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 3dx1_1_A DATA FIRST_RESID 30 DATA SEQUENCE QcQDVVQDVP NVDVQMLELY DRMSFKDIDG GVWKQGWNIK YDPLKYNAHH DATA SEQUENCE KLKVFVVPHS HNDPGWIQTF EEYYQHDTKH ILSNALRHLH DNPEMKFIWA DATA SEQUENCE EISYFARFYH DLGENKKLQM KSIVKNGQLE FVTGGWVMPD EANSHWRNVL DATA SEQUENCE LQLTEGQTWL KQFMNVTPTA SWAIDPFGHS PTMPYILQKS GFKNMLIQRT DATA SEQUENCE HYSVKKELAQ QRQLEFLWRQ IWDNKGDTAL FTHMMPFYSY DIPHTcGPDP DATA SEQUENCE KVccQFDFKR MGSFGLScPW KVPPRTISDQ NVAARSDLLV DQWKKKAELY DATA SEQUENCE RTNVLLIPLG DDFRFKQNTE WDVQRVNYER LFEHINSQAH FNVQAQFGTL DATA SEQUENCE QEYFDAVHQA ERAGQAEFPT LSGDFFTYAD RSDNYWSGYY TSRPYHKRMD DATA SEQUENCE RVLMHYVRAA EMLSAWHSWD GMARIEERLE QARRELSLFQ HHDGITGTAK DATA SEQUENCE THVVVDYEQR MQEALKACQM VMQQSVYRLL TKPSIYSPDF SFSYFTLDDS DATA SEQUENCE RWPGSGVEDS RTTIILGEDI LPSKHVVMHN TLPHWREQLV DFYVSSPFVS DATA SEQUENCE VTDLANNPVE AQVSPVWSWH HDTLTKTIHP QGSTTKYRII FKARVPPMGL DATA SEQUENCE ATYVLTISDS KPEHTSYASN LLLRKNPTSL PLGQYPEDVK FGDPREISLR DATA SEQUENCE VGNGPTLAFS EQGLLKSIQL TQDSPHVPVH FKFLKYGVRS HGDRSGAYLF DATA SEQUENCE LPNGPASPVE LGQPVVLVTK GKLESSVSVG LPSVVHQTIM RGGAPEIRNL DATA SEQUENCE VDIGSLDNTE IVMRLETHID SGDIFYTDLN GLQFIKRRRL DKLPLQANYY DATA SEQUENCE PIPSGMFIED ANTRLTLLTG QPLGGSSLAS GELEIMQDRR LASDDERGLG DATA SEQUENCE QGVLDNKPVL HIYRLVLEKV NNcVRPSKLH PAGYLTSAAH KASQSLLDPL DATA SEQUENCE DKFIFAENEW IGAQGQFGGD HPSAREDLDV SVMRRLTKSS AKTQRVGYVL DATA SEQUENCE HRTNLMQcGT PEEHTQKLDV cHLLPNVARc ERTTLTFLQN LEHLDGMVAP DATA SEQUENCE EVcPMETAAY VSSHSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 176.009 176.000 0.015 0.000 1.003 30 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 30 Q CB 0.000 28.743 28.738 0.009 0.000 1.108 31 c N 2.584 121.189 118.600 0.008 0.000 2.653 31 c HA 0.133 4.703 4.570 -0.000 0.000 0.421 31 c C 0.495 174.598 174.090 0.022 0.000 1.334 31 c CA -0.200 56.136 56.329 0.011 0.000 1.885 31 c CB 0.095 42.599 42.510 -0.011 0.000 2.645 31 c HN 0.607 nan 8.230 nan 0.000 0.601 32 Q N 1.937 121.765 119.800 0.048 0.000 2.315 32 Q HA 0.010 4.350 4.340 -0.000 0.000 0.289 32 Q C 0.063 176.095 176.000 0.053 0.000 1.044 32 Q CA 0.534 56.381 55.803 0.074 0.000 0.920 32 Q CB 0.478 29.298 28.738 0.137 0.000 1.214 32 Q HN 0.635 nan 8.270 nan 0.000 0.392 33 D N 1.908 122.340 120.400 0.053 0.000 2.343 33 D HA 0.051 4.691 4.640 -0.000 0.000 0.255 33 D C 0.493 176.837 176.300 0.074 0.000 1.187 33 D CA -0.195 53.818 54.000 0.023 0.000 0.875 33 D CB 1.203 42.015 40.800 0.020 0.000 1.136 33 D HN 0.371 nan 8.370 nan 0.000 0.469 34 V N 2.167 122.080 119.914 -0.001 0.000 3.596 34 V HA 0.113 4.233 4.120 -0.000 0.000 0.289 34 V C 1.056 177.194 176.094 0.073 0.000 1.336 34 V CA 0.062 62.422 62.300 0.100 0.000 1.137 34 V CB 0.251 31.965 31.823 -0.182 0.000 0.966 34 V HN 0.390 nan 8.190 nan 0.000 0.428 35 V N -0.088 119.788 119.914 -0.063 0.000 2.911 35 V HA 0.124 4.244 4.120 -0.000 0.000 0.237 35 V C 2.224 178.293 176.094 -0.041 0.000 1.156 35 V CA 1.176 63.389 62.300 -0.144 0.000 1.180 35 V CB 0.087 31.777 31.823 -0.221 0.000 0.932 35 V HN 0.478 nan 8.190 nan 0.000 0.483 36 Q N -0.220 119.607 119.800 0.044 0.000 2.319 36 Q HA 0.147 4.487 4.340 -0.000 0.000 0.209 36 Q C -0.593 175.486 176.000 0.131 0.000 0.884 36 Q CA 0.179 56.025 55.803 0.071 0.000 0.938 36 Q CB 0.702 29.457 28.738 0.028 