nan 0.000 0.444 239 Q N -0.991 118.944 119.800 0.225 0.000 2.181 239 Q HA -0.174 4.166 4.340 -0.001 0.000 0.205 239 Q C 1.406 177.402 176.000 -0.006 0.000 0.980 239 Q CA 1.387 57.176 55.803 -0.024 0.000 0.862 239 Q CB -0.037 28.558 28.738 -0.239 0.000 0.905 239 Q HN 0.620 nan 8.270 nan 0.000 0.429 240 Q N -0.365 119.442 119.800 0.012 0.000 2.282 240 Q HA 0.141 4.481 4.340 -0.001 0.000 0.206 240 Q C -0.410 175.610 176.000 0.033 0.000 0.878 240 Q CA -0.013 55.793 55.803 0.006 0.000 0.944 240 Q CB 0.753 29.485 28.738 -0.010 0.000 1.100 240 Q HN 0.283 nan 8.270 nan 0.000 0.509 241 R N 0.791 121.315 120.500 0.039 0.000 3.333 241 R HA -0.205 4.134 4.340 -0.001 0.000 0.256 241 R C -0.066 176.269 176.300 0.058 0.000 1.010 241 R CA 0.447 56.561 56.100 0.023 0.000 0.680 241 R CB -1.983 28.355 30.300 0.063 0.000 1.102 241 R HN 0.375 nan 8.270 nan 0.000 0.440 242 Q N 0.087 119.910 119.800 0.039 0.000 2.186 242 Q HA 0.194 4.533 4.340 -0.001 0.000 0.241 242 Q C 1.275 177.358 176.000 0.138 0.000 0.849 242 Q CA -0.231 55.630 55.803 0.097 0.000 1.053 242 Q CB 0.504 29.265 28.738 0.039 0.000 1.146 242 Q HN 0.449 nan 8.270 nan 0.000 0.475 243 L N 0.108 121.340 121.223 0.016 0.000 2.395 243 L HA -0.003 4.337 4.340 -0.001 0.000 0.218 243 L C 0.332 177.167 176.870 -0.059 0.000 1.130 243 L CA 1.059 55.867 54.840 -0.053 0.000 0.826 243 L CB 0.229 42.063 42.059 -0.375 0.000 0.941 243 L HN 0.173 nan 8.230 nan 0.000 0.451 244 E N 0.055 120.268 120.200 0.022 0.000 2.176 244 E HA 0.517 4.867 4.350 -0.001 0.000 0.267 244 E C -1.225 175.260 176.600 -0.192 0.000 0.893 244 E CA -0.526 55.677 56.400 -0.329 0.000 0.761 244 E CB 1.554 31.188 29.700 -0.111 0.000 1.133 244 E HN -0.002 nan 8.360 nan 0.000 0.409 245 F N -0.229 119.443 119.950 -0.463 0.000 2.686 245 F HA 0.491 5.017 4.527 -0.001 0.000 0.311 245 F C -1.440 174.240 175.800 -0.201 0.000 1.128 245 F CA -1.429 56.452 58.000 -0.199 0.000 0.946 245 F CB 0.782 39.710 39.000 -0.120 0.000 1.336 245 F HN 0.149 nan 8.300 nan 0.000 0.457 246 L N 2.562 123.947 121.223 0.270 0.000 2.282 246 L HA 0.176 4.515 4.340 -0.001 0.000 0.287 246 L C -1.094 176.005 176.870 0.381 0.000 1.075 246 L CA -0.204 54.792 54.840 0.259 0.000 0.839 246 L CB 0.461 42.672 42.059 0.253 0.000 1.219 246 L HN 0.575 nan 8.230 nan 0.000 0.434 247 W N 6.824 128.241 121.300 0.196 0.000 2.416 247 W HA 0.338 4.997 4.660 -0.001 0.000 0.318 247 W C 0.259 176.804 176.519 0.044 0.000 1.150 247 W CA -1.285 56.188 57.345 0.213 0.000 1.392 247 W CB 0.433 30.062 29.460 0.282 0.000 1.311 247 W HN 0.520 nan 8.180 nan 0.000 0.436 248 R N 3.598 124.268 120.500 0.283 0.000 2.782 248 R HA 0.559 4.898 4.340 -0.001 0.000 0.258 248 R C -0.097 176.110 176.300 -0.155 0.000 1.055 248 R CA -0.907 55.186 56.100 -0.011 0.000 1.065 248 R CB 1.050 31.326 30.300 -0.040 0.000 1.172 248 R HN 0.230 nan 8.270 nan 0.000 0.510 249 Q N 1.131 120.685 119.800 -0.411 0.000 2.368 249 Q HA 0.089 4.428 4.340 -0.001 0.000 0.237 249 Q C 1.477 177.093 176.000 -0.641 0.000 0.987 249 Q CA 0.006 55.370 55.803 -0.731 0.000 0.896 249 Q CB 0.984 28.838 28.738 -1.473 0.000 1.241 249 Q HN 0.847 nan 8.270 nan 0.000 0.485 250 I N -2.181 118.116 120.570 -0.454 0.000 2.454 250 I HA -0.162 4.008 4.170 -0.001 0.000 0.254 250 I C 1.281 177.352 176.117 -0.075 0.000 1.156 250 I CA 1.368 62.565 61.300 -0.171 0.000 1.433 250 I CB -0.354 37.642 38.000 -0.007 0.000 1.082 250 I HN 0.669 nan 8.210 nan 0.000 0.432 251 W N 1.140 122.500 121.300 0.100 0.000 3.220 251 W HA 0.377 5.037 4.660 -0.001 0.000 0.328 251 W C 0.255 176.853 176.519 0.133 0.000 1.205 251 W CA -0.699 56.766 57.345 0.200 0.000 1.773 251 W CB -0.696 28.968 29.460 0.339 0.000 1.086 251 W HN -0.089 nan 8.180 nan 0.000 0.622 252 D N 2.028 122.216 120.400 -0.353 0.000 2.374 252 D HA -0.040 4.599 4.640 -0.001 0.000 0.240 252 D C 0.930 177.214 176.300 -0.026 0.000 1.229 252 D CA 0.283 54.179 54.000 -0.174 0.000 0.895 252 D CB 0.358 40.951 40.800 -0.345 0.000 1.046 252 D HN 0.075 nan 8.370 nan 0.000 0.498 253 N N 3.592 122.334 118.700 0.071 0.000 2.300 253 N HA -0.101 4.638 4.740 -0.001 0.000 0.179 253 N C 1.421 176.952 175.510 0.036 0.000 1.016 253 N CA 0.984 54.066 53.050 0.054 0.000 0.876 253 N CB 0.174 38.713 38.487 0.086 0.000 0.979 253 N HN 0.333 nan 8.380 nan 0.000 0.432 254 K N -1.157 119.269 120.400 0.043 0.000 2.137 254 K HA 0.095 4.414 4.320 -0.001 0.000 0.202 254 K C 0.589 177.203 176.600 0.024 0.000 1.052 254 K CA 0.983 57.291 56.287 0.036 0.000 0.961 254 K CB 0.054 32.580 32.500 0.043 0.000 0.741 254 K HN 0.224 nan 8.250 nan 0.000 0.452 255 G N 1.008 109.814 108.800 0.010 0.000 2.144 255 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.218 255 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.218 255 G C 0.137 175.039 174.900 0.004 0.000 0.988 255 G CA 0.375 45.478 45.100 0.005 0.000 0.659 255 G HN 0.378 nan 8.290 nan 0.000 0.522 256 D N 0.551 120.954 120.400 0.005 0.000 2.310 256 D HA -0.046 4.593 4.640 -0.001 0.000 0.212 256 D C 2.567 178.852 176.300 -0.024 0.000 0.965 256 D CA 1.725 55.725 54.000 -0.000 0.000 0.879 256 D CB -0.201 40.606 40.800 0.012 0.000 0.921 256 D HN 0.681 nan 8.370 nan 0.000 0.510 257 T N -1.912 112.615 114.554 -0.044 0.000 3.148 257 T HA 0.292 4.641 4.350 -0.001 0.000 0.253 257 T C 0.959 175.615 174.700 -0.073 0.000 1.134 257 T CA -0.091 61.958 62.100 -0.084 0.000 1.051 257 T CB 0.033 68.823 68.868 -0.130 0.000 0.959 257 T HN 0.056 nan 8.240 nan 0.000 0.525 258 A N 1.345 124.151 122.820 -0.024 0.000 2.498 258 A HA 0.581 4.900 4.320 -0.001 0.000 0.239 258 A C -0.305 177.298 177.584 0.033 0.000 1.068 258 A CA -0.412 51.642 52.037 0.029 0.000 0.766 258 A CB -0.029 19.016 19.000 0.074 0.000 1.003 258 A HN 0.545 nan 8.150 nan 0.000 0.497 259 L N 2.461 123.725 121.223 0.068 0.000 2.409 259 L HA 0.565 4.904 4.340 -0.001 0.000 0.272 259 L C -0.710 176.224 176.870 0.106 0.000 0.980 259 L CA -0.540 54.337 54.840 0.061 0.000 0.826 259 L CB 1.480 43.539 42.059 -0.001 0.000 1.268 259 L HN 0.655 nan 8.230 nan 0.000 0.407 260 F N 3.898 123.813 119.950 -0.058 0.000 2.571 260 F HA 0.395 4.921 4.527 -0.001 0.000 0.384 260 F C 0.046 175.729 175.800 -0.194 0.000 1.058 260 F CA 0.680 58.614 58.000 -0.110 0.000 1.200 260 F CB 0.422 39.382 39.000 -0.067 0.000 1.077 260 F HN 0.559 nan 8.300 nan 0.000 0.558 261 T N 5.454 119.454 114.554 -0.923 0.000 2.841 261 T HA 0.223 4.572 4.350 -0.001 0.000 0.283 261 T C -1.561 172.503 174.700 -1.060 0.000 1.000 261 T CA -0.466 61.156 62.100 -0.796 0.000 0.977 261 T CB 0.988 69.397 68.868 -0.766 0.000 0.979 261 T HN 0.615 nan 8.240 nan 0.000 0.446 262 H N 2.467 121.219 119.070 -0.531 0.000 2.511 262 H HA 0.624 5.179 4.556 -0.001 0.000 0.328 262 H C -0.529 174.601 175.328 -0.330 0.000 1.044 262 H CA -0.773 55.073 56.048 -0.336 0.000 1.212 262 H CB 0.832 30.626 29.762 0.053 0.000 1.428 262 H HN 0.473 nan 8.280 nan 0.000 0.483 263 M N 6.891 126.184 119.600 -0.512 0.000 2.113 263 M HA 0.310 4.789 4.480 -0.001 0.000 0.352 263 M C -0.928 175.154 176.300 -0.362 0.000 1.170 263 M CA -0.637 54.432 55.300 -0.386 0.000 1.053 263 M CB 0.700 33.117 32.600 -0.304 0.000 1.601 263 M HN 0.690 nan 8.290 nan 0.000 0.459 264 M N 6.933 126.402 119.600 -0.218 0.000 2.248 264 M HA 0.187 4.666 4.480 -0.001 0.000 0.337 264 M C -1.611 174.549 176.300 -0.233 0.000 1.121 264 M CA -1.267 53.935 55.300 -0.163 0.000 1.155 264 M CB 0.181 32.702 32.600 -0.133 0.000 1.514 264 M HN 0.461 nan 8.290 nan 0.000 0.452 265 P HA 0.117 nan 4.420 nan 0.000 0.239 265 P C -0.343 176.716 177.300 -0.401 0.000 1.188 265 P CA 0.923 63.686 63.100 -0.562 0.000 0.794 265 P CB 0.332 31.392 31.700 -1.067 0.000 0.937 266 F N -1.830 118.117 119.950 -0.005 0.000 2.629 266 F HA 0.309 4.836 4.527 -0.001 0.000 0.386 266 F C 2.010 177.893 175.800 0.138 0.000 1.135 266 F CA -1.271 56.763 58.000 0.056 0.000 1.116 266 F CB -0.907 38.062 39.000 -0.052 0.000 1.426 266 F HN -0.317 nan 8.300 nan 0.000 0.501 267 Y N -0.188 120.252 120.300 0.235 0.000 2.457 267 Y HA 0.215 4.765 4.550 -0.001 0.000 0.292 267 Y C 0.818 176.629 175.900 -0.149 0.000 1.125 267 Y CA 1.111 59.203 58.100 -0.013 0.000 1.254 267 Y CB 0.174 38.522 38.460 -0.186 0.000 1.012 267 Y HN 0.360 nan 8.280 nan 0.000 0.555 268 S N -1.700 113.862 115.700 -0.230 0.000 2.671 268 S HA 0.247 4.717 4.470 -0.001 0.000 0.277 268 S C -0.499 174.038 174.600 -0.106 0.000 1.165 268 S CA -0.368 57.615 58.200 -0.360 0.000 0.822 268 S CB 0.266 63.216 63.200 -0.417 0.000 1.150 268 S HN 0.283 nan 8.310 nan 0.000 0.479 269 Y N 0.719 120.987 120.300 -0.053 0.000 2.457 269 Y HA 0.351 4.901 4.550 -0.001 0.000 0.263 269 Y C 0.359 176.348 175.900 0.148 0.000 1.164 269 Y CA -0.633 57.463 58.100 -0.007 0.000 1.274 269 Y CB -0.917 37.449 38.460 -0.157 0.000 1.097 269 Y HN 0.521 nan 8.280 nan 0.000 0.523 270 D N 0.655 121.056 120.400 0.002 0.000 2.371 270 D HA -0.013 4.627 4.640 -0.001 0.000 0.242 270 D C 1.250 177.670 176.300 0.200 0.000 1.218 270 D CA -0.432 53.653 54.000 0.142 0.000 0.945 270 D CB 0.903 41.751 40.800 0.080 0.000 1.137 270 D HN 0.255 nan 8.370 nan 0.000 0.464 271 I N -0.124 120.541 120.570 0.158 0.000 2.226 271 I HA -0.167 4.003 4.170 -0.001 0.000 0.245 271 I C -0.744 175.399 176.117 0.044 0.000 1.100 271 I CA 0.919 62.297 61.300 0.131 0.000 1.374 271 I CB -1.147 36.920 38.000 0.112 0.000 1.057 271 I HN 0.346 nan 8.210 nan 0.000 0.413 272 P HA -0.157 nan 4.420 nan 0.000 0.221 272 P C 0.623 177.589 177.300 -0.556 0.000 1.145 272 P CA 1.617 64.509 63.100 -0.348 0.000 0.795 272 P CB -0.103 31.352 31.700 -0.409 0.000 0.775 273 H N -3.070 115.982 119.070 -0.030 0.000 2.528 273 H HA 0.207 4.762 4.556 -0.001 0.000 0.282 273 H C 0.985 176.403 175.328 0.150 0.000 1.097 273 H CA 0.623 56.674 56.048 0.005 0.000 1.121 273 H CB -0.186 29.652 29.762 0.127 0.000 1.590 273 H HN 0.112 nan 8.280 nan 0.000 0.553 274 T N -4.155 110.510 114.554 0.185 0.000 2.975 274 T HA -0.030 4.319 4.350 -0.001 0.000 0.261 274 T C 1.840 176.661 174.700 0.201 0.000 0.984 274 T CA 0.358 62.596 62.100 0.231 0.000 0.911 274 T CB -0.655 68.340 68.868 0.212 0.000 1.127 274 T HN 0.506 nan 8.240 nan 0.000 0.514 275 c N 1.619 120.304 118.600 0.141 0.000 2.495 275 c HA 0.697 5.266 4.570 -0.001 0.000 0.275 275 c C 1.362 175.559 174.090 0.179 0.000 1.392 275 c CA 0.463 56.912 56.329 0.200 0.000 1.766 275 c CB -1.182 41.403 42.510 0.125 0.000 1.933 275 c HN 0.888 nan 8.230 nan 0.000 0.519 276 G N -0.282 108.527 108.800 0.015 0.000 2.327 276 G HA2 0.362 4.322 3.960 -0.001 0.000 0.291 276 G HA3 0.362 4.322 3.960 -0.001 0.000 0.291 276 G C -2.745 171.708 174.900 -0.744 0.000 1.290 276 G CA 0.257 45.289 45.100 -0.114 0.000 0.857 276 G HN -0.091 nan 8.290 nan 0.000 0.520 277 P HA 0.128 nan 4.420 nan 0.000 0.236 277 P C -0.177 176.704 177.300 -0.698 0.000 1.177 277 P CA 0.959 63.345 63.100 -1.191 0.000 0.773 277 P CB 0.414 31.735 31.700 -0.632 0.000 0.878 278 D N 1.079 121.180 120.400 -0.498 0.000 2.454 278 D HA 0.150 4.789 4.640 -0.001 0.000 0.225 278 D C -1.521 174.446 176.300 -0.556 0.000 1.081 278 D CA -2.628 51.129 54.000 -0.406 0.000 0.864 278 D CB 1.277 41.925 40.800 -0.254 0.000 1.040 278 D HN -0.020 nan 8.370 nan 0.000 0.517 279 P HA -0.133 nan 4.420 nan 0.000 0.223 279 P C 1.207 177.744 177.300 -1.271 0.000 1.151 279 P CA 0.651 63.019 63.100 -1.219 0.000 0.787 279 P CB 0.483 31.111 31.700 -1.787 0.000 0.788 280 K N 0.278 120.088 120.400 -0.984 0.000 2.148 280 K HA -0.065 4.254 4.320 -0.001 0.000 0.204 280 K C 1.773 178.209 176.600 -0.275 0.000 1.050 280 K CA 1.044 57.039 56.287 -0.486 0.000 0.942 280 K CB -0.213 32.174 32.500 -0.189 0.000 0.724 280 K HN -0.072 nan 8.250 nan 0.000 0.446 281 V N 0.316 120.069 119.914 -0.267 0.000 2.302 281 V HA -0.241 3.879 4.120 -0.001 0.000 0.243 281 V C 2.402 178.473 176.094 -0.039 0.000 1.036 281 V CA 1.409 63.640 62.300 -0.115 0.000 1.020 281 V CB -0.368 31.397 31.823 -0.097 0.000 0.657 281 V HN 0.468 nan 8.190 nan 0.000 0.453 282 c N -0.632 117.865 118.600 -0.172 0.000 2.422 282 c HA -0.204 4.366 4.570 -0.001 0.000 0.279 282 c C 3.003 177.062 174.090 -0.052 0.000 1.305 282 c CA 0.831 57.117 56.329 -0.072 0.000 1.757 282 c CB -1.468 40.909 42.510 -0.222 0.000 1.962 282 c HN 0.770 nan 8.230 nan 0.000 0.499 283 c N 0.847 119.320 118.600 -0.211 0.000 2.410 283 c HA -0.163 4.407 4.570 -0.001 0.000 0.281 283 c C 2.637 176.616 174.090 -0.185 0.000 1.318 283 c CA 1.290 57.539 56.329 -0.133 0.000 1.776 283 c CB -1.469 41.023 42.510 -0.029 0.000 1.942 283 c HN 0.641 nan 8.230 nan 0.000 0.508 284 Q N -1.367 118.276 119.800 -0.261 0.000 2.500 284 Q HA -0.050 4.289 4.340 -0.001 0.000 0.213 284 Q C 0.737 176.072 176.000 -1.108 0.000 0.974 284 Q CA 1.109 56.567 55.803 -0.575 0.000 0.918 284 Q CB -0.053 28.330 28.738 -0.591 0.000 0.980 284 Q HN 0.758 nan 8.270 nan 0.000 0.505 285 F N -0.303 119.350 119.950 -0.495 0.000 2.668 285 F HA 0.171 4.697 4.527 -0.001 0.000 0.301 285 F C 0.209 175.743 175.800 -0.444 0.000 1.106 285 F CA -0.595 57.013 58.000 -0.654 0.000 1.289 285 F CB 0.755 39.619 39.000 -0.228 0.000 1.006 285 F HN -0.154 nan 8.300 nan 0.000 0.535 286 D N 0.142 120.340 120.400 -0.337 0.000 2.467 286 D HA 0.131 4.770 4.640 -0.001 0.000 0.220 286 D C 0.497 176.630 176.300 -0.279 0.000 1.103 286 D CA -0.319 53.587 54.000 -0.157 0.000 0.886 286 D CB 0.126 40.885 40.800 -0.068 0.000 1.025 286 D HN 0.085 nan 8.370 nan 0.000 0.514 287 F N 1.785 121.751 119.950 0.027 0.000 2.802 287 F HA 0.098 4.624 4.527 -0.001 0.000 0.300 287 F C 2.309 178.085 175.800 -0.040 0.000 1.168 287 F CA 0.302 58.296 58.000 -0.010 0.000 1.433 287 F CB 0.058 39.069 39.000 0.019 0.000 1.115 287 F HN 0.256 nan 8.300 nan 0.000 0.582 288 K N 0.604 120.978 120.400 -0.043 0.000 2.487 288 K HA 0.056 4.376 4.320 -0.001 0.000 0.192 288 K C 1.112 177.730 176.600 0.030 0.000 1.027 288 K CA 0.247 56.412 56.287 -0.203 0.000 1.054 288 K CB 0.110 32.322 32.500 -0.481 0.000 0.824 288 K HN 0.176 nan 8.250 nan 0.000 0.510 289 R N 0.062 120.577 120.500 0.025 0.000 2.586 289 R HA 0.205 4.545 4.340 -0.001 0.000 0.306 289 R C 0.822 177.154 176.300 0.053 0.000 1.079 289 R CA -0.139 55.986 56.100 0.041 0.000 1.083 289 R CB 0.278 30.574 30.300 -0.007 0.000 1.306 289 R HN 0.196 nan 8.270 nan 0.000 0.567 290 M N -1.253 118.413 119.600 0.110 0.000 2.441 290 M HA 0.194 4.674 4.480 -0.001 0.000 0.244 290 M C 1.100 177.436 176.300 0.061 0.000 1.122 290 M CA 0.644 55.989 55.300 0.075 0.000 1.041 290 M CB 1.066 33.725 32.600 0.098 0.000 1.438 290 M HN 0.470 nan 8.290 nan 0.000 0.484 291 G N 0.171 109.021 108.800 0.083 0.000 3.288 291 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.195 291 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.195 291 G C 0.954 175.844 174.900 -0.018 0.000 1.093 291 G CA 0.244 45.361 45.100 0.029 0.000 0.852 291 G HN 0.411 nan 8.290 nan 0.000 0.453 292 S N 0.217 115.854 115.700 -0.106 0.000 2.555 292 S HA 0.280 4.750 4.470 -0.001 0.000 0.230 292 S C 1.526 175.865 174.600 -0.435 0.000 0.978 292 S CA 1.231 59.251 58.200 -0.300 0.000 0.934 292 S CB -0.413 62.515 63.200 -0.454 0.000 0.766 292 S HN 0.349 nan 8.310 nan 0.000 0.533 293 F N 1.517 121.463 119.950 -0.006 0.000 2.664 293 F HA 0.493 5.020 4.527 -0.001 0.000 0.303 293 F C 1.992 177.789 175.800 -0.004 0.000 1.092 293 F CA -0.067 57.929 58.000 -0.008 0.000 1.305 293 F CB 0.256 39.248 39.000 -0.013 0.000 1.054 293 F HN 0.368 nan 8.300 nan 0.000 0.565 294 G N 0.516 109.380 108.800 0.107 0.000 2.579 294 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.222 294 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.222 294 G C 0.429 175.374 174.900 0.075 0.000 1.201 294 G CA -0.050 45.092 45.100 0.071 0.000 0.710 294 G HN 0.170 nan 8.290 nan 0.000 0.516 295 L N 1.858 123.147 121.223 0.111 0.000 2.473 295 L HA 0.551 4.890 4.340 -0.001 0.000 0.268 295 L C 1.054 177.962 176.870 0.064 0.000 1.215 295 L CA 0.488 55.377 54.840 0.081 0.000 0.823 295 L CB 1.074 43.180 42.059 0.079 0.000 1.099 295 L HN 0.757 nan 8.230 nan 0.000 0.483 296 S N -0.395 115.331 115.700 0.043 0.000 2.688 296 S HA 0.479 4.949 4.470 -0.001 0.000 0.275 296 S C -1.177 173.444 174.600 0.034 0.000 1.175 296 S CA -0.963 57.254 58.200 0.028 0.000 0.818 296 S CB 1.454 64.659 63.200 0.009 0.000 1.157 296 S HN 0.529 nan 8.310 nan 0.000 0.482 297 c N 2.916 121.539 118.600 0.038 0.000 2.255 297 c HA 0.559 5.129 4.570 -0.001 0.000 0.326 297 c C -1.154 172.944 174.090 0.014 0.000 1.258 297 c CA -1.155 55.237 56.329 0.105 0.000 1.676 297 c CB 0.747 43.340 42.510 0.138 0.000 2.314 297 c HN 0.763 nan 8.230 nan 0.000 0.509 298 P HA -0.084 nan 4.420 nan 0.000 0.225 298 P C 1.047 178.072 177.300 -0.459 0.000 1.148 298 P CA 1.303 64.134 63.100 -0.449 0.000 0.779 298 P CB 0.074 31.281 31.700 -0.821 0.000 0.780 299 W N 0.203 121.477 121.300 -0.043 0.000 3.353 299 W HA 0.212 4.872 4.660 -0.001 0.000 0.304 299 W C 0.644 177.134 176.519 -0.049 0.000 1.273 299 W CA -0.017 57.298 57.345 -0.050 0.000 1.773 299 W CB -0.277 29.144 29.460 -0.065 0.000 1.095 299 W HN 0.129 nan 8.180 nan 0.000 0.676 300 K N -1.300 119.160 120.400 0.101 0.000 3.533 300 K HA -0.160 4.160 4.320 -0.001 0.000 0.289 300 K C -0.287 176.333 176.600 0.033 0.000 1.317 300 K CA 0.534 56.844 56.287 0.038 0.000 0.967 300 K CB -1.902 30.610 32.500 0.019 0.000 1.323 300 K HN -0.113 nan 8.250 nan 0.000 0.477 301 V N 2.700 122.644 119.914 0.050 0.000 2.350 301 V HA 0.315 4.435 4.120 -0.001 0.000 0.285 301 V C -1.871 174.204 176.094 -0.031 0.000 1.014 301 V CA -1.504 60.796 62.300 -0.001 0.000 0.831 301 V CB 1.391 33.205 31.823 -0.015 0.000 1.000 301 V HN -0.023 nan 8.190 nan 0.000 0.433 302 P HA 0.393 nan 4.420 nan 0.000 0.276 302 P C -2.830 174.381 177.300 -0.147 0.000 1.244 302 P CA -2.013 61.045 63.100 -0.070 0.000 0.801 302 P CB 0.486 32.159 31.700 -0.045 0.000 1.006 303 P HA 0.234 nan 4.420 nan 0.000 0.269 303 P C -0.318 176.891 177.300 -0.152 0.000 1.215 303 P CA 0.202 63.105 63.100 -0.328 0.000 0.780 303 P CB 0.527 31.954 31.700 -0.454 0.000 0.898 304 R N 0.405 120.826 120.500 -0.130 0.000 2.670 304 R HA 0.435 4.775 4.340 -0.001 0.000 0.289 304 R C -0.192 176.174 176.300 0.109 0.000 0.965 304 R CA -0.702 55.390 56.100 -0.013 0.000 0.899 304 R CB 1.103 31.371 30.300 -0.054 0.000 1.173 304 R HN 0.342 nan 8.270 nan 0.000 0.456 305 T N 3.673 118.280 114.554 0.088 0.000 2.933 305 T HA 0.013 4.363 4.350 -0.001 0.000 0.306 305 T C 0.734 175.425 174.700 -0.016 0.000 1.045 305 T CA 0.139 62.260 62.100 0.035 0.000 1.143 305 T CB 0.143 69.009 68.868 -0.003 0.000 1.003 305 T HN 0.199 nan 8.240 nan 0.000 0.540 306 I N 4.181 124.696 120.570 -0.093 0.000 2.471 306 I HA 0.200 4.370 4.170 -0.001 0.000 0.286 306 I C 1.048 177.115 176.117 -0.084 0.000 1.079 306 I CA 0.143 61.385 61.300 -0.097 0.000 1.398 306 I CB -0.182 37.719 38.000 -0.164 0.000 1.403 306 I HN 0.776 nan 8.210 nan 0.000 0.530 307 S N 4.280 119.943 115.700 -0.061 0.000 2.740 307 S HA 0.445 4.914 4.470 -0.001 0.000 0.300 307 S C 0.519 175.091 174.600 -0.047 0.000 1.147 307 S CA -0.787 57.385 58.200 -0.046 0.000 0.871 307 S CB 2.130 65.310 63.200 -0.034 0.000 1.173 307 S HN 0.528 nan 8.310 nan 0.000 0.510 308 D N 0.570 120.952 120.400 -0.029 0.000 2.182 308 D HA -0.095 4.544 4.640 -0.001 0.000 0.201 308 D C 1.543 177.824 176.300 -0.032 0.000 0.986 308 D CA 1.429 55.415 54.000 -0.024 0.000 0.847 308 D CB -0.212 40.587 40.800 -0.002 0.000 0.942 308 D HN 0.494 nan 8.370 nan 0.000 0.467 309 Q N 0.389 120.172 119.800 -0.028 0.000 2.297 309 Q HA -0.066 4.273 4.340 -0.001 0.000 0.204 309 Q C 1.272 177.250 176.000 -0.036 0.000 0.962 309 Q CA 0.925 56.713 55.803 -0.025 0.000 0.879 309 Q CB -0.104 28.623 28.738 -0.019 0.000 0.947 309 Q HN 0.397 nan 8.270 nan 0.000 0.462 310 N N -2.002 116.668 118.700 -0.050 0.000 2.159 310 N HA -0.004 4.735 4.740 -0.001 0.000 0.217 310 N C 1.021 176.481 175.510 -0.083 0.000 1.223 310 N CA 0.163 53.180 53.050 -0.054 0.000 0.896 310 N CB -0.319 38.142 38.487 -0.043 0.000 1.064 310 N HN 0.036 nan 8.380 nan 0.000 0.518 311 V N 0.663 120.497 119.914 -0.134 0.000 2.392 311 V HA -0.128 3.992 4.120 -0.001 0.000 0.249 311 V C 2.246 178.133 176.094 -0.344 0.000 1.059 311 V CA 2.215 64.381 62.300 -0.223 0.000 1.051 311 V CB -0.856 30.817 31.823 -0.250 0.000 0.658 311 V HN 0.442 nan 8.190 nan 0.000 0.455 312 A N -0.212 122.402 122.820 -0.344 0.000 1.873 312 A HA -0.030 4.289 4.320 -0.001 0.000 0.215 312 A C 2.448 180.053 177.584 0.035 0.000 1.186 312 A CA 2.139 54.066 52.037 -0.183 0.000 0.616 312 A CB -1.088 17.908 19.000 -0.007 0.000 0.823 312 A HN 0.814 nan 8.150 nan 0.000 0.442 313 A N -0.375 122.452 122.820 0.012 0.000 1.877 313 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 313 A C 2.250 179.868 177.584 0.057 0.000 1.186 313 A CA 1.512 53.575 52.037 0.043 0.000 0.620 313 A CB -0.473 18.537 19.000 0.016 0.000 0.822 313 A HN 0.423 nan 8.150 nan 0.000 0.443 314 R N 0.047 120.571 120.500 0.039 0.000 2.073 314 R HA -0.069 4.271 4.340 -0.001 0.000 0.234 314 R C 2.465 178.818 176.300 0.088 0.000 1.134 314 R CA 1.590 57.767 56.100 0.128 0.000 0.952 314 R CB -1.128 29.240 30.300 0.114 0.000 0.850 314 R HN 0.539 nan 8.270 nan 0.000 0.433 315 S N 1.383 117.078 115.700 -0.008 0.000 2.370 315 S HA -0.141 4.328 4.470 -0.001 0.000 0.226 315 S C 1.412 175.891 174.600 -0.202 0.000 1.033 315 S CA 1.432 59.550 58.200 -0.136 0.000 1.011 315 S CB -0.260 63.005 63.200 0.109 0.000 0.852 315 S HN 0.267 nan 8.310 nan 0.000 0.457 316 D N 1.395 121.860 120.400 0.107 0.000 2.116 316 D HA -0.080 4.560 4.640 -0.001 0.000 0.193 316 D C 1.926 178.215 176.300 -0.019 0.000 0.998 316 D CA 0.869 54.976 54.000 0.179 0.000 0.836 316 D CB -0.417 40.508 40.800 0.207 0.000 0.951 316 D HN 0.275 nan 8.370 nan 0.000 0.449 317 L N -0.057 121.141 121.223 -0.041 0.000 2.017 317 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 317 L C 2.413 179.099 176.870 -0.307 0.000 1.073 317 L CA 0.637 55.435 54.840 -0.070 0.000 0.745 317 L CB -0.198 41.908 42.059 0.078 0.000 0.894 317 L HN 0.101 nan 8.230 nan 0.000 0.432 318 L N -1.010 119.854 121.223 -0.599 0.000 2.072 318 L HA -0.106 4.233 4.340 -0.001 0.000 0.205 318 L C 2.280 178.449 176.870 -1.168 0.000 1.079 318 L CA 1.475 55.613 54.840 -1.171 0.000 0.752 318 L CB -0.278 40.793 42.059 -1.646 0.000 0.906 318 L HN -0.086 nan 8.230 nan 0.000 0.436 319 V N -0.017 119.343 119.914 -0.924 0.000 2.407 319 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 319 V C 2.305 178.209 176.094 -0.316 0.000 1.055 319 V CA 1.885 63.785 62.300 -0.668 0.000 1.049 319 V CB -0.782 30.586 31.823 -0.758 0.000 0.662 319 V HN 0.578 nan 8.190 nan 0.000 0.455 320 D N -0.619 119.663 120.400 -0.197 0.000 2.104 320 D HA -0.224 4.416 4.640 -0.001 0.000 0.194 320 D C 2.224 178.494 176.300 -0.051 0.000 0.994 320 D CA 1.316 55.318 54.000 0.004 0.000 0.830 320 D CB -0.028 40.832 40.800 0.099 0.000 0.959 320 D HN 0.289 nan 8.370 nan 0.000 0.452 321 Q N -0.524 119.176 119.800 -0.167 0.000 2.061 321 Q HA -0.147 4.192 4.340 -0.001 0.000 0.204 321 Q C 2.167 178.178 176.000 0.018 0.000 0.984 321 Q CA 1.036 56.763 55.803 -0.127 0.000 0.846 321 Q CB -0.631 27.961 28.738 -0.244 0.000 0.902 321 Q HN 0.567 nan 8.270 nan 0.000 0.421 322 W N 1.373 122.558 121.300 -0.191 0.000 2.358 322 W HA -0.069 4.591 4.660 -0.001 0.000 0.303 322 W C 2.053 178.461 176.519 -0.185 0.000 1.208 322 W CA 0.673 57.910 57.345 -0.178 0.000 1.274 322 W CB -0.589 28.736 29.460 -0.225 0.000 1.138 322 W HN 0.213 nan 8.180 nan 0.000 0.515 323 K N 0.196 120.557 120.400 -0.066 0.000 2.211 323 K HA -0.122 4.198 4.320 -0.001 0.000 0.203 323 K C 1.921 178.380 176.600 -0.234 0.000 1.050 323 K CA 1.068 57.170 56.287 -0.308 0.000 0.945 323 K CB -0.153 31.834 32.500 -0.854 0.000 0.732 323 K HN 0.093 nan 8.250 nan 0.000 0.451 324 K N 1.056 121.408 120.400 -0.080 0.000 2.001 324 K HA -0.154 4.166 4.320 -0.001 0.000 0.208 324 K C 2.130 178.803 176.600 0.123 0.000 1.048 324 K CA 1.241 57.604 56.287 0.126 0.000 0.932 324 K CB -0.039 32.544 32.500 0.138 0.000 0.715 324 K HN 0.005 nan 8.250 nan 0.000 0.437 325 K N 0.838 121.316 120.400 0.129 0.000 2.063 325 K HA -0.150 4.170 4.320 -0.001 0.000 0.208 325 K C 2.061 178.791 176.600 0.216 0.000 1.048 325 K CA 1.346 57.742 56.287 0.183 0.000 0.928 325 K CB -0.121 32.507 32.500 0.212 0.000 0.713 325 K HN 0.154 nan 8.250 nan 0.000 0.442 326 A N 1.254 124.181 122.820 0.179 0.000 2.019 326 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 326 A C 1.716 179.471 177.584 0.285 0.000 1.164 326 A CA 1.377 53.556 52.037 0.236 0.000 0.644 326 A CB -0.357 18.745 19.000 0.170 0.000 0.805 326 A HN 0.329 nan 8.150 nan 0.000 0.449 327 E N 0.032 120.374 120.200 0.235 0.000 2.267 327 E HA -0.130 4.219 4.350 -0.001 0.000 0.197 327 E C 1.595 178.315 176.600 0.199 0.000 0.998 327 E CA 0.791 57.334 56.400 0.239 0.000 0.830 327 E CB -0.262 29.603 29.700 0.274 0.000 0.751 327 E HN 0.730 nan 8.360 nan 0.000 0.491 328 L N -0.698 120.599 121.223 0.123 0.000 2.558 328 L HA 0.060 4.399 4.340 -0.001 0.000 0.225 328 L C 0.229 176.891 176.870 -0.347 0.000 1.128 328 L CA 0.155 54.931 54.840 -0.107 0.000 0.868 328 L CB -0.034 41.832 42.059 -0.321 0.000 1.006 328 L HN -0.010 nan 8.230 nan 0.000 0.454 329 Y N -1.430 118.950 120.300 0.133 0.000 2.598 329 Y HA 0.376 4.926 4.550 -0.001 0.000 0.340 329 Y C 1.165 177.178 175.900 0.188 0.000 1.038 329 Y CA -0.945 57.252 58.100 0.163 0.000 1.100 329 Y CB 1.218 39.782 38.460 0.172 0.000 1.281 329 Y HN -0.262 nan 8.280 nan 0.000 0.488 330 R N -0.521 120.212 120.500 0.389 0.000 2.254 330 R HA 0.084 4.423 4.340 -0.001 0.000 0.195 330 R C 0.345 176.773 176.300 0.212 0.000 0.957 330 R CA 0.731 56.971 56.100 0.233 0.000 1.024 330 R CB 0.232 30.604 30.300 0.120 0.000 0.952 330 R HN 0.755 nan 8.270 nan 0.000 0.484 331 T N -0.908 113.818 114.554 0.286 0.000 2.922 331 T HA 0.106 4.456 4.350 -0.001 0.000 0.281 331 T C 0.622 175.467 174.700 0.242 0.000 1.005 331 T CA -0.954 61.280 62.100 0.223 0.000 0.982 331 T CB 1.216 70.196 68.868 0.186 0.000 1.158 331 T HN 0.076 nan 8.240 nan 0.000 0.566 332 N N 0.137 118.952 118.700 0.191 0.000 2.346 332 N HA 0.140 4.880 4.740 -0.001 0.000 0.225 332 N C -0.694 174.798 175.510 -0.029 0.000 1.144 332 N CA -0.349 52.776 53.050 0.125 0.000 0.837 332 N CB -0.151 38.326 38.487 -0.016 0.000 1.069 332 N HN 0.377 nan 8.380 nan 0.000 0.487 333 V N 1.193 121.127 119.914 0.033 0.000 2.487 333 V HA 0.435 4.554 4.120 -0.001 0.000 0.298 333 V C -0.665 175.514 176.094 0.141 0.000 1.028 333 V CA -0.976 61.343 62.300 0.032 0.000 0.860 333 V CB 1.645 33.474 31.823 0.010 0.000 0.991 333 V HN 0.173 nan 8.190 nan 0.000 0.427 334 L N 5.631 126.875 121.223 0.035 0.000 2.362 334 L HA 0.702 5.041 4.340 -0.001 0.000 0.275 334 L C -0.933 175.787 176.870 -0.250 0.000 0.998 334 L CA -0.492 54.281 54.840 -0.112 0.000 0.820 334 L CB 1.702 43.595 42.059 -0.277 0.000 1.270 334 L HN 0.637 nan 8.230 nan 0.000 0.415 335 L N 6.317 127.190 121.223 -0.583 0.000 2.264 335 L HA 0.572 4.911 4.340 -0.001 0.000 0.289 335 L C -1.049 175.527 176.870 -0.490 0.000 1.044 335 L CA 0.075 54.425 54.840 -0.818 0.000 0.807 335 L CB 0.860 41.957 42.059 -1.602 0.000 1.192 335 L HN 0.434 nan 8.230 nan 0.000 0.425 336 I N 7.425 127.783 120.570 -0.354 0.000 2.502 336 I HA 0.346 4.515 4.170 -0.001 0.000 0.276 336 I C -2.270 173.818 176.117 -0.049 0.000 1.057 336 I CA -2.022 59.165 61.300 -0.188 0.000 1.163 336 I CB 0.980 38.840 38.000 -0.232 0.000 1.288 336 I HN 0.420 nan 8.210 nan 0.000 0.479 337 P HA 0.163 nan 4.420 nan 0.000 0.269 337 P C -0.435 177.035 177.300 0.283 0.000 1.209 337 P CA -0.258 62.962 63.100 0.200 0.000 0.776 337 P CB 0.883 32.747 31.700 0.274 0.000 0.876 338 L N 2.629 124.066 121.223 0.357 0.000 2.462 338 L HA 0.745 5.084 4.340 -0.001 0.000 0.255 338 L C -0.100 176.839 176.870 0.115 0.000 1.076 338 L CA 0.401 55.373 54.840 0.219 0.000 0.920 338 L CB 0.450 42.568 42.059 0.099 0.000 1.214 338 L HN 0.623 nan 8.230 nan 0.000 0.472 339 G N 1.537 110.283 108.800 -0.089 0.000 2.340 339 G HA2 0.483 4.442 3.960 -0.001 0.000 0.299 339 G HA3 0.483 4.442 3.960 -0.001 0.000 0.299 339 G C -2.160 172.621 174.900 -0.199 0.000 1.291 339 G CA -0.163 44.664 45.100 -0.455 0.000 0.841 339 G HN 0.376 nan 8.290 nan 0.000 0.500 340 D N -1.866 118.473 120.400 -0.101 0.000 2.893 340 D HA 0.284 4.924 4.640 -0.001 0.000 0.346 340 D C -1.594 174.845 176.300 0.231 0.000 1.402 340 D