0.000 1.098 36 Q HN 0.547 nan 8.270 nan 0.000 0.517 37 D N 1.142 121.652 120.400 0.183 0.000 2.344 37 D HA 0.191 4.831 4.640 -0.000 0.000 0.239 37 D C -0.596 175.826 176.300 0.204 0.000 1.064 37 D CA -0.332 53.764 54.000 0.160 0.000 0.829 37 D CB 2.554 43.423 40.800 0.116 0.000 1.129 37 D HN -0.189 nan 8.370 nan 0.000 0.506 38 V N 4.186 124.181 119.914 0.135 0.000 2.427 38 V HA 0.167 4.286 4.120 -0.000 0.000 0.268 38 V C -1.871 174.204 176.094 -0.030 0.000 1.046 38 V CA -1.207 61.099 62.300 0.010 0.000 0.970 38 V CB 0.604 32.438 31.823 0.018 0.000 1.001 38 V HN 0.330 nan 8.190 nan 0.000 0.476 39 P HA 0.099 nan 4.420 nan 0.000 0.269 39 P C -0.478 176.795 177.300 -0.046 0.000 1.209 39 P CA -0.186 62.885 63.100 -0.048 0.000 0.776 39 P CB 0.366 32.019 31.700 -0.078 0.000 0.876 40 N N 2.379 121.067 118.700 -0.020 0.000 2.462 40 N HA 0.333 5.072 4.740 -0.000 0.000 0.242 40 N C -1.113 174.388 175.510 -0.015 0.000 1.010 40 N CA -0.467 52.574 53.050 -0.016 0.000 0.939 40 N CB 0.081 38.567 38.487 -0.001 0.000 1.127 40 N HN 0.127 nan 8.380 nan 0.000 0.509 41 V N 0.462 120.360 119.914 -0.027 0.000 2.960 41 V HA 0.541 4.661 4.120 -0.000 0.000 0.315 41 V C 0.593 176.671 176.094 -0.026 0.000 1.087 41 V CA -0.739 61.548 62.300 -0.022 0.000 0.982 41 V CB 2.051 33.849 31.823 -0.041 0.000 1.039 41 V HN 0.392 nan 8.190 nan 0.000 0.437 42 D N 1.080 121.471 120.400 -0.014 0.000 2.144 42 D HA 0.015 4.654 4.640 -0.000 0.000 0.200 42 D C 0.507 176.775 176.300 -0.053 0.000 0.978 42 D CA 1.590 55.579 54.000 -0.019 0.000 0.833 42 D CB 0.460 41.264 40.800 0.008 0.000 0.961 42 D HN 0.427 nan 8.370 nan 0.000 0.470 43 V N 1.554 121.416 119.914 -0.088 0.000 2.443 43 V HA 0.208 4.328 4.120 -0.000 0.000 0.293 43 V C -0.337 175.660 176.094 -0.162 0.000 1.021 43 V CA -0.736 61.481 62.300 -0.138 0.000 0.848 43 V CB 2.347 34.044 31.823 -0.211 0.000 0.998 43 V HN -0.079 nan 8.190 nan 0.000 0.424 44 Q N 4.603 124.319 119.800 -0.140 0.000 2.341 44 Q HA 0.434 4.774 4.340 -0.000 0.000 0.268 44 Q C 0.424 176.325 176.000 -0.166 0.000 1.013 44 Q CA -0.684 55.028 55.803 -0.151 0.000 0.798 44 Q CB 1.878 30.549 28.738 -0.112 0.000 1.253 44 Q HN 0.669 nan 8.270 nan 0.000 0.457 45 M N 3.025 122.478 119.600 -0.244 0.000 2.213 45 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 45 M C 1.596 177.787 176.300 -0.182 0.000 1.062 45 M CA 0.952 56.094 55.300 -0.264 0.000 1.105 45 M CB -0.772 31.538 32.600 -0.483 0.000 1.385 45 M HN 0.567 nan 8.290 nan 0.000 0.417 46 L N 0.684 121.798 121.223 -0.182 0.000 2.093 46 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 46 L C 2.480 179.340 176.870 -0.016 0.000 1.085 46 L CA 1.772 56.539 54.840 -0.120 0.000 0.755 46 L CB -0.630 41.334 42.059 -0.157 0.000 0.904 46 L HN 0.273 nan 8.230 nan 0.000 0.435 47 E N -0.390 119.788 120.200 -0.037 0.000 2.072 47 E HA -0.230 4.119 4.350 -0.000 0.000 0.191 47 E C 2.182 178.793 176.600 0.019 0.000 0.985 47 E CA 1.402 57.794 56.400 -0.012 0.000 0.801 47 E CB -0.254 29.424 29.700 -0.037 0.000 0.750 47 E HN 0.444 nan 8.360 nan 0.000 0.452 48 L N 0.475 121.708 121.223 0.017 0.000 2.017 48 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 48 L C 2.276 179.217 176.870 0.118 0.000 1.073 48 L CA 1.635 56.492 54.840 0.028 0.000 0.745 48 L CB -0.999 41.063 42.059 0.005 0.000 0.894 48 L HN 0.116 nan 8.230 nan 0.000 0.432 49 Y N -0.037 120.265 120.300 0.003 0.000 2.207 49 Y HA -0.275 4.275 4.550 -0.001 0.000 0.287 49 Y C 2.550 178.544 175.900 0.157 0.000 1.156 49 Y CA 1.827 60.019 58.100 0.153 0.000 1.182 49 Y CB -0.646 37.906 38.460 0.153 0.000 0.979 49 Y HN 0.363 nan 8.280 nan 0.000 0.521 50 D N -0.673 119.840 120.400 0.188 0.000 2.219 50 D HA -0.101 4.538 4.640 -0.000 0.000 0.205 50 D C 1.998 178.341 176.300 0.072 0.000 0.970 50 D CA 1.124 55.190 54.000 0.109 0.000 0.851 50 D CB 0.091 40.927 40.800 0.061 0.000 0.943 50 D HN 0.269 nan 8.370 nan 0.000 0.488 51 R N -1.100 119.425 120.500 0.041 0.000 2.128 51 R HA 0.222 4.562 4.340 -0.000 0.000 0.211 51 R C 0.928 177.206 176.300 -0.035 0.000 1.067 51 R CA -0.034 56.064 56.100 -0.003 0.000 1.010 51 R CB 0.082 30.366 30.300 -0.027 0.000 0.922 51 R HN 0.187 nan 8.270 nan 0.000 0.457 52 M N 1.021 120.563 119.600 -0.097 0.000 2.252 52 M HA -0.061 4.419 4.480 -0.000 0.000 0.333 52 M C 1.275 177.506 176.300 -0.115 0.000 1.111 52 M CA 0.434 55.579 55.300 -0.257 0.000 1.140 52 M CB 1.188 33.351 32.600 -0.729 0.000 1.538 52 M HN 0.114 nan 8.290 nan 0.000 0.448 53 S N 1.222 116.847 115.700 -0.125 0.000 2.517 53 S HA 0.099 4.569 4.470 -0.000 0.000 0.214 53 S C 0.540 175.237 174.600 0.161 0.000 0.991 53 S CA -0.296 57.930 58.200 0.043 0.000 0.906 53 S CB -0.170 63.032 63.200 0.003 0.000 0.789 53 S HN 0.759 nan 8.310 nan 0.000 0.513 54 F N 0.878 120.756 119.950 -0.121 0.000 3.093 54 F HA -0.147 4.380 4.527 -0.000 0.000 0.287 54 F C 0.178 175.984 175.800 0.010 0.000 0.882 54 F CA 0.332 58.264 58.000 -0.114 0.000 1.063 54 F CB -1.895 37.012 39.000 -0.155 0.000 1.097 54 F HN 0.121 nan 8.300 nan 0.000 0.604 55 K N 1.028 121.503 120.400 0.125 0.000 2.298 55 K HA 0.203 4.523 4.320 -0.000 0.000 0.280 55 K C 0.213 176.922 176.600 0.181 0.000 1.032 55 K CA -0.268 56.099 56.287 0.134 0.000 0.958 55 K CB 0.757 33.297 32.500 0.067 0.000 0.978 55 K HN 0.068 nan 8.250 nan 0.000 0.472 56 D N 3.612 124.131 120.400 0.199 0.000 2.557 56 D HA 0.175 4.815 4.640 -0.000 0.000 0.236 56 D C -0.236 176.112 176.300 0.081 0.000 1.154 56 D CA -0.494 53.631 54.000 0.208 0.000 0.985 56 D CB -0.565 40.368 40.800 0.222 0.000 1.010 56 D HN 0.472 nan 8.370 nan 0.000 0.516 57 I N -1.451 119.154 120.570 0.058 0.000 2.676 57 I HA 0.519 4.689 4.170 -0.000 0.000 0.309 57 I C 0.071 176.180 176.117 -0.012 0.000 0.990 57 I CA -1.045 60.266 61.300 0.018 0.000 1.168 57 I CB 1.461 39.471 38.000 0.017 0.000 1.343 57 I HN -0.137 nan 8.210 nan 0.000 0.482 58 D N 3.680 124.071 120.400 -0.014 0.000 2.346 58 D HA 0.201 4.841 4.640 -0.000 0.000 0.260 58 D C 0.927 177.216 176.300 -0.019 0.000 1.252 58 D CA 0.008 53.993 54.000 -0.024 0.000 0.895 58 D CB 1.501 42.293 40.800 -0.013 0.000 1.097 58 D HN 0.816 nan 8.370 nan 0.000 0.489 59 G N 2.383 111.156 108.800 -0.045 0.000 3.042 59 G HA2 0.449 4.409 3.960 -0.000 0.000 0.212 59 G HA3 0.449 4.409 3.960 -0.000 0.000 0.212 59 G C 0.878 175.781 174.900 0.005 0.000 1.166 59 G CA 0.351 45.428 45.100 -0.039 0.000 0.767 59 G HN 0.933 nan 8.290 nan 0.000 0.546 60 G N -0.556 108.252 108.800 0.014 0.000 2.445 60 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.212 60 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.212 60 G C 1.195 176.119 174.900 0.040 0.000 1.217 