CA -0.454 53.681 54.000 0.225 0.000 0.815 340 D CB 1.242 42.124 40.800 0.138 0.000 1.403 340 D HN 0.219 nan 8.370 nan 0.000 0.484 341 D N 0.461 121.063 120.400 0.336 0.000 2.417 341 D HA 0.225 4.865 4.640 -0.001 0.000 0.250 341 D C 0.217 176.684 176.300 0.279 0.000 1.166 341 D CA 0.473 54.656 54.000 0.305 0.000 0.881 341 D CB -0.296 40.790 40.800 0.476 0.000 1.164 341 D HN 0.340 nan 8.370 nan 0.000 0.467 342 F N 0.336 120.347 119.950 0.101 0.000 3.079 342 F HA -0.309 4.217 4.527 -0.001 0.000 0.274 342 F C 1.070 176.903 175.800 0.055 0.000 0.940 342 F CA 0.597 58.634 58.000 0.062 0.000 0.932 342 F CB -0.956 38.071 39.000 0.045 0.000 0.891 342 F HN 0.231 nan 8.300 nan 0.000 0.722 343 R N -0.469 120.110 120.500 0.131 0.000 2.652 343 R HA 0.442 4.782 4.340 -0.001 0.000 0.271 343 R C 0.776 177.098 176.300 0.037 0.000 1.129 343 R CA -0.674 55.384 56.100 -0.071 0.000 1.200 343 R CB -0.115 30.031 30.300 -0.257 0.000 1.146 343 R HN 0.199 nan 8.270 nan 0.000 0.581 344 F N -0.853 118.906 119.950 -0.318 0.000 3.080 344 F HA -0.277 4.249 4.527 -0.001 0.000 0.292 344 F C 1.394 177.138 175.800 -0.093 0.000 0.891 344 F CA 1.103 58.709 58.000 -0.656 0.000 1.086 344 F CB -1.153 37.156 39.000 -1.151 0.000 1.095 344 F HN 0.613 nan 8.300 nan 0.000 0.633 345 K N -0.197 120.251 120.400 0.081 0.000 2.078 345 K HA 0.017 4.337 4.320 -0.001 0.000 0.203 345 K C 0.681 177.419 176.600 0.231 0.000 1.043 345 K CA 0.908 57.318 56.287 0.205 0.000 0.960 345 K CB 0.204 32.798 32.500 0.157 0.000 0.761 345 K HN 0.304 nan 8.250 nan 0.000 0.448 346 Q N 0.662 120.562 119.800 0.166 0.000 2.259 346 Q HA 0.162 4.502 4.340 -0.001 0.000 0.249 346 Q C 0.142 176.318 176.000 0.294 0.000 0.914 346 Q CA -0.061 55.872 55.803 0.216 0.000 0.904 346 Q CB 1.470 30.378 28.738 0.283 0.000 1.213 346 Q HN 0.223 nan 8.270 nan 0.000 0.428 347 N N -0.088 118.780 118.700 0.281 0.000 2.149 347 N HA -0.213 4.527 4.740 -0.001 0.000 0.188 347 N C 1.278 176.946 175.510 0.264 0.000 1.019 347 N CA 1.782 55.026 53.050 0.323 0.000 0.857 347 N CB 0.015 38.698 38.487 0.327 0.000 0.997 347 N HN 0.762 nan 8.380 nan 0.000 0.426 348 T N -1.489 113.222 114.554 0.261 0.000 2.915 348 T HA -0.146 4.203 4.350 -0.001 0.000 0.269 348 T C 1.625 176.496 174.700 0.285 0.000 1.071 348 T CA 1.037 63.304 62.100 0.279 0.000 1.132 348 T CB -0.174 68.868 68.868 0.290 0.000 0.878 348 T HN 0.322 nan 8.240 nan 0.000 0.479 349 E N -0.208 120.089 120.200 0.162 0.000 2.072 349 E HA -0.099 4.251 4.350 -0.001 0.000 0.190 349 E C 1.790 178.295 176.600 -0.158 0.000 0.982 349 E CA 0.685 56.959 56.400 -0.210 0.000 0.803 349 E CB -0.260 29.116 29.700 -0.540 0.000 0.755 349 E HN 0.702 nan 8.360 nan 0.000 0.453 350 W N 1.813 123.005 121.300 -0.181 0.000 2.335 350 W HA -0.193 4.467 4.660 -0.001 0.000 0.311 350 W C 2.107 178.561 176.519 -0.108 0.000 1.213 350 W CA 1.340 58.558 57.345 -0.212 0.000 1.274 350 W CB -0.240 28.694 29.460 -0.878 0.000 1.148 350 W HN 0.189 nan 8.180 nan 0.000 0.498 351 D N -0.650 119.854 120.400 0.174 0.000 2.097 351 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 351 D C 2.296 178.671 176.300 0.124 0.000 0.984 351 D CA 1.382 55.493 54.000 0.184 0.000 0.826 351 D CB -1.001 39.915 40.800 0.193 0.000 0.973 351 D HN 0.021 nan 8.370 nan 0.000 0.460 352 V N 0.956 120.935 119.914 0.107 0.000 2.427 352 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 352 V C 2.205 178.320 176.094 0.035 0.000 1.051 352 V CA 1.577 63.920 62.300 0.071 0.000 1.048 352 V CB -0.063 31.853 31.823 0.155 0.000 0.666 352 V HN 0.139 nan 8.190 nan 0.000 0.456 353 Q N -0.304 119.560 119.800 0.107 0.000 2.020 353 Q HA -0.181 4.158 4.340 -0.001 0.000 0.198 353 Q C 2.357 178.538 176.000 0.302 0.000 0.974 353 Q CA 1.914 57.872 55.803 0.259 0.000 0.829 353 Q CB -0.493 28.357 28.738 0.187 0.000 0.894 353 Q HN 0.612 nan 8.270 nan 0.000 0.433 354 R N 0.448 121.089 120.500 0.235 0.000 2.070 354 R HA -0.112 4.228 4.340 -0.001 0.000 0.233 354 R C 2.258 178.696 176.300 0.229 0.000 1.137 354 R CA 1.452 57.722 56.100 0.285 0.000 0.945 354 R CB -0.116 30.312 30.300 0.213 0.000 0.845 354 R HN 0.066 nan 8.270 nan 0.000 0.430 355 V N 2.018 121.992 119.914 0.100 0.000 2.343 355 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 355 V C 2.034 178.055 176.094 -0.122 0.000 1.051 355 V CA 1.923 64.232 62.300 0.015 0.000 1.036 355 V CB -0.634 31.191 31.823 0.003 0.000 0.654 355 V HN 0.444 nan 8.190 nan 0.000 0.451 356 N N -0.757 117.758 118.700 -0.308 0.000 2.120 356 N HA -0.172 4.567 4.740 -0.001 0.000 0.188 356 N C 1.845 177.031 175.510 -0.540 0.000 1.024 356 N CA 1.653 54.306 53.050 -0.662 0.000 0.852 356 N CB -0.310 37.154 38.487 -1.706 0.000 1.003 356 N HN 0.534 nan 8.380 nan 0.000 0.424 357 Y N 1.923 122.022 120.300 -0.335 0.000 2.242 357 Y HA -0.056 4.494 4.550 -0.001 0.000 0.291 357 Y C 2.351 177.714 175.900 -0.895 0.000 1.137 357 Y CA 0.975 58.758 58.100 -0.529 0.000 1.181 357 Y CB -0.042 38.179 38.460 -0.399 0.000 0.989 357 Y HN 0.124 nan 8.280 nan 0.000 0.527 358 E N -0.194 119.827 120.200 -0.298 0.000 2.110 358 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 358 E C 2.207 178.750 176.600 -0.095 0.000 0.988 358 E CA 1.067 57.379 56.400 -0.147 0.000 0.804 358 E CB -0.162 29.595 29.700 0.093 0.000 0.745 358 E HN 0.464 nan 8.360 nan 0.000 0.458 359 R N 0.426 120.852 120.500 -0.123 0.000 2.081 359 R HA -0.111 4.229 4.340 -0.001 0.000 0.235 359 R C 2.483 178.761 176.300 -0.037 0.000 1.131 359 R CA 0.952 57.012 56.100 -0.066 0.000 0.960 359 R CB -0.305 29.934 30.300 -0.100 0.000 0.856 359 R HN 0.158 nan 8.270 nan 0.000 0.436 360 L N -0.427 120.714 121.223 -0.137 0.000 2.017 360 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 360 L C 2.177 179.132 176.870 0.142 0.000 1.073 360 L CA 1.180 55.988 54.840 -0.053 0.000 0.745 360 L CB -0.447 41.498 42.059 -0.190 0.000 0.894 360 L HN 0.081 nan 8.230 nan 0.000 0.432 361 F N 0.298 120.269 119.950 0.035 0.000 2.134 361 F HA -0.211 4.315 4.527 -0.001 0.000 0.299 361 F C 2.649 178.465 175.800 0.027 0.000 1.097 361 F CA 1.342 59.353 58.000 0.019 0.000 1.264 361 F CB -0.982 37.990 39.000 -0.047 0.000 1.001 361 F HN 0.215 nan 8.300 nan 0.000 0.479 362 E N -0.688 119.653 120.200 0.235 0.000 2.058 362 E HA -0.298 4.051 4.350 -0.001 0.000 0.194 362 E C 2.215 178.905 176.600 0.151 0.000 0.997 362 E CA 1.585 58.079 56.400 0.156 0.000 0.801 362 E CB -0.264 29.509 29.700 0.123 0.000 0.746 362 E HN 0.509 nan 8.360 nan 0.000 0.450 363 H N 0.153 119.279 119.070 0.092 0.000 2.299 363 H HA -0.047 4.508 4.556 -0.001 0.000 0.302 363 H C 2.063 177.482 175.328 0.150 0.000 1.078 363 H CA 2.161 58.273 56.048 0.106 0.000 1.323 363 H CB -0.152 29.671 29.762 0.101 0.000 1.381 363 H HN 0.159 nan 8.280 nan 0.000 0.498 364 I N 0.411 121.097 120.570 0.193 0.000 2.226 364 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 364 I C 1.612 177.785 176.117 0.092 0.000 1.100 364 I CA 1.327 62.712 61.300 0.142 0.000 1.374 364 I CB -0.261 37.754 38.000 0.025 0.000 1.057 364 I HN 0.374 nan 8.210 nan 0.000 0.413 365 N N 0.226 118.957 118.700 0.051 0.000 2.396 365 N HA -0.094 4.645 4.740 -0.001 0.000 0.180 365 N C 1.796 177.292 175.510 -0.023 0.000 1.028 365 N CA 1.404 54.452 53.050 -0.004 0.000 0.893 365 N CB -0.189 38.284 38.487 -0.023 0.000 0.967 365 N HN 0.381 nan 8.380 nan 0.000 0.440 366 S N -0.813 114.866 115.700 -0.035 0.000 2.535 366 S HA 0.140 4.609 4.470 -0.001 0.000 0.214 366 S C 0.467 175.003 174.600 -0.107 0.000 0.980 366 S CA -0.211 57.954 58.200 -0.058 0.000 0.907 366 S CB 0.235 63.412 63.200 -0.039 0.000 0.790 366 S HN -0.024 nan 8.310 nan 0.000 0.510 367 Q N 1.432 121.136 119.800 -0.161 0.000 2.456 367 Q HA 0.539 4.879 4.340 -0.001 0.000 0.234 367 Q C 1.004 176.841 176.000 -0.271 0.000 1.061 367 Q CA 0.131 55.767 55.803 -0.279 0.000 0.896 367 Q CB 1.087 29.467 28.738 -0.597 0.000 1.233 367 Q HN 0.428 nan 8.270 nan 0.000 0.506 368 A N 2.785 125.527 122.820 -0.130 0.000 1.986 368 A HA -0.276 4.043 4.320 -0.001 0.000 0.220 368 A C 1.627 179.157 177.584 -0.090 0.000 1.171 368 A CA 2.189 54.180 52.037 -0.078 0.000 0.640 368 A CB -0.774 18.207 19.000 -0.031 0.000 0.811 368 A HN 0.901 nan 8.150 nan 0.000 0.451 369 H N -3.681 115.301 119.070 -0.148 0.000 2.489 369 H HA -0.038 4.518 4.556 -0.001 0.000 0.295 369 H C 1.382 176.645 175.328 -0.107 0.000 1.082 369 H CA 1.456 57.406 56.048 -0.164 0.000 1.295 369 H CB -0.502 29.109 29.762 -0.251 0.000 1.380 369 H HN 0.423 nan 8.280 nan 0.000 0.548 370 F N 0.893 120.622 119.950 -0.368 0.000 2.293 370 F HA 0.039 4.566 4.527 -0.001 0.000 0.297 370 F C 0.769 176.525 175.800 -0.073 0.000 1.089 370 F CA 0.473 58.360 58.000 -0.188 0.000 1.377 370 F CB -0.308 38.546 39.000 -0.244 0.000 1.051 370 F HN 0.160 nan 8.300 nan 0.000 0.511 371 N N 0.657 119.414 118.700 0.095 0.000 2.725 371 N HA -0.168 4.571 4.740 -0.001 0.000 0.251 371 N C -0.989 174.500 175.510 -0.035 0.000 1.031 371 N CA 0.445 53.524 53.050 0.047 0.000 0.720 371 N CB -1.499 37.057 38.487 0.116 0.000 0.930 371 N HN 0.030 nan 8.380 nan 0.000 0.543 372 V N 0.639 120.529 119.914 -0.039 0.000 2.656 372 V HA 0.382 4.501 4.120 -0.001 0.000 0.307 372 V C 0.099 176.105 176.094 -0.145 0.000 1.051 372 V CA -0.666 61.552 62.300 -0.135 0.000 0.893 372 V CB 2.487 34.266 31.823 -0.074 0.000 0.999 372 V HN 0.168 nan 8.190 nan 0.000 0.426 373 Q N 3.229 122.883 119.800 -0.243 0.000 2.339 373 Q HA 0.754 5.093 4.340 -0.001 0.000 0.268 373 Q C -0.760 174.977 176.000 -0.437 0.000 1.027 373 Q CA -0.172 55.465 55.803 -0.276 0.000 0.759 373 Q CB 1.591 30.171 28.738 -0.264 0.000 1.244 373 Q HN 0.981 nan 8.270 nan 0.000 0.464 374 A N 4.383 126.926 122.820 -0.461 0.000 2.337 374 A HA 0.908 5.227 4.320 -0.001 0.000 0.329 374 A C -1.151 175.747 177.584 -1.143 0.000 1.146 374 A CA -0.506 51.076 52.037 -0.758 0.000 0.800 374 A CB 1.158 19.857 19.000 -0.501 0.000 1.220 374 A HN 0.759 nan 8.150 nan 0.000 0.472 375 Q N 1.182 120.231 119.800 -1.252 0.000 2.522 375 Q HA 0.442 4.781 4.340 -0.001 0.000 0.285 375 Q C -1.650 173.954 176.000 -0.660 0.000 0.982 375 Q CA -0.699 54.446 55.803 -1.097 0.000 0.805 375 Q CB 0.490 28.931 28.738 -0.494 0.000 1.457 375 Q HN 0.377 nan 8.270 nan 0.000 0.394 376 F N 0.612 120.527 119.950 -0.059 0.000 2.563 376 F HA 0.597 5.124 4.527 -0.001 0.000 0.363 376 F C 1.263 177.120 175.800 0.095 0.000 1.123 376 F CA 1.467 59.533 58.000 0.110 0.000 1.307 376 F CB 0.793 39.903 39.000 0.183 0.000 1.115 376 F HN 0.741 nan 8.300 nan 0.000 0.592 377 G N 0.324 109.309 108.800 0.308 0.000 2.727 377 G HA2 0.618 4.578 3.960 -0.001 0.000 0.289 377 G HA3 0.618 4.578 3.960 -0.001 0.000 0.289 377 G C -1.099 173.802 174.900 0.001 0.000 1.418 377 G CA -0.650 44.563 45.100 0.189 0.000 0.818 377 G HN 0.715 nan 8.290 nan 0.000 0.486 378 T N -1.859 112.619 114.554 -0.125 0.000 2.938 378 T HA 0.470 4.819 4.350 -0.001 0.000 0.285 378 T C 1.241 175.784 174.700 -0.262 0.000 1.028 378 T CA -0.514 61.472 62.100 -0.189 0.000 1.005 378 T CB 1.574 70.348 68.868 -0.158 0.000 1.157 378 T HN 0.534 nan 8.240 nan 0.000 0.550 379 L N 0.526 121.598 121.223 -0.252 0.000 2.046 379 L HA 0.035 4.375 4.340 -0.001 0.000 0.208 379 L C 2.719 179.551 176.870 -0.063 0.000 1.077 379 L CA 1.939 56.659 54.840 -0.200 0.000 0.747 379 L CB -1.064 40.921 42.059 -0.123 0.000 0.896 379 L HN 0.889 nan 8.230 nan 0.000 0.432 380 Q N -0.111 119.676 119.800 -0.022 0.000 2.167 380 Q HA -0.204 4.136 4.340 -0.001 0.000 0.202 380 Q C 2.046 177.985 176.000 -0.102 0.000 0.970 380 Q CA 1.786 57.614 55.803 0.042 0.000 0.855 380 Q CB -0.141 28.594 28.738 -0.006 0.000 0.911 380 Q HN 0.629 nan 8.270 nan 0.000 0.438 381 E N -1.227 118.816 120.200 -0.263 0.000 2.106 381 E HA -0.204 4.145 4.350 -0.001 0.000 0.192 381 E C 1.585 177.731 176.600 -0.756 0.000 0.984 381 E CA 1.085 57.207 56.400 -0.463 0.000 0.806 381 E CB -0.241 29.110 29.700 -0.582 0.000 0.750 381 E HN 0.492 nan 8.360 nan 0.000 0.458 382 Y N 0.443 120.187 120.300 -0.927 0.000 2.133 382 Y HA -0.237 4.313 4.550 -0.001 0.000 0.287 382 Y C 1.808 177.389 175.900 -0.531 0.000 1.134 382 Y CA 1.515 59.073 58.100 -0.903 0.000 1.133 382 Y CB -0.459 37.516 38.460 -0.809 0.000 0.987 382 Y HN -0.080 nan 8.280 nan 0.000 0.502 383 F N 1.002 120.700 119.950 -0.420 0.000 2.186 383 F HA -0.158 4.368 4.527 -0.001 0.000 0.299 383 F C 2.209 177.772 175.800 -0.396 0.000 1.090 383 F CA 1.716 59.429 58.000 -0.478 0.000 1.307 383 F CB -0.817 38.103 39.000 -0.134 0.000 1.019 383 F HN 0.086 nan 8.300 nan 0.000 0.489 384 D N 0.136 120.491 120.400 -0.074 0.000 2.123 384 D HA -0.186 4.454 4.640 -0.001 0.000 0.196 384 D C 2.351 178.576 176.300 -0.125 0.000 0.992 384 D CA 1.554 55.515 54.000 -0.065 0.000 0.833 384 D CB -0.606 40.144 40.800 -0.084 0.000 0.954 384 D HN 0.242 nan 8.370 nan 0.000 0.455 385 A N 0.376 123.063 122.820 -0.223 0.000 1.930 385 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 385 A C 2.520 179.983 177.584 -0.201 0.000 1.175 385 A CA 1.039 52.992 52.037 -0.140 0.000 0.627 385 A CB -0.629 18.370 19.000 -0.002 0.000 0.815 385 A HN 0.147 nan 8.150 nan 0.000 0.443 386 V N -0.147 119.508 119.914 -0.431 0.000 2.343 386 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 386 V C 2.409 178.323 176.094 -0.299 0.000 1.051 386 V CA 2.067 64.114 62.300 -0.420 0.000 1.036 386 V CB -1.042 30.346 31.823 -0.725 0.000 0.654 386 V HN 0.644 nan 8.190 nan 0.000 0.451 387 H N -0.123 118.832 119.070 -0.191 0.000 2.428 387 H HA -0.069 4.486 4.556 -0.001 0.000 0.296 387 H C 2.420 177.710 175.328 -0.063 0.000 1.062 387 H CA 1.344 57.308 56.048 -0.140 0.000 1.350 387 H CB -0.089 29.554 29.762 -0.198 0.000 1.403 387 H HN 0.556 nan 8.280 nan 0.000 0.533 388 Q N 0.281 120.100 119.800 0.032 0.000 2.084 388 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 388 Q C 2.563 178.579 176.000 0.026 0.000 0.978 388 Q CA 1.313 57.129 55.803 0.021 0.000 0.844 388 Q CB -0.047 28.693 28.738 0.004 0.000 0.898 388 Q HN 0.401 nan 8.270 nan 0.000 0.426 389 A N 1.130 123.961 122.820 0.018 0.000 1.902 389 A HA -0.263 4.057 4.320 -0.001 0.000 0.217 389 A C 1.932 179.541 177.584 0.042 0.000 1.181 389 A CA 1.636 53.695 52.037 0.037 0.000 0.623 389 A CB -0.540 18.486 19.000 0.043 0.000 0.818 389 A HN 0.443 nan 8.150 nan 0.000 0.443 390 E N -0.321 119.920 120.200 0.068 0.000 2.077 390 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 390 E C 2.239 178.873 176.600 0.056 0.000 0.989 390 E CA 0.994 57.439 56.400 0.075 0.000 0.800 390 E CB -0.109 29.744 29.700 0.254 0.000 0.746 390 E HN 0.583 nan 8.360 nan 0.000 0.452 391 R N -0.291 120.245 120.500 0.061 0.000 2.115 391 R HA -0.013 4.327 4.340 -0.001 0.000 0.230 391 R C 2.094 178.408 176.300 0.025 0.000 1.111 391 R CA 0.840 56.963 56.100 0.038 0.000 0.976 391 R CB -0.098 30.220 30.300 0.031 0.000 0.870 391 R HN 0.100 nan 8.270 nan 0.000 0.445 392 A N 0.272 123.107 122.820 0.026 0.000 2.235 392 A HA 0.150 4.469 4.320 -0.001 0.000 0.208 392 A C 1.310 178.903 177.584 0.015 0.000 1.172 392 A CA 0.814 52.864 52.037 0.022 0.000 0.786 392 A CB -0.281 18.737 19.000 0.031 0.000 0.804 392 A HN 0.458 nan 8.150 nan 0.000 0.479 393 G N -0.976 107.829 108.800 0.009 0.000 2.147 393 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.244 393 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.244 393 G C 0.742 175.632 174.900 -0.016 0.000 1.005 393 G CA 0.648 45.745 45.100 -0.005 0.000 0.713 393 G HN 0.610 nan 8.290 nan 0.000 0.515 394 Q N -0.557 119.238 119.800 -0.008 0.000 2.389 394 Q HA 0.509 4.848 4.340 -0.001 0.000 0.204 394 Q C 1.046 177.017 176.000 -0.048 0.000 0.944 394 Q CA 1.421 57.225 55.803 0.000 0.000 0.908 394 Q CB 0.030 28.802 28.738 0.057 0.000 1.002 394 Q HN 1.372 nan 8.270 nan 0.000 0.493 395 A N 0.186 122.931 122.820 -0.125 0.000 2.604 395 A HA 0.510 4.829 4.320 -0.001 0.000 0.295 395 A C -1.678 175.683 177.584 -0.371 0.000 1.067 395 A CA -0.694 51.176 52.037 -0.278 0.000 0.683 395 A CB 1.708 20.448 19.000 -0.433 0.000 1.281 395 A HN 0.204 nan 8.150 nan 0.000 0.407 396 E N 0.587 120.567 120.200 -0.366 0.000 2.238 396 E HA 0.664 5.014 4.350 -0.001 0.000 0.267 396 E C -1.728 174.696 176.600 -0.293 0.000 0.887 396 E CA -0.461 55.789 56.400 -0.250 0.000 0.769 396 E CB 1.232 30.887 29.700 -0.076 0.000 1.187 396 E HN 0.447 nan 8.360 nan 0.000 0.416 397 F N 3.473 123.526 119.950 0.172 0.000 2.450 397 F HA 0.411 4.938 4.527 -0.000 0.000 0.332 397 F C -1.705 174.197 175.800 0.170 0.000 1.093 397 F CA -2.047 56.081 58.000 0.212 0.000 1.003 397 F CB 0.951 40.156 39.000 0.342 0.000 1.151 397 F HN 0.287 nan 8.300 nan 0.000 0.474 398 P HA 0.189 nan 4.420 nan 0.000 0.274 398 P C -0.683 176.760 177.300 0.239 0.000 1.237 398 P CA -0.376 62.859 63.100 0.226 0.000 0.793 398 P CB 0.971 32.770 31.700 0.165 0.000 0.977 399 T N -0.382 114.263 114.554 0.151 0.000 2.907 399 T HA 0.679 5.029 4.350 -0.001 0.000 0.284 399 T C -0.268 174.458 174.700 0.043 0.000 1.004 399 T CA -0.793 61.388 62.100 0.134 0.000 1.063 399 T CB 1.055 69.980 68.868 0.094 0.000 0.992 399 T HN 0.460 nan 8.240 nan 0.000 0.483 400 L N 1.737 122.979 121.223 0.031 0.000 2.434 400 L HA 0.759 5.098 4.340 -0.001 0.000 0.260 400 L C -0.739 176.111 176.870 -0.034 0.000 0.983 400 L CA -0.436 54.310 54.840 -0.155 0.000 0.820 400 L CB 2.222 43.926 42.059 -0.591 0.000 1.361 400 L HN 1.111 nan 8.230 nan 0.000 0.410 401 S N 2.283 117.917 115.700 -0.110 0.000 2.595 401 S HA 1.051 5.521 4.470 -0.001 0.000 0.281 401 S C -0.391 174.127 174.600 -0.137 0.000 1.117 401 S CA -0.017 58.178 58.200 -0.008 0.000 0.873 401 S CB 1.982 65.150 63.200 -0.055 0.000 1.108 401 S HN 1.724 nan 8.310 nan 0.000 0.477 402 G N 1.089 109.866 108.800 -0.038 0.000 2.343 402 G HA2 0.320 4.280 3.960 -0.001 0.000 0.562 402 G HA3 0.320 4.280 3.960 -0.001 0.000 0.562 402 G C -1.781 173.020 174.900 -0.166 0.000 1.269 402 G CA -0.028 44.960 45.100 -0.188 0.000 1.011 402 G HN 1.305 nan 8.290 nan 0.000 0.498 403 D N -1.656 118.529 120.400 -0.359 0.000 2.553 403 D HA 0.746 5.386 4.640 -0.001 0.000 0.249 403 D C -0.677 175.183 176.300 -0.734 0.000 1.062 403 D CA -1.072 52.748 54.000 -0.300 0.000 1.085 403 D CB 1.246 42.054 40.800 0.014 0.000 1.350 403 D HN 0.367 nan 8.370 nan 0.000 0.575 404 F N -0.255 119.602 119.950 -0.156 0.000 2.679 404 F HA 0.397 4.923 4.527 -0.001 0.000 0.354 404 F C -0.937 174.724 175.800 -0.232 0.000 1.423 404 F CA -0.640 57.264 58.000 -0.159 0.000 1.141 404 F CB 0.153 39.082 39.000 -0.118 0.000 1.168 404 F HN 0.008 nan 8.300 nan 0.000 0.530 405 F N -0.724 119.427 119.950 0.334 0.000 2.561 405 F HA 0.570 5.097 4.527 -0.001 0.000 0.321 405 F C 0.534 176.603 175.800 0.449 0.000 1.065 405 F CA -1.334 56.927 58.000 0.435 0.000 0.934 405 F CB 1.735 40.985 39.000 0.416 0.000 1.215 405 F HN -0.277 nan 8.300 nan 0.000 0.471 406 T N 1.757 116.697 114.554 0.644 0.000 2.837 406 T HA 0.192 4.541 4.350 -0.001 0.000 0.285 406 T C -1.062 174.109 174.700 0.784 0.000 0.984 406 T CA -0.223 62.319 62.100 0.737 0.000 1.049 406 T CB 0.287 69.438 68.868 0.471 0.000 0.947 406 T HN 0.380 nan 8.240 nan 0.000 0.472 407 Y N 2.871 123.502 120.300 0.552 0.000 2.411 407 Y HA 0.460 5.010 4.550 -0.001 0.000 0.333 407 Y C -0.182 175.758 175.900 0.066 0.000 1.186 407 Y CA -1.098 57.153 58.100 0.251 0.000 1.381 407 Y CB 0.177 38.667 38.460 0.049 0.000 1.273 407 Y HN 0.675 nan 8.280 nan 0.000 0.546 408 A N 4.993 127.356 122.820 -0.762 0.000 2.393 408 A HA 0.377 4.696 4.320 -0.001 0.000 0.306 408 A C -0.124 176.804 177.584 -1.092 0.000 1.050 408 A CA -0.275 51.139 52.037 -1.039 0.000 0.724 408 A CB 0.741 18.916 19.000 -1.375 0.000 1.248 408 A HN 0.812 nan 8.150 nan 0.000 0.424 409 D N 1.332 121.249 120.400 -0.804 0.000 2.327 409 D HA 0.064 4.704 4.640 -0.001 0.000 0.205 409 D C 0.542 176.823 176.300 -0.031 0.000 0.989 409 D CA 0.534 54.300 54.000 -0.390 0.000 0.873 409 D CB 0.166 40.849 40.800 -0.196 0.000 0.955 409 D HN 0.722 nan 8.370 nan 0.000 0.515 410 R N -2.141 118.293 120.500 -0.111 0.000 2.690 410 R HA 0.434 4.774 4.340 -0.001 0.000 0.269 410 R C -0.131 176.056 176.300 -0.187 0.000 1.037 410 R CA -0.269 55.627 56.100 -0.340 0.000 0.877 410 R CB 0.897 31.083 30.300 -0.190 0.000 1.255 410 R HN -0.108 nan 8.270 nan 0.000 0.467 411 S N 0.182 115.734 115.700 -0.247 0.000 3.711 411 S HA -0.289 4.180 4.470 -0.001 0.000 0.625 411 S C 0.379 175.068 174.600 0.148 0.000 2.458 411 S CA 1.917 60.120 58.200 0.005 0.000 4.059 411 S CB -0.975 62.213 63.200 -0.020 0.000 0.257 411 S HN 1.083 nan 8.310 nan 0.000 0.974 412 D N 1.332 121.813 120.400 0.135 0.000 2.427 412 D HA 0.192 4.832 4.640 -0.001 0.000 0.224 412 D C -0.007 176.417 176.300 0.207 0.000 1.157 412 D CA -0.146 54.005 54.000 0.251 0.000 0.828 412 D CB -1.527 39.401 40.800 0.213 0.000 0.974 412 D HN 0.502 nan 8.370 nan 0.000 0.498 413 N N 0.950 119.669 118.700 0.031 0.000 2.739 413 N HA 0.051 4.790 4.740 -0.001 0.000 0.266 413 N C -0.911 174.619 175.510 0.033 0.000 1.168 413 N CA -0.320 52.750 53.050 0.034 0.000 1.055 413 N CB 0.145 38.642 38.487 0.016 0.000 1.393 413 N HN 0.144 nan 8.380 nan 0.000 0.514 414 Y N 0.215 120.609 120.300 0.158 0.000 2.304 414 Y HA 0.125 4.674 4.550 -0.001 0.000 0.328 414 Y C 0.069 176.177 175.900 0.346 0.000 1.123 414 Y CA -0.644 57.611 58.100 0.259 0.000 1.218 414 Y CB 0.598 39.156 38.460 0.163 0.000 1.207 414 Y HN 0.385 nan 8.280 nan 0.000 0.495 415 W N 2.484 123.915 121.300 0.218 0.000 1.603 415 W HA 0.256 4.916 4.660 -0.001 0.000 0.392 415 W C 0.733 177.279 176.519 0.046 0.000 0.661 415 W CA -0.732 56.769 57.345 0.259 0.000 2.021 415 W CB -0.343 29.390 29.460 0.454 0.000 1.759 415 W HN 0.553 nan 8.180 nan 0.000 0.334 416 S N -1.964 113.750 115.700 0.023 0.000 2.540 416 S HA 0.140 4.610 4.470 -0.001 0.000 0.218 416 S C 1.902 176.210 174.600 -0.486 0.000 0.977 416 S CA 0.304 58.131 58.200 -0.621 0.000 0.918 416 S CB 0.241 63.390 63.200 -0.086 0.000 0.806 416 S HN 0.342 nan 8.310 nan 0.000 0.496 417 G N 1.977 110.700 108.800 -0.128 0.000 2.408 417 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 417 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 417 G C 1.238 176.112 174.900 -0.043 0.000 1.150 417 G CA 0.897 45.945 45.100 -0.086 0.000 0.776 417 G HN 0.804 nan 8.290 nan 0.000 0.542 418 Y N -0.925 119.343 120.300 -0.055 0.000 2.578 418 Y HA 0.232 4.781 4.550 -0.001 0.000 0.297 418 Y C 1.793 177.822 175.900 0.215 0.000 1.176 418 Y CA -0.421 57.727 58.100 0.081 0.000 1.315 418 Y CB -0.251 38.328 38.460 0.198 0.000 1.031 418 Y HN 0.144 nan 8.280 nan 0.000 0.524 419 Y N 0.701 120.773 120.300 -0.381 0.000 2.574 419 Y HA -0.014 4.536 4.550 -0.001 0.000 0.294 419 Y C 1.639 177.494 175.900 -0.075 0.000 1.142 419 Y CA 0.606 58.520 58.100 -0.310 0.000 1.314 419 Y CB -0.601 37.713 38.460 -0.243 0.000 0.991 419 Y HN 0.302 nan 8.280 nan 0.000 0.555 420 T N -2.812 111.817 114.554 0.125 0.000 2.966 420 T HA 0.078 4.428 4.350 -0.001 0.000 0.254 420 T C 0.717 175.510 174.700 0.155 0.000 0.961 420 T CA -0.085 62.088 62.100 0.122 0.000 0.915 420 T CB 0.050 68.959 68.868 0.068 0.000 1.186 420 T HN -0.084 nan 8.240 nan 0.000 0.505 421 S N 2.375 118.164 115.700 0.149 0.000 2.558 421 S HA 0.187 4.656 4.470 -0.001 0.000 0.293 421 S C 0.436 175.174 174.600 0.229 0.000 1.292 421 S CA 0.063 58.359 58.200 0.161 0.000 1.063 421 S CB 0.083 63.365 63.200 0.135 0.000 0.831 421 S HN 0.405 nan 8.310 nan 0.000 0.499 422 R N 1.231 121.882 120.500 0.251 0.000 3.205 422 R HA -0.123 4.216 4.340 -0.001 0.000 0.249 422 R C -2.022 174.537 176.300 0.432 0.000 0.937 422 R CA 0.704 57.028 56.100 0.372 0.000 0.641 422 R CB -1.628 28.904 30.300 0.386 0.000 1.114 422 R HN 0.499 nan 8.270 nan 0.000 0.451 423 P HA -0.216 nan 4.420 nan 0.000 0.223 423 P C 1.074 178.604 177.300 0.383 0.000 1.151 423 P CA 0.951 64.280 63.100 0.383 0.000 0.787 423 P CB -0.010 31.957 31.700 0.445 0.000 0.788 424 Y N 1.433 121.851 120.300 0.196 0.000 2.165 424 Y HA -0.253 4.296 4.550 -0.001 0.000 0.286 424 Y C 2.277 178.195 175.900 0.030 0.000 1.155 424 Y CA 2.058 60.193 58.100 0.058 0.000 1.164 424 Y CB -0.841 37.516 38.460 -0.171 0.000 0.978 424 Y HN 0.069 nan 8.280 nan 0.000 0.513 425 H N -0.923 118.407 119.070 0.434 0.000 2.470 425 H HA 0.021 4.577 4.556 -0.001 0.000 0.289 425 H C 2.040 177.528 175.328 0.268 0.000 1.033 425 H CA 1.174 57.401 56.048 0.299 0.000 1.331 425 H CB -0.061 29.946 29.762 0.408 0.000 1.414 425 H HN 0.234 nan 8.280 nan 0.000 0.545 426 K N 0.457 121.096 120.400 0.397 0.000 2.032 426 K HA -0.192 4.128 4.320 -0.001 0.000 0.209 426 K C 2.270 178.937 176.600 0.113 0.000 1.048 426 K CA 1.460 57.912 56.287 0.275 0.000 0.927 426 K CB 0.005 32.645 32.500 0.232 0.000 0.712 426 K HN 0.029 nan 8.250 nan 0.000 0.441 427 R N 1.417 121.954 120.500 0.062 0.000 2.081 427 R HA -0.032 4.308 4.340 -0.001 0.000 0.235 427 R C 2.087 178.163 176.300 -0.374 0.000 1.131 427 R CA 1.509 57.569 56.100 -0.066 0.000 0.960 427 R CB -0.451 29.891 30.300 0.070 0.000 0.856 427 R HN 0.201 nan 8.270 nan 0.000 0.436 428 M N 0.196 119.454 119.600 -0.570 0.000 2.202 428 M HA -0.194 4.285 4.480 -0.001 0.000 0.262 428 M C 1.420 177.411 176.300 -0.515 0.000 1.063 428 M CA 2.375 57.097 55.300 -0.963 0.000 1.097 428 M CB -0.310 31.879 32.600 -0.686 0.000 1.382 428 M HN 0.269 nan 8.290 nan 0.000 0.413 429 D N -0.109 120.167 120.400 -0.208 0.000 2.116 429 D HA -0.221 4.418 4.640 -0.001 0.000 0.193 429 D C 1.885 178.118 176.300 -0.112 0.000 0.998 429 D CA 1.514 55.493 54.000 -0.034 0.000 0.836 429 D CB 0.095 41.031 40.800 0.226 0.000 0.951 429 D HN 0.223 nan 8.370 nan 0.000 0.449 430 R N 0.015 120.429 120.500 -0.144 0.000 2.115 430 R HA 0.004 4.343 4.340 -0.001 0.000 0.226 430 R C 2.396 178.571 176.300 -0.209 0.000 1.100 430 R CA 0.357 56.363 56.100 -0.156 0.000 0.980 430 R CB -0.845 29.378 30.300 -0.129 0.000 0.875 430 R HN 0.267 nan 8.270 nan 0.000 0.445 431 V N 1.444 121.168 119.914 -0.317 0.000 2.307 431 V HA -0.207 3.912 4.120 -0.001 0.000 0.245 431 V C 2.362 178.377 176.094 -0.132 0.000 1.045 431 V CA 1.419 63.538 62.300 -0.302 0.000 1.024 431 V CB -0.546 30.882 31.823 -0.658 0.000 0.651 431 V HN 0.135 nan 8.190 nan 0.000 0.449 432 L N -0.269 120.837 121.223 -0.195 0.000 2.083 432 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 432 L C 2.340 179.163 176.870 -0.077 0.000 1.083 432 L CA 2.180 56.967 54.840 -0.089 0.000 0.752 432 L CB -0.651 41.323 42.059 -0.140 0.000 0.899 432 L HN 0.344 nan 8.230 nan 0.000 0.433 433 M N -1.404 118.125 119.600 -0.118 0.000 2.082 433 M HA -0.327 4.153 4.480 -0.001 0.000 0.258 433 M C 2.373 178.579 176.300 -0.158 0.000 1.069 433 M CA 2.415 57.627 55.300 -0.147 0.000 1.102 433 M CB -0.423 32.059 32.600 -0.197 0.000 1.336 433 M HN 0.566 nan 8.290 nan 0.000 0.404 434 H N -0.671 118.249 119.070 -0.249 0.000 2.363 434 H HA -0.144 4.412 4.556 -0.001 0.000 0.301 434 H C 1.402 176.573 175.328 -0.263 0.000 1.074 434 H CA 2.315 58.181 56.048 -0.302 0.000 1.354 434 H CB -0.393 29.109 29.762 -0.433 0.000 1.397 434 H HN 0.486 nan 8.280 nan 0.000 0.516 435 Y N -0.586 119.554 120.300 -0.265 0.000 2.293 435 Y HA -0.105 4.445 4.550 -0.001 0.000 0.291 435 Y C 2.714 178.484 175.900 -0.218 0.000 1.137 435 Y CA 1.072 59.015 58.100 -0.262 0.000 1.202 435 Y CB -0.423 37.954 38.460 -0.138 0.000 0.990 435 Y HN 0.100 nan 8.280 nan 0.000 0.537 436 V N 0.196 120.077 119.914 -0.054 0.000 2.295 436 V HA -0.317 3.802 4.120 -0.001 0.000 0.246 436 V C 2.541 178.569 176.094 -0.110 0.000 1.049 436 V CA 2.195 64.447 62.300 -0.080 0.000 1.024 436 V CB -0.563 31.206 31.823 -0.090 0.000 0.648 436 V HN 0.313 nan 8.190 nan 0.000 0.447 437 R N 0.299 120.705 120.500 -0.157 0.000 2.083 437 R HA -0.194 4.145 4.340 -0.001 0.000 0.237 437 R C 2.289 178.527 176.300 -0.104 0.000 1.137 437 R CA 1.917 57.937 56.100 -0.134 0.000 0.951 437 R CB -0.514 29.696 30.300 -0.150 0.000 0.851 437 R HN 0.467 nan 8.270 nan 0.000 0.434 438 A N 0.677 123.381 122.820 -0.194 0.000 1.902 438 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 438 A C 2.378 179.949 177.584 -0.021 0.000 1.181 438 A CA 1.759 53.763 52.037 -0.055 0.000 0.623 438 A CB -0.796 18.123 19.000 -0.135 0.000 0.818 438 A HN 0.581 nan 8.150 nan 0.000 0.443 439 A N -0.369 122.431 122.820 -0.032 0.000 1.898 439 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 439 A C 1.944 179.491 177.584 -0.062 0.000 1.181 439 A CA 1.512 53.528 52.037 -0.036 0.000 0.620 439 A CB -0.473 18.503 19.000 -0.040 0.000 0.819 439 A