60 G CA 0.663 45.782 45.100 0.033 0.000 1.002 60 G HN 1.100 nan 8.290 nan 0.000 0.574 61 V N -3.548 116.388 119.914 0.037 0.000 2.392 61 V HA 0.068 4.188 4.120 -0.000 0.000 0.249 61 V C 1.476 177.602 176.094 0.052 0.000 1.059 61 V CA 2.427 64.733 62.300 0.009 0.000 1.051 61 V CB -0.604 31.190 31.823 -0.049 0.000 0.658 61 V HN 1.462 nan 8.190 nan 0.000 0.455 62 W N 2.568 123.780 121.300 -0.147 0.000 2.365 62 W HA 0.452 5.111 4.660 -0.001 0.000 0.371 62 W C 1.106 177.591 176.519 -0.058 0.000 1.006 62 W CA -1.752 55.498 57.345 -0.158 0.000 1.528 62 W CB 0.353 29.683 29.460 -0.218 0.000 1.497 62 W HN -0.011 nan 8.180 nan 0.000 0.367 63 K N 2.664 123.157 120.400 0.154 0.000 2.103 63 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 63 K C 1.110 177.638 176.600 -0.120 0.000 1.048 63 K CA 1.582 57.869 56.287 -0.001 0.000 0.930 63 K CB -0.011 32.481 32.500 -0.014 0.000 0.716 63 K HN 0.600 nan 8.250 nan 0.000 0.444 64 Q N -0.916 118.773 119.800 -0.185 0.000 2.198 64 Q HA 0.198 4.538 4.340 -0.000 0.000 0.209 64 Q C 0.789 176.447 176.000 -0.571 0.000 0.848 64 Q CA -0.185 55.491 55.803 -0.212 0.000 0.974 64 Q CB 1.197 29.944 28.738 0.015 0.000 1.115 64 Q HN 0.219 nan 8.270 nan 0.000 0.494 65 G N 0.632 108.675 108.800 -1.262 0.000 3.356 65 G HA2 0.522 4.482 3.960 -0.000 0.000 0.178 65 G HA3 0.522 4.482 3.960 -0.000 0.000 0.178 65 G C -1.416 173.171 174.900 -0.521 0.000 1.175 65 G CA -0.377 43.652 45.100 -1.785 0.000 0.840 65 G HN 0.350 nan 8.290 nan 0.000 0.658 66 W N -1.416 119.597 121.300 -0.479 0.000 3.025 66 W HA 0.620 5.280 4.660 -0.000 0.000 0.343 66 W C -1.379 175.225 176.519 0.141 0.000 1.246 66 W CA -1.196 56.092 57.345 -0.095 0.000 1.178 66 W CB 0.675 30.096 29.460 -0.066 0.000 1.463 66 W HN 0.187 nan 8.180 nan 0.000 0.578 67 N N 2.277 121.120 118.700 0.239 0.000 2.400 67 N HA 0.179 4.919 4.740 -0.000 0.000 0.267 67 N C -0.244 175.399 175.510 0.221 0.000 1.208 67 N CA 0.132 53.283 53.050 0.167 0.000 0.951 67 N CB 0.185 38.773 38.487 0.168 0.000 1.227 67 N HN 0.409 nan 8.380 nan 0.000 0.488 68 I N 1.990 122.590 120.570 0.051 0.000 2.556 68 I HA -0.000 4.169 4.170 -0.000 0.000 0.284 68 I C 0.835 177.110 176.117 0.263 0.000 1.114 68 I CA 0.325 61.734 61.300 0.181 0.000 1.418 68 I CB 0.482 38.530 38.000 0.080 0.000 1.394 68 I HN 0.106 nan 8.210 nan 0.000 0.552 69 K N 6.232 126.824 120.400 0.320 0.000 2.259 69 K HA 0.570 4.890 4.320 -0.000 0.000 0.252 69 K C -1.318 175.442 176.600 0.267 0.000 0.936 69 K CA -0.694 55.715 56.287 0.203 0.000 0.810 69 K CB 2.165 34.754 32.500 0.148 0.000 1.143 69 K HN 0.478 nan 8.250 nan 0.000 0.427 70 Y N -1.796 118.593 120.300 0.149 0.000 2.581 70 Y HA 0.437 4.987 4.550 -0.001 0.000 0.345 70 Y C -1.003 174.966 175.900 0.115 0.000 1.036 70 Y CA -1.568 56.620 58.100 0.146 0.000 1.042 70 Y CB 1.184 39.757 38.460 0.187 0.000 1.289 70 Y HN 0.388 nan 8.280 nan 0.000 0.471 71 D N 3.873 124.400 120.400 0.211 0.000 2.313 71 D HA 0.280 4.920 4.640 -0.000 0.000 0.239 71 D C -1.673 174.766 176.300 0.232 0.000 1.142 71 D CA -2.725 51.343 54.000 0.114 0.000 0.847 71 D CB 1.625 42.468 40.800 0.071 0.000 1.082 71 D HN 0.433 nan 8.370 nan 0.000 0.480 72 P HA -0.109 nan 4.420 nan 0.000 0.219 72 P C 1.415 178.860 177.300 0.241 0.000 1.146 72 P CA 0.665 63.958 63.100 0.323 0.000 0.808 72 P CB 0.397 32.218 31.700 0.202 0.000 0.779 73 L N -0.600 120.702 121.223 0.131 0.000 2.599 73 L HA 0.061 4.401 4.340 -0.000 0.000 0.230 73 L C 2.594 179.483 176.870 0.031 0.000 1.141 73 L CA 0.476 55.366 54.840 0.083 0.000 0.877 73 L CB -0.628 41.459 42.059 0.046 0.000 1.009 73 L HN 0.013 nan 8.230 nan 0.000 0.447 74 K N 0.479 120.862 120.400 -0.028 0.000 2.097 74 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 74 K C -0.044 176.373 176.600 -0.304 0.000 1.049 74 K CA 1.109 57.250 56.287 -0.243 0.000 0.933 74 K CB 0.103 32.340 32.500 -0.438 0.000 0.717 74 K HN 0.081 nan 8.250 nan 0.000 0.442 75 Y N 0.584 121.008 120.300 0.208 0.000 2.419 75 Y HA 0.277 4.827 4.550 0.000 0.000 0.328 75 Y C 0.183 176.175 175.900 0.153 0.000 1.162 75 Y CA -1.045 57.183 58.100 0.214 0.000 1.174 75 Y CB 1.326 39.873 38.460 0.145 0.000 1.228 75 Y HN 0.261 nan 8.280 nan 0.000 0.473 76 N N -0.826 118.050 118.700 0.293 0.000 3.378 76 N HA 0.470 5.210 4.740 -0.000 0.000 0.294 76 N C -0.101 175.486 175.510 0.128 0.000 1.544 76 N CA -0.372 52.773 53.050 0.159 0.000 0.872 76 N CB 0.265 38.810 38.487 0.096 0.000 1.670 76 N HN 0.503 nan 8.380 nan 0.000 0.551 77 A N -1.384 121.453 122.820 0.028 0.000 2.019 77 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 77 A C 0.826 178.527 177.584 0.194 0.000 1.164 77 A CA 1.426 53.480 52.037 0.028 0.000 0.644 77 A CB -0.985 17.951 19.000 -0.106 0.000 0.805 77 A HN 0.662 nan 8.150 nan 0.000 0.449 78 H N -2.535 116.592 119.070 0.096 0.000 2.529 78 H HA 0.251 4.806 4.556 -0.001 0.000 0.277 78 H C -0.547 174.881 175.328 0.168 0.000 1.004 78 H CA 0.328 56.435 56.048 0.099 0.000 1.167 78 H CB -0.035 29.776 29.762 0.080 0.000 1.445 78 H HN 0.707 nan 8.280 nan 0.000 0.554 79 H N 0.047 119.227 119.070 0.183 0.000 2.750 79 H HA 0.292 4.848 4.556 0.000 0.000 0.261 79 H C -0.731 174.726 175.328 0.215 0.000 1.387 79 H CA -0.437 55.708 56.048 0.162 0.000 1.557 79 H CB 0.132 29.974 29.762 0.134 0.000 1.756 79 H HN -0.029 nan 8.280 nan 0.000 0.580 80 K N 1.748 122.112 120.400 -0.061 0.000 2.090 80 K HA 0.336 4.656 4.320 -0.000 0.000 0.249 80 K C -0.715 175.767 176.600 -0.197 0.000 0.995 80 K CA -1.270 54.982 56.287 -0.058 0.000 0.914 80 K CB 1.642 34.099 32.500 -0.072 0.000 1.057 80 K HN 0.208 nan 8.250 nan 0.000 0.462 81 L N 2.059 123.087 121.223 -0.325 0.000 2.281 81 L HA 0.169 4.509 4.340 -0.000 0.000 0.285 81 L C -0.844 175.818 176.870 -0.346 0.000 1.074 81 L CA 0.336 54.915 54.840 -0.436 0.000 0.817 81 L CB 0.293 41.872 42.059 -0.801 0.000 1.168 81 L HN 0.364 nan 8.230 nan 0.000 0.434 82 K N 5.028 125.239 120.400 -0.315 0.000 2.263 82 K HA 0.510 4.830 4.320 -0.000 0.000 0.272 82 K C -1.272 175.005 176.600 -0.540 0.000 1.033 82 K CA -0.687 55.351 56.287 -0.415 0.000 0.884 82 K CB 1.777 34.089 32.500 -0.314 0.000 1.107 82 K HN 0.401 nan 8.250 nan 0.000 0.460 83 V N 4.630 124.098 119.914 -0.744 0.000 2.417 83 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 83 V C -0.804 174.729 176.094 -0.935 0.000 1.024 83 V CA -0.817 60.994 62.300 -0.814 0.000 0.861 83 V CB 0.712 31.879 31.823 -1.093 0.000 0.985 83 V HN 0.537 nan 8.190 nan 0.000 0.436 84 F N 3.632 123.342 119.950 -0.400 0.000 2.361 84 F HA 0.499 5.025 4.527 -0.001 0.000 0.364 84 F C 0.185 175.811 175.800 -0.291 0.000 1.117 84 F CA -0.702 57.117 58.000 -0.303 