HN 0.622 nan 8.150 nan 0.000 0.442 440 E N -0.950 119.208 120.200 -0.069 0.000 2.072 440 E HA -0.202 4.147 4.350 -0.001 0.000 0.191 440 E C 2.063 178.608 176.600 -0.092 0.000 0.985 440 E CA 1.378 57.727 56.400 -0.086 0.000 0.801 440 E CB -0.256 29.393 29.700 -0.085 0.000 0.750 440 E HN 0.751 nan 8.360 nan 0.000 0.452 441 M N 0.756 120.325 119.600 -0.052 0.000 2.077 441 M HA -0.154 4.325 4.480 -0.001 0.000 0.261 441 M C 2.177 178.481 176.300 0.007 0.000 1.070 441 M CA 1.365 56.636 55.300 -0.048 0.000 1.125 441 M CB 0.010 32.680 32.600 0.118 0.000 1.339 441 M HN 0.063 nan 8.290 nan 0.000 0.409 442 L N 0.097 121.379 121.223 0.098 0.000 2.079 442 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 442 L C 2.581 179.610 176.870 0.265 0.000 1.081 442 L CA 1.724 56.681 54.840 0.195 0.000 0.752 442 L CB -0.581 41.448 42.059 -0.051 0.000 0.896 442 L HN 0.519 nan 8.230 nan 0.000 0.433 443 S N -1.125 114.645 115.700 0.116 0.000 2.528 443 S HA 0.101 4.571 4.470 -0.001 0.000 0.219 443 S C 1.928 176.702 174.600 0.290 0.000 0.985 443 S CA 0.342 58.672 58.200 0.218 0.000 0.914 443 S CB 0.070 63.199 63.200 -0.118 0.000 0.776 443 S HN 0.290 nan 8.310 nan 0.000 0.526 444 A N 0.783 123.602 122.820 -0.002 0.000 2.066 444 A HA 0.141 4.460 4.320 -0.001 0.000 0.218 444 A C 1.663 179.132 177.584 -0.192 0.000 1.157 444 A CA 0.541 52.476 52.037 -0.170 0.000 0.670 444 A CB -1.090 17.669 19.000 -0.401 0.000 0.804 444 A HN 0.739 nan 8.150 nan 0.000 0.453 445 W N -0.271 121.044 121.300 0.025 0.000 2.392 445 W HA -0.037 4.622 4.660 -0.001 0.000 0.279 445 W C 1.181 177.487 176.519 -0.355 0.000 1.225 445 W CA 0.816 58.077 57.345 -0.140 0.000 1.233 445 W CB -0.015 29.329 29.460 -0.193 0.000 1.122 445 W HN 0.302 nan 8.180 nan 0.000 0.561 446 H N -1.665 117.469 119.070 0.106 0.000 2.797 446 H HA 0.312 4.867 4.556 -0.001 0.000 0.362 446 H C -0.445 174.779 175.328 -0.175 0.000 1.183 446 H CA -0.812 55.136 56.048 -0.168 0.000 1.197 446 H CB 1.789 31.211 29.762 -0.566 0.000 1.835 446 H HN -0.411 nan 8.280 nan 0.000 0.567 447 S N 0.392 116.040 115.700 -0.087 0.000 2.554 447 S HA 0.263 4.732 4.470 -0.001 0.000 0.278 447 S C -1.085 173.383 174.600 -0.219 0.000 1.242 447 S CA -0.643 57.529 58.200 -0.047 0.000 1.051 447 S CB 0.330 63.514 63.200 -0.027 0.000 0.986 447 S HN 0.309 nan 8.310 nan 0.000 0.502 448 W N 1.826 123.129 121.300 0.005 0.000 2.632 448 W HA 0.336 4.995 4.660 -0.001 0.000 0.328 448 W C -0.085 176.401 176.519 -0.054 0.000 1.044 448 W CA -0.859 56.464 57.345 -0.037 0.000 1.225 448 W CB 0.582 29.982 29.460 -0.100 0.000 1.396 448 W HN 0.629 nan 8.180 nan 0.000 0.499 449 D N 1.022 121.510 120.400 0.147 0.000 2.506 449 D HA 0.085 4.724 4.640 -0.001 0.000 0.234 449 D C 1.685 178.012 176.300 0.045 0.000 1.143 449 D CA 1.459 55.519 54.000 0.099 0.000 0.871 449 D CB 1.111 42.005 40.800 0.156 0.000 1.190 449 D HN 0.585 nan 8.370 nan 0.000 0.459 450 G N 3.346 112.172 108.800 0.044 0.000 2.475 450 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.220 450 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.220 450 G C 1.331 176.227 174.900 -0.007 0.000 1.125 450 G CA 0.481 45.592 45.100 0.019 0.000 0.755 450 G HN 0.499 nan 8.290 nan 0.000 0.565 451 M N 0.955 120.568 119.600 0.022 0.000 2.460 451 M HA 0.081 4.561 4.480 -0.001 0.000 0.263 451 M C 2.839 179.102 176.300 -0.062 0.000 1.071 451 M CA 0.892 56.226 55.300 0.057 0.000 1.096 451 M CB -0.844 31.876 32.600 0.199 0.000 1.408 451 M HN 0.332 nan 8.290 nan 0.000 0.463 452 A N -0.106 122.465 122.820 -0.415 0.000 2.066 452 A HA -0.077 4.243 4.320 -0.001 0.000 0.218 452 A C 1.318 178.718 177.584 -0.306 0.000 1.157 452 A CA 0.681 52.264 52.037 -0.757 0.000 0.670 452 A CB -0.343 18.053 19.000 -1.007 0.000 0.804 452 A HN 0.590 nan 8.150 nan 0.000 0.453 453 R N -2.046 118.346 120.500 -0.181 0.000 3.770 453 R HA -0.175 4.164 4.340 -0.001 0.000 0.305 453 R C 0.703 176.904 176.300 -0.166 0.000 1.184 453 R CA 0.704 56.732 56.100 -0.120 0.000 0.823 453 R CB -2.086 28.173 30.300 -0.068 0.000 1.285 453 R HN 0.480 nan 8.270 nan 0.000 0.499 454 I N 0.601 121.025 120.570 -0.243 0.000 2.163 454 I HA -0.198 3.972 4.170 -0.001 0.000 0.240 454 I C 2.154 178.152 176.117 -0.199 0.000 1.081 454 I CA 1.728 62.833 61.300 -0.325 0.000 1.353 454 I CB -0.697 36.965 38.000 -0.563 0.000 1.054 454 I HN 0.224 nan 8.210 nan 0.000 0.407 455 E N 0.674 120.797 120.200 -0.128 0.000 2.085 455 E HA -0.251 4.099 4.350 -0.001 0.000 0.194 455 E C 2.116 178.674 176.600 -0.070 0.000 0.994 455 E CA 1.380 57.731 56.400 -0.080 0.000 0.801 455 E CB -0.215 29.461 29.700 -0.039 0.000 0.743 455 E HN 0.465 nan 8.360 nan 0.000 0.453 456 E N 0.352 120.513 120.200 -0.065 0.000 2.051 456 E HA -0.251 4.098 4.350 -0.001 0.000 0.192 456 E C 1.989 178.552 176.600 -0.062 0.000 0.991 456 E CA 1.073 57.443 56.400 -0.050 0.000 0.799 456 E CB 0.104 29.779 29.700 -0.041 0.000 0.748 456 E HN -0.022 nan 8.360 nan 0.000 0.449 457 R N 0.247 120.697 120.500 -0.084 0.000 2.075 457 R HA -0.020 4.319 4.340 -0.001 0.000 0.232 457 R C 2.392 178.637 176.300 -0.092 0.000 1.126 457 R CA 0.929 56.978 56.100 -0.086 0.000 0.963 457 R CB -0.457 29.782 30.300 -0.102 0.000 0.858 457 R HN 0.263 nan 8.270 nan 0.000 0.435 458 L N -0.126 121.033 121.223 -0.106 0.000 2.056 458 L HA -0.130 4.209 4.340 -0.001 0.000 0.207 458 L C 2.381 179.192 176.870 -0.098 0.000 1.078 458 L CA 1.465 56.243 54.840 -0.104 0.000 0.749 458 L CB -0.419 41.574 42.059 -0.110 0.000 0.901 458 L HN 0.291 nan 8.230 nan 0.000 0.433 459 E N 0.164 120.312 120.200 -0.087 0.000 2.077 459 E HA -0.320 4.030 4.350 -0.001 0.000 0.193 459 E C 2.207 178.742 176.600 -0.108 0.000 0.989 459 E CA 1.530 57.874 56.400 -0.094 0.000 0.800 459 E CB -0.013 29.655 29.700 -0.054 0.000 0.746 459 E HN 0.439 nan 8.360 nan 0.000 0.452 460 Q N -0.026 119.728 119.800 -0.077 0.000 2.050 460 Q HA -0.202 4.137 4.340 -0.001 0.000 0.202 460 Q C 2.076 178.029 176.000 -0.078 0.000 0.980 460 Q CA 1.663 57.428 55.803 -0.065 0.000 0.840 460 Q CB -0.247 28.465 28.738 -0.043 0.000 0.898 460 Q HN 0.338 nan 8.270 nan 0.000 0.424 461 A N 1.094 123.865 122.820 -0.082 0.000 1.877 461 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 461 A C 2.108 179.631 177.584 -0.102 0.000 1.186 461 A CA 1.469 53.459 52.037 -0.080 0.000 0.620 461 A CB -0.520 18.434 19.000 -0.077 0.000 0.822 461 A HN 0.385 nan 8.150 nan 0.000 0.443 462 R N -0.776 119.644 120.500 -0.133 0.000 2.096 462 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 462 R C 2.381 178.534 176.300 -0.245 0.000 1.127 462 R CA 1.549 57.546 56.100 -0.171 0.000 0.968 462 R CB -0.265 29.922 30.300 -0.188 0.000 0.861 462 R HN 0.493 nan 8.270 nan 0.000 0.440 463 R N 0.207 120.535 120.500 -0.286 0.000 2.148 463 R HA -0.051 4.289 4.340 -0.001 0.000 0.223 463 R C 1.985 178.225 176.300 -0.100 0.000 1.088 463 R CA 0.781 56.653 56.100 -0.380 0.000 0.985 463 R CB 0.075 30.159 30.300 -0.360 0.000 0.880 463 R HN 0.206 nan 8.270 nan 0.000 0.451 464 E N 0.776 120.947 120.200 -0.049 0.000 2.076 464 E HA -0.147 4.203 4.350 -0.001 0.000 0.190 464 E C 1.974 178.601 176.600 0.045 0.000 0.979 464 E CA 0.686 57.100 56.400 0.023 0.000 0.807 464 E CB -0.193 29.511 29.700 0.006 0.000 0.761 464 E HN 0.143 nan 8.360 nan 0.000 0.454 465 L N 1.365 122.585 121.223 -0.006 0.000 2.046 465 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 465 L C 2.195 179.107 176.870 0.069 0.000 1.077 465 L CA 1.584 56.441 54.840 0.027 0.000 0.747 465 L CB -0.558 41.484 42.059 -0.029 0.000 0.896 465 L HN -0.092 nan 8.230 nan 0.000 0.432 466 S N -0.397 115.307 115.700 0.006 0.000 2.356 466 S HA -0.191 4.278 4.470 -0.001 0.000 0.223 466 S C 1.839 176.566 174.600 0.211 0.000 1.032 466 S CA 1.590 59.822 58.200 0.053 0.000 1.005 466 S CB -0.638 62.483 63.200 -0.131 0.000 0.867 466 S HN 0.487 nan 8.310 nan 0.000 0.449 467 L N 0.806 122.194 121.223 0.274 0.000 2.042 467 L HA -0.051 4.288 4.340 -0.001 0.000 0.210 467 L C 1.868 178.830 176.870 0.154 0.000 1.076 467 L CA 1.717 56.714 54.840 0.261 0.000 0.749 467 L CB -0.695 41.489 42.059 0.208 0.000 0.893 467 L HN 0.292 nan 8.230 nan 0.000 0.432 468 F N -0.184 119.728 119.950 -0.064 0.000 2.451 468 F HA -0.119 4.407 4.527 -0.001 0.000 0.299 468 F C 2.153 177.875 175.800 -0.130 0.000 1.101 468 F CA 0.865 58.724 58.000 -0.235 0.000 1.436 468 F CB -0.238 38.657 39.000 -0.174 0.000 1.074 468 F HN 0.265 nan 8.300 nan 0.000 0.553 469 Q N -0.356 119.412 119.800 -0.053 0.000 2.488 469 Q HA -0.134 4.206 4.340 -0.001 0.000 0.211 469 Q C 0.474 176.417 176.000 -0.096 0.000 0.967 469 Q CA 0.400 56.148 55.803 -0.092 0.000 0.926 469 Q CB -1.350 27.401 28.738 0.021 0.000 0.992 469 Q HN 0.512 nan 8.270 nan 0.000 0.506 470 H N 1.901 120.854 119.070 -0.196 0.000 3.073 470 H HA -0.112 4.443 4.556 -0.001 0.000 0.340 470 H C 1.381 176.550 175.328 -0.265 0.000 1.054 470 H CA 0.756 56.681 56.048 -0.204 0.000 1.372 470 H CB 0.585 30.244 29.762 -0.171 0.000 1.314 470 H HN 0.237 nan 8.280 nan 0.000 0.603 471 H N 1.929 120.574 119.070 -0.708 0.000 2.563 471 H HA -0.015 4.541 4.556 -0.001 0.000 0.272 471 H C -0.317 174.563 175.328 -0.747 0.000 1.005 471 H CA 0.747 56.334 56.048 -0.768 0.000 1.171 471 H CB 0.316 29.600 29.762 -0.796 0.000 1.351 471 H HN 0.602 nan 8.280 nan 0.000 0.602 472 D N 0.517 120.180 120.400 -1.230 0.000 2.501 472 D HA 0.141 4.781 4.640 -0.001 0.000 0.224 472 D C 1.533 177.804 176.300 -0.049 0.000 1.202 472 D CA 0.245 54.086 54.000 -0.266 0.000 0.829 472 D CB 0.827 41.711 40.800 0.140 0.000 1.023 472 D HN 0.524 nan 8.370 nan 0.000 0.499 473 G N 1.165 109.726 108.800 -0.397 0.000 2.548 473 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.221 473 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.221 473 G C 1.318 175.604 174.900 -1.022 0.000 1.796 473 G CA -0.239 44.384 45.100 -0.796 0.000 0.889 473 G HN 0.211 nan 8.290 nan 0.000 0.599 474 I N 2.003 121.697 120.570 -1.460 0.000 2.530 474 I HA -0.179 3.990 4.170 -0.001 0.000 0.257 474 I C 2.859 178.874 176.117 -0.171 0.000 1.179 474 I CA 2.023 62.781 61.300 -0.903 0.000 1.440 474 I CB -0.004 37.666 38.000 -0.549 0.000 1.087 474 I HN 0.389 nan 8.210 nan 0.000 0.440 475 T N -1.862 112.639 114.554 -0.087 0.000 3.035 475 T HA 0.048 4.398 4.350 -0.001 0.000 0.268 475 T C 1.554 176.397 174.700 0.237 0.000 1.109 475 T CA 0.603 62.844 62.100 0.235 0.000 1.119 475 T CB -0.416 68.578 68.868 0.211 0.000 0.900 475 T HN 0.608 nan 8.240 nan 0.000 0.503 476 G N 1.564 110.452 108.800 0.146 0.000 2.176 476 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.252 476 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.252 476 G C 0.553 175.516 174.900 0.105 0.000 1.024 476 G CA 0.614 45.821 45.100 0.178 0.000 0.755 476 G HN 1.125 nan 8.290 nan 0.000 0.507 477 T N -3.177 111.427 114.554 0.082 0.000 3.214 477 T HA 0.737 5.086 4.350 -0.001 0.000 0.264 477 T C 0.863 175.743 174.700 0.299 0.000 1.012 477 T CA 0.995 63.068 62.100 -0.045 0.000 0.901 477 T CB 0.945 69.588 68.868 -0.376 0.000 1.070 477 T HN 1.558 nan 8.240 nan 0.000 0.561 478 A N 1.194 124.208 122.820 0.323 0.000 2.269 478 A HA 0.693 5.013 4.320 -0.001 0.000 0.327 478 A C 0.173 177.840 177.584 0.138 0.000 1.112 478 A CA -0.987 51.275 52.037 0.374 0.000 0.865 478 A CB 0.903 20.158 19.000 0.424 0.000 1.227 478 A HN 0.402 nan 8.150 nan 0.000 0.498 479 K N -0.176 120.228 120.400 0.007 0.000 2.276 479 K HA 0.153 4.472 4.320 -0.001 0.000 0.259 479 K C 1.073 177.652 176.600 -0.035 0.000 1.001 479 K CA 0.367 56.632 56.287 -0.035 0.000 0.927 479 K CB 0.391 32.850 32.500 -0.068 0.000 0.969 479 K HN 0.738 nan 8.250 nan 0.000 0.490 480 T N 1.414 115.990 114.554 0.036 0.000 2.653 480 T HA -0.217 4.133 4.350 -0.001 0.000 0.268 480 T C 1.655 176.376 174.700 0.035 0.000 1.035 480 T CA 1.883 64.015 62.100 0.052 0.000 1.154 480 T CB -0.430 68.485 68.868 0.079 0.000 0.862 480 T HN 0.698 nan 8.240 nan 0.000 0.441 481 H N 0.449 119.518 119.070 -0.001 0.000 2.495 481 H HA 0.110 4.666 4.556 -0.001 0.000 0.287 481 H C 2.020 177.327 175.328 -0.034 0.000 1.033 481 H CA 0.846 56.887 56.048 -0.012 0.000 1.307 481 H CB -0.690 29.060 29.762 -0.020 0.000 1.401 481 H HN 0.280 nan 8.280 nan 0.000 0.555 482 V N 1.203 120.751 119.914 -0.610 0.000 2.407 482 V HA -0.171 3.948 4.120 -0.001 0.000 0.245 482 V C 3.029 178.944 176.094 -0.299 0.000 1.041 482 V CA 1.092 63.090 62.300 -0.503 0.000 1.040 482 V CB -0.456 31.112 31.823 -0.425 0.000 0.671 482 V HN 0.228 nan 8.190 nan 0.000 0.455 483 V N 0.102 119.962 119.914 -0.089 0.000 2.324 483 V HA -0.263 3.856 4.120 -0.001 0.000 0.250 483 V C 2.475 178.569 176.094 -0.000 0.000 1.060 483 V CA 2.103 64.413 62.300 0.018 0.000 1.042 483 V CB -0.619 31.179 31.823 -0.043 0.000 0.650 483 V HN 0.413 nan 8.190 nan 0.000 0.450 484 V N 0.386 120.307 119.914 0.011 0.000 2.332 484 V HA -0.314 3.806 4.120 -0.001 0.000 0.248 484 V C 2.321 178.452 176.094 0.062 0.000 1.055 484 V CA 2.450 64.791 62.300 0.067 0.000 1.038 484 V CB -0.723 31.143 31.823 0.071 0.000 0.651 484 V HN 0.657 nan 8.190 nan 0.000 0.450 485 D N -1.032 119.362 120.400 -0.010 0.000 2.104 485 D HA -0.216 4.424 4.640 -0.001 0.000 0.194 485 D C 2.019 178.352 176.300 0.056 0.000 0.994 485 D CA 1.561 55.551 54.000 -0.016 0.000 0.830 485 D CB -0.177 40.556 40.800 -0.113 0.000 0.959 485 D HN 0.466 nan 8.370 nan 0.000 0.452 486 Y N 1.026 121.384 120.300 0.096 0.000 2.181 486 Y HA -0.077 4.473 4.550 -0.001 0.000 0.288 486 Y C 2.451 178.353 175.900 0.003 0.000 1.146 486 Y CA 1.308 59.465 58.100 0.095 0.000 1.164 486 Y CB -0.836 37.749 38.460 0.208 0.000 0.982 486 Y HN 0.178 nan 8.280 nan 0.000 0.515 487 E N 0.038 120.372 120.200 0.223 0.000 2.051 487 E HA -0.261 4.089 4.350 -0.001 0.000 0.192 487 E C 2.009 178.704 176.600 0.159 0.000 0.991 487 E CA 1.535 58.078 56.400 0.237 0.000 0.799 487 E CB -0.057 29.865 29.700 0.370 0.000 0.748 487 E HN 0.570 nan 8.360 nan 0.000 0.449 488 Q N -0.065 119.814 119.800 0.131 0.000 2.084 488 Q HA -0.160 4.179 4.340 -0.001 0.000 0.202 488 Q C 2.335 178.381 176.000 0.077 0.000 0.978 488 Q CA 1.402 57.262 55.803 0.094 0.000 0.844 488 Q CB -0.106 28.678 28.738 0.077 0.000 0.898 488 Q HN 0.199 nan 8.270 nan 0.000 0.426 489 R N 0.027 120.579 120.500 0.087 0.000 2.096 489 R HA -0.045 4.295 4.340 -0.001 0.000 0.235 489 R C 2.235 178.556 176.300 0.036 0.000 1.127 489 R CA 1.308 57.449 56.100 0.069 0.000 0.968 489 R CB -0.128 30.238 30.300 0.110 0.000 0.861 489 R HN 0.303 nan 8.270 nan 0.000 0.440 490 M N 0.095 119.706 119.600 0.019 0.000 2.254 490 M HA -0.143 4.337 4.480 -0.001 0.000 0.265 490 M C 2.125 178.420 176.300 -0.008 0.000 1.066 490 M CA 1.236 56.511 55.300 -0.040 0.000 1.123 490 M CB -0.071 32.444 32.600 -0.141 0.000 1.388 490 M HN 0.077 nan 8.290 nan 0.000 0.425 491 Q N 0.596 120.423 119.800 0.044 0.000 2.061 491 Q HA -0.172 4.168 4.340 -0.001 0.000 0.204 491 Q C 1.895 177.906 176.000 0.017 0.000 0.984 491 Q CA 1.464 57.301 55.803 0.057 0.000 0.846 491 Q CB -0.431 28.357 28.738 0.082 0.000 0.902 491 Q HN 0.474 nan 8.270 nan 0.000 0.421 492 E N 0.401 120.610 120.200 0.015 0.000 2.085 492 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 492 E C 1.869 178.456 176.600 -0.022 0.000 0.994 492 E CA 1.155 57.554 56.400 -0.002 0.000 0.801 492 E CB -0.253 29.450 29.700 0.006 0.000 0.743 492 E HN 0.333 nan 8.360 nan 0.000 0.453 493 A N 1.187 123.991 122.820 -0.027 0.000 1.902 493 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 493 A C 2.413 179.960 177.584 -0.062 0.000 1.181 493 A CA 1.086 53.096 52.037 -0.046 0.000 0.623 493 A CB -0.706 18.266 19.000 -0.048 0.000 0.818 493 A HN 0.175 nan 8.150 nan 0.000 0.443 494 L N -0.669 120.514 121.223 -0.068 0.000 2.017 494 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 494 L C 2.614 179.407 176.870 -0.127 0.000 1.073 494 L CA 1.788 56.559 54.840 -0.115 0.000 0.745 494 L CB -0.423 41.577 42.059 -0.099 0.000 0.894 494 L HN 0.374 nan 8.230 nan 0.000 0.432 495 K N -0.126 120.226 120.400 -0.081 0.000 2.097 495 K HA -0.160 4.159 4.320 -0.001 0.000 0.206 495 K C 2.185 178.743 176.600 -0.071 0.000 1.049 495 K CA 1.351 57.594 56.287 -0.074 0.000 0.933 495 K CB -0.254 32.217 32.500 -0.047 0.000 0.717 495 K HN 0.300 nan 8.250 nan 0.000 0.442 496 A N 1.111 123.892 122.820 -0.065 0.000 1.898 496 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 496 A C 2.434 179.973 177.584 -0.073 0.000 1.181 496 A CA 1.383 53.381 52.037 -0.065 0.000 0.620 496 A CB -0.941 18.022 19.000 -0.062 0.000 0.819 496 A HN 0.395 nan 8.150 nan 0.000 0.442 497 C N -0.999 118.255 119.300 -0.077 0.000 2.429 497 C HA -0.128 4.331 4.460 -0.001 0.000 0.277 497 C C 2.871 177.828 174.990 -0.054 0.000 1.262 497 C CA 1.312 60.292 59.018 -0.063 0.000 1.733 497 C CB -1.251 26.461 27.740 -0.047 0.000 2.010 497 C HN 0.789 nan 8.230 nan 0.000 0.483 498 Q N 0.089 119.831 119.800 -0.097 0.000 2.096 498 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 498 Q C 2.161 178.173 176.000 0.020 0.000 0.982 498 Q CA 2.006 57.776 55.803 -0.056 0.000 0.850 498 Q CB -0.257 28.419 28.738 -0.104 0.000 0.901 498 Q HN 0.583 nan 8.270 nan 0.000 0.422 499 M N -0.194 119.395 119.600 -0.017 0.000 2.086 499 M HA -0.141 4.338 4.480 -0.001 0.000 0.261 499 M C 1.893 178.184 176.300 -0.014 0.000 1.067 499 M CA 1.544 56.841 55.300 -0.005 0.000 1.116 499 M CB -0.446 32.135 32.600 -0.033 0.000 1.348 499 M HN 0.140 nan 8.290 nan 0.000 0.407 500 V N 0.240 120.111 119.914 -0.073 0.000 2.343 500 V HA -0.317 3.802 4.120 -0.001 0.000 0.247 500 V C 2.422 178.461 176.094 -0.092 0.000 1.051 500 V CA 2.230 64.438 62.300 -0.154 0.000 1.036 500 V CB -0.757 30.956 31.823 -0.184 0.000 0.654 500 V HN 0.559 nan 8.190 nan 0.000 0.451 501 M N 0.210 119.820 119.600 0.017 0.000 2.132 501 M HA -0.233 4.247 4.480 -0.001 0.000 0.263 501 M C 2.389 178.725 176.300 0.059 0.000 1.065 501 M CA 2.246 57.600 55.300 0.091 0.000 1.122 501 M CB -0.469 32.321 32.600 0.317 0.000 1.365 501 M HN 0.535 nan 8.290 nan 0.000 0.411 502 Q N -0.116 119.791 119.800 0.179 0.000 2.172 502 Q HA -0.129 4.210 4.340 -0.001 0.000 0.200 502 Q C 1.811 177.974 176.000 0.272 0.000 0.964 502 Q CA 1.176 57.108 55.803 0.215 0.000 0.855 502 Q CB -0.559 28.405 28.738 0.375 0.000 0.918 502 Q HN 0.416 nan 8.270 nan 0.000 0.444 503 Q N 0.522 120.470 119.800 0.247 0.000 2.119 503 Q HA -0.031 4.309 4.340 -0.001 0.000 0.201 503 Q C 2.280 178.510 176.000 0.384 0.000 0.972 503 Q CA 1.606 57.633 55.803 0.374 0.000 0.847 503 Q CB -0.148 28.721 28.738 0.219 0.000 0.903 503 Q HN 0.503 nan 8.270 nan 0.000 0.433 504 S N 0.480 116.284 115.700 0.174 0.000 2.356 504 S HA -0.101 4.368 4.470 -0.001 0.000 0.223 504 S C 2.229 176.865 174.600 0.061 0.000 1.032 504 S CA 1.159 59.512 58.200 0.256 0.000 1.005 504 S CB -0.285 62.991 63.200 0.127 0.000 0.867 504 S HN 0.130 nan 8.310 nan 0.000 0.449 505 V N 0.917 120.741 119.914 -0.149 0.000 2.287 505 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 505 V C 2.017 178.066 176.094 -0.075 0.000 1.053 505 V CA 2.003 64.086 62.300 -0.361 0.000 1.027 505 V CB -0.823 30.382 31.823 -1.030 0.000 0.646 505 V HN 0.543 nan 8.190 nan 0.000 0.447 506 Y N 1.268 121.600 120.300 0.053 0.000 2.128 506 Y HA -0.284 4.265 4.550 -0.001 0.000 0.284 506 Y C 2.758 178.717 175.900 0.098 0.000 1.154 506 Y CA 2.314 60.532 58.100 0.197 0.000 1.149 506 Y CB -0.383 38.092 38.460 0.025 0.000 0.976 506 Y HN 0.093 nan 8.280 nan 0.000 0.505 507 R N -0.195 120.179 120.500 -0.210 0.000 2.092 507 R HA -0.096 4.243 4.340 -0.001 0.000 0.231 507 R C 2.131 178.080 176.300 -0.586 0.000 1.119 507 R CA 1.549 57.168 56.100 -0.803 0.000 0.970 507 R CB -0.336 29.536 30.300 -0.713 0.000 0.864 507 R HN 0.456 nan 8.270 nan 0.000 0.440 508 L N 0.158 121.192 121.223 -0.314 0.000 2.313 508 L HA -0.026 4.314 4.340 -0.001 0.000 0.214 508 L C 1.381 178.124 176.870 -0.213 0.000 1.119 508 L CA 0.663 55.292 54.840 -0.351 0.000 0.809 508 L CB 0.176 41.876 42.059 -0.598 0.000 0.933 508 L HN 0.221 nan 8.230 nan 0.000 0.449 509 L N -1.252 119.930 121.223 -0.068 0.000 3.014 509 L HA 0.224 4.564 4.340 -0.001 0.000 0.263 509 L C -0.217 176.695 176.870 0.070 0.000 1.207 509 L CA -0.067 54.824 54.840 0.087 0.000 1.017 509 L CB 0.575 42.840 42.059 0.344 0.000 1.360 509 L HN -0.004 nan 8.230 nan 0.000 0.560 510 T N 0.091 114.606 114.554 -0.065 0.000 2.807 510 T HA 0.194 4.543 4.350 -0.001 0.000 0.279 510 T C -0.145 174.471 174.700 -0.141 0.000 0.993 510 T CA -0.561 61.487 62.100 -0.086 0.000 0.970 510 T CB 2.378 71.162 68.868 -0.139 0.000 0.950 510 T HN 0.004 nan 8.240 nan 0.000 0.441 511 K N 3.978 124.311 120.400 -0.113 0.000 2.504 511 K HA -0.011 4.308 4.320 -0.001 0.000 0.278 511 K C -1.583 174.986 176.600 -0.051 0.000 1.025 511 K CA -1.116 55.121 56.287 -0.084 0.000 1.093 511 K CB 0.472 32.930 32.500 -0.071 0.000 0.873 511 K HN 0.179 nan 8.250 nan 0.000 0.483 512 P HA -0.191 nan 4.420 nan 0.000 0.216 512 P C 0.720 178.037 177.300 0.027 0.000 1.150 512 P CA 1.390 64.471 63.100 -0.031 0.000 0.837 512 P CB 0.094 31.768 31.700 -0.043 0.000 0.786 513 S N -2.074 113.632 115.700 0.010 0.000 2.607 513 S HA 0.054 4.523 4.470 -0.001 0.000 0.224 513 S C 1.647 176.262 174.600 0.025 0.000 0.969 513 S CA 0.527 58.736 58.200 0.015 0.000 0.927 513 S CB -1.081 62.120 63.200 0.001 0.000 0.772 513 S HN 0.125 nan 8.310 nan 0.000 0.533 514 I N -1.028 119.566 120.570 0.040 0.000 4.139 514 I HA 0.240 4.409 4.170 -0.001 0.000 0.320 514 I C 0.328 176.504 176.117 0.098 0.000 1.290 514 I CA -0.474 60.858 61.300 0.053 0.000 1.253 514 I CB 0.088 38.113 38.000 0.041 0.000 1.122 514 I HN 0.225 nan 8.210 nan 0.000 0.421 515 Y N 2.870 123.130 120.300 -0.065 0.000 2.804 515 Y HA -0.003 4.546 4.550 -0.001 0.000 0.338 515 Y C 0.515 176.411 175.900 -0.007 0.000 1.252 515 Y CA -0.018 58.015 58.100 -0.113 0.000 1.576 515 Y CB 0.426 38.747 38.460 -0.232 0.000 1.223 515 Y HN -0.114 nan 8.280 nan 0.000 0.536 516 S N 8.873 124.405 115.700 -0.279 0.000 2.204 516 S HA 0.360 4.830 4.470 -0.001 0.000 0.147 516 S C -2.816 171.607 174.600 -0.296 0.000 1.711 516 S CA -1.262 56.769 58.200 -0.283 0.000 1.274 516 S CB -0.174 62.972 63.200 -0.089 0.000 1.257 516 S HN 0.633 nan 8.310 nan 0.000 0.404 517 P HA 0.282 nan 4.420 nan 0.000 0.271 517 P C -1.019 176.064 177.300 -0.363 0.000 1.216 517 P CA -0.111 62.772 63.100 -0.362 0.000 0.771 517 P CB 0.707 32.086 31.700 -0.534 0.000 0.864 518 D N 2.052 122.398 120.400 -0.089 0.000 2.349 518 D HA 0.170 4.810 4.640 -0.001 0.000 0.232 518 D C 0.099 176.428 176.300 0.048 0.000 1.071 518 D CA -0.684 53.233 54.000 -0.139 0.000 0.832 518 D CB 0.353 41.093 40.800 -0.099 0.000 1.086 518 D HN 0.046 nan 8.370 nan 0.000 0.504 519 F N 1.519 121.575 119.950 0.176 0.000 2.802 519 F HA 0.000 4.527 4.527 -0.001 0.000 0.300 519 F C 2.306 178.176 175.800 0.117 0.000 1.168 519 F CA 0.343 58.452 58.000 0.182 0.000 1.433 519 F CB -0.307 38.785 39.000 0.153 0.000 1.115 519 F HN 0.364 nan 8.300 nan 0.000 0.582 520 S N -1.847 113.988 115.700 0.226 0.000 2.540 520 S HA 0.146 4.615 4.470 -0.001 0.000 0.218 520 S C 0.198 174.839 174.600 0.069 0.000 0.977 520 S CA -0.370 57.906 58.200 0.125 0.000 0.918 520 S CB -0.656 62.598 63.200 0.090 0.000 0.806 520 S HN 0.082 nan 8.310 nan 0.000 0.496 521 F N 2.726 122.601 119.950 -0.125 0.000 2.397 521 F HA 0.606 5.133 4.527 -0.001 0.000 0.331 521 F C -0.104 175.446 175.800 -0.417 0.000 1.090 521 F CA -0.761 57.029 58.000 -0.349 0.000 1.065 521 F CB 1.726 40.366 39.000 -0.601 0.000 1.184 521 F HN -0.058 nan 8.300 nan 0.000 0.499 522 S N 5.644 120.645 115.700 -1.165 0.000 2.415 522 S HA 0.169 4.639 4.470 -0.001 0.000 0.313 522 S C 0.213 174.291 174.600 -0.869 0.000 1.067 522 S CA -0.362 57.396 58.200 -0.738 0.000 1.099 522 S CB -0.039 62.839 63.200 -0.538 0.000 0.991 522 S HN 0.637 nan 8.310 nan 0.000 0.491 523 Y N 1.561 121.687 120.300 -0.290 0.000 2.337 523 Y HA 0.237 4.786 4.550 -0.001 0.000 0.293 523 Y C 0.360 175.751 175.900 -0.848 0.000 1.123 523 Y CA 0.574 58.358 58.100 -0.527 0.000 1.201 523 Y CB 0.149 38.361 38.460 -0.412 0.000 1.011 523 Y HN 0.502 nan 8.280 nan 0.000 0.545 524 F N -1.161 118.761 119.950 -0.048 0.000 2.599 524 F HA 0.465 4.991 4.527 -0.001 0.000 0.311 524 F C -0.044 175.791 175.800 0.059 0.000 1.076 524 F CA -1.467 56.559 58.000 0.043 0.000 0.937 524 F CB 1.675 40.821 39.000 0.243 0.000 1.282 524 F HN -0.389 nan 8.300 nan 0.000 0.460 525 T N 0.140 114.853 114.554 0.263 0.000 2.888 525 T HA 0.713 5.062 4.350 -0.001 0.000 0.284 525 T C -0.608 174.200 174.700 0.181 0.000 1.017 525 T CA -0.834 61.361 62.100 0.158 0.000 1.022 525 T CB 1.284 70.181 68.868 0.048 0.000 1.013 525 T HN 0.500 nan 8.240 nan 0.000 0.465 526 L N 1.875 123.117 121.223 0.033 0.000 2.397 526 L HA 0.434 4.774 4.340 -0.001 0.000 0.271 526 L C 0.051 176.894 176.870 -0.045 0.000 1.148 526 L CA -0.301 54.465 54.840 -0.124 0.000 0.825 526 L CB 0.726 42.645 42.059 -0.235 0.000 1.117 526 L HN 0.797 nan 8.230 nan 0.000 0.456 527 D N 1.493 121.868 120.400 -0.042 0.000 2.492 527 D HA 0.216 4.856 4.640 -0.001 0.000 0.248 527 D C -1.279 174.963 176.300 -0.096 0.000 1.101 527 D CA -0.366 53.608 54.000 -0.042 0.000 0.840 527 D CB 1.167 41.984 40.800 0.028 0.000 1.209 527 D HN 0.271 nan 8.370 nan 0.000 0.524 528 D N 2.344 122.697 120.400 -0.079 0.000 2.481 528 D HA 0.203 4.843 4.640 -0.001 0.000 0.246 528 D C 0.148 176.394 176.300 -0.091 0.000 1.109 528 D CA -0.426 53.558 54.000 -0.027 0.000 0.845 528 D CB 1.879 42.751 40.800 0.119 0.000 1.160 528 D HN 0.229 nan 8.370 nan 0.000 0.534 529 S N 2.592 118.214 115.700 -0.130 0.000 2.489 529 S HA 0.015 4.484 4.470 -0.001 0.000 0.228 529 S C 1.362 175.919 174.600 -0.072 0.000 0.995 529 S CA 0.596 58.707 58.200 -0.148 0.000 0.934 529 S CB 0.349 63.452 63.200 -0.162 0.000 0.771 529 S HN 0.485 nan 8.310 nan 0.000 0.522 530 R N -0.567 119.925 120.500 -0.013 0.000 2.565 530 R HA 0.225 4.565 4.340 -0.001 0.000 0.347 530 R C -0.636 175.748 176.300 0.140 0.000 1.010 530 R CA -0.113 56.005 56.100 0.029 0.000 1.126 530 R CB 0.754 31.060 30.300 0.011 0.000 1.331 530 R HN 0.341 nan 8.270 nan 0.000 0.552 531 W N 1.095 122.353 121.300 -0.069 0.000 3.439 531 W HA 0.276 4.936 4.660 -0.001 0.000 0.323 531 W C -2.937 173.548 176.519 -0.058 0.000 1.174 531 W CA -1.965 55.337 57.345 -0.071 0.000 1.224 531 W CB 1.716 31.144 29.460 -0.053 0.000 1.348 531 W HN -0.200 nan 8.180 nan 0.000 0.498 532 P HA 0.085 nan 4.420 nan 0.000 0.225 532 P C 0.314 177.275 177.300 -0.565 0.000 1.148 532 P CA 1.897 64.180 63.100 -1.361 0.000 0.779 532 P CB 0.219 31.324 31.700 -0.991 0.000 0.780 533 G N -1.020 107.603 108.800 -0.294 0.000 2.770 533 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.686 533 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.686 533 G C -0.370 174.465 174.900 -0.107 0.000 1.180 533 G CA -0.531 44.481 45.100 -0.146 0.000 0.767 533 G HN 0.076 nan 8.290 nan 0.000 0.646 534 S N 0.443 116.118 115.700 -0.041 0.000 2.626 534 S HA 0.473 4.942 4.470 -0.001 0.000 0.303 534 S C 1.973 176.569 174.600 -0.007 0.000 1.256 534 S CA 2.303 60.513 58.200 0.016 0.000 1.069 534 S CB 0.033 63.282 63.200 0.082 0.000 0.807 534 S HN 2.697 nan 8.310 nan 0.000 0.500 535 G N 3.029 111.823 108.800 -0.010 0.000 2.267 535 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.257 535 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.257 535 G C 0.746 175.609 174.900 -0.061 0.000 0.998 535 G CA 0.406 45.483 45.100 -0.038 0.000 0.620 535 G HN 0.867 nan 8.290 nan 0.000 0.529 536 V N -0.034 119.829 119.914 -0.085 0.000 2.436 536 V HA 0.380 4.499 4.120 -0.001 0.000 0.240 536 V C 0.949 176.976 176.094 -0.111 0.000 1.040 536 V CA 2.017 64.253 62.300 -0.107 0.000 1.052 536 V CB 0.520 32.248 31.823 -0.159 0.000 0.707 536 V HN 0.555 nan 8.190 nan 0.000 0.469 537 E N -0.061 120.064 120.200 -0.124 0.000 2.321 537 E HA 0.137 4.486 4.350 -0.001 0.000 0.278 537 E C -1.580 174.979 176.600 -0.069 0.000 0.902 537 E CA -0.517 55.822 56.400 -0.103 0.000 0.758 537 E CB 1.864 31.476 29.700 -0.146 0.000 1.213 537 E HN 0.237 nan 8.360 nan 0.000 0.426 538 D N 3.106 123.487 120.400 -0.031 0.000 2.517 538 D HA 0.046 4.686 4.640 -0.001 0.000 0.220 538 D C 0.292 176.585 176.300 -0.013 0.000 1.158 538 D CA 0.204 54.205 54.000 0.001 0.000 0.992 538 D CB 0.336 41.152 40.800 0.026 0.000 1.058 538 D HN 0.402 nan 8.370 nan 0.000 0.516 539 S N 2.430 118.106 115.700 -0.040 0.000 2.540 539 S HA 0.172 4.642 4.470 -0.001 0.000 0.222 539 S C 0.866 175.437 174.600 -0.047 0.000 1.008 539 S CA -0.508 57.662 58.200 -0.050 0.000 0.939 539 S CB 0.541 63.692 63.200 -0.082 0.000 0.865 539 S HN 0.247 nan 8.310 nan 0.000 0.499 540 R N 2.915 123.381 120.500 -0.057 0.000 2.390 540 R HA 0.360 4.700 4.340 -0.001 0.000 0.291 540 R C 0.123 176.424 176.300 0.002 0.000 1.070 540 R CA 0.182 56.222 56.100 -0.101 0.000 1.014 540 R CB 0.842 30.937 30.300 -0.341 0.000 1.007 540 R HN 0.482 nan 8.270 nan 0.000 0.466 541 T N -0.426 114.141 114.554 0.021 0.000 2.897 541 T HA 0.184 4.533 4.350 -0.001 0.000 0.294 541 T C 0.270 175.060 174.700 0.149 0.000 1.004 541 T CA -0.650 61.496 62.100 0.077 0.000 1.106 541 T CB 1.361 70.267 68.868 0.063 0.000 0.949 541 T HN 0.351 nan 8.240 nan 0.000 0.520 542 T N 3.946 118.601 114.554 0.169 0.000 2.806 542 T HA 0.407 4.756 4.350 -0.001 0.000 0.290 542 T C 0.461 175.265 174.700 0.174 0.000 0.966 542 T CA -0.543 61.686 62.100 0.216 0.000 1.060 542 T CB 0.283 69.248 68.868 0.161 0.000 0.927 542 T HN 0.588 nan 8.240 nan 0.000 0.485 543 I N 3.873 124.567 120.570 0.205 0.000 2.436 543 I HA 0.211 4.380 4.170 -0.001 0.000 0.289 543 I C 0.081 176.285 176.117 0.144 0.000 1.083 543 I CA -0.089 61.310 61.300 0.165 0.000 1.372 543 I CB 0.308 38.409 38.000 0.169 0.000 1.408 543 I HN 0.451 nan 8.210 nan 0.000 0.516 544 I N 8.016 128.656 120.570 0.116 0.000 2.312 544 I HA 0.379 4.548 4.170 -0.001 0.000 0.290 544 I C -0.231 175.946 176.117 0.101 0.000 1.008 544 I CA -0.181 61.181 61.300 0.104 0.000 1.226 544 I CB 0.654 38.703 38.000 0.082 0.000 1.371 544 I HN 0.380 nan 8.210 nan 0.000 0.468 545 L N 5.558 126.844 121.223 0.105 0.000 2.350 545 L HA 0.963 5.302 4.340 -0.001 0.000 0.260 545 L C -0.047 176.879 176.870 0.093 0.000 1.015 545 L CA -0.754 54.145 54.840 0.098 0.000 0.821 545 L CB 2.364 44.484 42.059 0.102 0.000 1.370 545 L HN 0.690 nan 8.230 nan 0.000 0.416 546 G N -0.223 108.627 108.800 0.083 0.000 2.556 546 G HA2 0.237 4.197 3.960 -0.001 0.000 0.294 546 G HA3 0.237 4.197 3.960 -0.001 0.000 0.294 546 G C -0.215 174.723 174.900 0.064 0.000 1.516 546 G CA -0.428 44.719 45.100 0.077 0.000 0.824 546 G HN 0.520 nan 8.290 nan 0.000 0.535 547 E N 0.328 120.563 120.200 0.058 0.000 2.204 547 E HA -0.098 4.252 4.350 -0.001 0.000 0.195 547 E C 0.666 177.289 176.600 0.038 0.000 0.990 547 E CA 1.005 57.431 56.400 0.044 0.000 0.821 547 E CB 0.456 30.177 29.700 0.034 0.000 0.750 547 E HN 0.547 nan 8.360 nan 0.000 0.477 548 D N 0.194 120.617 120.400 0.040 0.000 2.360 548 D HA 0.130 4.769 4.640 -0.001 0.000 0.210 548 D C 1.411 177.733 176.300 0.038 0.000 1.047 548 D CA 0.127 54.147 54.000 0.034 0.000 0.854 548 D CB 0.671 41.490 40.800 0.032 0.000 0.936 548 D HN 0.259 nan 8.370 nan 0.000 0.514 549 I N -3.168 117.429 120.570 0.045 0.000 4.565 549 I HA 0.296 4.465 4.170 -0.001 0.000 0.195 549 I C -0.333 175.818 176.117 0.056 0.000 0.882 549 I CA -0.990 60.340 61.300 0.049 0.000 1.698 549 I CB 0.251 38.282 38.000 0.052 0.000 1.208 549 I HN -0.367 nan 8.210 nan 0.000 0.380 550 L N 3.274 124.536 121.223 0.065 0.000 2.562 550 L HA 0.259 4.599 4.340 -0.001 0.000 0.271 550 L C -1.940 174.973 176.870 0.072 0.000 1.167 550 L CA -1.169 53.716 54.840 0.075 0.000 0.917 550 L CB 0.091 42.204 42.059 0.089 0.000 1.187 550 L HN 0.378 nan 8.230 nan 0.000 0.482 551 P HA 0.024 nan 4.420 nan 0.000 0.227 551 P C -0.521 176.811 177.300 0.053 0.000 1.161 551 P CA 0.539 63.673 63.100 0.056 0.000 0.788 551 P CB 0.317 32.043 31.700 0.043 0.000 0.822 552 S N -2.170 113.564 115.700 0.056 0.000 2.596 552 S HA 0.748 5.218 4.470 -0.001 0.000 0.270 552 S C -1.300 173.335 174.600 0.059 0.000 1.155 552 S CA -0.703 57.517 58.200 0.034 0.000 0.827 552 S CB 2.473 65.664 63.200 -0.014 0.000 1.130 552 S HN -0.137 nan 8.310 nan 0.000 0.467 553 K N 0.501 120.922 120.400 0.034 0.000 2.525 553 K HA 0.539 4.858 4.320 -0.001 0.000 0.254 553 K C -2.015 174.638 176.600 0.089 0.000 0.934 553 K CA -0.249 56.110 56.287 0.120 0.000 0.802 553 K CB 1.094 33.673 32.500 0.132 0.000 1.295 553 K HN 0.872 nan 8.250 nan 0.000 0.433 554 H N 0.904 120.128 119.070 0.257 0.000 2.548 554 H HA 0.465 5.021 4.556 -0.001 0.000 0.331 554 H C -0.188 175.367 175.328 0.380 0.000 1.093 554 H CA 0.063 56.310 56.048 0.331 0.000 1.367 554 H CB 1.106 31.173 29.762 0.508 0.000 1.455 554 H HN 0.404 nan 8.280 nan 0.000 0.519 555 V N 1.153 121.339 119.914 0.452 0.000 2.914 555 V HA 0.769 4.888 4.120 -0.001 0.000 0.314 555 V C -0.747 175.694 176.094 0.579 0.000 1.084 555 V CA -0.859 61.693 62.300 0.419 0.000 0.963 555 V CB 2.063 33.864 31.823 -0.037 0.000 1.025 555 V HN 0.478 nan 8.190 nan 0.000 0.432 556 V N 3.852 124.130 119.914 0.607 0.000 2.709 556 V HA 0.648 4.768 4.120 -0.001 0.000 0.308 556 V C -0.484 175.978 176.094 0.613 0.000 1.062 556 V CA -0.359 62.269 62.300 0.545 0.000 0.901 556 V CB 1.854 33.854 31.823 0.294 0.000 1.003 556 V HN 0.950 nan 8.190 nan 0.000 0.425 557 M N 4.010 123.937 119.600 0.544 0.000 2.436 557 M HA 0.514 4.994 4.480 -0.001 0.000 0.331 557 M C -0.579 176.000 176.300 0.465 0.000 1.135 557 M CA -0.297 55.296 55.300 0.487 0.000 0.987 557 M CB 1.381 34.208 32.600 0.377 0.000 1.687 557 M HN 0.767 nan 8.290 nan 0.000 0.445 558 H N 1.859 121.154 119.070 0.374 0.000 2.524 558 H HA 0.510 5.065 4.556 -0.001 0.000 0.353 558 H C -1.444 174.013 175.328 0.215 0.000 1.136 558 H CA -0.597 55.637 56.048 0.310 0.000 1.193 558 H CB 1.295 31.313 29.762 0.427 0.000 1.558 558 H HN 0.652 nan 8.280 nan 0.000 0.515 559 N N 2.976 121.411 118.700 -0.442 0.000 2.524 559 N HA 0.047 4.787 4.740 -0.001 0.000 0.261 559 N C 0.332 175.514 175.510 -0.547 0.000 0.998 559 N CA -0.294 52.529 53.050 -0.378 0.000 0.915 559 N CB 1.669 40.036 38.487 -0.200 0.000 1.187 559 N HN 0.642 nan 8.380 nan 0.000 0.507 560 T N 2.809 117.114 114.554 -0.414 0.000 3.035 560 T HA 0.157 4.507 4.350 -0.001 0.000 0.268 560 T C 0.672 175.334 174.700 -0.063 0.000 1.109 560 T CA 0.633 62.645 62.100 -0.146 0.000 1.119 560 T CB -0.228 68.689 68.868 0.082 0.000 0.900 560 T HN 0.420 nan 8.240 nan 0.000 0.503 561 L N 2.577 123.705 121.223 -0.158 0.000 2.395 561 L HA 0.337 4.677 4.340 -0.001 0.000 0.269 561 L C -1.643 175.077 176.870 -0.251 0.000 1.133 561 L CA -2.106 52.604 54.840 -0.216 0.000 0.812 561 L CB 0.689 42.488 42.059 -0.434 0.000 1.125 561 L HN -0.082 nan 8.230 nan 0.000 0.452 562 P HA 0.039 nan 4.420 nan 0.000 0.243 562 P C -0.969 176.354 177.300 0.039 0.000 1.668 562 P CA 0.401 63.492 63.100 -0.015 0.000 0.898 562 P CB -0.421 31.328 31.700 0.081 0.000 1.637 563 H N -3.393 115.693 119.070 0.026 0.000 3.037 563 H HA 0.232 4.787 4.556 -0.001 0.000 0.355 563 H C -1.075 174.276 175.328 0.038 0.000 1.263 563 H CA -1.089 54.997 56.048 0.064 0.000 1.129 563 H CB -0.055 29.772 29.762 0.109 0.000 1.861 563 H HN -0.136 nan 8.280 nan 0.000 0.546 564 W N 1.741 123.166 121.300 0.209 0.000 2.257 564 W HA 0.222 4.881 4.660 -0.001 0.000 0.337 564 W C 0.885 177.522 176.519 0.196 0.000 1.321 564 W CA 0.439 57.871 57.345 0.144 0.000 1.267 564 W CB 0.428 29.956 29.460 0.115 0.000 1.187 564 W HN 0.493 nan 8.180 nan 0.000 0.565 565 R N 2.251 122.957 120.500 0.343 0.000 2.673 565 R HA 0.327 4.666 4.340 -0.001 0.000 0.281 565 R C -1.020 175.419 176.300 0.231 0.000 0.991 565 R CA -0.660 55.597 56.100 0.262 0.000 0.896 565 R CB 1.453 31.831 30.300 0.130 0.000 1.201 565 R HN 0.480 nan 8.270 nan 0.000 0.457 566 E N 2.443 122.753 120.200 0.184 0.000 2.183 566 E HA 0.243 4.592 4.350 -0.001 0.000 0.271 566 E C -1.340 175.308 176.600 0.081 0.000 0.919 566 E CA -0.777 55.709 56.400 0.144 0.000 0.781 566 E CB 2.474 32.252 29.700 0.130 0.000 1.140 566 E HN 0.400 nan 8.360 nan 0.000 0.402 567 Q N 3.255 123.080 119.800 0.041 0.000 2.353 567 Q HA 0.269 4.608 4.340 -0.001 0.000 0.275 567 Q C -1.458 174.500 176.000 -0.070 0.000 1.029 567 Q CA -0.629 55.167 55.803 -0.012 0.000 0.848 567 Q CB 1.535 30.255 28.738 -0.029 0.000 1.390 567 Q HN 0.562 nan 8.270 nan 0.000 0.401 568 L N 3.400 124.576 121.223 -0.078 0.000 2.455 568 L HA 0.284 4.624 4.340 -0.001 0.000 0.272 568 L C 0.227 176.962 176.870 -0.225 0.000 1.174 568 L CA -0.254 54.503 54.840 -0.139 0.000 0.869 568 L CB 0.538 42.551 42.059 -0.076 0.000 1.130 568 L HN 0.470 nan 8.230 nan 0.000 0.474 569 V N -0.248 119.427 119.914 -0.399 0.000 2.864 569 V HA 0.706 4.826 4.120 -0.001 0.000 0.314 569 V C -0.832 174.986 176.094 -0.460 0.000 1.073 569 V CA -0.868 61.157 62.300 -0.459 0.000 0.956 569 V CB 2.154 33.661 31.823 -0.526 0.000 1.023 569 V HN 0.789 nan 8.190 nan 0.000 0.435 570 D N 1.292 121.413 120.400 -0.464 0.000 2.601 570 D HA 0.611 5.251 4.640 -0.001 0.000 0.230 570 D C -1.425 174.557 176.300 -0.529 0.000 1.106 570 D CA -0.395 53.439 54.000 -0.276 0.000 0.873 570 D CB 2.442 43.185 40.800 -0.094 0.000 1.515 570 D HN 0.445 nan 8.370 nan 0.000 0.468 571 F N -0.071 119.955 119.950 0.126 0.000 2.588 571 F HA 0.341 4.868 4.527 -0.001 0.000 0.314 571 F C -0.528 175.463 175.800 0.319 0.000 1.069 571 F CA -1.019 57.077 58.000 0.160 0.000 0.931 571 F CB 1.619 40.748 39.000 0.216 0.000 1.260 571 F HN 0.165 nan 8.300 nan 0.000 0.465 572 Y N 2.144 122.601 120.300 0.262 0.000 2.304 572 Y HA 0.577 5.126 4.550 -0.001 0.000 0.328 572 Y C 0.167 176.190 175.900 0.205 0.000 1.123 572 Y CA -1.459 56.747 58.100 0.176 0.000 1.218 572 Y CB 1.075 39.590 38.460 0.092 0.000 1.207 572 Y HN 0.352 nan 8.280 nan 0.000 0.495 573 V N -0.441 119.667 119.914 0.324 0.000 3.007 573 V HA 0.528 4.647 4.120 -0.001 0.000 0.311 573 V C 0.384 176.626 176.094 0.246 0.000 1.120 573 V CA -0.641 61.818 62.300 0.265 0.000 0.980 573 V CB 1.647 33.625 31.823 0.259 0.000 1.033 573 V HN 0.663 nan 8.190 nan 0.000 0.429 574 S N 0.465 116.292 115.700 0.211 0.000 2.561 574 S HA 0.168 4.637 4.470 -0.001 0.000 0.225 574 S C 0.796 175.576 174.600 0.301 0.000 0.977 574 S CA 0.674 58.996 58.200 0.204 0.000 0.926 574 S CB -0.165 63.118 63.200 0.138 0.000 0.769 574 S HN 1.491 nan 8.310 nan 0.000 0.533 575 S N 1.106 116.960 115.700 0.257 0.000 2.549 575 S HA 0.597 5.066 4.470 -0.001 0.000 0.280 575 S C -2.627 171.843 174.600 -0.217 0.000 1.109 575 S CA -1.511 56.709 58.200 0.033 0.000 0.905 575 S CB 1.935 65.181 63.200 0.076 0.000 1.081 575 S HN 0.012 nan 8.310 nan 0.000 0.477 576 P HA 0.191 nan 4.420 nan 0.000 0.241 576 P C -0.243 176.810 177.300 -0.412 0.000 1.191 576 P CA 0.352 63.018 63.100 -0.723 0.000 0.771 576 P CB -0.190 30.814 31.700 -1.160 0.000 0.929 577 F N 0.568 120.529 119.950 0.019 0.000 2.441 577 F HA 0.247 4.773 4.527 -0.001 0.000 0.337 577 F C 0.457 176.299 175.800 0.070 0.000 1.182 577 F CA -1.066 56.975 58.000 0.067 0.000 1.279 577 F CB -0.026 38.975 39.000 0.002 0.000 1.614 577 F HN -0.338 nan 8.300 nan 0.000 0.574 578 V N 0.954 120.989 119.914 0.202 0.000 2.604 578 V HA 0.601 4.720 4.120 -0.001 0.000 0.305 578 V C -0.182 175.975 176.094 0.105 0.000 1.043 578 V CA -0.892 61.490 62.300 0.137 0.000 0.888 578 V CB 2.220 34.116 31.823 0.121 0.000 0.995 578 V HN 0.492 nan 8.190 nan 0.000 0.429 579 S N 3.380 119.125 115.700 0.075 0.000 2.537 579 S HA 0.852 5.322 4.470 -0.001 0.000 0.301 579 S C -0.851 173.737 174.600 -0.020 0.000 1.092 579 S CA -0.741 57.488 58.200 0.048 0.000 1.048 579 S CB 1.934 65.174 63.200 0.067 0.000 1.053 579 S HN 0.424 nan 8.310 nan 0.000 0.501 580 V N 2.462 122.332 119.914 -0.074 0.000 2.513 580 V HA 0.772 4.891 4.120 -0.001 0.000 0.299 580 V C 0.237 176.254 176.094 -0.128 0.000 1.035 580 V CA -0.451 61.722 62.300 -0.213 0.000 0.889 580 V CB 1.489 32.988 31.823 -0.541 0.000 0.988 580 V HN 1.191 nan 8.190 nan 0.000 0.440 581 T N -0.320 114.181 114.554 -0.088 0.000 2.906 581 T HA 0.632 4.981 4.350 -0.001 0.000 0.295 581 T C -0.751 173.958 174.700 0.015 0.000 1.075 581 T CA -0.927 61.151 62.100 -0.037 0.000 1.005 581 T CB 2.006 70.844 68.868 -0.050 0.000 1.136 581 T HN 0.707 nan 8.240 nan 0.000 0.498 582 D N 0.500 120.882 120.400 -0.031 0.000 2.433 582 D HA 0.183 4.822 4.640 -0.001 0.000 0.255 582 D C 0.744 176.947 176.300 -0.162 0.000 1.226 582 D CA -1.073 52.794 54.000 -0.221 0.000 1.015 582 D CB 0.295 40.952 40.800 -0.238 0.000 1.091 582 D HN 0.338 nan 8.370 nan 0.000 0.527 583 L N -0.687 120.425 121.223 -0.185 0.000 2.627 583 L HA 0.318 4.658 4.340 -0.001 0.000 0.232 583 L C 1.502 178.319 176.870 -0.088 0.000 1.150 583 L CA 0.433 55.207 54.840 -0.109 0.000 0.917 583 L CB -0.756 41.249 42.059 -0.091 0.000 1.104 583 L HN 0.628 nan 8.230 nan 0.000 0.445 584 A N -1.192 121.577 122.820 -0.086 0.000 2.460 584 A HA 0.180 4.500 4.320 -0.001 0.000 0.258 584 A C 1.111 178.662 177.584 -0.055 0.000 1.300 584 A CA -0.067 51.932 52.037 -0.063 0.000 0.913 584 A CB -0.387 18.580 19.000 -0.056 0.000 1.031 584 A HN 0.423 nan 8.150 nan 0.000 0.512 585 N N 0.343 119.007 118.700 -0.060 0.000 2.741 585 N HA -0.133 4.607 4.740 -0.001 0.000 0.251 585 N C -0.946 174.534 175.510 -0.049 0.000 1.112 585 N CA 0.670 53.689 53.050 -0.051 0.000 0.750 585 N CB -1.264 37.200 38.487 -0.039 0.000 1.119 585 N HN 0.604 nan 8.380 nan 0.000 0.561 586 N N 1.442 120.109 118.700 -0.055 0.000 2.497 586 N HA 0.232 4.971 4.740 -0.001 0.000 0.271 586 N C -2.375 173.087 175.510 -0.080 0.000 1.142 586 N CA -0.660 52.353 53.050 -0.062 0.000 0.965 586 N CB 0.598 39.056 38.487 -0.049 0.000 1.077 586 N HN 0.155 nan 8.380 nan 0.000 0.462 587 P HA 0.067 nan 4.420 nan 0.000 0.269 587 P C -0.476 176.719 177.300 -0.175 0.000 1.209 587 P CA -0.082 62.885 63.100 -0.221 0.000 0.776 587 P CB 0.729 32.084 31.700 -0.575 0.000 0.876 588 V N 2.239 122.091 119.914 -0.104 0.000 2.487 588 V HA 0.218 4.338 4.120 -0.001 0.000 0.298 588 V C 0.297 176.394 176.094 0.005 0.000 1.028 588 V CA -0.805 61.482 62.300 -0.021 0.000 0.860 588 V CB 1.386 33.214 31.823 0.009 0.000 0.991 588 V HN 0.550 nan 8.190 nan 0.000 0.427 589 E N 3.726 123.960 120.200 0.056 0.000 2.415 589 E HA 0.493 4.842 4.350 -0.001 0.000 0.263 589 E C -0.210 176.464 176.600 0.124 0.000 0.995 589 E CA 0.084 56.545 56.400 0.102 0.000 0.915 589 E CB 0.915 30.677 29.700 0.103 0.000 0.951 589 E HN 0.889 nan 8.360 nan 0.000 0.449 590 A N 4.222 127.105 122.820 0.104 0.000 2.527 590 A HA 0.455 4.775 4.320 -0.001 0.000 0.293 590 A C -1.292 176.317 177.584 0.041 0.000 1.117 590 A CA -0.757 51.353 52.037 0.122 0.000 0.723 590 A CB 1.920 20.988 19.000 0.113 0.000 1.313 590 A HN 0.703 nan 8.150 nan 0.000 0.411 591 Q N 0.783 120.613 119.800 0.051 0.000 2.323 591 Q HA 0.640 4.979 4.340 -0.001 0.000 0.271 591 Q C -1.972 174.023 176.000 -0.008 0.000 1.048 591 Q CA -0.551 55.237 55.803 -0.024 0.000 0.792 591 Q CB 2.138 30.898 28.738 0.035 0.000 1.280 591 Q HN 0.579 nan 8.270 nan 0.000 0.441 592 V N 2.512 122.347 119.914 -0.131 0.000 2.547 592 V HA 0.622 4.741 4.120 -0.001 0.000 0.299 592 V C -0.460 175.798 176.094 0.273 0.000 1.040 592 V CA -0.320 62.013 62.300 0.055 0.000 0.913 592 V CB 1.814 33.624 31.823 -0.022 0.000 0.992 592 V HN 0.851 nan 8.190 nan 0.000 0.449 593 S N 4.422 120.301 115.700 0.299 0.000 2.595 593 S HA 0.661 5.130 4.470 -0.001 0.000 0.281 593 S C -2.810 171.781 174.600 -0.015 0.000 1.117 593 S CA -1.075 57.252 58.200 0.213 0.000 0.873 593 S CB 2.480 65.780 63.200 0.166 0.000 1.108 593 S HN 0.530 nan 8.310 nan 0.000 0.477 594 P HA 0.239 nan 4.420 nan 0.000 0.273 594 P C -1.123 175.826 177.300 -0.584 0.000 1.250 594 P CA -0.483 62.196 63.100 -0.701 0.000 0.793 594 P CB 0.388 31.311 31.700 -1.295 0.000 1.011 595 V N 1.714 121.219 119.914 -0.681 0.000 2.364 595 V HA 0.200 4.320 4.120 -0.001 0.000 0.272 595 V C -0.572 175.198 176.094 -0.539 0.000 1.036 595 V CA -0.144 61.838 62.300 -0.530 0.000 0.880 595 V CB -0.224 31.191 31.823 -0.679 0.000 0.991 595 V HN 0.519 nan 8.190 nan 0.000 0.460 596 W N 3.678 124.904 121.300 -0.124 0.000 2.478 596 W HA 0.638 5.298 4.660 -0.001 0.000 0.318 596 W C 0.400 176.880 176.519 -0.066 0.000 1.062 596 W CA -0.383 56.885 57.345 -0.129 0.000 1.210 596 W CB 1.923 31.317 29.460 -0.110 0.000 1.325 596 W HN 0.593 nan 8.180 nan 0.000 0.496 597 S N 1.415 117.201 115.700 0.144 0.000 2.568 597 S HA 0.666 5.135 4.470 -0.001 0.000 0.293 597 S C -1.448 173.064 174.600 -0.148 0.000 1.089 597 S CA -0.934 57.309 58.200 0.072 0.000 0.945 597 S CB 1.463 64.701 63.200 0.063 0.000 1.077 597 S HN 0.418 nan 8.310 nan 0.000 0.485 598 W N 0.940 122.049 121.300 -0.320 0.000 2.606 598 W HA 0.609 5.268 4.660 -0.001 0.000 0.332 598 W C 0.183 176.322 176.519 -0.635 0.000 1.052 598 W CA -0.196 56.970 57.345 -0.298 0.000 1.223 598 W CB 1.220 30.579 29.460 -0.168 0.000 1.383 598 W HN 0.643 nan 8.180 nan 0.000 0.524 599 H N 1.100 120.206 119.070 0.060 0.000 2.894 599 H HA 0.088 4.643 4.556 -0.001 0.000 0.367 599 H C -1.150 174.167 175.328 -0.018 0.000 1.144 599 H CA -0.936 55.096 56.048 -0.027 0.000 1.180 599 H CB 1.928 31.608 29.762 -0.136 0.000 1.758 599 H HN 0.342 nan 8.280 nan 0.000 0.541 600 H N 2.185 121.283 119.070 0.048 0.000 3.109 600 H HA 0.018 4.573 4.556 -0.001 0.000 0.266 600 H C -0.375 174.969 175.328 0.026 0.000 1.334 600 H CA -0.443 55.624 56.048 0.032 0.000 1.456 600 H CB -0.311 29.471 29.762 0.034 0.000 1.587 600 H HN 0.452 nan 8.280 nan 0.000 0.500 601 D N 3.573 123.955 120.400 -0.030 0.000 2.489 601 D HA -0.067 4.573 4.640 -0.001 0.000 0.237 601 D C 1.089 177.321 176.300 -0.114 0.000 1.212 601 D CA 0.323 54.322 54.000 -0.002 0.000 1.058 601 D CB -0.027 40.994 40.800 0.368 0.000 1.098 601 D HN 0.704 nan 8.370 nan 0.000 0.509 602 T N 0.410 114.797 114.554 -0.278 0.000 3.077 602 T HA -0.128 4.221 4.350 -0.001 0.000 0.269 602 T C 1.819 176.454 174.700 -0.108 0.000 1.146 602 T CA 0.147 62.070 62.100 -0.294 0.000 1.091 602 T CB 0.015 68.726 68.868 -0.261 0.000 0.892 602 T HN 0.206 nan 8.240 nan 0.000 0.533 603 L N 2.458 123.651 121.223 -0.049 0.000 1.993 603 L HA 0.031 4.371 4.340 -0.001 0.000 0.206 603 L C 3.075 179.944 176.870 -0.002 0.000 1.074 603 L CA 2.440 57.270 54.840 -0.016 0.000 0.746 603 L CB -1.937 40.121 42.059 -0.002 0.000 0.896 603 L HN 0.581 nan 8.230 nan 0.000 0.435 604 T N -3.645 110.923 114.554 0.024 0.000 3.148 604 T HA -0.036 4.314 4.350 -0.001 0.000 0.253 604 T C 0.819 175.549 174.700 0.051 0.000 1.134 604 T CA -0.168 61.950 62.100 0.029 0.000 1.051 604 T CB -0.040 68.838 68.868 0.016 0.000 0.959 604 T HN 0.148 nan 8.240 nan 0.000 0.525 605 K N 2.018 122.442 120.400 0.039 0.000 3.035 605 K HA -0.131 4.189 4.320 -0.001 0.000 0.262 605 K C 0.172 176.867 176.600 0.158 0.000 1.024 605 K CA 1.315 57.643 56.287 0.068 0.000 0.748 605 K CB -2.783 29.757 32.500 0.067 0.000 1.247 605 K HN 0.897 nan 8.250 nan 0.000 0.482 606 T N -2.749 111.929 114.554 0.207 0.000 2.924 606 T HA 0.759 5.108 4.350 -0.001 0.000 0.291 606 T C 0.468 175.384 174.700 0.359 0.000 1.045 606 T CA -1.049 61.214 62.100 0.271 0.000 1.015 606 T CB 2.060 71.076 68.868 0.248 0.000 1.103 606 T HN 0.139 nan 8.240 nan 0.000 0.496 607 I N 3.625 124.390 120.570 0.325 0.000 2.301 607 I HA 0.391 4.561 4.170 -0.001 0.000 0.292 607 I C 0.045 176.419 176.117 0.429 0.000 1.046 607 I CA -0.435 61.059 61.300 0.322 0.000 1.282 607 I CB 0.033 38.161 38.000 0.212 0.000 1.409 607 I HN 0.856 nan 8.210 nan 0.000 0.484 608 H N 6.427 125.673 119.070 0.293 0.000 2.928 608 H HA 0.687 5.242 4.556 -0.001 0.000 0.371 608 H C -3.090 172.035 175.328 -0.340 0.000 1.186 608 H CA -2.693 53.358 56.048 0.005 0.000 1.134 608 H CB 1.612 31.373 29.762 -0.002 0.000 1.824 608 H HN 0.145 nan 8.280 nan 0.000 0.554 609 P HA 0.190 nan 4.420 nan 0.000 0.286 609 P C -0.998 176.292 177.300 -0.016 0.000 1.261 609 P CA -0.622 61.981 63.100 -0.828 0.000 0.821 609 P CB 1.732 32.653 31.700 -1.299 0.000 1.013 610 Q N 0.711 120.598 119.800 0.145 0.000 2.345 610 Q HA 0.572 4.912 4.340 -0.001 0.000 0.268 610 Q C 0.174 176.262 176.000 0.147 0.000 1.054 610 Q CA -0.743 55.186 55.803 0.210 0.000 0.835 610 Q CB 2.791 31.598 28.738 0.113 0.000 1.339 610 Q HN 0.544 nan 8.270 nan 0.000 0.447 611 G N 0.640 109.375 108.800 -0.109 0.000 2.367 611 G HA2 0.298 4.258 3.960 -0.001 0.000 0.314 611 G HA3 0.298 4.258 3.960 -0.001 0.000 0.314 611 G C -0.317 174.316 174.900 -0.445 0.000 1.130 611 G CA -0.317 44.359 45.100 -0.707 0.000 0.864 611 G HN 0.415 nan 8.290 nan 0.000 0.486 612 S N -0.398 114.985 115.700 -0.528 0.000 2.562 612 S HA 0.277 4.746 4.470 -0.001 0.000 0.281 612 S C 1.621 175.968 174.600 -0.421 0.000 1.333 612 S CA 0.294 58.233 58.200 -0.435 0.000 1.052 612 S CB 0.675 63.561 63.200 -0.523 0.000 0.884 612 S HN 0.897 nan 8.310 nan 0.000 0.506 613 T N -0.032 114.351 114.554 -0.285 0.000 3.069 613 T HA 0.147 4.497 4.350 -0.001 0.000 0.252 613 T C 1.126 175.723 174.700 -0.172 0.000 1.053 613 T CA 0.486 62.482 62.100 -0.173 0.000 0.964 613 T CB -0.174 68.646 68.868 -0.080 0.000 1.005 613 T HN 0.694 nan 8.240 nan 0.000 0.532 614 T N -1.377 112.978 114.554 -0.332 0.000 2.969 614 T HA 0.329 4.678 4.350 -0.001 0.000 0.258 614 T C 0.241 174.717 174.700 -0.373 0.000 0.962 614 T CA -0.495 61.465 62.100 -0.233 0.000 0.903 614 T CB 0.157 68.942 68.868 -0.138 0.000 1.177 614 T HN 0.643 nan 8.240 nan 0.000 0.511 615 K N -0.130 119.812 120.400 -0.763 0.000 2.512 615 K HA 0.676 4.995 4.320 -0.001 0.000 0.263 615 K C -2.039 173.788 176.600 -1.288 0.000 0.966 615 K CA -1.044 54.782 56.287 -0.769 0.000 0.851 615 K CB 1.676 33.937 32.500 -0.400 0.000 1.395 615 K HN 0.115 nan 8.250 nan 0.000 0.440 616 Y N -0.327 119.868 120.300 -0.175 0.000 2.609 616 Y HA 0.487 5.036 4.550 -0.001 0.000 0.342 616 Y C -0.426 175.434 175.900 -0.065 0.000 1.058 616 Y CA -1.172 56.843 58.100 -0.142 0.000 1.055 616 Y CB 2.243 40.696 38.460 -0.011 0.000 1.292 616 Y HN 0.343 nan 8.280 nan 0.000 0.476 617 R N 1.591 122.179 120.500 0.148 0.000 2.338 617 R HA 0.582 4.922 4.340 -0.001 0.000 0.317 617 R C -1.338 175.118 176.300 0.260 0.000 0.968 617 R CA -0.670 55.572 56.100 0.237 0.000 0.849 617 R CB 1.812 32.233 30.300 0.201 0.000 1.128 617 R HN 0.651 nan 8.270 nan 0.000 0.448 618 I N 4.314 125.070 120.570 0.311 0.000 2.377 618 I HA 0.423 4.592 4.170 -0.001 0.000 0.293 618 I C -1.052 175.259 176.117 0.322 0.000 0.987 618 I CA -0.747 60.732 61.300 0.298 0.000 1.185 618 I CB 1.008 39.199 38.000 0.319 0.000 1.341 618 I HN 0.538 nan 8.210 nan 0.000 0.455 619 I N 8.128 128.854 120.570 0.259 0.000 2.545 619 I HA 0.527 4.696 4.170 -0.001 0.000 0.292 619 I C -1.036 175.237 176.117 0.259 0.000 1.040 619 I CA -0.505 60.893 61.300 0.163 0.000 1.068 619 I CB 1.754 39.806 38.000 0.087 0.000 1.251 619 I HN 0.502 nan 8.210 nan 0.000 0.424 620 F N 2.644 122.624 119.950 0.051 0.000 2.713 620 F HA 0.569 5.096 4.527 -0.001 0.000 0.311 620 F C -1.056 174.734 175.800 -0.017 0.000 1.141 620 F CA -1.309 56.700 58.000 0.015 0.000 0.939 620 F CB 1.246 40.245 39.000 -0.001 0.000 1.325 620 F HN 0.204 nan 8.300 nan 0.000 0.453 621 K N 1.950 122.444 120.400 0.157 0.000 2.312 621 K HA 0.728 5.047 4.320 -0.001 0.000 0.287 621 K C -0.656 176.000 176.600 0.094 0.000 1.062 621 K CA -0.335 55.985 56.287 0.055 0.000 0.934 621 K CB 0.852 33.414 32.500 0.104 0.000 1.027 621 K HN 0.933 nan 8.250 nan 0.000 0.478 622 A N 4.708 127.493 122.820 -0.058 0.000 2.301 622 A HA 0.405 4.724 4.320 -0.001 0.000 0.312 622 A C -0.646 177.075 177.584 0.228 0.000 1.182 622 A CA -0.680 51.382 52.037 0.041 0.000 0.826 622 A CB 0.695 19.671 19.000 -0.040 0.000 1.134 622 A HN 0.872 nan 8.150 nan 0.000 0.501 623 R N 2.103 122.855 120.500 0.420 0.000 2.393 623 R HA 0.625 4.964 4.340 -0.001 0.000 0.315 623 R C -1.812 174.761 176.300 0.454 0.000 0.952 623 R CA -0.238 56.101 56.100 0.398 0.000 0.842 623 R CB 1.365 31.887 30.300 0.371 0.000 1.163 623 R HN 0.502 nan 8.270 nan 0.000 0.450 624 V N 6.187 126.319 119.914 0.363 0.000 2.709 624 V HA 0.451 4.570 4.120 -0.001 0.000 0.308 624 V C -2.289 173.683 176.094 -0.205 0.000 1.062 624 V CA -2.284 60.114 62.300 0.163 0.000 0.901 624 V CB 2.008 33.900 31.823 0.115 0.000 1.003 624 V HN 0.794 nan 8.190 nan 0.000 0.425 625 P HA 0.221 nan 4.420 nan 0.000 0.271 625 P C -2.758 174.039 177.300 -0.839 0.000 1.244 625 P CA -1.319 60.860 63.100 -1.536 0.000 0.793 625 P CB -0.197 30.843 31.700 -1.099 0.000 0.984 626 P HA 0.118 nan 4.420 nan 0.000 0.267 626 P C 0.073 177.342 177.300 -0.053 0.000 1.205 626 P CA 0.487 63.395 63.100 -0.320 0.000 0.765 626 P CB -0.198 31.394 31.700 -0.179 0.000 0.828 627 M N 0.587 120.187 119.600 0.001 0.000 2.169 627 M HA -0.217 4.263 4.480 -0.001 0.000 0.196 627 M C 0.570 177.066 176.300 0.327 0.000 0.355 627 M CA 0.969 56.404 55.300 0.225 0.000 0.396 627 M CB -2.012 30.814 32.600 0.376 0.000 1.125 627 M HN 0.615 nan 8.290 nan 0.000 0.939 628 G N -0.277 108.573 108.800 0.083 0.000 3.021 628 G HA2 0.924 4.883 3.960 -0.001 0.000 0.290 628 G HA3 0.924 4.883 3.960 -0.001 0.000 0.290 628 G C -1.457 173.568 174.900 0.210 0.000 1.291 628 G CA -0.982 44.174 45.100 0.093 0.000 0.834 628 G HN 0.193 nan 8.290 nan 0.000 0.564 629 L N -0.452 120.881 121.223 0.184 0.000 2.409 629 L HA 0.807 5.146 4.340 -0.001 0.000 0.262 629 L C -0.296 176.676 176.870 0.169 0.000 0.992 629 L CA -1.037 53.945 54.840 0.236 0.000 0.817 629 L CB 2.453 44.656 42.059 0.240 0.000 1.350 629 L HN 0.800 nan 8.230 nan 0.000 0.411 630 A N 0.759 123.724 122.820 0.241 0.000 2.455 630 A HA 0.822 5.141 4.320 -0.001 0.000 0.300 630 A C -0.808 176.952 177.584 0.294 0.000 1.040 630 A CA -0.457 51.712 52.037 0.220 0.000 0.697 630 A CB 1.792 20.972 19.000 0.300 0.000 1.265 630 A HN 0.556 nan 8.150 nan 0.000 0.407 631 T N 2.056 116.696 114.554 0.144 0.000 2.824 631 T HA 0.640 4.989 4.350 -0.001 0.000 0.280 631 T C -1.046 173.654 174.700 0.000 0.000 0.995 631 T CA 0.229 62.474 62.100 0.243 0.000 1.009 631 T CB 0.360 69.361 68.868 0.222 0.000 0.955 631 T HN 0.436 nan 8.240 nan 0.000 0.452 632 Y N 0.446 120.901 120.300 0.258 0.000 2.633 632 Y HA 0.685 5.234 4.550 -0.001 0.000 0.339 632 Y C -0.271 175.652 175.900 0.039 0.000 1.045 632 Y CA -1.128 57.043 58.100 0.119 0.000 1.098 632 Y CB 1.711 40.240 38.460 0.114 0.000 1.296 632 Y HN 0.305 nan 8.280 nan 0.000 0.494 633 V N 3.040 122.991 119.914 0.062 0.000 2.588 633 V HA 0.429 4.549 4.120 -0.001 0.000 0.304 633 V C -0.791 175.251 176.094 -0.087 0.000 1.042 633 V CA -0.964 61.285 62.300 -0.085 0.000 0.877 633 V CB 1.745 33.449 31.823 -0.199 0.000 0.996 633 V HN 0.494 nan 8.190 nan 0.000 0.425 634 L N 3.822 125.003 121.223 -0.071 0.000 2.295 634 L HA 0.731 5.071 4.340 -0.001 0.000 0.285 634 L C -0.064 176.798 176.870 -0.014 0.000 1.035 634 L CA -0.135 54.678 54.840 -0.045 0.000 0.806 634 L CB 1.877 43.929 42.059 -0.013 0.000 1.214 634 L HN 0.604 nan 8.230 nan 0.000 0.426 635 T N 3.363 117.921 114.554 0.006 0.000 2.881 635 T HA 0.457 4.806 4.350 -0.001 0.000 0.290 635 T C -0.349 174.385 174.700 0.058 0.000 1.000 635 T CA -0.396 61.718 62.100 0.024 0.000 0.978 635 T CB 2.314 71.187 68.868 0.008 0.000 0.997 635 T HN 0.362 nan 8.240 nan 0.000 0.443 636 I N 3.092 123.705 120.570 0.071 0.000 2.662 636 I HA 0.541 4.710 4.170 -0.001 0.000 0.291 636 I C 0.280 176.452 176.117 0.091 0.000 1.046 636 I CA 0.365 61.726 61.300 0.101 0.000 1.361 636 I CB 0.731 38.792 38.000 0.102 0.000 1.429 636 I HN 0.823 nan 8.210 nan 0.000 0.558 637 S N 3.072 118.844 115.700 0.120 0.000 2.661 637 S HA 0.393 4.863 4.470 -0.001 0.000 0.285 637 S C -0.188 174.435 174.600 0.037 0.000 1.138 637 S CA -0.552 57.687 58.200 0.064 0.000 0.855 637 S CB 1.524 64.751 63.200 0.046 0.000 1.136 637 S HN 0.672 nan 8.310 nan 0.000 0.484 638 D N 0.241 120.601 120.400 -0.067 0.000 2.348 638 D HA 0.139 4.779 4.640 -0.001 0.000 0.211 638 D C 0.885 176.893 176.300 -0.488 0.000 0.998 638 D CA 0.457 54.360 54.000 -0.160 0.000 0.873 638 D CB -0.231 40.505 40.800 -0.108 0.000 0.925 638 D HN 0.591 nan 8.370 nan 0.000 0.524 639 S N -1.321 114.053 115.700 -0.543 0.000 2.794 639 S HA 0.390 4.860 4.470 -0.001 0.000 0.299 639 S C -0.413 173.858 174.600 -0.548 0.000 1.179 639 S CA -1.158 56.535 58.200 -0.844 0.000 0.838 639 S CB 1.706 64.649 63.200 -0.427 0.000 1.206 639 S HN -0.123 nan 8.310 nan 0.000 0.523 640 K N 1.949 122.160 120.400 -0.315 0.000 2.491 640 K HA 0.171 4.491 4.320 -0.001 0.000 0.279 640 K C -2.399 174.260 176.600 0.099 0.000 1.026 640 K CA -0.549 55.820 56.287 0.137 0.000 1.070 640 K CB -0.378 32.203 32.500 0.134 0.000 0.887 640 K HN 0.372 nan 8.250 nan 0.000 0.481 641 P HA 0.035 nan 4.420 nan 0.000 0.277 641 P C 0.406 177.725 177.300 0.032 0.000 1.240 641 P CA -0.369 62.788 63.100 0.095 0.000 0.798 641 P CB 0.809 32.587 31.700 