0.000 1.071 84 F CB 1.751 40.639 39.000 -0.187 0.000 1.188 84 F HN 0.187 nan 8.300 nan 0.000 0.464 85 V N 5.106 124.983 119.914 -0.061 0.000 2.385 85 V HA 0.287 4.407 4.120 -0.000 0.000 0.269 85 V C -0.181 176.015 176.094 0.171 0.000 1.043 85 V CA -0.600 61.733 62.300 0.054 0.000 0.906 85 V CB 1.202 33.124 31.823 0.165 0.000 0.995 85 V HN 0.429 nan 8.190 nan 0.000 0.467 86 V N 8.378 128.340 119.914 0.081 0.000 2.275 86 V HA 0.314 4.433 4.120 -0.000 0.000 0.272 86 V C -2.368 173.756 176.094 0.049 0.000 1.028 86 V CA -1.916 60.393 62.300 0.016 0.000 0.810 86 V CB 1.438 33.179 31.823 -0.136 0.000 1.043 86 V HN 0.723 nan 8.190 nan 0.000 0.453 87 P HA 0.332 nan 4.420 nan 0.000 0.271 87 P C -0.856 176.419 177.300 -0.042 0.000 1.216 87 P CA 0.261 63.322 63.100 -0.066 0.000 0.771 87 P CB 0.365 31.835 31.700 -0.384 0.000 0.864 88 H N -1.104 117.945 119.070 -0.035 0.000 3.017 88 H HA 0.782 5.338 4.556 -0.000 0.000 0.346 88 H C -1.535 173.878 175.328 0.142 0.000 1.286 88 H CA -1.091 54.841 56.048 -0.195 0.000 1.120 88 H CB 0.934 30.536 29.762 -0.267 0.000 1.860 88 H HN 0.193 nan 8.280 nan 0.000 0.542 89 S N 0.762 116.466 115.700 0.006 0.000 2.736 89 S HA 0.215 4.685 4.470 -0.000 0.000 0.285 89 S C -1.813 172.712 174.600 -0.125 0.000 1.163 89 S CA -0.664 57.582 58.200 0.077 0.000 1.025 89 S CB 0.158 63.582 63.200 0.374 0.000 1.030 89 S HN 0.842 nan 8.310 nan 0.000 0.486 90 H N 4.412 123.379 119.070 -0.171 0.000 2.800 90 H HA 0.427 4.983 4.556 -0.000 0.000 0.291 90 H C -0.134 174.800 175.328 -0.657 0.000 1.076 90 H CA 0.274 56.137 56.048 -0.308 0.000 1.452 90 H CB 0.262 29.901 29.762 -0.206 0.000 1.461 90 H HN 0.563 nan 8.280 nan 0.000 0.488 91 N N 5.629 123.674 118.700 -1.091 0.000 2.564 91 N HA 0.056 4.795 4.740 -0.000 0.000 0.248 91 N C -1.184 173.864 175.510 -0.769 0.000 0.986 91 N CA -0.610 51.661 53.050 -1.299 0.000 0.921 91 N CB 1.041 39.050 38.487 -0.797 0.000 1.136 91 N HN 0.666 nan 8.380 nan 0.000 0.509 92 D N 2.643 122.616 120.400 -0.712 0.000 2.371 92 D HA 0.082 4.721 4.640 -0.000 0.000 0.256 92 D C -2.077 174.282 176.300 0.099 0.000 1.193 92 D CA -0.737 53.132 54.000 -0.218 0.000 0.881 92 D CB 1.325 42.253 40.800 0.213 0.000 1.143 92 D HN 0.200 nan 8.370 nan 0.000 0.473 93 P HA 0.197 nan 4.420 nan 0.000 0.230 93 P C -0.003 177.496 177.300 0.331 0.000 1.791 93 P CA -0.010 63.112 63.100 0.038 0.000 1.020 93 P CB 0.238 31.821 31.700 -0.195 0.000 1.977 94 G N 0.406 109.579 108.800 0.622 0.000 2.911 94 G HA2 0.019 3.978 3.960 -0.000 0.000 0.686 94 G HA3 0.019 3.978 3.960 -0.000 0.000 0.686 94 G C -1.099 174.334 174.900 0.887 0.000 1.136 94 G CA -0.625 44.872 45.100 0.662 0.000 0.764 94 G HN 0.361 nan 8.290 nan 0.000 0.626 95 W N 2.298 123.939 121.300 0.568 0.000 4.511 95 W HA 0.289 4.949 4.660 -0.000 0.000 0.159 95 W C 0.863 177.556 176.519 0.290 0.000 3.471 95 W CA 0.883 58.523 57.345 0.492 0.000 1.173 95 W CB -0.747 29.083 29.460 0.617 0.000 2.090 95 W HN 0.522 nan 8.180 nan 0.000 0.393 96 I N 2.154 122.714 120.570 -0.016 0.000 3.226 96 I HA 0.125 4.295 4.170 -0.000 0.000 0.277 96 I C 0.445 176.415 176.117 -0.245 0.000 1.243 96 I CA 1.102 62.210 61.300 -0.320 0.000 1.459 96 I CB -1.103 36.646 38.000 -0.418 0.000 1.093 96 I HN 0.010 nan 8.210 nan 0.000 0.453 97 Q N 0.341 119.843 119.800 -0.497 0.000 2.458 97 Q HA 0.363 4.702 4.340 -0.000 0.000 0.282 97 Q C 0.178 175.925 176.000 -0.423 0.000 1.106 97 Q CA -0.391 55.049 55.803 -0.605 0.000 0.814 97 Q CB 2.209 30.261 28.738 -1.143 0.000 1.425 97 Q HN 0.262 nan 8.270 nan 0.000 0.437 98 T N -2.306 112.114 114.554 -0.223 0.000 2.766 98 T HA 0.152 4.502 4.350 -0.000 0.000 0.295 98 T C 1.111 175.918 174.700 0.179 0.000 1.024 98 T CA -0.448 61.612 62.100 -0.067 0.000 1.018 98 T CB 0.263 69.122 68.868 -0.014 0.000 1.002 98 T HN 0.516 nan 8.240 nan 0.000 0.532 99 F N 1.239 121.283 119.950 0.156 0.000 2.063 99 F HA -0.177 4.350 4.527 -0.001 0.000 0.298 99 F C 2.472 178.495 175.800 0.372 0.000 1.109 99 F CA 2.467 60.636 58.000 0.282 0.000 1.212 99 F CB -0.350 38.701 39.000 0.084 0.000 0.973 99 F HN 0.787 nan 8.300 nan 0.000 0.480 100 E N 0.305 120.746 120.200 0.401 0.000 2.107 100 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 100 E C 2.003 178.758 176.600 0.258 0.000 0.982 100 E CA 1.651 58.250 56.400 0.333 0.000 0.809 100 E CB -0.280 29.605 29.700 0.308 0.000 0.756 100 E HN 0.616 nan 8.360 nan 0.000 0.459 101 E N -1.002 119.299 120.200 0.168 0.000 2.051 101 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 101 E C 1.765 178.430 176.600 0.109 0.000 0.991 101 E CA 1.134 57.585 56.400 0.086 0.000 0.799 101 E CB -0.233 29.449 29.700 -0.030 0.000 0.748 101 E HN 0.342 nan 8.360 nan 0.000 0.449 102 Y N -0.601 119.758 120.300 0.098 0.000 2.242 102 Y HA -0.232 4.318 4.550 -0.000 0.000 0.291 102 Y C 2.144 178.063 175.900 0.032 0.000 1.137 102 Y CA 1.057 59.166 58.100 0.015 0.000 1.181 102 Y CB -0.646 37.872 38.460 0.096 0.000 0.989 102 Y HN 0.189 nan 8.280 nan 0.000 0.527 103 Y N 0.800 121.194 120.300 0.158 0.000 2.145 103 Y HA -0.277 4.273 4.550 -0.001 0.000 0.286 103 Y C 2.281 178.214 175.900 0.055 0.000 1.145 103 Y CA 1.875 60.005 58.100 0.050 0.000 1.148 103 Y CB -0.309 38.164 38.460 0.021 0.000 0.981 103 Y HN 0.023 nan 8.280 nan 0.000 0.507 104 Q N -1.094 118.722 119.800 0.027 0.000 2.123 104 Q HA -0.199 4.141 4.340 -0.000 0.000 0.199 104 Q C 2.081 178.086 176.000 0.009 0.000 0.966 104 Q CA 2.042 57.817 55.803 -0.048 0.000 0.845 104 Q CB -0.543 28.267 28.738 0.121 0.000 0.907 104 Q HN 0.711 nan 8.270 nan 0.000 0.439 105 H N -0.247 118.836 119.070 0.021 0.000 2.525 105 H HA 0.025 4.580 4.556 -0.000 0.000 0.275 105 H C 0.813 176.234 175.328 0.154 0.000 0.984 105 H CA 1.108 57.208 56.048 0.086 0.000 1.264 105 H CB 0.685 30.465 29.762 0.031 0.000 1.432 105 H HN 0.115 nan 8.280 nan 0.000 0.549 106 D N -2.107 118.395 120.400 0.170 0.000 2.971 106 D HA 0.008 4.647 4.640 -0.000 0.000 0.221 106 D C 1.595 177.952 176.300 0.095 0.000 1.406 106 D CA 0.770 54.868 54.000 0.163 0.000 1.328 106 D CB 0.181 41.028 40.800 0.079 0.000 1.369 106 D HN 0.153 nan 8.370 nan 0.000 0.364 107 T N 2.466 117.009 114.554 -0.018 0.000 2.821 107 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 107 T C 1.910 176.454 174.700 -0.259 0.000 1.046 107 T CA 1.420 63.468 62.100 -0.087 0.000 1.139 107 T CB -0.040 68.625 68.868 -0.339 0.000 0.871 107 T HN 0.244 nan 8.240 nan 0.000 0.454 108 K N 0.745 120.808 120.400 -0.562 0.000 2.148 108 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 108 K C 1.923 178.280 176.600 -0.405 0.000 1.050 108 K CA 1.374 57.314 56.287 -0.579 0.000 0.942 108 K CB -0.345 31.585 