0.129 0.000 0.979 642 E N 0.832 120.993 120.200 -0.065 0.000 2.097 642 E HA -0.253 4.096 4.350 -0.001 0.000 0.196 642 E C 0.205 176.596 176.600 -0.348 0.000 1.000 642 E CA 1.505 57.748 56.400 -0.261 0.000 0.804 642 E CB -0.084 29.348 29.700 -0.446 0.000 0.740 642 E HN 0.572 nan 8.360 nan 0.000 0.454 643 H N -1.395 117.693 119.070 0.030 0.000 2.528 643 H HA 0.257 4.812 4.556 -0.001 0.000 0.282 643 H C -0.837 174.494 175.328 0.005 0.000 1.097 643 H CA -0.041 56.019 56.048 0.020 0.000 1.121 643 H CB 1.061 30.834 29.762 0.017 0.000 1.590 643 H HN -0.125 nan 8.280 nan 0.000 0.553 644 T N 1.038 115.624 114.554 0.054 0.000 2.779 644 T HA 0.396 4.745 4.350 -0.001 0.000 0.280 644 T C 0.082 174.680 174.700 -0.171 0.000 0.987 644 T CA -0.849 61.216 62.100 -0.058 0.000 0.966 644 T CB 1.477 70.305 68.868 -0.066 0.000 0.933 644 T HN 0.340 nan 8.240 nan 0.000 0.442 645 S N 2.501 118.055 115.700 -0.245 0.000 2.718 645 S HA 0.770 5.239 4.470 -0.001 0.000 0.300 645 S C -1.345 172.908 174.600 -0.578 0.000 1.117 645 S CA -0.801 57.260 58.200 -0.232 0.000 1.002 645 S CB 0.837 64.013 63.200 -0.041 0.000 1.092 645 S HN 0.566 nan 8.310 nan 0.000 0.542 646 Y N -0.033 120.289 120.300 0.036 0.000 2.376 646 Y HA 0.650 5.199 4.550 -0.001 0.000 0.340 646 Y C 0.578 176.552 175.900 0.124 0.000 0.965 646 Y CA -0.757 57.363 58.100 0.033 0.000 1.078 646 Y CB 1.728 40.081 38.460 -0.179 0.000 1.193 646 Y HN 1.037 nan 8.280 nan 0.000 0.452 647 A N 1.978 125.008 122.820 0.350 0.000 2.407 647 A HA 0.498 4.817 4.320 -0.001 0.000 0.248 647 A C 0.179 177.966 177.584 0.339 0.000 1.082 647 A CA -0.359 51.856 52.037 0.296 0.000 0.785 647 A CB -0.081 19.082 19.000 0.271 0.000 1.020 647 A HN 0.753 nan 8.150 nan 0.000 0.489 648 S N 2.215 118.044 115.700 0.215 0.000 2.616 648 S HA 0.545 5.014 4.470 -0.001 0.000 0.277 648 S C -0.359 174.326 174.600 0.142 0.000 1.234 648 S CA -0.926 57.383 58.200 0.182 0.000 1.028 648 S CB 0.802 64.067 63.200 0.109 0.000 0.988 648 S HN 0.687 nan 8.310 nan 0.000 0.522 649 N N 0.620 119.386 118.700 0.110 0.000 2.225 649 N HA 0.553 5.293 4.740 -0.001 0.000 0.298 649 N C -1.882 173.564 175.510 -0.107 0.000 1.076 649 N CA -0.567 52.500 53.050 0.028 0.000 0.792 649 N CB 2.089 40.671 38.487 0.158 0.000 1.498 649 N HN 0.583 nan 8.380 nan 0.000 0.474 650 L N 2.265 123.376 121.223 -0.187 0.000 2.439 650 L HA 0.488 4.828 4.340 -0.001 0.000 0.270 650 L C -1.708 174.989 176.870 -0.289 0.000 0.972 650 L CA -0.616 54.081 54.840 -0.238 0.000 0.836 650 L CB 1.651 43.629 42.059 -0.136 0.000 1.255 650 L HN 0.393 nan 8.230 nan 0.000 0.404 651 L N 6.640 127.642 121.223 -0.369 0.000 2.280 651 L HA 0.511 4.851 4.340 -0.001 0.000 0.287 651 L C -1.325 175.518 176.870 -0.045 0.000 1.023 651 L CA -0.353 54.345 54.840 -0.237 0.000 0.819 651 L CB 1.240 43.156 42.059 -0.239 0.000 1.212 651 L HN 0.670 nan 8.230 nan 0.000 0.420 652 L N 7.281 128.494 121.223 -0.016 0.000 2.280 652 L HA 0.625 4.964 4.340 -0.001 0.000 0.287 652 L C -0.075 176.831 176.870 0.061 0.000 1.023 652 L CA -0.492 54.367 54.840 0.033 0.000 0.819 652 L CB 1.103 43.171 42.059 0.014 0.000 1.212 652 L HN 0.656 nan 8.230 nan 0.000 0.420 653 R N 2.327 122.876 120.500 0.081 0.000 2.833 653 R HA 0.351 4.690 4.340 -0.001 0.000 0.259 653 R C -1.785 174.553 176.300 0.063 0.000 1.047 653 R CA -1.039 55.106 56.100 0.075 0.000 0.916 653 R CB 1.309 31.658 30.300 0.081 0.000 1.259 653 R HN 0.281 nan 8.270 nan 0.000 0.482 654 K N 1.971 122.399 120.400 0.046 0.000 2.270 654 K HA 0.069 4.389 4.320 -0.001 0.000 0.276 654 K C -0.143 176.462 176.600 0.009 0.000 1.023 654 K CA 0.074 56.378 56.287 0.029 0.000 0.955 654 K CB 0.458 32.974 32.500 0.026 0.000 0.975 654 K HN 0.850 nan 8.250 nan 0.000 0.471 655 N N 0.909 119.603 118.700 -0.010 0.000 2.726 655 N HA -0.107 4.633 4.740 -0.001 0.000 0.253 655 N C -2.588 172.877 175.510 -0.075 0.000 1.059 655 N CA -0.005 53.021 53.050 -0.040 0.000 0.701 655 N CB -0.650 37.820 38.487 -0.029 0.000 0.899 655 N HN 0.393 nan 8.380 nan 0.000 0.548 656 P HA 0.249 nan 4.420 nan 0.000 0.274 656 P C -0.247 176.857 177.300 -0.327 0.000 1.231 656 P CA -0.037 62.947 63.100 -0.193 0.000 0.790 656 P CB 1.045 32.609 31.700 -0.227 0.000 0.951 657 T N -2.529 111.819 114.554 -0.342 0.000 2.930 657 T HA 0.487 4.836 4.350 -0.001 0.000 0.290 657 T C 0.266 174.725 174.700 -0.401 0.000 1.052 657 T CA -0.779 61.124 62.100 -0.328 0.000 1.017 657 T CB 0.698 69.453 68.868 -0.189 0.000 1.137 657 T HN 0.474 nan 8.240 nan 0.000 0.511 658 S N 0.834 116.370 115.700 -0.273 0.000 2.573 658 S HA 0.369 4.839 4.470 -0.001 0.000 0.277 658 S C -0.192 174.493 174.600 0.141 0.000 1.346 658 S CA -0.755 57.404 58.200 -0.069 0.000 1.034 658 S CB -0.363 62.827 63.200 -0.017 0.000 0.879 658 S HN 0.682 nan 8.310 nan 0.000 0.528 659 L N 2.849 124.275 121.223 0.338 0.000 2.454 659 L HA 0.398 4.738 4.340 -0.001 0.000 0.258 659 L C -2.300 174.676 176.870 0.177 0.000 1.025 659 L CA -1.817 53.186 54.840 0.271 0.000 0.901 659 L CB 1.672 43.972 42.059 0.403 0.000 1.210 659 L HN 0.601 nan 8.230 nan 0.000 0.457 660 P HA 0.192 nan 4.420 nan 0.000 0.275 660 P C -0.158 177.142 177.300 -0.000 0.000 1.228 660 P CA -0.200 62.935 63.100 0.058 0.000 0.786 660 P CB 1.580 33.301 31.700 0.035 0.000 0.927 661 L N 1.289 122.523 121.223 0.018 0.000 3.288 661 L HA 0.305 4.645 4.340 -0.001 0.000 0.293 661 L C 1.392 178.329 176.870 0.112 0.000 1.294 661 L CA -0.133 54.693 54.840 -0.023 0.000 1.006 661 L CB 0.025 42.047 42.059 -0.062 0.000 1.407 661 L HN 0.733 nan 8.230 nan 0.000 0.592 662 G N 0.834 109.684 108.800 0.083 0.000 2.591 662 G HA2 -0.402 3.558 3.960 -0.001 0.000 0.298 662 G HA3 -0.402 3.558 3.960 -0.001 0.000 0.298 662 G C 0.545 175.529 174.900 0.141 0.000 1.195 662 G CA 0.586 45.763 45.100 0.128 0.000 0.989 662 G HN 0.425 nan 8.290 nan 0.000 0.551 663 Q N -0.395 119.501 119.800 0.160 0.000 2.444 663 Q HA 0.204 4.544 4.340 -0.001 0.000 0.206 663 Q C 0.611 176.505 176.000 -0.177 0.000 0.948 663 Q CA -0.099 55.692 55.803 -0.020 0.000 0.946 663 Q CB 0.257 28.924 28.738 -0.118 0.000 1.027 663 Q HN 0.480 nan 8.270 nan 0.000 0.513 664 Y N 3.137 123.307 120.300 -0.217 0.000 2.810 664 Y HA -0.046 4.503 4.550 -0.001 0.000 0.332 664 Y C -1.473 174.298 175.900 -0.215 0.000 1.243 664 Y CA -1.383 56.549 58.100 -0.281 0.000 1.537 664 Y CB 0.836 39.266 38.460 -0.050 0.000 1.265 664 Y HN 0.068 nan 8.280 nan 0.000 0.572 665 P HA -0.008 nan 4.420 nan 0.000 0.253 665 P C -0.787 176.322 177.300 -0.319 0.000 1.260 665 P CA 0.580 63.397 63.100 -0.472 0.000 0.800 665 P CB 0.336 31.653 31.700 -0.639 0.000 1.162 666 E N 0.723 120.781 120.200 -0.235 0.000 2.263 666 E HA 0.182 4.531 4.350 -0.001 0.000 0.268 666 E C -0.982 175.732 176.600 0.190 0.000 0.884 666 E CA -0.723 55.680 56.400 0.006 0.000 0.766 666 E CB 1.479 31.196 29.700 0.028 0.000 1.196 666 E HN -0.111 nan 8.360 nan 0.000 0.416 667 D N 2.457 122.935 120.400 0.130 0.000 2.382 667 D HA 0.082 4.722 4.640 -0.001 0.000 0.245 667 D C 0.129 176.501 176.300 0.121 0.000 1.120 667 D CA -0.094 53.991 54.000 0.142 0.000 0.890 667 D CB 1.435 42.304 40.800 0.116 0.000 1.201 667 D HN 0.144 nan 8.370 nan 0.000 0.433 668 V N 2.536 122.509 119.914 0.098 0.000 2.655 668 V HA -0.031 4.089 4.120 -0.001 0.000 0.300 668 V C 0.693 176.626 176.094 -0.269 0.000 1.044 668 V CA 0.157 62.405 62.300 -0.087 0.000 1.095 668 V CB 0.646 32.389 31.823 -0.133 0.000 0.952 668 V HN 0.338 nan 8.190 nan 0.000 0.485 669 K N 3.226 123.413 120.400 -0.355 0.000 2.098 669 K HA 0.704 5.024 4.320 -0.001 0.000 0.258 669 K C -0.883 175.324 176.600 -0.654 0.000 0.973 669 K CA -0.236 55.883 56.287 -0.281 0.000 0.898 669 K CB 1.032 33.471 32.500 -0.101 0.000 1.057 669 K HN 0.398 nan 8.250 nan 0.000 0.447 670 F N -0.704 119.255 119.950 0.015 0.000 2.598 670 F HA 0.796 5.322 4.527 -0.001 0.000 0.327 670 F C 0.611 176.413 175.800 0.003 0.000 1.057 670 F CA -0.696 57.304 58.000 0.001 0.000 0.957 670 F CB 2.594 41.593 39.000 -0.002 0.000 1.278 670 F HN 0.494 nan 8.300 nan 0.000 0.484 671 G N 0.165 109.077 108.800 0.187 0.000 2.579 671 G HA2 0.377 4.336 3.960 -0.001 0.000 0.292 671 G HA3 0.377 4.336 3.960 -0.001 0.000 0.292 671 G C -2.201 172.752 174.900 0.088 0.000 1.484 671 G CA -0.861 44.303 45.100 0.105 0.000 0.813 671 G HN 0.374 nan 8.290 nan 0.000 0.515 672 D N 0.786 121.225 120.400 0.065 0.000 2.362 672 D HA 0.371 5.011 4.640 -0.001 0.000 0.242 672 D C -2.006 174.323 176.300 0.050 0.000 1.132 672 D CA -0.646 53.386 54.000 0.054 0.000 0.907 672 D CB 1.141 41.968 40.800 0.043 0.000 1.195 672 D HN -0.001 nan 8.370 nan 0.000 0.429 673 P HA 0.010 nan 4.420 nan 0.000 0.261 673 P C -0.363 176.964 177.300 0.046 0.000 1.173 673 P CA 0.547 63.676 63.100 0.048 0.000 0.760 673 P CB 0.333 32.064 31.700 0.052 0.000 0.783 674 R N 0.889 121.418 120.500 0.047 0.000 2.710 674 R HA 0.444 4.783 4.340 -0.001 0.000 0.270 674 R C -1.075 175.261 176.300 0.060 0.000 1.021 674 R CA -1.007 55.122 56.100 0.048 0.000 0.889 674 R CB 1.280 31.605 30.300 0.041 0.000 1.243 674 R HN 0.218 nan 8.270 nan 0.000 0.464 675 E N 1.798 122.035 120.200 0.061 0.000 2.392 675 E HA 0.224 4.574 4.350 -0.001 0.000 0.264 675 E C -0.028 176.623 176.600 0.085 0.000 1.024 675 E CA 0.007 56.454 56.400 0.078 0.000 0.903 675 E CB 0.877 30.610 29.700 0.054 0.000 0.963 675 E HN 0.446 nan 8.360 nan 0.000 0.432 676 I N -1.770 118.881 120.570 0.135 0.000 3.074 676 I HA 0.602 4.772 4.170 -0.001 0.000 0.310 676 I C -0.613 175.634 176.117 0.218 0.000 1.153 676 I CA -0.890 60.490 61.300 0.133 0.000 0.993 676 I CB 2.377 40.429 38.000 0.086 0.000 1.237 676 I HN 0.225 nan 8.210 nan 0.000 0.443 677 S N 3.428 119.233 115.700 0.174 0.000 2.538 677 S HA 0.843 5.312 4.470 -0.001 0.000 0.288 677 S C -1.158 173.552 174.600 0.184 0.000 1.108 677 S CA -0.548 57.766 58.200 0.191 0.000 0.971 677 S CB 1.142 64.406 63.200 0.107 0.000 1.041 677 S HN 0.632 nan 8.310 nan 0.000 0.483 678 L N 3.438 124.800 121.223 0.230 0.000 2.393 678 L HA 0.712 5.051 4.340 -0.001 0.000 0.260 678 L C -0.385 176.572 176.870 0.146 0.000 1.002 678 L CA -0.817 54.127 54.840 0.172 0.000 0.818 678 L CB 2.410 44.577 42.059 0.179 0.000 1.369 678 L HN 0.648 nan 8.230 nan 0.000 0.412 679 R N 1.481 122.044 120.500 0.105 0.000 2.533 679 R HA 0.679 5.019 4.340 -0.001 0.000 0.288 679 R C -2.047 174.296 176.300 0.071 0.000 1.039 679 R CA -0.484 55.666 56.100 0.084 0.000 0.909 679 R CB 2.291 32.633 30.300 0.069 0.000 1.195 679 R HN 0.411 nan 8.270 nan 0.000 0.438 680 V N 4.598 124.552 119.914 0.067 0.000 2.435 680 V HA 0.605 4.724 4.120 -0.001 0.000 0.290 680 V C 1.030 177.153 176.094 0.047 0.000 1.030 680 V CA 0.654 62.989 62.300 0.058 0.000 0.881 680 V CB 1.068 32.927 31.823 0.059 0.000 0.983 680 V HN 1.125 nan 8.190 nan 0.000 0.445 681 G N 4.962 113.788 108.800 0.044 0.000 2.566 681 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.280 681 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.280 681 G C 0.526 175.445 174.900 0.032 0.000 1.225 681 G CA 0.508 45.630 45.100 0.038 0.000 0.966 681 G HN 0.658 nan 8.290 nan 0.000 0.560 682 N N 2.248 120.964 118.700 0.026 0.000 2.336 682 N HA 0.178 4.917 4.740 -0.001 0.000 0.189 682 N C 1.408 176.927 175.510 0.014 0.000 1.113 682 N CA 1.025 54.086 53.050 0.018 0.000 0.858 682 N CB 0.129 38.624 38.487 0.013 0.000 0.970 682 N HN 0.852 nan 8.380 nan 0.000 0.471 683 G N 1.971 110.783 108.800 0.021 0.000 2.583 683 G HA2 0.144 4.103 3.960 -0.001 0.000 0.275 683 G HA3 0.144 4.103 3.960 -0.001 0.000 0.275 683 G C -2.303 172.605 174.900 0.014 0.000 1.342 683 G CA -0.548 44.563 45.100 0.018 0.000 1.030 683 G HN 0.028 nan 8.290 nan 0.000 0.520 684 P HA 0.197 nan 4.420 nan 0.000 0.274 684 P C -0.418 176.895 177.300 0.021 0.000 1.237 684 P CA -0.023 63.076 63.100 -0.001 0.000 0.793 684 P CB 0.767 32.462 31.700 -0.008 0.000 0.977 685 T N 2.287 116.849 114.554 0.013 0.000 2.767 685 T HA 0.460 4.810 4.350 -0.001 0.000 0.288 685 T C 0.042 174.770 174.700 0.046 0.000 0.963 685 T CA -0.339 61.794 62.100 0.054 0.000 1.019 685 T CB 0.042 68.954 68.868 0.074 0.000 0.923 685 T HN 0.168 nan 8.240 nan 0.000 0.468 686 L N 2.569 123.829 121.223 0.061 0.000 2.329 686 L HA 0.800 5.139 4.340 -0.001 0.000 0.279 686 L C 0.164 176.976 176.870 -0.097 0.000 1.014 686 L CA -1.206 53.591 54.840 -0.073 0.000 0.814 686 L CB 1.569 43.577 42.059 -0.084 0.000 1.257 686 L HN 0.634 nan 8.230 nan 0.000 0.424 687 A N 2.818 125.469 122.820 -0.282 0.000 2.337 687 A HA 0.875 5.194 4.320 -0.001 0.000 0.329 687 A C -1.230 176.069 177.584 -0.475 0.000 1.146 687 A CA -0.316 51.604 52.037 -0.195 0.000 0.800 687 A CB 0.881 19.813 19.000 -0.114 0.000 1.220 687 A HN 0.501 nan 8.150 nan 0.000 0.472 688 F N 0.821 120.772 119.950 0.003 0.000 2.546 688 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 688 F C 1.118 176.925 175.800 0.011 0.000 1.076 688 F CA -0.271 57.739 58.000 0.017 0.000 0.928 688 F CB 2.176 41.199 39.000 0.039 0.000 1.189 688 F HN 0.690 nan 8.300 nan 0.000 0.465 689 S N 0.246 116.053 115.700 0.179 0.000 2.606 689 S HA 0.076 4.546 4.470 -0.001 0.000 0.257 689 S C 0.989 175.675 174.600 0.143 0.000 1.327 689 S CA -0.044 58.233 58.200 0.129 0.000 0.984 689 S CB 0.608 63.880 63.200 0.119 0.000 0.941 689 S HN 0.842 nan 8.310 nan 0.000 0.576 690 E N -0.232 120.030 120.200 0.103 0.000 2.418 690 E HA -0.154 4.196 4.350 -0.001 0.000 0.197 690 E C 1.247 177.899 176.600 0.088 0.000 1.026 690 E CA 0.740 57.192 56.400 0.087 0.000 0.862 690 E CB -0.434 29.307 29.700 0.068 0.000 0.799 690 E HN 0.786 nan 8.360 nan 0.000 0.518 691 Q N 0.235 120.096 119.800 0.102 0.000 2.320 691 Q HA 0.211 4.550 4.340 -0.001 0.000 0.201 691 Q C 0.885 176.956 176.000 0.119 0.000 0.910 691 Q CA 0.429 56.291 55.803 0.098 0.000 0.946 691 Q CB 0.914 29.708 28.738 0.094 0.000 1.062 691 Q HN 0.461 nan 8.270 nan 0.000 0.503 692 G N 0.546 109.439 108.800 0.154 0.000 2.136 692 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.242 692 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.242 692 G C -0.279 174.817 174.900 0.326 0.000 0.989 692 G CA -0.228 44.970 45.100 0.163 0.000 0.682 692 G HN 0.266 nan 8.290 nan 0.000 0.522 693 L N -0.067 121.367 121.223 0.352 0.000 2.325 693 L HA 0.675 5.014 4.340 -0.001 0.000 0.278 693 L C 0.840 177.927 176.870 0.362 0.000 1.023 693 L CA -1.364 53.716 54.840 0.400 0.000 0.811 693 L CB 1.556 43.773 42.059 0.262 0.000 1.249 693 L HN 0.165 nan 8.230 nan 0.000 0.431 694 L N 3.018 124.454 121.223 0.356 0.000 2.514 694 L HA -0.026 4.313 4.340 -0.001 0.000 0.280 694 L C 0.867 177.608 176.870 -0.216 0.000 1.223 694 L CA 1.094 55.864 54.840 -0.116 0.000 0.864 694 L CB 0.184 42.295 42.059 0.088 0.000 1.118 694 L HN 0.668 nan 8.230 nan 0.000 0.494 695 K N 1.137 121.273 120.400 -0.439 0.000 2.462 695 K HA 0.239 4.559 4.320 -0.001 0.000 0.201 695 K C -0.346 175.853 176.600 -0.668 0.000 1.268 695 K CA 0.600 56.452 56.287 -0.724 0.000 0.933 695 K CB 0.517 32.760 32.500 -0.428 0.000 1.162 695 K HN 0.844 nan 8.250 nan 0.000 0.527 696 S N -0.535 114.924 115.700 -0.402 0.000 2.587 696 S HA 0.522 4.992 4.470 -0.001 0.000 0.269 696 S C -1.145 173.354 174.600 -0.169 0.000 1.154 696 S CA -1.019 57.040 58.200 -0.236 0.000 0.824 696 S CB 1.421 64.552 63.200 -0.116 0.000 1.118 696 S HN 0.060 nan 8.310 nan 0.000 0.462 697 I N 1.234 121.745 120.570 -0.097 0.000 2.569 697 I HA 0.464 4.634 4.170 -0.001 0.000 0.290 697 I C -0.778 175.296 176.117 -0.072 0.000 1.088 697 I CA -0.358 60.895 61.300 -0.078 0.000 1.047 697 I CB 2.233 40.182 38.000 -0.086 0.000 1.237 697 I HN 0.763 nan 8.210 nan 0.000 0.421 698 Q N 6.097 125.837 119.800 -0.099 0.000 2.357 698 Q HA 0.430 4.770 4.340 -0.001 0.000 0.266 698 Q C -0.047 175.870 176.000 -0.137 0.000 1.021 698 Q CA -0.549 55.121 55.803 -0.222 0.000 0.784 698 Q CB 1.723 30.144 28.738 -0.529 0.000 1.243 698 Q HN 0.783 nan 8.270 nan 0.000 0.465 699 L N 1.964 123.120 121.223 -0.111 0.000 2.046 699 L HA -0.050 4.290 4.340 -0.001 0.000 0.208 699 L C 1.110 177.942 176.870 -0.064 0.000 1.077 699 L CA 1.442 56.238 54.840 -0.073 0.000 0.747 699 L CB -0.388 41.633 42.059 -0.063 0.000 0.896 699 L HN 0.684 nan 8.230 nan 0.000 0.432 700 T N -5.937 108.570 114.554 -0.077 0.000 2.865 700 T HA 0.225 4.575 4.350 -0.001 0.000 0.294 700 T C 0.437 175.096 174.700 -0.070 0.000 1.119 700 T CA -0.847 61.219 62.100 -0.057 0.000 1.007 700 T CB 1.766 70.608 68.868 -0.044 0.000 1.225 700 T HN -0.029 nan 8.240 nan 0.000 0.515 701 Q N 0.756 120.531 119.800 -0.042 0.000 2.181 701 Q HA -0.144 4.195 4.340 -0.001 0.000 0.205 701 Q C 1.651 177.627 176.000 -0.040 0.000 0.980 701 Q CA 2.033 57.816 55.803 -0.033 0.000 0.862 701 Q CB -0.162 28.571 28.738 -0.009 0.000 0.905 701 Q HN 0.888 nan 8.270 nan 0.000 0.429 702 D N 0.162 120.539 120.400 -0.039 0.000 2.333 702 D HA -0.048 4.592 4.640 -0.001 0.000 0.208 702 D C 0.785 177.055 176.300 -0.051 0.000 0.984 702 D CA 0.273 54.254 54.000 -0.032 0.000 0.873 702 D CB 0.147 40.934 40.800 -0.021 0.000 0.935 702 D HN 0.042 nan 8.370 nan 0.000 0.521 703 S N 0.874 116.524 115.700 -0.082 0.000 2.624 703 S HA 0.441 4.911 4.470 -0.001 0.000 0.263 703 S C -2.598 171.920 174.600 -0.137 0.000 1.287 703 S CA -1.103 57.043 58.200 -0.091 0.000 0.990 703 S CB 1.065 64.213 63.200 -0.087 0.000 0.950 703 S HN -0.097 nan 8.310 nan 0.000 0.561 704 P HA 0.260 nan 4.420 nan 0.000 0.277 704 P C -0.748 176.462 177.300 -0.150 0.000 1.240 704 P CA -0.381 62.673 63.100 -0.076 0.000 0.798 704 P CB 0.186 31.877 31.700 -0.014 0.000 0.979 705 H N 0.585 119.645 119.070 -0.018 0.000 3.015 705 H HA 0.149 4.704 4.556 -0.001 0.000 0.268 705 H C -0.189 175.115 175.328 -0.041 0.000 1.113 705 H CA -0.126 55.901 56.048 -0.034 0.000 1.479 705 H CB 0.043 29.786 29.762 -0.031 0.000 1.493 705 H HN 0.106 nan 8.280 nan 0.000 0.486 706 V N 7.352 127.271 119.914 0.008 0.000 2.432 706 V HA 0.105 4.224 4.120 -0.001 0.000 0.271 706 V C -1.920 174.138 176.094 -0.060 0.000 1.046 706 V CA -1.814 60.471 62.300 -0.025 0.000 0.945 706 V CB 1.022 32.816 31.823 -0.049 0.000 0.992 706 V HN 0.573 nan 8.190 nan 0.000 0.471 707 P HA 0.136 nan 4.420 nan 0.000 0.262 707 P C -0.775 176.463 177.300 -0.104 0.000 1.199 707 P CA 0.301 63.346 63.100 -0.093 0.000 0.763 707 P CB 0.413 31.958 31.700 -0.259 0.000 0.790 708 V N 5.135 124.966 119.914 -0.137 0.000 2.498 708 V HA 0.203 4.322 4.120 -0.001 0.000 0.283 708 V C -0.721 175.215 176.094 -0.264 0.000 1.015 708 V CA -0.514 61.680 62.300 -0.177 0.000 0.867 708 V CB 0.956 32.643 31.823 -0.225 0.000 1.025 708 V HN 0.506 nan 8.190 nan 0.000 0.441 709 H N 4.034 122.944 119.070 -0.267 0.000 2.511 709 H HA 0.629 5.185 4.556 -0.001 0.000 0.328 709 H C -0.600 174.589 175.328 -0.233 0.000 1.044 709 H CA -0.618 55.321 56.048 -0.183 0.000 1.212 709 H CB 1.077 30.768 29.762 -0.118 0.000 1.428 709 H HN 0.462 nan 8.280 nan 0.000 0.483 710 F N 2.314 122.251 119.950 -0.022 0.000 2.399 710 F HA 0.346 4.872 4.527 -0.001 0.000 0.342 710 F C 0.649 176.380 175.800 -0.114 0.000 1.106 710 F CA 0.081 58.011 58.000 -0.116 0.000 1.196 710 F CB 0.820 39.739 39.000 -0.135 0.000 1.163 710 F HN 0.321 nan 8.300 nan 0.000 0.547 711 K N 2.637 123.026 120.400 -0.019 0.000 2.527 711 K HA 0.502 4.821 4.320 -0.001 0.000 0.260 711 K C -1.968 174.475 176.600 -0.262 0.000 0.937 711 K CA -0.646 55.620 56.287 -0.034 0.000 0.826 711 K CB 1.401 33.892 32.500 -0.015 0.000 1.359 711 K HN 0.392 nan 8.250 nan 0.000 0.434 712 F N 3.674 123.605 119.950 -0.032 0.000 2.436 712 F HA 0.498 5.024 4.527 -0.001 0.000 0.340 712 F C -0.398 175.378 175.800 -0.039 0.000 1.113 712 F CA -0.576 57.400 58.000 -0.039 0.000 1.022 712 F CB 1.157 40.118 39.000 -0.065 0.000 1.128 712 F HN 0.224 nan 8.300 nan 0.000 0.466 713 L N 2.778 124.055 121.223 0.089 0.000 2.303 713 L HA 0.635 4.974 4.340 -0.001 0.000 0.256 713 L C -1.100 175.760 176.870 -0.017 0.000 1.034 713 L CA -1.020 53.814 54.840 -0.010 0.000 0.832 713 L CB 2.266 44.252 42.059 -0.123 0.000 1.403 713 L HN 0.484 nan 8.230 nan 0.000 0.419 714 K N -0.330 120.023 120.400 -0.079 0.000 2.378 714 K HA 0.655 4.975 4.320 -0.001 0.000 0.252 714 K C -1.738 174.791 176.600 -0.119 0.000 0.931 714 K CA -0.815 55.453 56.287 -0.031 0.000 0.794 714 K CB 1.705 34.225 32.500 0.034 0.000 1.181 714 K HN 0.246 nan 8.250 nan 0.000 0.425 715 Y N 0.607 120.969 120.300 0.103 0.000 2.376 715 Y HA 0.488 5.037 4.550 -0.001 0.000 0.325 715 Y C 1.091 177.045 175.900 0.090 0.000 1.199 715 Y CA 0.099 58.269 58.100 0.117 0.000 1.206 715 Y CB 1.924 40.519 38.460 0.226 0.000 1.229 715 Y HN 0.909 nan 8.280 nan 0.000 0.480 716 G N 0.387 109.328 108.800 0.234 0.000 2.795 716 G HA2 0.628 4.588 3.960 -0.001 0.000 0.267 716 G HA3 0.628 4.588 3.960 -0.001 0.000 0.267 716 G C -1.387 173.580 174.900 0.112 0.000 1.362 716 G CA -0.715 44.467 45.100 0.135 0.000 1.048 716 G HN 0.447 nan 8.290 nan 0.000 0.547 717 V N -0.382 119.562 119.914 0.050 0.000 2.960 717 V HA 0.479 4.599 4.120 -0.001 0.000 0.315 717 V C -0.057 176.013 176.094 -0.040 0.000 1.087 717 V CA -0.893 61.414 62.300 0.012 0.000 0.982 717 V CB 2.026 33.861 31.823 0.021 0.000 1.039 717 V HN 0.677 nan 8.190 nan 0.000 0.437 718 R N 1.106 121.558 120.500 -0.080 0.000 2.491 718 R HA 0.215 4.555 4.340 -0.001 0.000 0.283 718 R C 1.265 177.460 176.300 -0.174 0.000 1.072 718 R CA 0.398 56.400 56.100 -0.163 0.000 1.048 718 R CB 0.769 30.964 30.300 -0.174 0.000 0.983 718 R HN 0.940 nan 8.270 nan 0.000 0.450 719 S N 1.797 117.335 115.700 -0.270 0.000 2.377 719 S HA -0.091 4.378 4.470 -0.001 0.000 0.223 719 S C 0.482 175.013 174.600 -0.114 0.000 1.030 719 S CA 0.459 58.562 58.200 -0.162 0.000 0.970 719 S CB -0.361 62.772 63.200 -0.111 0.000 0.830 719 S HN 0.802 nan 8.310 nan 0.000 0.473 720 H N -0.553 118.518 119.070 0.003 0.000 2.621 720 H HA 0.783 5.339 4.556 -0.001 0.000 0.360 720 H C 0.743 176.069 175.328 -0.003 0.000 1.163 720 H CA -0.588 55.460 56.048 -0.000 0.000 1.194 720 H CB 0.749 30.511 29.762 -0.000 0.000 1.649 720 H HN 0.448 nan 8.280 nan 0.000 0.532 721 G N 1.005 109.892 108.800 0.145 0.000 2.593 721 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.237 721 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.237 721 G C -1.084 173.827 174.900 0.018 0.000 1.312 721 G CA -0.181 44.969 45.100 0.084 0.000 0.896 721 G HN 0.846 nan 8.290 nan 0.000 0.574 722 D N 1.008 121.410 120.400 0.003 0.000 2.304 722 D HA 0.579 5.218 4.640 -0.001 0.000 0.250 722 D C 0.816 177.099 176.300 -0.028 0.000 1.107 722 D CA 0.031 54.023 54.000 -0.013 0.000 0.885 722 D CB 1.020 41.810 40.800 -0.016 0.000 1.192 722 D HN 0.370 nan 8.370 nan 0.000 0.436 723 R N 0.609 121.096 120.500 -0.023 0.000 2.368 723 R HA 0.333 4.673 4.340 -0.001 0.000 0.302 723 R C -0.131 176.160 176.300 -0.014 0.000 1.002 723 R CA -0.554 55.535 56.100 -0.019 0.000 0.929 723 R CB 0.877 31.174 30.300 -0.006 0.000 1.073 723 R HN 0.219 nan 8.270 nan 0.000 0.464 724 S N 0.494 116.193 115.700 -0.003 0.000 2.563 724 S HA 0.491 4.960 4.470 -0.001 0.000 0.284 724 S C 0.503 175.121 174.600 0.030 0.000 1.331 724 S CA 0.426 58.641 58.200 0.025 0.000 1.047 724 S CB 0.877 64.121 63.200 0.073 0.000 0.859 724 S HN 0.735 nan 8.310 nan 0.000 0.514 725 G N 0.001 108.820 108.800 0.032 0.000 2.947 725 G HA2 0.593 4.552 3.960 -0.001 0.000 0.293 725 G HA3 0.593 4.552 3.960 -0.001 0.000 0.293 725 G C 0.608 175.526 174.900 0.030 0.000 1.243 725 G CA -0.113 45.013 45.100 0.043 0.000 0.802 725 G HN 0.707 nan 8.290 nan 0.000 0.560 726 A N -1.199 121.624 122.820 0.005 0.000 1.940 726 A HA 0.033 4.352 4.320 -0.001 0.000 0.219 726 A C 1.973 179.453 177.584 -0.173 0.000 1.176 726 A CA 2.120 54.094 52.037 -0.105 0.000 0.631 726 A CB -0.686 18.185 19.000 -0.214 0.000 0.814 726 A HN 0.592 nan 8.150 nan 0.000 0.446 727 Y N -0.828 119.403 120.300 -0.116 0.000 2.301 727 Y HA 0.325 4.874 4.550 -0.001 0.000 0.295 727 Y C 0.942 176.723 175.900 -0.199 0.000 1.126 727 Y CA 0.183 58.133 58.100 -0.251 0.000 1.154 727 Y CB -0.128 37.818 38.460 -0.856 0.000 1.075 727 Y HN 0.037 nan 8.280 nan 0.000 0.534 728 L N 0.264 121.448 121.223 -0.065 0.000 2.325 728 L HA 0.235 4.574 4.340 -0.001 0.000 0.279 728 L C -1.196 175.722 176.870 0.080 0.000 1.054 728 L CA -0.645 54.160 54.840 -0.059 0.000 0.804 728 L CB 1.128 43.105 42.059 -0.138 0.000 1.200 728 L HN 0.014 nan 8.230 nan 0.000 0.436 729 F N 4.554 124.441 119.950 -0.105 0.000 2.375 729 F HA 0.495 5.022 4.527 -0.001 0.000 0.361 729 F C -0.857 174.861 175.800 -0.136 0.000 1.117 729 F CA -1.027 56.872 58.000 -0.170 0.000 1.037 729 F CB 0.684 39.512 39.000 -0.287 0.000 1.192 729 F HN 0.194 nan 8.300 nan 0.000 0.452 730 L N 9.059 130.122 121.223 -0.267 0.000 2.495 730 L HA 0.363 4.702 4.340 -0.001 0.000 0.248 730 L C -2.378 174.286 176.870 -0.343 0.000 1.229 730 L CA -1.785 52.871 54.840 -0.306 0.000 0.942 730 L CB 0.989 42.974 42.059 -0.124 0.000 1.242 730 L HN 0.389 nan 8.230 nan 0.000 0.484 731 P HA 0.053 nan 4.420 nan 0.000 0.272 731 P C -0.430 176.781 177.300 -0.149 0.000 1.223 731 P CA -0.341 62.556 63.100 -0.339 0.000 0.784 731 P CB 0.556 31.960 31.700 -0.493 0.000 0.923 732 N N 1.146 119.825 118.700 -0.035 0.000 3.259 732 N HA 0.265 5.005 4.740 -0.001 0.000 0.308 732 N C 0.567 176.088 175.510 0.018 0.000 1.334 732 N CA -0.142 52.891 53.050 -0.028 0.000 1.202 732 N CB -0.945 37.525 38.487 -0.027 0.000 1.485 732 N HN 0.726 nan 8.380 nan 0.000 0.549 733 G N 0.674 109.486 108.800 0.021 0.000 2.603 733 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.686 733 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.686 733 G C -3.076 171.911 174.900 0.145 0.000 1.286 733 G CA -1.146 43.986 45.100 0.054 0.000 0.871 733 G HN 0.343 nan 8.290 nan 0.000 0.568 734 P HA 0.408 nan 4.420 nan 0.000 0.267 734 P C 0.531 177.820 177.300 -0.019 0.000 1.195 734 P CA 0.768 63.946 63.100 0.131 0.000 0.773 734 P CB 0.340 32.075 31.700 0.058 0.000 0.837 735 A N 2.258 124.893 122.820 -0.308 0.000 2.386 735 A HA 0.415 4.735 4.320 -0.001 0.000 0.248 735 A C 0.216 177.653 177.584 -0.244 0.000 1.082 735 A CA 0.189 51.864 52.037 -0.603 0.000 0.789 735 A CB -0.113 18.243 19.000 -1.074 0.000 1.025 735 A HN 0.474 nan 8.150 nan 0.000 0.490 736 S N 2.208 117.804 115.700 -0.173 0.000 2.549 736 S HA 0.619 5.088 4.470 -0.001 0.000 0.297 736 S C -2.700 171.863 174.600 -0.062 0.000 1.115 736 S CA -1.045 57.107 58.200 -0.081 0.000 1.059 736 S CB 1.287 64.461 63.200 -0.042 0.000 1.046 736 S HN 0.592 nan 8.310 nan 0.000 0.506 737 P HA 0.146 nan 4.420 nan 0.000 0.271 737 P C -0.747 176.561 177.300 0.013 0.000 1.216 737 P CA -0.378 62.719 63.100 -0.005 0.000 0.776 737 P CB 0.284 31.987 31.700 0.005 0.000 0.881 738 V N 3.875 123.812 119.914 0.040 0.000 2.521 738 V HA -0.018 4.102 4.120 -0.001 0.000 0.286 738 V C 0.979 177.091 176.094 0.030 0.000 1.034 738 V CA 0.184 62.507 62.300 0.038 0.000 1.045 738 V CB -0.365 31.493 31.823 0.057 0.000 0.974 738 V HN 0.516 nan 8.190 nan 0.000 0.480 739 E N 4.592 124.803 120.200 0.019 0.000 2.265 739 E HA 0.134 4.484 4.350 -0.001 0.000 0.272 739 E C 0.506 177.115 176.600 0.015 0.000 1.067 739 E CA -0.170 56.241 56.400 0.019 0.000 0.900 739 E CB 0.837 30.548 29.700 0.017 0.000 1.017 739 E HN 0.556 nan 8.360 nan 0.000 0.431 740 L N 2.753 123.989 121.223 0.022 0.000 2.249 740 L HA 0.108 4.448 4.340 -0.001 0.000 0.207 740 L C 1.423 178.307 176.870 0.023 0.000 1.090 740 L CA 0.602 55.451 54.840 0.016 0.000 0.802 740 L CB -0.659 41.417 42.059 0.028 0.000 0.947 740 L HN 0.871 nan 8.230 nan 0.000 0.453 741 G N 0.401 109.219 108.800 0.030 0.000 2.528 741 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.262 741 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.262 741 G C -0.163 174.762 174.900 0.042 0.000 1.200 741 G CA 0.095 45.217 45.100 0.036 0.000 0.951 741 G HN 0.270 nan 8.290 nan 0.000 0.566 742 Q N 2.225 122.054 119.800 0.047 0.000 2.506 742 Q HA 0.565 4.905 4.340 -0.001 0.000 0.242 742 Q C -1.905 174.134 176.000 0.065 0.000 1.060 742 Q CA -1.770 54.065 55.803 0.053 0.000 0.826 742 Q CB 1.079 29.848 28.738 0.051 0.000 1.169 742 Q HN 0.661 nan 8.270 nan 0.000 0.521 743 P HA 0.136 nan 4.420 nan 0.000 0.274 743 P C -0.650 176.715 177.300 0.108 0.000 1.237 743 P CA -0.411 62.737 63.100 0.081 0.000 0.793 743 P CB 0.994 32.723 31.700 0.047 0.000 0.977 744 V N 2.118 122.131 119.914 0.165 0.000 2.508 744 V HA 0.101 4.220 4.120 -0.001 0.000 0.281 744 V C 0.511 176.743 176.094 0.230 0.000 1.041 744 V CA -0.154 62.263 62.300 0.195 0.000 1.016 744 V CB 1.052 33.027 31.823 0.253 0.000 0.984 744 V HN 0.253 nan 8.190 nan 0.000 0.478 745 V N 6.533 126.528 119.914 0.135 0.000 2.409 745 V HA 0.454 4.573 4.120 -0.001 0.000 0.291 745 V C -0.376 175.722 176.094 0.008 0.000 1.020 745 V CA -0.584 61.768 62.300 0.086 0.000 0.848 745 V CB 1.590 33.430 31.823 0.028 0.000 0.990 745 V HN 0.675 nan 8.190 nan 0.000 0.430 746 L N 6.693 127.917 121.223 0.002 0.000 2.313 746 L HA 0.762 5.101 4.340 -0.001 0.000 0.283 746 L C -0.626 176.114 176.870 -0.218 0.000 1.013 746 L CA 0.036 54.754 54.840 -0.204 0.000 0.816 746 L CB 1.763 43.619 42.059 -0.338 0.000 1.236 746 L HN 0.441 nan 8.230 nan 0.000 0.419 747 V N 4.065 123.833 119.914 -0.243 0.000 2.448 747 V HA 0.579 4.698 4.120 -0.001 0.000 0.295 747 V C -0.166 175.834 176.094 -0.157 0.000 1.025 747 V CA -0.408 61.773 62.300 -0.199 0.000 0.859 747 V CB 1.852 33.576 31.823 -0.165 0.000 0.988 747 V HN 0.853 nan 8.190 nan 0.000 0.431 748 T N 5.146 119.639 114.554 -0.101 0.000 2.792 748 T HA 0.468 4.818 4.350 -0.001 0.000 0.280 748 T C -0.503 174.209 174.700 0.020 0.000 0.990 748 T CA -0.615 61.483 62.100 -0.003 0.000 0.960 748 T CB 1.302 70.207 68.868 0.062 0.000 0.939 748 T HN 0.640 nan 8.240 nan 0.000 0.439 749 K N 2.299 122.731 120.400 0.054 0.000 2.450 749 K HA 0.671 4.990 4.320 -0.001 0.000 0.257 749 K C -0.396 176.256 176.600 0.087 0.000 0.953 749 K CA -0.563 55.759 56.287 0.057 0.000 0.844 749 K CB 0.930 33.458 32.500 0.047 0.000 1.103 749 K HN 0.803 nan 8.250 nan 0.000 0.429 750 G N 2.067 110.916 108.800 0.082 0.000 2.658 750 G HA2 0.176 4.135 3.960 -0.001 0.000 0.292 750 G HA3 0.176 4.135 3.960 -0.001 0.000 0.292 750 G C -0.266 174.677 174.900 0.070 0.000 1.320 750 G CA -0.596 44.556 45.100 0.087 0.000 0.933 750 G HN 0.613 nan 8.290 nan 0.000 0.476 751 K N -0.369 120.070 120.400 0.065 0.000 2.103 751 K HA 0.135 4.454 4.320 -0.001 0.000 0.204 751 K C 1.629 178.264 176.600 0.058 0.000 1.052 751 K CA 0.818 57.140 56.287 0.059 0.000 0.945 751 K CB -0.130 32.403 32.500 0.054 0.000 0.722 751 K HN 0.437 nan 8.250 nan 0.000 0.443 752 L N -0.449 120.810 121.223 0.060 0.000 2.408 752 L HA 0.204 4.544 4.340 -0.001 0.000 0.215 752 L C 0.526 177.428 176.870 0.054 0.000 1.081 752 L CA 0.109 54.984 54.840 0.058 0.000 0.840 752 L CB 0.365 42.463 42.059 0.064 0.000 1.002 752 L HN 0.174 nan 8.230 nan 0.000 0.468 753 E N -0.284 119.951 120.200 0.059 0.000 2.347 753 E HA 0.376 4.726 4.350 -0.001 0.000 0.285 753 E C -1.501 175.136 176.600 0.062 0.000 0.925 753 E CA -0.220 56.214 56.400 0.057 0.000 0.779 753 E CB 2.039 31.771 29.700 0.054 0.000 1.233 753 E HN -0.126 nan 8.360 nan 0.000 0.414 754 S N 1.278 117.011 115.700 0.055 0.000 2.634 754 S HA 0.814 5.284 4.470 -0.001 0.000 0.296 754 S C -1.310 173.302 174.600 0.021 0.000 1.104 754 S CA -0.658 57.568 58.200 0.043 0.000 0.920 754 S CB 1.789 65.016 63.200 0.045 0.000 1.111 754 S HN 0.631 nan 8.310 nan 0.000 0.493 755 S N -0.204 115.482 115.700 -0.024 0.000 2.547 755 S HA 0.724 5.194 4.470 -0.001 0.000 0.270 755 S C -1.680 172.808 174.600 -0.187 0.000 1.150 755 S CA -0.743 57.415 58.200 -0.071 0.000 0.850 755 S CB 1.067 64.250 63.200 -0.029 0.000 1.118 755 S HN 0.453 nan 8.310 nan 0.000 0.461 756 V N 2.038 121.775 119.914 -0.295 0.000 2.444 756 V HA 0.725 4.845 4.120 -0.001 0.000 0.294 756 V C -0.441 175.500 176.094 -0.256 0.000 1.022 756 V CA -0.373 61.683 62.300 -0.406 0.000 0.850 756 V CB 1.523 32.774 31.823 -0.954 0.000 0.992 756 V HN 1.003 nan 8.190 nan 0.000 0.426 757 S N 3.294 118.903 115.700 -0.151 0.000 2.513 757 S HA 0.797 5.266 4.470 -0.001 0.000 0.299 757 S C -0.819 173.716 174.600 -0.109 0.000 1.087 757 S CA -0.663 57.455 58.200 -0.136 0.000 1.012 757 S CB 2.239 65.451 63.200 0.020 0.000 1.044 757 S HN 0.620 nan 8.310 nan 0.000 0.485 758 V N 1.801 121.537 119.914 -0.298 0.000 2.686 758 V HA 0.778 4.897 4.120 -0.001 0.000 0.306 758 V C -0.059 175.715 176.094 -0.534 0.000 1.065 758 V CA -0.419 61.742 62.300 -0.232 0.000 0.894 758 V CB 1.763 33.560 31.823 -0.042 0.000 1.004 758 V HN 1.017 nan 8.190 nan 0.000 0.424 759 G N 6.989 115.529 108.800 -0.435 0.000 2.530 759 G HA2 0.544 4.504 3.960 -0.001 0.000 0.313 759 G HA3 0.544 4.504 3.960 -0.001 0.000 0.313 759 G C -0.631 174.168 174.900 -0.167 0.000 0.971 759 G CA -0.283 44.598 45.100 -0.364 0.000 1.237 759 G HN 0.687 nan 8.290 nan 0.000 0.446 760 L N 2.951 124.019 121.223 -0.258 0.000 2.358 760 L HA 0.434 4.774 4.340 -0.001 0.000 0.268 760 L C -2.068 174.677 176.870 -0.207 0.000 1.032 760 L CA -2.473 52.236 54.840 -0.218 0.000 0.805 760 L CB 1.918 43.774 42.059 -0.339 0.000 1.253 760 L HN 0.198 nan 8.230 nan 0.000 0.452 761 P HA 0.068 nan 4.420 nan 0.000 0.262 761 P C 0.098 177.291 177.300 -0.178 0.000 1.199 761 P CA 0.482 63.491 63.100 -0.151 0.000 0.763 761 P CB 0.971 32.614 31.700 -0.094 0.000 0.790 762 S N -0.140 115.453 115.700 -0.177 0.000 2.769 762 S HA -0.114 4.355 4.470 -0.001 0.000 0.264 762 S C 0.216 174.704 174.600 -0.186 0.000 1.288 762 S CA 1.300 59.410 58.200 -0.150 0.000 1.378 762 S CB -1.372 61.773 63.200 -0.092 0.000 1.702 762 S HN 0.397 nan 8.310 nan 0.000 0.656 763 V N 1.474 121.220 119.914 -0.280 0.000 2.612 763 V HA 0.461 4.580 4.120 -0.001 0.000 0.301 763 V C -0.253 175.606 176.094 -0.391 0.000 1.059 763 V CA -0.773 61.320 62.300 -0.345 0.000 0.886 763 V CB 2.097 33.571 31.823 -0.582 0.000 1.007 763 V HN 0.109 nan 8.190 nan 0.000 0.426 764 V N 4.166 123.860 119.914 -0.367 0.000 2.385 764 V HA 0.334 4.453 4.120 -0.001 0.000 0.269 764 V C -0.200 175.667 176.094 -0.379 0.000 1.043 764 V CA -0.347 61.632 62.300 -0.534 0.000 0.906 764 V CB 0.855 32.248 31.823 -0.717 0.000 0.995 764 V HN 0.942 nan 8.190 nan 0.000 0.467 765 H N 4.514 123.308 119.070 -0.460 0.000 2.476 765 H HA 0.591 5.146 4.556 -0.001 0.000 0.328 765 H C -0.439 174.747 175.328 -0.237 0.000 1.073 765 H CA -0.242 55.639 56.048 -0.280 0.000 1.229 765 H CB 1.200 30.821 29.762 -0.236 0.000 1.432 765 H HN 0.680 nan 8.280 nan 0.000 0.477 766 Q N 4.254 123.704 119.800 -0.583 0.000 2.304 766 Q HA 0.367 4.706 4.340 -0.001 0.000 0.270 766 Q C -1.314 174.443 176.000 -0.405 0.000 1.035 766 Q CA -0.909 54.645 55.803 -0.416 0.000 0.781 766 Q CB 1.611 30.221 28.738 -0.215 0.000 1.261 766 Q HN 0.750 nan 8.270 nan 0.000 0.444 767 T N 4.949 119.342 114.554 -0.267 0.000 2.758 767 T HA 0.542 4.891 4.350 -0.001 0.000 0.285 767 T C -0.313 174.386 174.700 -0.002 0.000 0.981 767 T CA -0.298 61.765 62.100 -0.062 0.000 0.965 767 T CB 0.350 69.339 68.868 0.201 0.000 0.927 767 T HN 0.466 nan 8.240 nan 0.000 0.448 768 I N 3.657 124.246 120.570 0.033 0.000 2.433 768 I HA 0.466 4.635 4.170 -0.001 0.000 0.292 768 I C -0.403 175.756 176.117 0.070 0.000 1.001 768 I CA -0.774 60.548 61.300 0.038 0.000 1.119 768 I CB 1.816 39.830 38.000 0.023 0.000 1.289 768 I HN 0.402 nan 8.210 nan 0.000 0.438 769 M N 5.953 125.597 119.600 0.073 0.000 2.181 769 M HA 0.470 4.949 4.480 -0.001 0.000 0.323 769 M C 0.262 176.598 176.300 0.059 0.000 1.004 769 M CA -0.218 55.129 55.300 0.079 0.000 0.941 769 M CB 1.955 34.618 32.600 0.104 0.000 1.579 769 M HN 0.429 nan 8.290 nan 0.000 0.427 770 R N 1.321 121.851 120.500 0.049 0.000 2.565 770 R HA 0.371 4.711 4.340 -0.001 0.000 0.347 770 R C 0.803 177.127 176.300 0.040 0.000 1.010 770 R CA 0.212 56.336 56.100 0.040 0.000 1.126 770 R CB 0.954 31.270 30.300 0.027 0.000 1.331 770 R HN 1.137 nan 8.270 nan 0.000 0.552 771 G N -0.396 108.429 108.800 0.043 0.000 2.201 771 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.212 771 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.212 771 G C 0.294 175.212 174.900 0.030 0.000 0.994 771 G CA -0.347 44.776 45.100 0.038 0.000 0.644 771 G HN 0.536 nan 8.290 nan 0.000 0.508 772 G N -0.065 108.753 108.800 0.030 0.000 3.259 772 G HA2 0.783 4.743 3.960 -0.001 0.000 0.178 772 G HA3 0.783 4.743 3.960 -0.001 0.000 0.178 772 G C 0.524 175.441 174.900 0.028 0.000 1.129 772 G CA 0.567 45.680 45.100 0.022 0.000 0.816 772 G HN 1.576 nan 8.290 nan 0.000 0.634 773 A N 1.708 124.542 122.820 0.024 0.000 2.565 773 A HA 0.490 4.809 4.320 -0.001 0.000 0.237 773 A C -1.690 175.928 177.584 0.057 0.000 1.053 773 A CA -0.317 51.741 52.037 0.035 0.000 0.755 773 A CB -0.523 18.495 19.000 0.030 0.000 0.980 773 A HN 0.382 nan 8.150 nan 0.000 0.506 774 P HA 0.126 nan 4.420 nan 0.000 0.272 774 P C -0.437 176.926 177.300 0.106 0.000 1.230 774 P CA -0.182 62.978 63.100 0.099 0.000 0.788 774 P CB 0.662 32.443 31.700 0.135 0.000 0.949 775 E N 1.233 121.489 120.200 0.093 0.000 2.191 775 E HA 0.374 4.723 4.350 -0.001 0.000 0.278 775 E C -0.709 175.948 176.600 0.095 0.000 0.972 775 E CA -0.719 55.738 56.400 0.095 0.000 0.804 775 E CB 0.547 30.281 29.700 0.056 0.000 1.110 775 E HN 0.225 nan 8.360 nan 0.000 0.394 776 I N 4.098 124.756 120.570 0.146 0.000 2.404 776 I HA 0.408 4.578 4.170 -0.001 0.000 0.293 776 I C -0.028 176.189 176.117 0.166 0.000 0.992 776 I CA -0.615 60.742 61.300 0.094 0.000 1.149 776 I CB 1.276 39.347 38.000 0.119 0.000 1.315 776 I HN 0.546 nan 8.210 nan 0.000 0.446 777 R N 4.670 125.192 120.500 0.038 0.000 2.513 777 R HA 0.486 4.826 4.340 -0.001 0.000 0.301 777 R C -0.948 175.390 176.300 0.064 0.000 0.968 777 R CA -0.834 55.310 56.100 0.074 0.000 0.872 777 R CB 1.995 32.297 30.300 0.004 0.000 1.177 777 R HN 0.477 nan 8.270 nan 0.000 0.444 778 N N 2.756 121.572 118.700 0.193 0.000 2.417 778 N HA 0.188 4.927 4.740 -0.001 0.000 0.274 778 N C -1.158 174.365 175.510 0.023 0.000 0.987 778 N CA -0.716 52.423 53.050 0.149 0.000 0.912 778 N CB 1.919 40.616 38.487 0.350 0.000 1.177 778 N HN 0.298 nan 8.380 nan 0.000 0.490 779 L N 3.648 124.822 121.223 -0.081 0.000 2.268 779 L HA 0.348 4.687 4.340 -0.001 0.000 0.289 779 L C -0.948 175.848 176.870 -0.124 0.000 1.064 779 L CA -0.434 54.334 54.840 -0.119 0.000 0.824 779 L CB 0.433 42.406 42.059 -0.143 0.000 1.202 779 L HN 0.213 nan 8.230 nan 0.000 0.433 780 V N 4.614 124.460 119.914 -0.115 0.000 2.370 780 V HA 0.408 4.527 4.120 -0.001 0.000 0.283 780 V C -0.544 175.511 176.094 -0.064 0.000 1.023 780 V CA -0.553 61.701 62.300 -0.076 0.000 0.857 780 V CB 1.470 33.278 31.823 -0.025 0.000 0.985 780 V HN 0.682 nan 8.190 nan 0.000 0.443 781 D N 3.959 124.321 120.400 -0.063 0.000 2.375 781 D HA 0.251 4.891 4.640 -0.001 0.000 0.259 781 D C 0.480 176.759 176.300 -0.035 0.000 1.235 781 D CA -0.399 53.573 54.000 -0.047 0.000 0.924 781 D CB 1.324 42.087 40.800 -0.062 0.000 1.143 781 D HN 0.478 nan 8.370 nan 0.000 0.529 782 I N 2.318 122.886 120.570 -0.003 0.000 3.334 782 I HA 0.078 4.247 4.170 -0.001 0.000 0.282 782 I C 1.370 177.489 176.117 0.003 0.000 1.313 782 I CA 1.052 62.358 61.300 0.010 0.000 1.396 782 I CB -0.290 37.738 38.000 0.045 0.000 1.054 782 I HN 0.599 nan 8.210 nan 0.000 0.495 783 G N 1.057 109.854 108.800 -0.005 0.000 2.651 783 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.315 783 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.315 783 G C 0.543 175.450 174.900 0.012 0.000 1.258 783 G CA 0.535 45.633 45.100 -0.003 0.000 1.002 783 G HN 0.761 nan 8.290 nan 0.000 0.551 784 S N -0.181 115.527 115.700 0.014 0.000 2.562 784 S HA 0.556 5.025 4.470 -0.001 0.000 0.246 784 S C 0.693 175.307 174.600 0.023 0.000 1.056 784 S CA 0.004 58.217 58.200 0.021 0.000 1.042 784 S CB 0.064 63.278 63.200 0.023 0.000 0.822 784 S HN 0.719 nan 8.310 nan 0.000 0.465 785 L N 2.976 124.213 121.223 0.022 0.000 2.400 785 L HA 0.236 4.575 4.340 -0.001 0.000 0.262 785 L C -0.387 176.505 176.870 0.037 0.000 1.309 785 L CA -0.293 54.564 54.840 0.027 0.000 1.186 785 L CB -0.782 41.293 42.059 0.026 0.000 1.375 785 L HN 0.222 nan 8.230 nan 0.000 0.433 786 D N 2.733 123.153 120.400 0.035 0.000 2.423 786 D HA -0.042 4.598 4.640 -0.001 0.000 0.238 786 D C 0.764 177.090 176.300 0.044 0.000 1.142 786 D CA 0.253 54.276 54.000 0.039 0.000 0.884 786 D CB 0.329 41.148 40.800 0.033 0.000 1.199 786 D HN 0.322 nan 8.370 nan 0.000 0.438 787 N N 0.301 119.031 118.700 0.049 0.000 2.738 787 N HA -0.164 4.576 4.740 -0.001 0.000 0.249 787 N C -0.884 174.669 175.510 0.072 0.000 1.047 787 N CA 0.861 53.944 53.050 0.055 0.000 0.707 787 N CB -1.197 37.315 38.487 0.041 0.000 0.937 787 N HN 0.341 nan 8.380 nan 0.000 0.545 788 T N 0.359 114.963 114.554 0.083 0.000 2.912 788 T HA 0.450 4.800 4.350 -0.001 0.000 0.299 788 T C -0.430 174.343 174.700 0.121 0.000 1.052 788 T CA -0.701 61.460 62.100 0.102 0.000 0.996 788 T CB 2.465 71.379 68.868 0.077 0.000 1.070 788 T HN 0.031 nan 8.240 nan 0.000 0.465 789 E N 2.155 122.456 120.200 0.169 0.000 2.224 789 E HA 0.455 4.805 4.350 -0.001 0.000 0.265 789 E C -0.802 175.920 176.600 0.203 0.000 0.878 789 E CA -0.607 55.896 56.400 0.173 0.000 0.759 789 E CB 2.340 32.138 29.700 0.163 0.000 1.164 789 E HN 0.473 nan 8.360 nan 0.000 0.414 790 I N 2.728 123.404 120.570 0.176 0.000 2.336 790 I HA 0.304 4.473 4.170 -0.001 0.000 0.292 790 I C -0.271 175.982 176.117 0.226 0.000 0.991 790 I CA -0.928 60.487 61.300 0.192 0.000 1.227 790 I CB 1.557 39.670 38.000 0.189 0.000 1.366 790 I HN 0.195 nan 8.210 nan 0.000 0.466 791 V N 7.949 127.987 119.914 0.207 0.000 2.680 791 V HA 0.490 4.610 4.120 -0.001 0.000 0.309 791 V C -0.485 175.624 176.094 0.025 0.000 1.052 791 V CA -0.697 61.706 62.300 0.173 0.000 0.908 791 V CB 2.092 34.067 31.823 0.252 0.000 1.001 791 V HN 0.760 nan 8.190 nan 0.000 0.431 792 M N 7.207 126.747 119.600 -0.101 0.000 2.180 792 M HA 0.579 5.059 4.480 -0.001 0.000 0.350 792 M C -0.557 175.588 176.300 -0.258 0.000 1.125 792 M CA -0.420 54.598 55.300 -0.471 0.000 1.031 792 M CB 0.662 32.954 32.600 -0.514 0.000 1.623 792 M HN 0.773 nan 8.290 nan 0.000 0.451 793 R N 4.662 124.999 120.500 -0.272 0.000 2.740 793 R HA 0.700 5.039 4.340 -0.001 0.000 0.282 793 R C -2.039 174.146 176.300 -0.192 0.000 0.969 793 R CA -0.651 55.347 56.100 -0.170 0.000 0.918 793 R CB 1.583 31.809 30.300 -0.123 0.000 1.175 793 R HN 0.822 nan 8.270 nan 0.000 0.464 794 L N 3.252 124.338 121.223 -0.228 0.000 2.313 794 L HA 0.431 4.771 4.340 -0.001 0.000 0.283 794 L C -0.615 176.132 176.870 -0.205 0.000 1.013 794 L CA -0.420 54.218 54.840 -0.337 0.000 0.816 794 L CB 1.950 43.759 42.059 -0.417 0.000 1.236 794 L HN 0.635 nan 8.230 nan 0.000 0.419 795 E N 2.181 122.282 120.200 -0.166 0.000 2.176 795 E HA 0.489 4.838 4.350 -0.001 0.000 0.267 795 E C -0.613 175.923 176.600 -0.106 0.000 0.893 795 E CA -0.482 55.851 56.400 -0.111 0.000 0.761 795 E CB 2.227 31.863 29.700 -0.107 0.000 1.133 795 E HN 0.601 nan 8.360 nan 0.000 0.409 796 T N -0.993 113.512 114.554 -0.081 0.000 2.831 796 T HA 0.349 4.698 4.350 -0.001 0.000 0.287 796 T C 0.047 174.773 174.700 0.043 0.000 1.070 796 T CA -0.695 61.346 62.100 -0.097 0.000 1.010 796 T CB 1.081 69.906 68.868 -0.072 0.000 1.264 796 T HN 0.591 nan 8.240 nan 0.000 0.532 797 H N -0.538 118.520 119.070 -0.020 0.000 2.469 797 H HA 0.427 4.983 4.556 -0.001 0.000 0.286 797 H C -0.015 175.308 175.328 -0.008 0.000 1.106 797 H CA -0.594 55.444 56.048 -0.018 0.000 1.055 797 H CB 0.111 29.866 29.762 -0.012 0.000 1.618 797 H HN 0.318 nan 8.280 nan 0.000 0.559 798 I N 1.519 122.145 120.570 0.094 0.000 2.588 798 I HA -0.093 4.077 4.170 -0.001 0.000 0.283 798 I C 0.466 176.621 176.117 0.063 0.000 1.119 798 I CA 0.167 61.506 61.300 0.065 0.000 1.419 798 I CB 0.632 38.660 38.000 0.048 0.000 1.394 798 I HN 0.206 nan 8.210 nan 0.000 0.562 799 D N 4.280 124.714 120.400 0.056 0.000 2.631 799 D HA 0.064 4.704 4.640 -0.001 0.000 0.227 799 D C 1.106 177.440 176.300 0.056 0.000 1.146 799 D CA -0.172 53.856 54.000 0.046 0.000 1.009 799 D CB 0.403 41.224 40.800 0.035 0.000 1.057 799 D HN 0.522 nan 8.370 nan 0.000 0.509 800 S N 0.453 116.192 115.700 0.064 0.000 2.501 800 S HA 0.297 4.767 4.470 -0.001 0.000 0.220 800 S C 1.578 176.222 174.600 0.074 0.000 0.997 800 S CA 0.218 58.470 58.200 0.086 0.000 0.919 800 S CB -0.123 63.139 63.200 0.102 0.000 0.778 800 S HN 0.557 nan 8.310 nan 0.000 0.523 801 G N 3.216 112.048 108.800 0.053 0.000 2.543 801 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.286 801 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.286 801 G C 0.131 175.065 174.900 0.057 0.000 1.153 801 G CA 0.517 45.644 45.100 0.046 0.000 0.968 801 G HN 0.706 nan 8.290 nan 0.000 0.544 802 D N 0.174 120.612 120.400 0.064 0.000 2.431 802 D HA 0.308 4.947 4.640 -0.001 0.000 0.213 802 D C 0.833 177.214 176.300 0.134 0.000 1.130 802 D CA -0.176 53.880 54.000 0.094 0.000 0.834 802 D CB 0.288 41.129 40.800 0.068 0.000 0.985 802 D HN 0.469 nan 8.370 nan 0.000 0.504 803 I N 1.558 122.184 120.570 0.093 0.000 2.428 803 I HA 0.462 4.631 4.170 -0.001 0.000 0.296 803 I C -0.096 176.101 176.117 0.133 0.000 0.985 803 I CA -0.948 60.351 61.300 -0.001 0.000 1.260 803 I CB 0.401 38.360 38.000 -0.068 0.000 1.389 803 I HN -0.042 nan 8.210 nan 0.000 0.484 804 F N 4.445 124.194 119.950 -0.335 0.000 2.779 804 F HA 0.683 5.210 4.527 -0.001 0.000 0.316 804 F C -2.056 173.370 175.800 -0.624 0.000 1.164 804 F CA -1.405 56.421 58.000 -0.290 0.000 0.924 804 F CB 1.254 40.163 39.000 -0.153 0.000 1.348 804 F HN 0.183 nan 8.300 nan 0.000 0.467 805 Y N -0.004 120.085 120.300 -0.352 0.000 2.442 805 Y HA 0.669 5.218 4.550 -0.001 0.000 0.344 805 Y C -0.116 175.625 175.900 -0.265 0.000 0.976 805 Y CA -0.713 57.038 58.100 -0.580 0.000 1.040 805 Y CB 2.487 40.189 38.460 -1.264 0.000 1.228 805 Y HN 0.885 nan 8.280 nan 0.000 0.451 806 T N -1.246 113.253 114.554 -0.092 0.000 2.906 806 T HA 0.455 4.805 4.350 -0.001 0.000 0.295 806 T C -1.016 173.516 174.700 -0.280 0.000 1.061 806 T CA -1.090 60.969 62.100 -0.068 0.000 1.000 806 T CB 1.953 70.746 68.868 -0.126 0.000 1.103 806 T HN 0.581 nan 8.240 nan 0.000 0.486 807 D N 1.455 121.527 120.400 -0.546 0.000 2.348 807 D HA 0.337 4.977 4.640 -0.001 0.000 0.249 807 D C -0.561 175.468 176.300 -0.451 0.000 1.110 807 D CA -0.741 52.718 54.000 -0.901 0.000 0.967 807 D CB 1.087 41.142 40.800 -1.242 0.000 1.139 807 D HN 0.557 nan 8.370 nan 0.000 0.466 808 L N 0.850 121.847 121.223 -0.376 0.000 2.316 808 L HA 0.216 4.555 4.340 -0.001 0.000 0.280 808 L C -0.051 176.700 176.870 -0.198 0.000 1.006 808 L CA -0.823 53.895 54.840 -0.205 0.000 0.836 808 L CB 0.622 42.625 42.059 -0.094 0.000 1.221 808 L HN 0.448 nan 8.230 nan 0.000 0.418 809 N N 2.198 120.797 118.700 -0.169 0.000 2.693 809 N HA -0.246 4.493 4.740 -0.001 0.000 0.249 809 N C 1.012 176.339 175.510 -0.305 0.000 1.119 809 N CA 0.929 53.881 53.050 -0.162 0.000 0.717 809 N CB -0.975 37.483 38.487 -0.048 0.000 1.071 809 N HN 1.095 nan 8.380 nan 0.000 0.555 810 G N -1.773 106.853 108.800 -0.291 0.000 2.184 810 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.264 810 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.264 810 G C 0.655 175.530 174.900 -0.042 0.000 0.975 810 G CA 0.636 45.594 45.100 -0.237 0.000 0.642 810 G HN 0.442 nan 8.290 nan 0.000 0.536 811 L N 0.047 121.176 121.223 -0.155 0.000 2.388 811 L HA 0.493 4.832 4.340 -0.001 0.000 0.209 811 L C 1.123 177.867 176.870 -0.209 0.000 1.061 811 L CA 2.125 56.776 54.840 -0.314 0.000 0.834 811 L CB 0.056 41.775 42.059 -0.568 0.000 1.029 811 L HN 0.712 nan 8.230 nan 0.000 0.473 812 Q N -2.098 117.586 119.800 -0.194 0.000 2.534 812 Q HA 0.363 4.703 4.340 -0.001 0.000 0.290 812 Q C -1.666 174.216 176.000 -0.197 0.000 0.991 812 Q CA -0.768 54.990 55.803 -0.075 0.000 0.783 812 Q CB 1.247 30.000 28.738 0.026 0.000 1.470 812 Q HN -0.050 nan 8.270 nan 0.000 0.406 813 F N 1.059 120.969 119.950 -0.066 0.000 2.458 813 F HA 0.590 5.117 4.527 -0.001 0.000 0.336 813 F C -0.295 175.466 175.800 -0.065 0.000 1.114 813 F CA -0.852 57.118 58.000 -0.050 0.000 0.987 813 F CB 1.788 40.801 39.000 0.021 0.000 1.130 813 F HN 0.525 nan 8.300 nan 0.000 0.458 814 I N 3.860 124.431 120.570 0.002 0.000 2.441 814 I HA 0.330 4.500 4.170 -0.001 0.000 0.295 814 I C -0.400 175.582 176.117 -0.225 0.000 0.994 814 I CA -0.863 60.388 61.300 -0.082 0.000 1.144 814 I CB 1.205 39.108 38.000 -0.161 0.000 1.314 814 I HN 0.510 nan 8.210 nan 0.000 0.445 815 K N 6.945 127.169 120.400 -0.293 0.000 2.416 815 K HA 0.228 4.548 4.320 -0.001 0.000 0.283 815 K C -0.772 175.375 176.600 -0.756 0.000 1.037 815 K CA -0.340 55.501 56.287 -0.744 0.000 0.995 815 K CB 0.488 32.682 32.500 -0.509 0.000 0.938 815 K HN 0.508 nan 8.250 nan 0.000 0.475 816 R N 3.254 123.116 120.500 -1.064 0.000 2.668 816 R HA 0.372 4.712 4.340 -0.001 0.000 0.279 816 R C -0.414 175.369 176.300 -0.861 0.000 0.976 816 R CA -0.779 54.616 56.100 -1.175 0.000 0.978 816 R CB 1.446 30.496 30.300 -2.083 0.000 1.133 816 R HN 0.672 nan 8.270 nan 0.000 0.484 817 R N 1.359 121.569 120.500 -0.484 0.000 2.502 817 R HA 0.271 4.610 4.340 -0.001 0.000 0.300 817 R C -0.620 175.713 176.300 0.054 0.000 0.984 817 R CA -0.660 55.341 56.100 -0.165 0.000 0.882 817 R CB 1.577 31.819 30.300 -0.096 0.000 1.180 817 R HN 0.568 nan 8.270 nan 0.000 0.444 818 R N 4.939 125.580 120.500 0.234 0.000 2.484 818 R HA 0.133 4.472 4.340 -0.001 0.000 0.293 818 R C -0.966 175.410 176.300 0.127 0.000 1.023 818 R CA 0.222 56.483 56.100 0.269 0.000 1.037 818 R CB 0.372 30.814 30.300 0.238 0.000 0.951 818 R HN 0.521 nan 8.270 nan 0.000 0.418 819 L N 4.704 125.980 121.223 0.089 0.000 2.325 819 L HA 0.236 4.575 4.340 -0.001 0.000 0.281 819 L C 0.378 177.242 176.870 -0.010 0.000 1.004 819 L CA -0.744 54.111 54.840 0.025 0.000 0.823 819 L CB 2.059 44.111 42.059 -0.011 0.000 1.236 819 L HN 0.663 nan 8.230 nan 0.000 0.415 820 D N 1.595 121.994 120.400 -0.000 0.000 2.312 820 D HA -0.122 4.517 4.640 -0.001 0.000 0.211 820 D C 1.669 177.954 176.300 -0.025 0.000 0.964 820 D CA 0.885 54.880 54.000 -0.008 0.000 0.877 820 D CB 0.325 41.128 40.800 0.006 0.000 0.924 820 D HN 0.570 nan 8.370 nan 0.000 0.515 821 K N 0.257 120.636 120.400 -0.035 0.000 2.439 821 K HA -0.000 4.319 4.320 -0.001 0.000 0.197 821 K C 0.722 177.258 176.600 -0.107 0.000 1.041 821 K CA 0.413 56.676 56.287 -0.041 0.000 0.970 821 K CB 0.256 32.753 32.500 -0.006 0.000 0.773 821 K HN 0.098 nan 8.250 nan 0.000 0.479 822 L N 2.445 123.565 121.223 -0.171 0.000 2.331 822 L HA 0.453 4.792 4.340 -0.001 0.000 0.275 822 L C -2.203 174.560 176.870 -0.178 0.000 1.022 822 L CA -2.888 51.804 54.840 -0.247 0.000 0.812 822 L CB 1.487 43.315 42.059 -0.384 0.000 1.257 822 L HN -0.019 nan 8.230 nan 0.000 0.435 823 P HA 0.046 nan 4.420 nan 0.000 0.274 823 P C 0.829 178.013 177.300 -0.192 0.000 1.256 823 P CA -0.481 62.527 63.100 -0.153 0.000 0.795 823 P CB 1.284 32.914 31.700 -0.116 0.000 1.038 824 L N 0.613 121.757 121.223 -0.133 0.000 2.043 824 L HA -0.259 4.081 4.340 -0.001 0.000 0.212 824 L C 2.457 179.275 176.870 -0.087 0.000 1.075 824 L CA 1.835 56.632 54.840 -0.072 0.000 0.752 824 L CB -0.615 41.406 42.059 -0.063 0.000 0.891 824 L HN 0.418 nan 8.230 nan 0.000 0.432 825 Q N -0.404 119.234 119.800 -0.270 0.000 2.364 825 Q HA -0.131 4.208 4.340 -0.001 0.000 0.207 825 Q C 1.854 177.760 176.000 -0.157 0.000 0.970 825 Q CA 1.349 57.017 55.803 -0.226 0.000 0.888 825 Q CB -0.410 28.084 28.738 -0.406 0.000 0.951 825 Q HN 0.591 nan 8.270 nan 0.000 0.469 826 A N 1.559 124.067 122.820 -0.520 0.000 2.067 826 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 826 A C 1.620 179.008 177.584 -0.328 0.000 1.156 826 A CA 0.689 52.253 52.037 -0.788 0.000 0.683 826 A CB -0.181 17.952 19.000 -1.445 0.000 0.808 826 A HN 0.341 nan 8.150 nan 0.000 0.455 827 N N -1.132 117.497 118.700 -0.118 0.000 2.322 827 N HA 0.057 4.797 4.740 -0.001 0.000 0.194 827 N C -0.914 174.660 175.510 0.108 0.000 1.126 827 N CA 0.188 53.274 53.050 0.060 0.000 0.845 827 N CB 0.084 38.663 38.487 0.152 0.000 0.976 827 N HN 0.467 nan 8.380 nan 0.000 0.475 828 Y N 0.309 120.548 120.300 -0.102 0.000 2.304 828 Y HA 0.206 4.755 4.550 -0.001 0.000 0.328 828 Y C -0.226 175.625 175.900 -0.082 0.000 1.123 828 Y CA -0.135 57.995 58.100 0.051 0.000 1.218 828 Y CB 0.414 38.972 38.460 0.163 0.000 1.207 828 Y HN -0.063 nan 8.280 nan 0.000 0.495 829 Y N 3.694 124.128 120.300 0.224 0.000 2.602 829 Y HA 0.455 5.004 4.550 -0.001 0.000 0.342 829 Y C -2.272 173.313 175.900 -0.525 0.000 1.029 829 Y CA -2.963 55.113 58.100 -0.040 0.000 1.080 829 Y CB 1.425 39.856 38.460 -0.049 0.000 1.284 829 Y HN 0.452 nan 8.280 nan 0.000 0.485 830 P HA 0.108 nan 4.420 nan 0.000 0.271 830 P C -0.644 176.411 177.300 -0.409 0.000 1.216 830 P CA 0.302 62.805 63.100 -0.995 0.000 0.771 830 P CB 0.553 31.575 31.700 -1.130 0.000 0.864 831 I N 5.410 125.827 120.570 -0.255 0.000 2.557 831 I HA 0.172 4.342 4.170 -0.001 0.000 0.277 831 I C -1.773 174.280 176.117 -0.107 0.000 1.106 831 I CA -2.401 58.823 61.300 -0.127 0.000 1.180 831 I CB 1.005 38.989 38.000 -0.026 0.000 1.392 831 I HN 0.191 nan 8.210 nan 0.000 0.506 832 P HA 0.005 nan 4.420 nan 0.000 0.231 832 P C 0.991 178.272 177.300 -0.032 0.000 1.168 832 P CA 0.918 63.960 63.100 -0.097 0.000 0.779 832 P CB 0.605 32.222 31.700 -0.138 0.000 0.844 833 S N -3.472 112.209 115.700 -0.031 0.000 2.483 833 S HA 0.472 4.942 4.470 -0.001 0.000 0.280 833 S C 0.581 175.275 174.600 0.155 0.000 1.059 833 S CA 0.304 58.542 58.200 0.064 0.000 1.359 833 S CB 0.295 63.557 63.200 0.103 0.000 1.171 833 S HN 0.293 nan 8.310 nan 0.000 0.625 834 G N 1.588 110.478 108.800 0.149 0.000 2.387 834 G HA2 0.553 4.512 3.960 -0.001 0.000 0.294 834 G HA3 0.553 4.512 3.960 -0.001 0.000 0.294 834 G C -1.466 173.680 174.900 0.411 0.000 1.509 834 G CA -0.444 44.876 45.100 0.366 0.000 0.806 834 G HN 0.843 nan 8.290 nan 0.000 0.546 835 M N -0.572 119.297 119.600 0.447 0.000 2.578 835 M HA 0.905 5.384 4.480 -0.001 0.000 0.276 835 M C -1.672 174.876 176.300 0.412 0.000 1.245 835 M CA -1.042 54.487 55.300 0.382 0.000 0.871 835 M CB 2.561 35.288 32.600 0.211 0.000 1.722 835 M HN 1.157 nan 8.290 nan 0.000 0.473 836 F N 0.707 120.805 119.950 0.246 0.000 2.668 836 F HA 0.899 5.425 4.527 -0.001 0.000 0.309 836 F C -1.707 174.227 175.800 0.223 0.000 1.117 836 F CA -1.195 56.883 58.000 0.131 0.000 0.951 836 F CB 1.133 40.117 39.000 -0.027 0.000 1.323 836 F HN 0.777 nan 8.300 nan 0.000 0.451 837 I N -0.131 120.673 120.570 0.389 0.000 2.785 837 I HA 0.891 5.060 4.170 -0.001 0.000 0.302 837 I C -1.360 174.947 176.117 0.316 0.000 1.069 837 I CA -0.888 60.602 61.300 0.316 0.000 1.045 837 I CB 2.386 40.485 38.000 0.164 0.000 1.236 837 I HN 0.958 nan 8.210 nan 0.000 0.429 838 E N 1.999 122.368 120.200 0.282 0.000 2.407 838 E HA 0.546 4.896 4.350 -0.001 0.000 0.279 838 E C -2.076 174.610 176.600 0.144 0.000 1.012 838 E CA -0.823 55.689 56.400 0.186 0.000 0.800 838 E CB 2.281 32.086 29.700 0.175 0.000 1.276 838 E HN 0.751 nan 8.360 nan 0.000 0.452 839 D N 0.548 121.001 120.400 0.089 0.000 2.846 839 D HA 0.452 5.091 4.640 -0.001 0.000 0.273 839 D C 0.823 177.153 176.300 0.050 0.000 1.145 839 D CA -0.163 53.881 54.000 0.073 0.000 1.091 839 D CB 0.096 40.931 40.800 0.058 0.000 1.364 839 D HN 0.447 nan 8.370 nan 0.000 0.613 840 A N -0.720 122.123 122.820 0.038 0.000 2.019 840 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 840 A C 1.480 179.070 177.584 0.010 0.000 1.164 840 A CA 1.470 53.521 52.037 0.024 0.000 0.644 840 A CB -0.713 18.299 19.000 0.021 0.000 0.805 840 A HN 0.528 nan 8.150 nan 0.000 0.449 841 N N -1.720 116.985 118.700 0.008 0.000 2.332 841 N HA 0.064 4.803 4.740 -0.001 0.000 0.190 841 N C -0.510 174.991 175.510 -0.014 0.000 1.117 841 N CA 0.641 53.689 53.050 -0.005 0.000 0.883 841 N CB 0.780 39.266 38.487 -0.002 0.000 1.089 841 N HN 0.297 nan 8.380 nan 0.000 0.480 842 T N 0.610 115.161 114.554 -0.006 0.000 2.912 842 T HA 0.406 4.755 4.350 -0.001 0.000 0.299 842 T C -0.619 174.074 174.700 -0.011 0.000 1.052 842 T CA -0.646 61.444 62.100 -0.016 0.000 0.996 842 T CB 2.862 71.726 68.868 -0.007 0.000 1.070 842 T HN -0.036 nan 8.240 nan 0.000 0.465 843 R N 2.162 122.638 120.500 -0.041 0.000 2.621 843 R HA 0.718 5.057 4.340 -0.001 0.000 0.292 843 R C -1.862 174.414 176.300 -0.040 0.000 0.969 843 R CA -0.903 55.173 56.100 -0.040 0.000 0.887 843 R CB 1.207 31.418 30.300 -0.148 0.000 1.180 843 R HN 0.448 nan 8.270 nan 0.000 0.450 844 L N 2.942 124.173 121.223 0.013 0.000 2.325 844 L HA 0.473 4.813 4.340 -0.001 0.000 0.281 844 L C -1.218 175.689 176.870 0.063 0.000 1.004 844 L CA 0.073 54.915 54.840 0.003 0.000 0.823 844 L CB 2.176 44.226 42.059 -0.014 0.000 1.236 844 L HN 0.640 nan 8.230 nan 0.000 0.415 845 T N 5.713 120.282 114.554 0.025 0.000 2.779 845 T HA 0.534 4.883 4.350 -0.001 0.000 0.280 845 T C -0.942 173.818 174.700 0.101 0.000 0.987 845 T CA -0.259 61.890 62.100 0.082 0.000 0.966 845 T CB 1.323 70.158 68.868 -0.054 0.000 0.933 845 T HN 0.423 nan 8.240 nan 0.000 0.442 846 L N 5.389 126.709 121.223 0.161 0.000 2.294 846 L HA 0.504 4.844 4.340 -0.001 0.000 0.283 846 L C -1.186 175.829 176.870 0.242 0.000 1.015 846 L CA -0.682 54.263 54.840 0.176 0.000 0.831 846 L CB 0.415 42.553 42.059 0.132 0.000 1.217 846 L HN 0.416 nan 8.230 nan 0.000 0.420 847 L N 4.029 125.395 121.223 0.239 0.000 2.343 847 L HA 0.636 4.976 4.340 -0.001 0.000 0.275 847 L C 0.210 177.230 176.870 0.250 0.000 1.056 847 L CA -0.194 54.787 54.840 0.235 0.000 0.804 847 L CB 1.439 43.602 42.059 0.175 0.000 1.203 847 L HN 0.585 nan 8.230 nan 0.000 0.440 848 T N 0.468 115.123 114.554 0.169 0.000 2.876 848 T HA 0.445 4.795 4.350 -0.001 0.000 0.289 848 T C 0.793 175.460 174.700 -0.055 0.000 1.014 848 T CA -0.381 61.745 62.100 0.044 0.000 0.986 848 T CB 1.924 70.844 68.868 0.087 0.000 1.021 848 T HN 0.778 nan 8.240 nan 0.000 0.458 849 G N 1.872 110.563 108.800 -0.182 0.000 3.314 849 G HA2 0.340 4.299 3.960 -0.001 0.000 0.238 849 G HA3 0.340 4.299 3.960 -0.001 0.000 0.238 849 G C 0.152 174.987 174.900 -0.109 0.000 1.184 849 G CA -0.221 44.802 45.100 -0.129 0.000 0.806 849 G HN 0.595 nan 8.290 nan 0.000 0.536 850 Q N -0.274 119.460 119.800 -0.109 0.000 2.438 850 Q HA 0.284 4.624 4.340 -0.001 0.000 0.272 850 Q C -3.537 172.434 176.000 -0.048 0.000 0.994 850 Q CA -2.343 53.424 55.803 -0.060 0.000 0.887 850 Q CB 1.833 30.552 28.738 -0.032 0.000 1.432 850 Q HN -0.008 nan 8.270 nan 0.000 0.392 851 P HA 0.434 nan 4.420 nan 0.000 0.276 851 P C -0.675 176.623 177.300 -0.002 0.000 1.235 851 P CA -0.107 62.988 63.100 -0.009 0.000 0.772 851 P CB 0.965 32.669 31.700 0.007 0.000 0.871 852 L N 1.731 122.946 121.223 -0.013 0.000 2.397 852 L HA 0.707 5.047 4.340 -0.001 0.000 0.251 852 L C 0.767 177.659 176.870 0.036 0.000 1.064 852 L CA -1.156 53.698 54.840 0.024 0.000 0.859 852 L CB 1.849 43.912 42.059 0.006 0.000 1.468 852 L HN 0.318 nan 8.230 nan 0.000 0.411 853 G N -1.106 107.775 108.800 0.135 0.000 2.400 853 G HA2 0.680 4.640 3.960 -0.001 0.000 0.301 853 G HA3 0.680 4.640 3.960 -0.001 0.000 0.301 853 G C -0.596 174.376 174.900 0.122 0.000 1.154 853 G CA 0.010 45.256 45.100 0.242 0.000 0.852 853 G HN 0.859 nan 8.290 nan 0.000 0.511 854 G N -1.328 107.372 108.800 -0.167 0.000 2.600 854 G HA2 0.678 4.637 3.960 -0.001 0.000 0.293 854 G HA3 0.678 4.637 3.960 -0.001 0.000 0.293 854 G C -1.223 173.239 174.900 -0.729 0.000 1.408 854 G CA 0.348 45.143 45.100 -0.509 0.000 0.782 854 G HN 1.221 nan 8.290 nan 0.000 0.482 855 S N -1.824 113.474 115.700 -0.670 0.000 2.661 855 S HA 0.734 5.204 4.470 -0.001 0.000 0.268 855 S C -1.481 172.655 174.600 -0.774 0.000 1.162 855 S CA 0.254 58.055 58.200 -0.665 0.000 0.817 855 S CB 1.386 64.228 63.200 -0.596 0.000 1.141 855 S HN 1.490 nan 8.310 nan 0.000 0.477 856 S N 1.649 116.615 115.700 -1.224 0.000 2.718 856 S HA 0.494 4.963 4.470 -0.001 0.000 0.294 856 S C 0.201 174.532 174.600 -0.449 0.000 1.157 856 S CA -0.651 57.090 58.200 -0.765 0.000 1.121 856 S CB -0.013 62.659 63.200 -0.881 0.000 1.015 856 S HN 0.581 nan 8.310 nan 0.000 0.479 857 L N 3.243 124.343 121.223 -0.206 0.000 2.558 857 L HA 0.485 4.824 4.340 -0.001 0.000 0.225 857 L C 0.840 177.691 176.870 -0.031 0.000 1.128 857 L CA 0.216 55.019 54.840 -0.061 0.000 0.868 857 L CB 0.004 42.085 42.059 0.038 0.000 1.006 857 L HN 0.706 nan 8.230 nan 0.000 0.454 858 A N -1.196 121.591 122.820 -0.054 0.000 2.604 858 A HA 0.434 4.753 4.320 -0.001 0.000 0.295 858 A C -0.448 177.119 177.584 -0.029 0.000 1.067 858 A CA -0.441 51.581 52.037 -0.026 0.000 0.683 858 A CB 1.197 20.186 19.000 -0.018 0.000 1.281 858 A HN -0.144 nan 8.150 nan 0.000 0.407 859 S N 0.036 115.732 115.700 -0.006 0.000 2.563 859 S HA 0.392 4.862 4.470 -0.001 0.000 0.294 859 S C 1.543 176.147 174.600 0.006 0.000 1.279 859 S CA 1.967 60.172 58.200 0.008 0.000 1.069 859 S CB -0.182 63.026 63.200 0.013 0.000 0.828 859 S HN 2.652 nan 8.310 nan 0.000 0.497 860 G N 3.618 112.425 108.800 0.013 0.000 2.179 860 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.260 860 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.260 860 G C -0.191 174.693 174.900 -0.026 0.000 0.977 860 G CA 0.445 45.554 45.100 0.014 0.000 0.641 860 G HN 0.717 nan 8.290 nan 0.000 0.533 861 E N -0.333 119.833 120.200 -0.056 0.000 2.212 861 E HA 0.765 5.114 4.350 -0.001 0.000 0.270 861 E C -0.210 176.308 176.600 -0.135 0.000 0.956 861 E CA -0.732 55.612 56.400 -0.094 0.000 0.825 861 E CB 1.884 31.529 29.700 -0.093 0.000 1.167 861 E HN 0.250 nan 8.360 nan 0.000 0.400 862 L N 1.711 122.848 121.223 -0.143 0.000 2.388 862 L HA 0.472 4.812 4.340 -0.001 0.000 0.264 862 L C -0.527 176.251 176.870 -0.153 0.000 0.998 862 L CA -0.658 54.084 54.840 -0.162 0.000 0.817 862 L CB 1.990 43.983 42.059 -0.109 0.000 1.338 862 L HN 0.682 nan 8.230 nan 0.000 0.414 863 E N 2.845 122.950 120.200 -0.160 0.000 2.390 863 E HA 0.689 5.039 4.350 -0.001 0.000 0.277 863 E C -1.543 175.005 176.600 -0.086 0.000 0.939 863 E CA -0.838 55.503 56.400 -0.098 0.000 0.769 863 E CB 3.358 33.045 29.700 -0.021 0.000 1.251 863 E HN 0.530 nan 8.360 nan 0.000 0.450 864 I N 2.340 122.900 120.570 -0.018 0.000 2.571 864 I HA 0.299 4.469 4.170 -0.001 0.000 0.289 864 I C -1.336 174.850 176.117 0.115 0.000 1.115 864 I CA -1.116 60.204 61.300 0.033 0.000 1.045 864 I CB 1.885 39.902 38.000 0.028 0.000 1.238 864 I HN 0.783 nan 8.210 nan 0.000 0.424 865 M N 6.526 126.235 119.600 0.183 0.000 2.228 865 M HA 0.209 4.688 4.480 -0.001 0.000 0.351 865 M C 0.530 176.932 176.300 0.169 0.000 1.233 865 M CA 0.657 56.067 55.300 0.183 0.000 1.129 865 M CB 0.879 33.549 32.600 0.117 0.000 1.604 865 M HN 0.568 nan 8.290 nan 0.000 0.457 866 Q N 1.537 121.473 119.800 0.227 0.000 2.324 866 Q HA 0.266 4.605 4.340 -0.001 0.000 0.207 866 Q C -0.310 175.916 176.000 0.376 0.000 0.928 866 Q CA 0.754 56.764 55.803 0.345 0.000 0.890 866 Q CB 0.457 29.439 28.738 0.406 0.000 1.001 866 Q HN 0.770 nan 8.270 nan 0.000 0.517 867 D N -0.871 119.676 120.400 0.245 0.000 2.694 867 D HA 0.290 4.929 4.640 -0.001 0.000 0.260 867 D C -1.422 174.959 176.300 0.135 0.000 1.250 867 D CA -0.458 53.662 54.000 0.200 0.000 0.763 867 D CB 1.420 42.330 40.800 0.185 0.000 1.311 867 D HN 0.033 nan 8.370 nan 0.000 0.420 868 R N 0.710 121.279 120.500 0.114 0.000 2.566 868 R HA 0.675 5.015 4.340 -0.001 0.000 0.271 868 R C -1.112 175.240 176.300 0.086 0.000 1.071 868 R CA -1.059 55.093 56.100 0.086 0.000 0.915 868 R CB 2.043 32.369 30.300 0.044 0.000 1.228 868 R HN 0.309 nan 8.270 nan 0.000 0.449 869 R N 3.682 124.230 120.500 0.079 0.000 2.473 869 R HA 0.428 4.767 4.340 -0.001 0.000 0.303 869 R C -1.465 174.873 176.300 0.063 0.000 1.002 869 R CA -0.534 55.608 56.100 0.070 0.000 0.884 869 R CB 1.170 31.508 30.300 0.062 0.000 1.173 869 R HN 0.700 nan 8.270 nan 0.000 0.464 870 L N 3.652 124.910 121.223 0.059 0.000 2.356 870 L HA 0.560 4.899 4.340 -0.001 0.000 0.277 870 L C 0.680 177.577 176.870 0.045 0.000 0.996 870 L CA -0.539 54.333 54.840 0.053 0.000 0.822 870 L CB 2.134 44.226 42.059 0.054 0.000 1.256 870 L HN 0.756 nan 8.230 nan 0.000 0.413 871 A N 1.594 124.437 122.820 0.039 0.000 2.275 871 A HA 0.320 4.639 4.320 -0.001 0.000 0.212 871 A C 0.689 178.291 177.584 0.030 0.000 1.201 871 A CA 0.169 52.226 52.037 0.034 0.000 0.843 871 A CB 0.096 19.114 19.000 0.029 0.000 0.873 871 A HN 0.589 nan 8.150 nan 0.000 0.492 872 S N 0.018 115.736 115.700 0.031 0.000 2.532 872 S HA 0.410 4.880 4.470 -0.001 0.000 0.301 872 S C -0.815 173.805 174.600 0.033 0.000 1.083 872 S CA -0.661 57.555 58.200 0.027 0.000 1.025 872 S CB 1.556 64.768 63.200 0.019 0.000 1.056 872 S HN 0.470 nan 8.310 nan 0.000 0.494 873 D N 0.777 121.197 120.400 0.033 0.000 2.372 873 D HA 0.167 4.806 4.640 -0.001 0.000 0.243 873 D C 0.090 176.410 176.300 0.033 0.000 1.121 873 D CA -0.208 53.819 54.000 0.045 0.000 0.898 873 D CB 0.680 41.505 40.800 0.042 0.000 1.202 873 D HN 0.510 nan 8.370 nan 0.000 0.428 874 D N 2.047 122.473 120.400 0.043 0.000 2.427 874 D HA 0.041 4.681 4.640 -0.001 0.000 0.224 874 D C -0.300 175.973 176.300 -0.045 0.000 1.157 874 D CA -0.216 53.780 54.000 -0.005 0.000 0.828 874 D CB -0.417 40.372 40.800 -0.018 0.000 0.974 874 D HN 0.663 nan 8.370 nan 0.000 0.498 875 E N -0.201 119.994 120.200 -0.009 0.000 2.791 875 E HA -0.208 4.141 4.350 -0.001 0.000 0.271 875 E C 0.081 176.653 176.600 -0.047 0.000 1.044 875 E CA 0.202 56.594 56.400 -0.013 0.000 0.814 875 E CB -0.759 28.930 29.700 -0.018 0.000 1.400 875 E HN 0.247 nan 8.360 nan 0.000 0.423 876 R N -0.445 119.995 120.500 -0.100 0.000 2.586 876 R HA 0.224 4.564 4.340 -0.001 0.000 0.336 876 R C 1.325 177.671 176.300 0.076 0.000 1.060 876 R CA 0.599 56.562 56.100 -0.228 0.000 1.079 876 R CB 0.837 30.561 30.300 -0.960 0.000 1.317 876 R HN 0.412 nan 8.270 nan 0.000 0.568 877 G N 0.612 109.543 108.800 0.219 0.000 2.195 877 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.224 877 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.224 877 G C 0.732 175.741 174.900 0.182 0.000 0.990 877 G CA 0.201 45.509 45.100 0.346 0.000 0.639 877 G HN 0.312 nan 8.290 nan 0.000 0.514 878 L N 1.398 122.805 121.223 0.307 0.000 2.093 878 L HA 0.441 4.781 4.340 -0.001 0.000 0.208 878 L C 2.264 179.125 176.870 -0.016 0.000 1.085 878 L CA 2.751 57.657 54.840 0.110 0.000 0.755 878 L CB -0.656 41.608 42.059 0.342 0.000 0.904 878 L HN 1.665 nan 8.230 nan 0.000 0.435 879 G N -0.399 108.425 108.800 0.041 0.000 2.198 879 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.260 879 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.260 879 G C 0.076 174.986 174.900 0.016 0.000 1.025 879 G CA 0.677 45.784 45.100 0.012 0.000 0.769 879 G HN 0.761 nan 8.290 nan 0.000 0.507 880 Q N -2.065 117.758 119.800 0.038 0.000 2.633 880 Q HA 0.683 5.023 4.340 -0.001 0.000 0.289 880 Q C 0.377 176.408 176.000 0.051 0.000 0.940 880 Q CA -0.615 55.210 55.803 0.037 0.000 0.785 880 Q CB 0.521 29.278 28.738 0.032 0.000 1.467 880 Q HN 0.913 nan 8.270 nan 0.000 0.401 881 G N 0.107 108.934 108.800 0.046 0.000 2.531 881 G HA2 0.533 4.493 3.960 -0.001 0.000 0.253 881 G HA3 0.533 4.493 3.960 -0.001 0.000 0.253 881 G C -0.971 173.960 174.900 0.053 0.000 1.439 881 G CA -0.648 44.482 45.100 0.049 0.000 1.056 881 G HN 0.408 nan 8.290 nan 0.000 0.555 882 V N 0.749 120.696 119.914 0.055 0.000 2.325 882 V HA 0.392 4.511 4.120 -0.001 0.000 0.280 882 V C -0.051 176.082 176.094 0.065 0.000 1.016 882 V CA -0.169 62.170 62.300 0.065 0.000 0.818 882 V CB 0.996 32.861 31.823 0.070 0.000 1.019 882 V HN 0.539 nan 8.190 nan 0.000 0.434 883 L N 3.788 125.049 121.223 0.063 0.000 3.439 883 L HA 0.335 4.674 4.340 -0.001 0.000 0.313 883 L C 0.302 177.205 176.870 0.055 0.000 1.292 883 L CA 0.012 54.885 54.840 0.055 0.000 1.020 883 L CB 0.846 42.931 42.059 0.044 0.000 1.424 883 L HN 0.691 nan 8.230 nan 0.000 0.612 884 D N -2.219 118.223 120.400 0.070 0.000 2.670 884 D HA 0.084 4.723 4.640 -0.001 0.000 0.255 884 D C 0.053 176.400 176.300 0.079 0.000 1.286 884 D CA -0.461 53.581 54.000 0.070 0.000 0.830 884 D CB -0.346 40.503 40.800 0.083 0.000 1.065 884 D HN 0.064 nan 8.370 nan 0.000 0.486 885 N N 1.628 120.371 118.700 0.073 0.000 2.454 885 N HA 0.141 4.880 4.740 -0.001 0.000 0.254 885 N C 0.084 175.607 175.510 0.022 0.000 1.228 885 N CA 0.253 53.346 53.050 0.072 0.000 0.900 885 N CB 0.754 39.282 38.487 0.068 0.000 1.089 885 N HN 0.287 nan 8.380 nan 0.000 0.449 886 K N 0.097 120.495 120.400 -0.003 0.000 2.477 886 K HA 0.574 4.893 4.320 -0.001 0.000 0.255 886 K C -3.173 173.400 176.600 -0.045 0.000 0.952 886 K CA -2.100 54.136 56.287 -0.085 0.000 0.826 886 K CB 1.295 33.642 32.500 -0.255 0.000 1.331 886 K HN 0.138 nan 8.250 nan 0.000 0.437 887 P HA -0.033 nan 4.420 nan 0.000 0.264 887 P C -0.998 176.328 177.300 0.043 0.000 1.183 887 P CA -0.415 62.667 63.100 -0.030 0.000 0.763 887 P CB 0.692 32.360 31.700 -0.054 0.000 0.807 888 V N 5.074 124.980 119.914 -0.013 0.000 2.760 888 V HA 0.445 4.564 4.120 -0.001 0.000 0.309 888 V C -1.249 174.724 176.094 -0.203 0.000 1.077 888 V CA -1.118 61.160 62.300 -0.038 0.000 0.910 888 V CB 2.075 33.866 31.823 -0.054 0.000 1.008 888 V HN 0.295 nan 8.190 nan 0.000 0.424 889 L N 7.191 128.325 121.223 -0.149 0.000 2.270 889 L HA 0.573 4.912 4.340 -0.001 0.000 0.286 889 L C -0.318 176.529 176.870 -0.038 0.000 1.059 889 L CA 0.187 54.965 54.840 -0.103 0.000 0.839 889 L CB 0.184 42.204 42.059 -0.065 0.000 1.221 889 L HN 0.689 nan 8.230 nan 0.000 0.431 890 H N 5.795 124.882 119.070 0.028 0.000 2.610 890 H HA 0.455 5.010 4.556 -0.001 0.000 0.336 890 H C -0.083 175.136 175.328 -0.183 0.000 1.087 890 H CA -0.213 55.793 56.048 -0.070 0.000 1.405 890 H CB 1.133 30.925 29.762 0.050 0.000 1.460 890 H HN 0.690 nan 8.280 nan 0.000 0.538 891 I N 0.323 120.728 120.570 -0.275 0.000 2.646 891 I HA 0.592 4.761 4.170 -0.001 0.000 0.299 891 I C -1.391 174.385 176.117 -0.568 0.000 1.036 891 I CA -0.945 60.206 61.300 -0.248 0.000 1.074 891 I CB 1.989 39.931 38.000 -0.097 0.000 1.258 891 I HN 0.218 nan 8.210 nan 0.000 0.430 892 Y N 2.864 123.210 120.300 0.076 0.000 2.655 892 Y HA 0.702 5.252 4.550 -0.001 0.000 0.336 892 Y C -0.552 175.395 175.900 0.077 0.000 1.154 892 Y CA -1.091 57.060 58.100 0.086 0.000 1.055 892 Y CB 1.573 40.106 38.460 0.122 0.000 1.295 892 Y HN 0.422 nan 8.280 nan 0.000 0.465 893 R N 1.316 121.974 120.500 0.264 0.000 2.686 893 R HA 0.617 4.957 4.340 -0.001 0.000 0.286 893 R C -1.946 174.466 176.300 0.187 0.000 0.969 893 R CA -1.132 55.076 56.100 0.181 0.000 0.898 893 R CB 2.693 33.059 30.300 0.110 0.000 1.183 893 R HN 0.622 nan 8.270 nan 0.000 0.456 894 L N 2.345 123.661 121.223 0.155 0.000 2.343 894 L HA 0.451 4.790 4.340 -0.001 0.000 0.278 894 L C -1.226 175.681 176.870 0.063 0.000 0.996 894 L CA -0.619 54.295 54.840 0.124 0.000 0.831 894 L CB 1.912 44.070 42.059 0.164 0.000 1.232 894 L HN 0.318 nan 8.230 nan 0.000 0.413 895 V N 6.273 126.205 119.914 0.030 0.000 2.376 895 V HA 0.431 4.550 4.120 -0.001 0.000 0.287 895 V C -0.431 175.641 176.094 -0.036 0.000 1.015 895 V CA -0.573 61.722 62.300 -0.008 0.000 0.834 895 V CB 1.487 33.295 31.823 -0.025 0.000 1.001 895 V HN 0.655 nan 8.190 nan 0.000 0.428 896 L N 5.169 126.368 121.223 -0.041 0.000 2.282 896 L HA 0.692 5.032 4.340 -0.001 0.000 0.288 896 L C -0.204 176.628 176.870 -0.063 0.000 1.033 896 L CA 0.554 55.360 54.840 -0.056 0.000 0.807 896 L CB 1.244 43.269 42.059 -0.057 0.000 1.209 896 L HN 0.705 nan 8.230 nan 0.000 0.423 897 E N 3.675 123.830 120.200 -0.076 0.000 2.314 897 E HA 0.303 4.652 4.350 -0.001 0.000 0.272 897 E C -1.430 175.126 176.600 -0.074 0.000 0.884 897 E CA -1.042 55.309 56.400 -0.083 0.000 0.753 897 E CB 2.159 31.790 29.700 -0.114 0.000 1.213 897 E HN 0.411 nan 8.360 nan 0.000 0.432 898 K N 1.808 122.169 120.400 -0.066 0.000 2.349 898 K HA 0.135 4.455 4.320 -0.001 0.000 0.288 898 K C 0.377 176.937 176.600 -0.067 0.000 1.058 898 K CA -0.004 56.249 56.287 -0.057 0.000 0.953 898 K CB 0.487 32.958 32.500 -0.049 0.000 0.997 898 K HN 0.405 nan 8.250 nan 0.000 0.477 899 V N 1.835 121.711 119.914 -0.063 0.000 3.253 899 V HA 0.053 4.172 4.120 -0.001 0.000 0.320 899 V C 1.228 177.291 176.094 -0.053 0.000 1.442 899 V CA -0.069 62.187 62.300 -0.074 0.000 1.097 899 V CB -0.179 31.585 31.823 -0.099 0.000 1.008 899 V HN 0.827 nan 8.190 nan 0.000 0.463 900 N N 1.541 120.218 118.700 -0.038 0.000 2.289 900 N HA -0.192 4.548 4.740 -0.001 0.000 0.184 900 N C 1.039 176.530 175.510 -0.030 0.000 1.016 900 N CA 1.735 54.769 53.050 -0.027 0.000 0.872 900 N CB -0.549 37.927 38.487 -0.019 0.000 0.973 900 N HN 0.548 nan 8.380 nan 0.000 0.433 901 N N 0.128 118.805 118.700 -0.038 0.000 2.412 901 N HA 0.042 4.781 4.740 -0.001 0.000 0.184 901 N C -0.077 175.404 175.510 -0.049 0.000 1.101 901 N CA 0.007 53.033 53.050 -0.040 0.000 0.881 901 N CB -0.059 38.404 38.487 -0.040 0.000 0.969 901 N HN 0.249 nan 8.380 nan 0.000 0.459 902 c N 1.010 119.576 118.600 -0.058 0.000 2.539 902 c HA 0.290 4.859 4.570 -0.001 0.000 0.392 902 c C 1.021 175.074 174.090 -0.061 0.000 1.269 902 c CA -0.924 55.362 56.329 -0.071 0.000 2.250 902 c CB 1.103 43.556 42.510 -0.094 0.000 2.584 902 c HN 0.001 nan 8.230 nan 0.000 0.589 903 V N 4.855 124.728 119.914 -0.069 0.000 2.356 903 V HA 0.257 4.376 4.120 -0.001 0.000 0.258 903 V C 0.549 176.605 176.094 -0.063 0.000 1.065 903 V CA 0.256 62.520 62.300 -0.061 0.000 0.935 903 V CB -0.524 31.259 31.823 -0.067 0.000 1.061 903 V HN 0.789 nan 8.190 nan 0.000 0.484 904 R N 4.576 125.052 120.500 -0.040 0.000 2.758 904 R HA 0.562 4.901 4.340 -0.001 0.000 0.265 904 R C -2.472 173.822 176.300 -0.010 0.000 1.016 904 R CA -1.846 54.239 56.100 -0.025 0.000 1.040 904 R CB 1.284 31.574 30.300 -0.017 0.000 1.152 904 R HN 0.392 nan 8.270 nan 0.000 0.503 905 P HA -0.021 nan 4.420 nan 0.000 0.271 905 P C -0.433 176.906 177.300 0.064 0.000 1.233 905 P CA -0.278 62.808 63.100 -0.023 0.000 0.789 905 P CB 0.578 32.180 31.700 -0.162 0.000 0.951 906 S N 0.283 116.049 115.700 0.110 0.000 2.634 906 S HA 0.151 4.620 4.470 -0.001 0.000 0.261 906 S C 1.036 175.715 174.600 0.133 0.000 1.271 906 S CA -0.303 57.963 58.200 0.109 0.000 0.985 906 S CB 0.400 63.663 63.200 0.104 0.000 0.968 906 S HN 0.287 nan 8.310 nan 0.000 0.568 907 K N 0.126 120.585 120.400 0.099 0.000 2.211 907 K HA 0.023 4.342 4.320 -0.001 0.000 0.204 907 K C 1.443 178.094 176.600 0.085 0.000 1.047 907 K CA 1.249 57.590 56.287 0.089 0.000 0.935 907 K CB -0.586 31.950 32.500 0.061 0.000 0.728 907 K HN 0.539 nan 8.250 nan 0.000 0.452 908 L N -0.016 121.260 121.223 0.089 0.000 2.567 908 L HA 0.051 4.391 4.340 -0.001 0.000 0.225 908 L C 1.027 177.943 176.870 0.076 0.000 1.119 908 L CA -0.170 54.706 54.840 0.059 0.000 0.871 908 L CB -0.326 41.755 42.059 0.038 0.000 1.036 908 L HN 0.251 nan 8.230 nan 0.000 0.459 909 H N 3.217 122.321 119.070 0.056 0.000 2.722 909 H HA 0.107 4.663 4.556 -0.001 0.000 0.328 909 H C -1.663 173.701 175.328 0.060 0.000 1.067 909 H CA -1.383 54.711 56.048 0.077 0.000 1.447 909 H CB 1.875 31.710 29.762 0.122 0.000 1.469 909 H HN -0.074 nan 8.280 nan 0.000 0.544 910 P HA 0.144 nan 4.420 nan 0.000 0.249 910 P C -0.391 176.999 177.300 0.149 0.000 1.229 910 P CA 0.123 63.246 63.100 0.038 0.000 0.788 910 P CB 0.499 32.151 31.700 -0.080 0.000 1.072 911 A N -0.238 122.832 122.820 0.417 0.000 2.311 911 A HA 0.744 5.063 4.320 -0.001 0.000 0.334 911 A C 0.243 177.868 177.584 0.068 0.000 1.139 911 A CA -0.374 51.781 52.037 0.197 0.000 0.830 911 A CB 1.170 20.267 19.000 0.160 0.000 1.234 911 A HN 0.163 nan 8.150 nan 0.000 0.483 912 G N -1.130 107.597 108.800 -0.123 0.000 2.630 912 G HA2 0.638 4.598 3.960 -0.001 0.000 0.296 912 G HA3 0.638 4.598 3.960 -0.001 0.000 0.296 912 G C -1.737 172.786 174.900 -0.627 0.000 1.285 912 G CA -0.415 44.506 45.100 -0.299 0.000 0.958 912 G HN 0.521 nan 8.290 nan 0.000 0.479 913 Y N -0.945 119.313 120.300 -0.070 0.000 2.524 913 Y HA 0.501 5.050 4.550 -0.001 0.000 0.347 913 Y C 0.385 176.044 175.900 -0.402 0.000 1.005 913 Y CA -0.835 57.165 58.100 -0.165 0.000 1.025 913 Y CB 2.007 40.358 38.460 -0.182 0.000 1.275 913 Y HN 0.338 nan 8.280 nan 0.000 0.460 914 L N 1.901 122.967 121.223 -0.262 0.000 2.453 914 L HA 0.367 4.706 4.340 -0.001 0.000 0.261 914 L C 0.739 177.451 176.870 -0.264 0.000 1.179 914 L CA -0.582 54.014 54.840 -0.407 0.000 0.813 914 L CB 0.747 42.649 42.059 -0.262 0.000 1.110 914 L HN 0.794 nan 8.230 nan 0.000 0.466 915 T N -2.472 111.913 114.554 -0.281 0.000 2.816 915 T HA 0.039 4.389 4.350 -0.001 0.000 0.282 915 T C 1.179 175.823 174.700 -0.093 0.000 0.993 915 T CA -0.135 61.856 62.100 -0.181 0.000 0.994 915 T CB 1.425 70.183 68.868 -0.184 0.000 1.025 915 T HN 0.622 nan 8.240 nan 0.000 0.529 916 S N 0.692 116.351 115.700 -0.068 0.000 2.365 916 S HA -0.172 4.297 4.470 -0.001 0.000 0.225 916 S C 2.389 176.997 174.600 0.012 0.000 1.039 916 S CA 1.613 59.807 58.200 -0.009 0.000 1.033 916 S CB -1.299 61.879 63.200 -0.038 0.000 0.887 916 S HN 0.946 nan 8.310 nan 0.000 0.447 917 A N 1.240 124.043 122.820 -0.028 0.000 1.908 917 A HA 0.111 4.430 4.320 -0.001 0.000 0.218 917 A C 2.469 180.045 177.584 -0.014 0.000 1.181 917 A CA 2.105 54.128 52.037 -0.024 0.000 0.627 917 A CB -1.368 17.608 19.000 -0.040 0.000 0.818 917 A HN 0.846 nan 8.150 nan 0.000 0.445 918 A N -1.737 121.063 122.820 -0.033 0.000 1.929 918 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 918 A C 2.083 179.698 177.584 0.052 0.000 1.176 918 A CA 1.464 53.486 52.037 -0.024 0.000 0.628 918 A CB -0.865 18.067 19.000 -0.113 0.000 0.816 918 A HN 0.781 nan 8.150 nan 0.000 0.444 919 H N 0.195 119.250 119.070 -0.026 0.000 2.321 919 H HA -0.069 4.487 4.556 -0.001 0.000 0.300 919 H C 1.810 177.172 175.328 0.056 0.000 1.087 919 H CA 1.839 57.908 56.048 0.035 0.000 1.319 919 H CB -0.037 29.739 29.762 0.024 0.000 1.379 919 H HN 0.427 nan 8.280 nan 0.000 0.501 920 K N 0.220 120.573 120.400 -0.077 0.000 2.103 920 K HA -0.103 4.217 4.320 -0.001 0.000 0.207 920 K C 2.383 178.945 176.600 -0.063 0.000 1.048 920 K CA 0.940 57.167 56.287 -0.099 0.000 0.930 920 K CB -0.060 32.425 32.500 -0.024 0.000 0.716 920 K HN 0.279 nan 8.250 nan 0.000 0.444 921 A N 0.846 123.653 122.820 -0.022 0.000 1.898 921 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 921 A C 2.221 179.808 177.584 0.004 0.000 1.181 921 A CA 1.968 54.006 52.037 0.002 0.000 0.620 921 A CB -0.663 18.352 19.000 0.025 0.000 0.819 921 A HN 0.278 nan 8.150 nan 0.000 0.442 922 S N -0.633 115.076 115.700 0.017 0.000 2.359 922 S HA -0.251 4.219 4.470 -0.001 0.000 0.224 922 S C 2.148 176.736 174.600 -0.021 0.000 1.035 922 S CA 1.805 60.031 58.200 0.042 0.000 1.018 922 S CB -0.414 62.864 63.200 0.130 0.000 0.876 922 S HN 0.671 nan 8.310 nan 0.000 0.448 923 Q N 0.514 120.256 119.800 -0.095 0.000 2.170 923 Q HA -0.090 4.250 4.340 -0.001 0.000 0.203 923 Q C 2.490 178.434 176.000 -0.094 0.000 0.976 923 Q CA 1.616 57.358 55.803 -0.102 0.000 0.858 923 Q CB -0.292 28.360 28.738 -0.143 0.000 0.907 923 Q HN 0.816 nan 8.270 nan 0.000 0.433 924 S N 0.161 115.817 115.700 -0.073 0.000 2.423 924 S HA -0.085 4.385 4.470 -0.001 0.000 0.231 924 S C 1.844 176.382 174.600 -0.104 0.000 1.014 924 S CA 0.685 58.839 58.200 -0.077 0.000 0.965 924 S CB -0.206 62.969 63.200 -0.042 0.000 0.785 924 S HN 0.286 nan 8.310 nan 0.000 0.495 925 L N 0.064 121.235 121.223 -0.085 0.000 2.145 925 L HA 0.217 4.557 4.340 -0.001 0.000 0.201 925 L C 2.561 179.341 176.870 -0.151 0.000 1.075 925 L CA 0.741 55.523 54.840 -0.096 0.000 0.773 925 L CB -0.389 41.638 42.059 -0.052 0.000 0.936 925 L HN 0.285 nan 8.230 nan 0.000 0.451 926 L N -1.065 120.075 121.223 -0.139 0.000 2.162 926 L HA -0.005 4.335 4.340 -0.001 0.000 0.205 926 L C 0.180 176.878 176.870 -0.287 0.000 1.086 926 L CA 0.877 55.611 54.840 -0.176 0.000 0.778 926 L CB 0.049 42.041 42.059 -0.112 0.000 0.928 926 L HN 0.227 nan 8.230 nan 0.000 0.446 927 D N 0.066 120.285 120.400 -0.302 0.000 2.656 927 D HA 0.233 4.872 4.640 -0.001 0.000 0.303 927 D C -2.369 173.668 176.300 -0.439 0.000 1.199 927 D CA -0.982 52.753 54.000 -0.442 0.000 0.797 927 D CB 1.345 42.083 40.800 -0.104 0.000 1.170 927 D HN 0.046 nan 8.370 nan 0.000 0.509 928 P HA 0.129 nan 4.420 nan 0.000 0.274 928 P C 0.640 177.788 177.300 -0.253 0.000 1.256 928 P CA -0.497 62.407 63.100 -0.326 0.000 0.795 928 P CB 1.483 33.005 31.700 -0.297 0.000 1.038 929 L N 0.874 122.023 121.223 -0.123 0.000 2.483 929 L HA 0.076 4.415 4.340 -0.001 0.000 0.276 929 L C 0.872 177.747 176.870 0.008 0.000 1.213 929 L CA 0.445 55.270 54.840 -0.025 0.000 0.843 929 L CB -0.299 41.764 42.059 0.005 0.000 1.107 929 L HN 0.281 nan 8.230 nan 0.000 0.487 930 D N 2.959 123.450 120.400 0.151 0.000 2.210 930 D HA 0.317 4.957 4.640 -0.001 0.000 0.249 930 D C -0.316 176.029 176.300 0.075 0.000 1.062 930 D CA -0.269 53.803 54.000 0.120 0.000 0.891 930 D CB 1.603 42.562 40.800 0.267 0.000 1.186 930 D HN 0.357 nan 8.370 nan 0.000 0.432 931 K N 1.457 121.800 120.400 -0.096 0.000 2.292 931 K HA 0.478 4.797 4.320 -0.001 0.000 0.257 931 K C -0.942 175.622 176.600 -0.060 0.000 0.940 931 K CA -0.645 55.690 56.287 0.080 0.000 0.811 931 K CB 1.523 34.037 32.500 0.023 0.000 1.120 931 K HN 0.222 nan 8.250 nan 0.000 0.428 932 F N 2.347 122.512 119.950 0.358 0.000 2.532 932 F HA 0.514 5.040 4.527 -0.001 0.000 0.321 932 F C 0.029 176.120 175.800 0.485 0.000 1.089 932 F CA -0.933 57.268 58.000 0.334 0.000 0.926 932 F CB 1.323 40.376 39.000 0.089 0.000 1.168 932 F HN 0.192 nan 8.300 nan 0.000 0.459 933 I N 3.098 124.051 120.570 0.638 0.000 2.389 933 I HA 0.223 4.393 4.170 -0.001 0.000 0.288 933 I C -0.643 175.750 176.117 0.460 0.000 0.999 933 I CA -0.845 60.747 61.300 0.486 0.000 1.129 933 I CB 1.374 39.566 38.000 0.321 0.000 1.288 933 I HN 0.430 nan 8.210 nan 0.000 0.444 934 F N 5.669 125.769 119.950 0.250 0.000 2.578 934 F HA 0.186 4.713 4.527 -0.001 0.000 0.376 934 F C 1.152 176.874 175.800 -0.131 0.000 1.085 934 F CA 0.114 57.974 58.000 -0.234 0.000 1.260 934 F CB 1.189 40.093 39.000 -0.159 0.000 1.095 934 F HN 0.584 nan 8.300 nan 0.000 0.573 935 A N 4.151 126.348 122.820 -1.039 0.000 2.081 935 A HA 0.137 4.456 4.320 -0.001 0.000 0.214 935 A C 0.889 178.196 177.584 -0.462 0.000 1.158 935 A CA 0.366 52.060 52.037 -0.571 0.000 0.724 935 A CB -0.233 18.444 19.000 -0.539 0.000 0.826 935 A HN 0.669 nan 8.150 nan 0.000 0.463 936 E N -0.523 119.258 120.200 -0.698 0.000 2.446 936 E HA 0.233 4.583 4.350 -0.001 0.000 0.251 936 E C 0.060 176.797 176.600 0.229 0.000 1.087 936 E CA -0.788 55.536 56.400 -0.126 0.000 0.937 936 E CB 0.209 29.892 29.700 -0.028 0.000 1.254 936 E HN 0.140 nan 8.360 nan 0.000 0.479 937 N N 0.505 119.350 118.700 0.242 0.000 2.250 937 N HA -0.073 4.666 4.740 -0.001 0.000 0.181 937 N C -0.088 175.621 175.510 0.332 0.000 1.017 937 N CA 0.864 54.067 53.050 0.255 0.000 0.866 937 N CB 0.390 38.973 38.487 0.161 0.000 0.985 937 N HN 0.423 nan 8.380 nan 0.000 0.429 938 E N -0.785 119.641 120.200 0.377 0.000 2.275 938 E HA 0.129 4.478 4.350 -0.001 0.000 0.270 938 E C -1.597 175.164 176.600 0.269 0.000 0.882 938 E CA -0.689 55.880 56.400 0.282 0.000 0.758 938 E CB 1.409 31.221 29.700 0.186 0.000 1.195 938 E HN 0.012 nan 8.360 nan 0.000 0.419 939 W N 7.648 128.749 121.300 -0.331 0.000 2.298 939 W HA 0.422 5.082 4.660 -0.001 0.000 0.327 939 W C -1.440 174.914 176.519 -0.275 0.000 0.988 939 W CA -1.387 55.563 57.345 -0.659 0.000 1.448 939 W CB -0.158 28.348 29.460 -1.591 0.000 1.243 939 W HN 0.434 nan 8.180 nan 0.000 0.388 940 I N 5.623 126.308 120.570 0.191 0.000 2.496 940 I HA 0.317 4.486 4.170 -0.001 0.000 0.285 940 I C 1.517 177.623 176.117 -0.018 0.000 1.080 940 I CA 1.263 62.596 61.300 0.055 0.000 1.404 940 I CB 0.647 38.708 38.000 0.101 0.000 1.403 940 I HN 0.776 nan 8.210 nan 0.000 0.539 941 G N 4.131 112.833 108.800 -0.163 0.000 2.143 941 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.249 941 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.249 941 G C 0.379 175.012 174.900 -0.446 0.000 0.981 941 G CA -0.140 44.842 45.100 -0.197 0.000 0.665 941 G HN 1.031 nan 8.290 nan 0.000 0.528 942 A N -0.257 122.029 122.820 -0.891 0.000 2.511 942 A HA 0.579 4.899 4.320 -0.001 0.000 0.242 942 A C 0.596 177.722 177.584 -0.764 0.000 1.069 942 A CA 0.657 51.789 52.037 -1.508 0.000 0.763 942 A CB 0.282 17.958 19.000 -2.206 0.000 1.001 942 A HN 0.591 nan 8.150 nan 0.000 0.498 943 Q N 0.818 120.251 119.800 -0.611 0.000 2.297 943 Q HA 0.512 4.852 4.340 -0.001 0.000 0.268 943 Q C 1.044 176.916 176.000 -0.213 0.000 1.045 943 Q CA -0.183 55.441 55.803 -0.298 0.000 0.861 943 Q CB 1.896 30.531 28.738 -0.172 0.000 1.344 943 Q HN 0.808 nan 8.270 nan 0.000 0.452 944 G N 0.058 108.783 108.800 -0.124 0.000 2.744 944 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.211 944 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.211 944 G C 0.207 175.092 174.900 -0.026 0.000 1.146 944 G CA 0.517 45.569 45.100 -0.081 0.000 0.787 944 G HN 0.450 nan 8.290 nan 0.000 0.534 945 Q N -1.466 118.330 119.800 -0.007 0.000 2.594 945 Q HA 0.507 4.846 4.340 -0.001 0.000 0.278 945 Q C -2.410 173.613 176.000 0.038 0.000 0.961 945 Q CA -0.898 54.916 55.803 0.018 0.000 0.844 945 Q CB 2.027 30.761 28.738 -0.006 0.000 1.475 945 Q HN 0.045 nan 8.270 nan 0.000 0.389 946 F N 1.229 121.087 119.950 -0.152 0.000 2.561 946 F HA 0.643 5.170 4.527 -0.001 0.000 0.313 946 F C 0.513 176.061 175.800 -0.420 0.000 1.126 946 F CA 0.486 58.327 58.000 -0.266 0.000 0.918 946 F CB 2.058 40.911 39.000 -0.245 0.000 1.199 946 F HN 0.671 nan 8.300 nan 0.000 0.444 947 G N 3.145 110.954 108.800 -1.650 0.000 2.141 947 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.231 947 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.231 947 G C 1.061 175.292 174.900 -1.115 0.000 0.984 947 G CA 0.277 44.151 45.100 -2.042 0.000 0.660 947 G HN 1.559 nan 8.290 nan 0.000 0.525 948 G N 1.288 109.735 108.800 -0.589 0.000 2.485 948 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.221 948 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.221 948 G C 1.278 176.135 174.900 -0.071 0.000 1.115 948 G CA 1.806 46.807 45.100 -0.166 0.000 0.751 948 G HN 0.839 nan 8.290 nan 0.000 0.567 949 D N -0.649 119.621 120.400 -0.218 0.000 2.339 949 D HA 0.006 4.646 4.640 -0.001 0.000 0.217 949 D C 0.305 176.617 176.300 0.020 0.000 1.050 949 D CA -0.397 53.565 54.000 -0.064 0.000 0.856 949 D CB -0.844 39.919 40.800 -0.061 0.000 0.922 949 D HN 0.463 nan 8.370 nan 0.000 0.518 950 H N 1.489 120.472 119.070 -0.145 0.000 2.764 950 H HA 0.204 4.760 4.556 -0.001 0.000 0.341 950 H C -1.917 173.399 175.328 -0.020 0.000 1.072 950 H CA -1.712 54.270 56.048 -0.110 0.000 1.444 950 H CB 0.630 30.273 29.762 -0.200 0.000 1.458 950 H HN 0.029 nan 8.280 nan 0.000 0.572 951 P HA -0.055 nan 4.420 nan 0.000 0.268 951 P C -0.540 176.842 177.300 0.138 0.000 1.205 951 P CA -0.066 63.109 63.100 0.126 0.000 0.771 951 P CB 0.769 32.516 31.700 0.078 0.000 0.858 952 S N 1.762 117.578 115.700 0.195 0.000 2.434 952 S HA 0.582 5.051 4.470 -0.001 0.000 0.318 952 S C 0.033 174.744 174.600 0.185 0.000 1.062 952 S CA -0.592 57.752 58.200 0.239 0.000 1.116 952 S CB -0.667 62.797 63.200 0.440 0.000 0.977 952 S HN 0.520 nan 8.310 nan 0.000 0.480 953 A N 4.447 127.367 122.820 0.167 0.000 2.313 953 A HA 0.533 4.852 4.320 -0.001 0.000 0.261 953 A C 0.526 178.170 177.584 0.098 0.000 1.090 953 A CA -0.556 51.553 52.037 0.121 0.000 0.807 953 A CB 0.205 19.277 19.000 0.120 0.000 1.055 953 A HN 0.907 nan 8.150 nan 0.000 0.492 954 R N -0.182 120.343 120.500 0.043 0.000 2.698 954 R HA 0.006 4.346 4.340 -0.001 0.000 0.266 954 R C 1.422 177.724 176.300 0.003 0.000 1.026 954 R CA 0.896 56.991 56.100 -0.008 0.000 1.102 954 R CB 0.333 30.615 30.300 -0.030 0.000 0.978 954 R HN 0.906 nan 8.270 nan 0.000 0.436 955 E N 1.747 121.910 120.200 -0.062 0.000 2.265 955 E HA -0.227 4.122 4.350 -0.001 0.000 0.196 955 E C 0.284 176.922 176.600 0.064 0.000 0.996 955 E CA 1.500 57.848 56.400 -0.087 0.000 0.832 955 E CB -0.049 29.573 29.700 -0.129 0.000 0.756 955 E HN 0.750 nan 8.360 nan 0.000 0.491 956 D N 0.641 121.040 120.400 -0.003 0.000 2.349 956 D HA -0.016 4.624 4.640 -0.001 0.000 0.224 956 D C 0.362 176.663 176.300 0.003 0.000 1.029 956 D CA -0.089 53.873 54.000 -0.064 0.000 0.879 956 D CB -0.041 40.654 40.800 -0.175 0.000 0.906 956 D HN 0.172 nan 8.370 nan 0.000 0.528 957 L N 0.965 122.235 121.223 0.078 0.000 2.289 957 L HA 0.491 4.830 4.340 -0.001 0.000 0.285 957 L C -1.070 175.926 176.870 0.209 0.000 1.049 957 L CA -0.431 54.471 54.840 0.104 0.000 0.804 957 L CB 1.525 43.634 42.059 0.084 0.000 1.195 957 L HN -0.217 nan 8.230 nan 0.000 0.428 958 D N 2.552 123.097 120.400 0.242 0.000 2.575 958 D HA 0.360 5.000 4.640 -0.001 0.000 0.236 958 D C -1.258 175.203 176.300 0.268 0.000 1.075 958 D CA -0.280 53.886 54.000 0.277 0.000 0.860 958 D CB 2.363 43.373 40.800 0.351 0.000 1.475 958 D HN 0.234 nan 8.370 nan 0.000 0.474 959 V N 3.480 123.529 119.914 0.225 0.000 2.299 959 V HA 0.128 4.248 4.120 -0.001 0.000 0.255 959 V C 1.284 177.515 176.094 0.228 0.000 1.100 959 V CA -0.030 62.415 62.300 0.241 0.000 0.938 959 V CB 0.479 32.430 31.823 0.214 0.000 1.139 959 V HN 0.572 nan 8.190 nan 0.000 0.490 960 S N 3.135 119.000 115.700 0.275 0.000 2.406 960 S HA 0.033 4.503 4.470 -0.001 0.000 0.228 960 S C 0.614 175.270 174.600 0.093 0.000 1.020 960 S CA 0.633 58.948 58.200 0.191 0.000 0.965 960 S CB 0.219 63.597 63.200 0.297 0.000 0.798 960 S HN 0.508 nan 8.310 nan 0.000 0.488 961 V N 1.619 121.631 119.914 0.162 0.000 2.733 961 V HA 0.527 4.646 4.120 -0.001 0.000 0.306 961 V C -0.825 175.346 176.094 0.128 0.000 1.084 961 V CA -0.572 61.801 62.300 0.121 0.000 0.905 961 V CB 1.910 33.841 31.823 0.180 0.000 1.010 961 V HN 0.363 nan 8.190 nan 0.000 0.424 962 M N 5.626 125.222 119.600 -0.006 0.000 2.151 962 M HA 0.682 5.161 4.480 -0.001 0.000 0.290 962 M C -1.130 175.011 176.300 -0.265 0.000 0.965 962 M CA -0.461 54.709 55.300 -0.217 0.000 0.930 962 M CB 1.438 33.924 32.600 -0.190 0.000 1.560 962 M HN 0.761 nan 8.290 nan 0.000 0.438 963 R N 3.948 124.221 120.500 -0.378 0.000 2.510 963 R HA 0.445 4.785 4.340 -0.001 0.000 0.287 963 R C -1.399 174.686 176.300 -0.359 0.000 1.084 963 R CA -0.700 55.233 56.100 -0.278 0.000 0.934 963 R CB 1.942 32.167 30.300 -0.125 0.000 1.201 963 R HN 0.898 nan 8.270 nan 0.000 0.431 964 R N 4.420 124.761 120.500 -0.266 0.000 2.442 964 R HA 0.134 4.473 4.340 -0.001 0.000 0.291 964 R C 0.199 176.400 176.300 -0.166 0.000 1.069 964 R CA 0.115 56.084 56.100 -0.218 0.000 1.022 964 R CB 0.611 30.832 30.300 -0.130 0.000 0.976 964 R HN 0.704 nan 8.270 nan 0.000 0.443 965 L N 2.835 123.956 121.223 -0.170 0.000 2.590 965 L HA 0.141 4.481 4.340 -0.001 0.000 0.227 965 L C 0.352 177.178 176.870 -0.074 0.000 1.099 965 L CA 0.069 54.831 54.840 -0.130 0.000 0.872 965 L CB 0.562 42.516 42.059 -0.175 0.000 1.088 965 L HN 0.707 nan 8.230 nan 0.000 0.479 966 T N -2.363 112.153 114.554 -0.062 0.000 2.888 966 T HA 0.433 4.783 4.350 -0.001 0.000 0.284 966 T C -0.192 174.500 174.700 -0.013 0.000 1.017 966 T CA -0.872 61.208 62.100 -0.033 0.000 1.022 966 T CB 2.365 71.217 68.868 -0.026 0.000 1.013 966 T HN -0.083 nan 8.240 nan 0.000 0.465 967 K N 0.947 121.345 120.400 -0.003 0.000 2.120 967 K HA 0.289 4.609 4.320 -0.001 0.000 0.245 967 K C 1.635 178.248 176.600 0.022 0.000 1.024 967 K CA -0.189 56.107 56.287 0.015 0.000 0.906 967 K CB 0.512 33.019 32.500 0.012 0.000 1.051 967 K HN 0.811 nan 8.250 nan 0.000 0.491 968 S N -0.640 115.082 115.700 0.037 0.000 2.447 968 S HA -0.146 4.324 4.470 -0.001 0.000 0.233 968 S C 1.804 176.418 174.600 0.024 0.000 1.006 968 S CA 1.374 59.596 58.200 0.035 0.000 0.957 968 S CB -0.321 62.909 63.200 0.049 0.000 0.773 968 S HN 0.639 nan 8.310 nan 0.000 0.507 969 S N 1.649 117.361 115.700 0.021 0.000 2.515 969 S HA 0.385 4.855 4.470 -0.001 0.000 0.231 969 S C 0.852 175.458 174.600 0.010 0.000 0.987 969 S CA 0.087 58.297 58.200 0.016 0.000 0.936 969 S CB -0.700 62.510 63.200 0.016 0.000 0.766 969 S HN 0.787 nan 8.310 nan 0.000 0.528 970 A N 1.889 124.713 122.820 0.007 0.000 2.492 970 A HA 0.335 4.654 4.320 -0.001 0.000 0.254 970 A C 1.249 178.837 177.584 0.006 0.000 1.091 970 A CA -0.294 51.743 52.037 0.002 0.000 0.768 970 A CB 0.144 19.142 19.000 -0.004 0.000 1.028 970 A HN 0.489 nan 8.150 nan 0.000 0.498 971 K N 1.589 121.992 120.400 0.004 0.000 2.063 971 K HA -0.093 4.227 4.320 -0.001 0.000 0.208 971 K C 0.006 176.614 176.600 0.012 0.000 1.048 971 K CA 1.633 57.925 56.287 0.008 0.000 0.928 971 K CB -0.022 32.481 32.500 0.004 0.000 0.713 971 K HN 0.676 nan 8.250 nan 0.000 0.442 972 T N 2.455 117.013 114.554 0.007 0.000 2.801 972 T HA 0.190 4.539 4.350 -0.001 0.000 0.306 972 T C -0.840 173.871 174.700 0.019 0.000 1.020 972 T CA -0.678 61.429 62.100 0.012 0.000 0.948 972 T CB 1.455 70.319 68.868 -0.006 0.000 0.962 972 T HN 0.073 nan 8.240 nan 0.000 0.465 973 Q N 2.728 122.557 119.800 0.048 0.000 2.340 973 Q HA 0.416 4.756 4.340 -0.001 0.000 0.249 973 Q C 0.070 176.120 176.000 0.084 0.000 0.957 973 Q CA 0.035 55.866 55.803 0.047 0.000 0.882 973 Q CB 1.359 30.121 28.738 0.039 0.000 1.235 973 Q HN 0.546 nan 8.270 nan 0.000 0.439 974 R N 0.275 120.788 120.500 0.022 0.000 2.628 974 R HA 0.642 4.982 4.340 -0.001 0.000 0.288 974 R C -1.103 175.143 176.300 -0.090 0.000 0.980 974 R CA -0.654 55.448 56.100 0.003 0.000 0.891 974 R CB 1.877 32.144 30.300 -0.055 0.000 1.188 974 R HN 0.257 nan 8.270 nan 0.000 0.450 975 V N 1.506 121.361 119.914 -0.099 0.000 2.487 975 V HA 0.576 4.695 4.120 -0.001 0.000 0.298 975 V C 0.264 176.046 176.094 -0.520 0.000 1.028 975 V CA -0.868 61.231 62.300 -0.336 0.000 0.860 975 V CB 1.984 33.603 31.823 -0.339 0.000 0.991 975 V HN 0.942 nan 8.190 nan 0.000 0.427 976 G N 3.044 111.339 108.800 -0.841 0.000 2.367 976 G HA2 0.617 4.577 3.960 -0.001 0.000 0.314 976 G HA3 0.617 4.577 3.960 -0.001 0.000 0.314 976 G C -1.529 172.888 174.900 -0.806 0.000 1.130 976 G CA -0.198 44.192 45.100 -1.183 0.000 0.864 976 G HN 0.512 nan 8.290 nan 0.000 0.486 977 Y N 0.422 120.747 120.300 0.041 0.000 2.425 977 Y HA 0.472 5.022 4.550 -0.001 0.000 0.344 977 Y C -0.099 176.059 175.900 0.431 0.000 0.969 977 Y CA -0.886 57.361 58.100 0.246 0.000 1.052 977 Y CB 2.753 41.340 38.460 0.211 0.000 1.215 977 Y HN 0.340 nan 8.280 nan 0.000 0.451 978 V N 5.146 125.361 119.914 0.502 0.000 2.384 978 V HA 0.401 4.521 4.120 -0.001 0.000 0.287 978 V C -0.406 175.920 176.094 0.386 0.000 1.020 978 V CA -0.767 61.763 62.300 0.383 0.000 0.850 978 V CB 1.282 33.284 31.823 0.299 0.000 0.987 978 V HN 0.588 nan 8.190 nan 0.000 0.436 979 L N 4.742 126.178 121.223 0.354 0.000 2.307 979 L HA 0.597 4.936 4.340 -0.001 0.000 0.284 979 L C -0.732 176.344 176.870 0.343 0.000 1.023 979 L CA -0.629 54.414 54.840 0.337 0.000 0.810 979 L CB 1.579 43.830 42.059 0.320 0.000 1.231 979 L HN 0.709 nan 8.230 nan 0.000 0.423 980 H N 3.421 122.641 119.070 0.251 0.000 2.609 980 H HA 0.434 4.989 4.556 -0.001 0.000 0.344 980 H C -1.044 174.366 175.328 0.136 0.000 1.040 980 H CA -0.651 55.510 56.048 0.189 0.000 1.216 980 H CB 1.525 31.452 29.762 0.274 0.000 1.529 980 H HN 0.481 nan 8.280 nan 0.000 0.519 981 R N 4.281 124.424 120.500 -0.595 0.000 2.295 981 R HA 0.328 4.667 4.340 -0.001 0.000 0.324 981 R C -0.385 175.464 176.300 -0.752 0.000 0.968 981 R CA -0.465 55.347 56.100 -0.479 0.000 0.837 981 R CB 1.145 31.302 30.300 -0.238 0.000 1.133 981 R HN 0.744 nan 8.270 nan 0.000 0.450 982 T N 1.696 115.960 114.554 -0.484 0.000 2.771 982 T HA 0.166 4.516 4.350 -0.001 0.000 0.290 982 T C -0.465 174.041 174.700 -0.323 0.000 1.005 982 T CA -0.476 61.423 62.100 -0.335 0.000 0.944 982 T CB 0.632 69.379 68.868 -0.202 0.000 1.147 982 T HN 0.682 nan 8.240 nan 0.000 0.534 983 N N 0.888 119.421 118.700 -0.277 0.000 2.407 983 N HA 0.475 5.215 4.740 -0.001 0.000 0.277 983 N C -1.377 173.954 175.510 -0.298 0.000 0.995 983 N CA -0.496 52.335 53.050 -0.366 0.000 0.903 983 N CB 0.552 38.671 38.487 -0.614 0.000 1.218 983 N HN 0.466 nan 8.380 nan 0.000 0.487 984 L N 2.542 123.593 121.223 -0.287 0.000 2.331 984 L HA 0.526 4.865 4.340 -0.001 0.000 0.275 984 L C 0.611 177.349 176.870 -0.221 0.000 1.022 984 L CA -1.057 53.651 54.840 -0.219 0.000 0.812 984 L CB 1.400 43.343 42.059 -0.194 0.000 1.257 984 L HN 0.359 nan 8.230 nan 0.000 0.435 985 M N 2.099 121.592 119.600 -0.178 0.000 2.245 985 M HA 0.008 4.488 4.480 -0.001 0.000 0.335 985 M C -0.108 176.101 176.300 -0.151 0.000 1.155 985 M CA 0.388 55.589 55.300 -0.166 0.000 1.055 985 M CB 0.223 32.726 32.600 -0.161 0.000 1.670 985 M HN 0.489 nan 8.290 nan 0.000 0.447 986 Q N 1.983 121.699 119.800 -0.139 0.000 2.296 986 Q HA 0.238 4.577 4.340 -0.001 0.000 0.257 986 Q C -0.230 175.712 176.000 -0.097 0.000 0.942 986 Q CA 0.049 55.784 55.803 -0.113 0.000 0.939 986 Q CB 1.181 29.855 28.738 -0.106 0.000 1.198 986 Q HN 0.793 nan 8.270 nan 0.000 0.429 987 c N 0.614 119.162 118.600 -0.088 0.000 3.226 987 c HA 0.353 4.922 4.570 -0.001 0.000 0.258 987 c C 1.228 175.280 174.090 -0.064 0.000 1.688 987 c CA -0.002 56.280 56.329 -0.078 0.000 1.774 987 c CB -0.254 42.203 42.510 -0.087 0.000 3.167 987 c HN 1.029 nan 8.230 nan 0.000 0.509 988 G N 1.486 110.250 108.800 -0.060 0.000 2.157 988 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.248 988 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.248 988 G C 0.036 174.908 174.900 -0.046 0.000 0.979 988 G CA 0.487 45.558 45.100 -0.049 0.000 0.650 988 G HN 0.469 nan 8.290 nan 0.000 0.529 989 T N 2.962 117.485 114.554 -0.051 0.000 2.737 989 T HA 0.478 4.827 4.350 -0.001 0.000 0.296 989 T C -1.708 172.964 174.700 -0.047 0.000 0.922 989 T CA -0.489 61.583 62.100 -0.046 0.000 1.079 989 T CB 1.377 70.215 68.868 -0.050 0.000 0.892 989 T HN 0.193 nan 8.240 nan 0.000 0.514 990 P HA 0.070 nan 4.420 nan 0.000 0.262 990 P C 0.122 177.396 177.300 -0.044 0.000 1.182 990 P CA -0.215 62.864 63.100 -0.035 0.000 0.761 990 P CB 0.447 32.134 31.700 -0.022 0.000 0.795 991 E N 3.072 123.241 120.200 -0.052 0.000 2.344 991 E HA 0.009 4.359 4.350 -0.001 0.000 0.270 991 E C -0.077 176.478 176.600 -0.074 0.000 1.021 991 E CA -0.411 55.946 56.400 -0.072 0.000 0.887 991 E CB 0.567 30.224 29.700 -0.072 0.000 0.997 991 E HN 0.462 nan 8.360 nan 0.000 0.429 992 E N 3.739 123.857 120.200 -0.136 0.000 2.338 992 E HA 0.044 4.394 4.350 -0.001 0.000 0.272 992 E C -0.428 175.991 176.600 -0.302 0.000 1.029 992 E CA -0.654 55.605 56.400 -0.236 0.000 0.872 992 E CB 0.109 29.522 29.700 -0.480 0.000 1.015 992 E HN 0.605 nan 8.360 nan 0.000 0.417 993 H N 0.817 119.879 119.070 -0.013 0.000 3.146 993 H HA -0.105 4.451 4.556 -0.001 0.000 0.269 993 H C -0.512 174.818 175.328 0.003 0.000 0.847 993 H CA 0.864 56.908 56.048 -0.007 0.000 1.422 993 H CB -0.367 29.390 29.762 -0.008 0.000 1.274 993 H HN 0.673 nan 8.280 nan 0.000 0.534 994 T N 0.853 115.399 114.554 -0.013 0.000 2.883 994 T HA 0.398 4.748 4.350 -0.001 0.000 0.301 994 T C -0.535 174.208 174.700 0.070 0.000 1.158 994 T CA -1.399 60.715 62.100 0.022 0.000 1.007 994 T CB 1.744 70.586 68.868 -0.043 0.000 1.186 994 T HN 0.803 nan 8.240 nan 0.000 0.499 995 Q N 1.150 121.007 119.800 0.095 0.000 2.314 995 Q HA 0.344 4.684 4.340 -0.001 0.000 0.258 995 Q C -0.161 175.867 176.000 0.047 0.000 0.954 995 Q CA -0.629 55.218 55.803 0.074 0.000 0.890 995 Q CB 1.119 29.913 28.738 0.094 0.000 1.210 995 Q HN 0.502 nan 8.270 nan 0.000 0.410 996 K N 1.891 122.305 120.400 0.024 0.000 2.451 996 K HA 0.047 4.366 4.320 -0.001 0.000 0.280 996 K C -0.777 175.825 176.600 0.004 0.000 1.020 996 K CA -0.271 56.019 56.287 0.005 0.000 1.008 996 K CB 0.376 32.868 32.500 -0.013 0.000 0.917 996 K HN 0.395 nan 8.250 nan 0.000 0.478 997 L N 4.492 125.715 121.223 -0.000 0.000 2.264 997 L HA 0.243 4.582 4.340 -0.001 0.000 0.289 997 L C -0.983 175.851 176.870 -0.060 0.000 1.044 997 L CA 0.017 54.849 54.840 -0.014 0.000 0.807 997 L CB 1.132 43.195 42.059 0.006 0.000 1.192 997 L HN 0.518 nan 8.230 nan 0.000 0.425 998 D N 3.522 123.878 120.400 -0.074 0.000 2.461 998 D HA 0.179 4.819 4.640 -0.001 0.000 0.240 998 D C 0.978 177.185 176.300 -0.155 0.000 1.094 998 D CA -0.299 53.635 54.000 -0.110 0.000 0.868 998 D CB 1.287 42.058 40.800 -0.048 0.000 1.062 998 D HN 0.376 nan 8.370 nan 0.000 0.530 999 V N 1.346 121.068 119.914 -0.320 0.000 2.626 999 V HA -0.146 3.974 4.120 -0.001 0.000 0.252 999 V C 2.147 177.933 176.094 -0.513 0.000 1.067 999 V CA 0.980 62.913 62.300 -0.612 0.000 1.081 999 V CB -1.045 30.134 31.823 -1.074 0.000 0.686 999 V HN 0.615 nan 8.190 nan 0.000 0.468 1000 c N 0.633 119.069 118.600 -0.272 0.000 2.437 1000 c HA 0.001 4.571 4.570 -0.001 0.000 0.283 1000 c C 2.115 176.101 174.090 -0.173 0.000 1.424 1000 c CA 1.242 57.483 56.329 -0.147 0.000 1.782 1000 c CB -1.782 40.640 42.510 -0.147 0.000 1.833 1000 c HN 0.761 nan 8.230 nan 0.000 0.532 1001 H N -0.927 118.119 119.070 -0.041 0.000 2.542 1001 H HA 0.266 4.822 4.556 -0.001 0.000 0.283 1001 H C 1.675 177.037 175.328 0.057 0.000 1.059 1001 H CA 0.015 56.080 56.048 0.027 0.000 1.162 1001 H CB 0.029 29.790 29.762 -0.002 0.000 1.539 1001 H HN 0.350 nan 8.280 nan 0.000 0.543 1002 L N -0.119 121.167 121.223 0.104 0.000 2.217 1002 L HA 0.032 4.371 4.340 -0.001 0.000 0.211 1002 L C 0.133 177.154 176.870 0.250 0.000 1.107 1002 L CA 0.810 55.741 54.840 0.152 0.000 0.783 1002 L CB 0.162 42.274 42.059 0.089 0.000 0.919 1002 L HN 0.209 nan 8.230 nan 0.000 0.442 1003 L N -0.128 121.206 121.223 0.185 0.000 2.334 1003 L HA 0.426 4.766 4.340 -0.001 0.000 0.273 1003 L C -2.137 174.800 176.870 0.112 0.000 1.013 1003 L CA -2.042 52.846 54.840 0.079 0.000 0.816 1003 L CB 1.684 43.576 42.059 -0.278 0.000 1.278 1003 L HN -0.211 nan 8.230 nan 0.000 0.431 1004 P HA 0.121 nan 4.420 nan 0.000 0.274 1004 P C -0.800 176.620 177.300 0.201 0.000 1.256 1004 P CA -0.198 62.976 63.100 0.124 0.000 0.795 1004 P CB 0.369 32.116 31.700 0.079 0.000 1.038 1005 N N -3.138 115.651 118.700 0.148 0.000 2.754 1005 N HA -0.149 4.591 4.740 -0.001 0.000 0.248 1005 N C 0.032 175.607 175.510 0.107 0.000 1.093 1005 N CA 0.008 53.131 53.050 0.121 0.000 0.699 1005 N CB -1.794 36.757 38.487 0.107 0.000 1.016 1005 N HN 0.271 nan 8.380 nan 0.000 0.552 1006 V N 0.087 120.014 119.914 0.022 0.000 2.599 1006 V HA 0.355 4.474 4.120 -0.001 0.000 0.300 1006 V C 1.180 177.158 176.094 -0.193 0.000 1.034 1006 V CA 1.216 63.342 62.300 -0.290 0.000 1.115 1006 V CB 1.216 32.779 31.823 -0.433 0.000 0.934 1006 V HN 0.401 nan 8.190 nan 0.000 0.485 1007 A N 6.967 129.656 122.820 -0.217 0.000 2.287 1007 A HA 0.498 4.818 4.320 -0.001 0.000 0.214 1007 A C 0.936 178.479 177.584 -0.068 0.000 1.228 1007 A CA 0.017 51.993 52.037 -0.101 0.000 0.939 1007 A CB 0.244 19.201 19.000 -0.071 0.000 0.992 1007 A HN 0.795 nan 8.150 nan 0.000 0.502 1008 R N -1.822 118.611 120.500 -0.111 0.000 2.664 1008 R HA 0.481 4.820 4.340 -0.001 0.000 0.266 1008 R C -2.301 173.973 176.300 -0.043 0.000 1.046 1008 R CA -0.323 55.771 56.100 -0.010 0.000 0.885 1008 R CB 1.464 31.752 30.300 -0.020 0.000 1.254 1008 R HN 0.295 nan 8.270 nan 0.000 0.465 1009 c N 2.569 121.204 118.600 0.058 0.000 2.481 1009 c HA 0.626 5.195 4.570 -0.001 0.000 0.324 1009 c C -1.208 172.983 174.090 0.168 0.000 1.170 1009 c CA -0.219 56.147 56.329 0.062 0.000 1.361 1009 c CB 1.207 43.720 42.510 0.004 0.000 1.977 1009 c HN 0.919 nan 8.230 nan 0.000 0.459 1010 E N 2.863 123.175 120.200 0.186 0.000 2.288 1010 E HA 0.485 4.835 4.350 -0.001 0.000 0.268 1010 E C -0.944 175.831 176.600 0.292 0.000 0.885 1010 E CA -0.624 55.900 56.400 0.208 0.000 0.767 1010 E CB 1.834 31.610 29.700 0.126 0.000 1.220 1010 E HN 0.638 nan 8.360 nan 0.000 0.427 1011 R N 1.307 121.960 120.500 0.256 0.000 2.357 1011 R HA 0.384 4.724 4.340 -0.001 0.000 0.296 1011 R C -0.595 175.743 176.300 0.064 0.000 1.052 1011 R CA 0.038 56.220 56.100 0.138 0.000 0.988 1011 R CB 0.697 31.058 30.300 0.101 0.000 1.025 1011 R HN 0.721 nan 8.270 nan 0.000 0.469 1012 T N -0.426 114.139 114.554 0.019 0.000 2.887 1012 T HA 0.357 4.707 4.350 -0.001 0.000 0.292 1012 T C 0.087 174.784 174.700 -0.005 0.000 1.087 1012 T CA -0.821 61.311 62.100 0.053 0.000 1.009 1012 T CB 1.361 70.326 68.868 0.161 0.000 1.203 1012 T HN 0.618 nan 8.240 nan 0.000 0.518 1013 T N 0.078 114.629 114.554 -0.004 0.000 2.795 1013 T HA 0.217 4.566 4.350 -0.001 0.000 0.314 1013 T C 1.569 176.209 174.700 -0.101 0.000 1.069 1013 T CA -0.685 61.391 62.100 -0.040 0.000 1.071 1013 T CB -0.063 68.792 68.868 -0.021 0.000 0.988 1013 T HN 0.564 nan 8.240 nan 0.000 0.543 1014 L N 0.993 122.137 121.223 -0.131 0.000 2.362 1014 L HA -0.018 4.322 4.340 -0.001 0.000 0.219 1014 L C 2.798 179.376 176.870 -0.487 0.000 1.134 1014 L CA 1.294 55.990 54.840 -0.239 0.000 0.807 1014 L CB -1.013 40.984 42.059 -0.103 0.000 0.927 1014 L HN 0.974 nan 8.230 nan 0.000 0.447 1015 T N -4.806 109.564 114.554 -0.307 0.000 3.129 1015 T HA 0.019 4.368 4.350 -0.001 0.000 0.251 1015 T C 0.720 175.270 174.700 -0.251 0.000 1.117 1015 T CA -0.216 61.710 62.100 -0.289 0.000 1.034 1015 T CB -0.140 68.698 68.868 -0.051 0.000 0.968 1015 T HN 0.209 nan 8.240 nan 0.000 0.526 1016 F N -0.932 119.029 119.950 0.020 0.000 2.794 1016 F HA -0.194 4.333 4.527 -0.001 0.000 0.335 1016 F C 0.998 176.797 175.800 -0.001 0.000 0.653 1016 F CA -0.118 57.886 58.000 0.006 0.000 1.266 1016 F CB -2.350 36.648 39.000 -0.002 0.000 1.666 1016 F HN 0.250 nan 8.300 nan 0.000 0.314 1017 L N -0.862 120.430 121.223 0.114 0.000 2.529 1017 L HA 0.116 4.455 4.340 -0.001 0.000 0.223 1017 L C 1.051 177.942 176.870 0.034 0.000 1.113 1017 L CA 0.859 55.737 54.840 0.065 0.000 0.861 1017 L CB 0.169 42.248 42.059 0.035 0.000 1.012 1017 L HN 0.353 nan 8.230 nan 0.000 0.461 1018 Q N 0.516 120.337 119.800 0.035 0.000 2.305 1018 Q HA 0.280 4.619 4.340 -0.001 0.000 0.271 1018 Q C -1.142 174.875 176.000 0.028 0.000 1.046 1018 Q CA -0.705 55.107 55.803 0.015 0.000 0.798 1018 Q CB 1.815 30.548 28.738 -0.007 0.000 1.286 1018 Q HN 0.081 nan 8.270 nan 0.000 0.435 1019 N N 4.558 123.271 118.700 0.022 0.000 2.470 1019 N HA 0.177 4.917 4.740 -0.001 0.000 0.268 1019 N C 0.230 175.755 175.510 0.025 0.000 1.136 1019 N CA 0.226 53.295 53.050 0.031 0.000 0.961 1019 N CB 1.135 39.633 38.487 0.018 0.000 1.067 1019 N HN 0.670 nan 8.380 nan 0.000 0.468 1020 L N 0.642 121.886 121.223 0.036 0.000 2.500 1020 L HA 0.284 4.624 4.340 -0.001 0.000 0.219 1020 L C 0.613 177.512 176.870 0.049 0.000 1.057 1020 L CA 0.394 55.251 54.840 0.028 0.000 0.854 1020 L CB 0.328 42.394 42.059 0.013 0.000 1.078 1020 L HN 0.537 nan 8.230 nan 0.000 0.480 1021 E N -0.447 119.802 120.200 0.081 0.000 2.347 1021 E HA 0.122 4.472 4.350 -0.001 0.000 0.285 1021 E C -1.307 175.395 176.600 0.170 0.000 0.925 1021 E CA -0.559 55.906 56.400 0.109 0.000 0.779 1021 E CB 1.399 31.158 29.700 0.099 0.000 1.233 1021 E HN 0.121 nan 8.360 nan 0.000 0.414 1022 H N 5.760 124.856 119.070 0.044 0.000 2.668 1022 H HA 0.329 4.885 4.556 -0.001 0.000 0.303 1022 H C -0.700 174.653 175.328 0.042 0.000 1.074 1022 H CA -0.576 55.495 56.048 0.039 0.000 1.406 1022 H CB 0.712 30.487 29.762 0.022 0.000 1.442 1022 H HN 0.368 nan 8.280 nan 0.000 0.482 1023 L N 5.109 126.366 121.223 0.057 0.000 2.292 1023 L HA 0.105 4.444 4.340 -0.001 0.000 0.284 1023 L C 0.061 176.841 176.870 -0.150 0.000 1.065 1023 L CA -0.906 53.919 54.840 -0.025 0.000 0.806 1023 L CB 1.159 43.243 42.059 0.042 0.000 1.175 1023 L HN 0.689 nan 8.230 nan 0.000 0.431 1024 D N 2.879 123.204 120.400 -0.125 0.000 2.487 1024 D HA 0.140 4.780 4.640 -0.001 0.000 0.243 1024 D C 1.150 177.408 176.300 -0.070 0.000 1.154 1024 D CA 1.274 55.203 54.000 -0.119 0.000 0.876 1024 D CB 1.072 41.829 40.800 -0.073 0.000 1.161 1024 D HN 0.835 nan 8.370 nan 0.000 0.478 1025 G N 3.294 112.057 108.800 -0.062 0.000 2.155 1025 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.257 1025 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.257 1025 G C 0.806 175.740 174.900 0.057 0.000 0.983 1025 G CA 0.372 45.468 45.100 -0.006 0.000 0.676 1025 G HN 0.645 nan 8.290 nan 0.000 0.528 1026 M N -2.736 116.874 119.600 0.017 0.000 2.576 1026 M HA -0.194 4.285 4.480 -0.001 0.000 0.200 1026 M C 0.207 176.560 176.300 0.088 0.000 0.487 1026 M CA 0.941 56.257 55.300 0.027 0.000 0.553 1026 M CB -1.969 30.617 32.600 -0.022 0.000 2.042 1026 M HN 0.230 nan 8.290 nan 0.000 0.758 1027 V N 0.960 120.905 119.914 0.052 0.000 2.394 1027 V HA 0.694 4.813 4.120 -0.001 0.000 0.282 1027 V C 0.720 176.747 176.094 -0.112 0.000 1.031 1027 V CA -0.236 62.071 62.300 0.011 0.000 0.881 1027 V CB 1.652 33.461 31.823 -0.023 0.000 0.982 1027 V HN 0.382 nan 8.190 nan 0.000 0.451 1028 A N 8.370 131.040 122.820 -0.250 0.000 2.269 1028 A HA 0.746 5.066 4.320 -0.001 0.000 0.302 1028 A C -2.350 174.976 177.584 -0.431 0.000 1.266 1028 A CA -1.474 50.195 52.037 -0.614 0.000 0.894 1028 A CB 0.156 18.459 19.000 -1.161 0.000 1.147 1028 A HN 0.625 nan 8.150 nan 0.000 0.537 1029 P HA 0.207 nan 4.420 nan 0.000 0.275 1029 P C -0.164 177.135 177.300 -0.001 0.000 1.228 1029 P CA -0.175 62.883 63.100 -0.070 0.000 0.786 1029 P CB 0.621 32.335 31.700 0.023 0.000 0.927 1030 E N -0.084 120.125 120.200 0.014 0.000 2.410 1030 E HA 0.242 4.592 4.350 -0.001 0.000 0.255 1030 E C 0.108 176.763 176.600 0.091 0.000 1.194 1030 E CA -0.709 55.729 56.400 0.063 0.000 0.955 1030 E CB 0.386 30.102 29.700 0.026 0.000 0.988 1030 E HN 0.315 nan 8.360 nan 0.000 0.461 1031 V N -1.650 118.317 119.914 0.088 0.000 2.850 1031 V HA 0.388 4.507 4.120 -0.001 0.000 0.315 1031 V C 0.108 176.207 176.094 0.008 0.000 1.064 1031 V CA -1.178 61.164 62.300 0.069 0.000 0.979 1031 V CB 1.345 33.217 31.823 0.081 0.000 1.039 1031 V HN 0.755 nan 8.190 nan 0.000 0.452 1032 c N 2.756 121.356 118.600 -0.001 0.000 2.649 1032 c HA 0.405 4.975 4.570 -0.001 0.000 0.377 1032 c C -2.064 171.971 174.090 -0.091 0.000 1.321 1032 c CA -0.212 56.097 56.329 -0.034 0.000 2.368 1032 c CB -0.090 42.417 42.510 -0.006 0.000 2.597 1032 c HN 0.819 nan 8.230 nan 0.000 0.678 1033 P HA 0.036 nan 4.420 nan 0.000 0.262 1033 P C 0.231 177.380 177.300 -0.252 0.000 1.182 1033 P CA 0.983 63.947 63.100 -0.227 0.000 0.761 1033 P CB 0.164 31.710 31.700 -0.257 0.000 0.795 1034 M N -1.001 118.399 119.600 -0.333 0.000 2.939 1034 M HA -0.178 4.302 4.480 -0.001 0.000 0.194 1034 M C -0.182 176.147 176.300 0.047 0.000 0.617 1034 M CA 1.358 56.459 55.300 -0.330 0.000 0.734 1034 M CB -2.109 29.951 32.600 -0.901 0.000 2.637 1034 M HN 0.406 nan 8.290 nan 0.000 0.316 1035 E N 0.557 120.765 120.200 0.014 0.000 2.222 1035 E HA 0.712 5.062 4.350 -0.001 0.000 0.272 1035 E C 0.066 176.756 176.600 0.151 0.000 0.982 1035 E CA -0.104 56.376 56.400 0.135 0.000 0.842 1035 E CB 1.545 31.288 29.700 0.072 0.000 1.144 1035 E HN 0.141 nan 8.360 nan 0.000 0.397 1036 T N 0.576 115.232 114.554 0.170 0.000 2.886 1036 T HA 0.704 5.054 4.350 -0.001 0.000 0.292 1036 T C -0.816 173.909 174.700 0.042 0.000 1.012 1036 T CA -0.669 61.539 62.100 0.179 0.000 0.982 1036 T CB 1.661 70.648 68.868 0.199 0.000 1.018 1036 T HN 0.515 nan 8.240 nan 0.000 0.451 1037 A N 1.754 124.598 122.820 0.039 0.000 2.515 1037 A HA 0.994 5.314 4.320 -0.001 0.000 0.296 1037 A C -1.064 176.426 177.584 -0.157 0.000 1.094 1037 A CA -0.942 51.020 52.037 -0.124 0.000 0.718 1037 A CB 1.530 20.402 19.000 -0.213 0.000 1.307 1037 A HN 1.126 nan 8.150 nan 0.000 0.408 1038 A N 0.265 122.904 122.820 -0.301 0.000 2.365 1038 A HA 0.816 5.135 4.320 -0.001 0.000 0.318 1038 A C -1.628 175.758 177.584 -0.330 0.000 1.091 1038 A CA -0.349 51.618 52.037 -0.118 0.000 0.763 1038 A CB 0.766 19.781 19.000 0.025 0.000 1.248 1038 A HN 0.843 nan 8.150 nan 0.000 0.442 1039 Y N 0.143 120.651 120.300 0.347 0.000 2.512 1039 Y HA 0.590 5.140 4.550 -0.001 0.000 0.348 1039 Y C -0.218 175.829 175.900 0.245 0.000 0.990 1039 Y CA -0.941 57.315 58.100 0.260 0.000 1.033 1039 Y CB 2.461 41.045 38.460 0.206 0.000 1.259 1039 Y HN 0.415 nan 8.280 nan 0.000 0.461 1040 V N 2.366 122.461 119.914 0.302 0.000 2.531 1040 V HA 0.515 4.635 4.120 -0.001 0.000 0.301 1040 V C -0.691 175.478 176.094 0.125 0.000 1.034 1040 V CA -0.937 61.435 62.300 0.120 0.000 0.865 1040 V CB 1.826 33.657 31.823 0.014 0.000 0.995 1040 V HN 0.833 nan 8.190 nan 0.000 0.424 1041 S N 3.339 119.117 115.700 0.131 0.000 2.489 1041 S HA 0.737 5.206 4.470 -0.001 0.000 0.291 1041 S C -0.271 174.278 174.600 -0.085 0.000 1.151 1041 S CA -0.605 57.609 58.200 0.022 0.000 1.082 1041 S CB 1.617 64.910 63.200 0.156 0.000 1.019 1041 S HN 0.570 nan 8.310 nan 0.000 0.492 1042 S N 2.505 118.042 115.700 -0.271 0.000 2.501 1042 S HA 0.550 5.019 4.470 -0.001 0.000 0.301 1042 S C -0.844 173.465 174.600 -0.485 0.000 1.096 1042 S CA -0.787 57.285 58.200 -0.213 0.000 1.063 1042 S CB 0.535 63.666 63.200 -0.114 0.000 1.042 1042 S HN 0.795 nan 8.310 nan 0.000 0.494 1043 H N 0.376 119.430 119.070 -0.027 0.000 2.679 1043 H HA 0.355 4.910 4.556 -0.001 0.000 0.360 1043 H C -0.581 174.738 175.328 -0.015 0.000 1.105 1043 H CA -0.519 55.516 56.048 -0.022 0.000 1.196 1043 H CB 1.905 31.656 29.762 -0.019 0.000 1.636 1043 H HN 0.569 nan 8.280 nan 0.000 0.531 1044 S N 2.227 117.977 115.700 0.084 0.000 2.481 1044 S HA 0.291 4.761 4.470 -0.001 0.000 0.276 1044 S C 0.259 174.896 174.600 0.061 0.000 1.247 1044 S CA -0.414 57.817 58.200 0.052 0.000 1.053 1044 S CB -0.043 63.175 63.200 0.031 0.000 0.925 1044 S HN 0.725 nan 8.310 nan 0.000 0.491 1045 S N 0.000 115.726 115.700 0.044 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.220 58.200 0.034 0.000 1.107 1045 S CB 0.000 63.218 63.200 0.030 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517