32.500 -0.950 0.000 0.724 108 K HN 0.388 nan 8.250 nan 0.000 0.446 109 H N 0.957 119.941 119.070 -0.143 0.000 2.403 109 H HA 0.066 4.621 4.556 -0.000 0.000 0.298 109 H C 2.274 177.591 175.328 -0.019 0.000 1.059 109 H CA 1.365 57.380 56.048 -0.057 0.000 1.363 109 H CB -0.122 29.614 29.762 -0.042 0.000 1.410 109 H HN 0.183 nan 8.280 nan 0.000 0.528 110 I N 0.759 121.401 120.570 0.120 0.000 2.163 110 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 110 I C 2.429 178.554 176.117 0.014 0.000 1.085 110 I CA 1.175 62.593 61.300 0.196 0.000 1.347 110 I CB -0.251 37.932 38.000 0.306 0.000 1.044 110 I HN 0.099 nan 8.210 nan 0.000 0.408 111 L N -0.490 120.523 121.223 -0.351 0.000 2.109 111 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 111 L C 2.671 179.184 176.870 -0.594 0.000 1.086 111 L CA 0.923 55.306 54.840 -0.761 0.000 0.760 111 L CB -0.446 40.578 42.059 -1.726 0.000 0.910 111 L HN 0.159 nan 8.230 nan 0.000 0.437 112 S N 0.113 115.601 115.700 -0.353 0.000 2.356 112 S HA -0.143 4.326 4.470 -0.000 0.000 0.223 112 S C 1.712 176.274 174.600 -0.063 0.000 1.032 112 S CA 1.374 59.594 58.200 0.033 0.000 1.005 112 S CB -0.252 63.024 63.200 0.126 0.000 0.867 112 S HN 0.452 nan 8.310 nan 0.000 0.449 113 N N 1.525 120.172 118.700 -0.088 0.000 2.354 113 N HA 0.126 4.866 4.740 -0.000 0.000 0.179 113 N C 1.740 176.877 175.510 -0.622 0.000 1.021 113 N CA 0.966 53.883 53.050 -0.223 0.000 0.887 113 N CB -0.535 37.924 38.487 -0.047 0.000 0.974 113 N HN 0.384 nan 8.380 nan 0.000 0.437 114 A N 1.216 123.742 122.820 -0.490 0.000 1.902 114 A HA -0.107 4.212 4.320 -0.000 0.000 0.217 114 A C 2.188 179.480 177.584 -0.486 0.000 1.181 114 A CA 0.978 52.567 52.037 -0.746 0.000 0.623 114 A CB -0.722 18.128 19.000 -0.251 0.000 0.818 114 A HN 0.226 nan 8.150 nan 0.000 0.443 115 L N 0.149 121.235 121.223 -0.228 0.000 2.012 115 L HA -0.169 4.170 4.340 -0.000 0.000 0.210 115 L C 2.473 179.271 176.870 -0.121 0.000 1.073 115 L CA 2.585 57.371 54.840 -0.090 0.000 0.748 115 L CB -0.696 41.379 42.059 0.026 0.000 0.891 115 L HN 0.511 nan 8.230 nan 0.000 0.431 116 R N -1.704 118.692 120.500 -0.172 0.000 2.070 116 R HA -0.242 4.097 4.340 -0.000 0.000 0.233 116 R C 2.408 178.609 176.300 -0.166 0.000 1.137 116 R CA 1.995 58.014 56.100 -0.136 0.000 0.945 116 R CB -0.573 29.653 30.300 -0.123 0.000 0.845 116 R HN 0.546 nan 8.270 nan 0.000 0.430 117 H N 0.138 118.913 119.070 -0.493 0.000 2.395 117 H HA 0.039 4.595 4.556 -0.001 0.000 0.299 117 H C 2.066 177.178 175.328 -0.361 0.000 1.070 117 H CA 1.774 57.521 56.048 -0.502 0.000 1.356 117 H CB 0.013 29.209 29.762 -0.943 0.000 1.401 117 H HN 0.142 nan 8.280 nan 0.000 0.524 118 L N -0.971 120.072 121.223 -0.299 0.000 2.056 118 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 118 L C 2.407 179.228 176.870 -0.082 0.000 1.078 118 L CA 1.604 56.352 54.840 -0.152 0.000 0.749 118 L CB -0.549 41.442 42.059 -0.113 0.000 0.901 118 L HN 0.405 nan 8.230 nan 0.000 0.433 119 H N 0.441 119.429 119.070 -0.137 0.000 2.319 119 H HA -0.218 4.338 4.556 -0.000 0.000 0.297 119 H C 1.645 176.909 175.328 -0.106 0.000 1.097 119 H CA 2.157 58.149 56.048 -0.093 0.000 1.285 119 H CB 0.044 29.760 29.762 -0.077 0.000 1.368 119 H HN 0.223 nan 8.280 nan 0.000 0.495 120 D N -0.577 119.744 120.400 -0.131 0.000 2.347 120 D HA -0.010 4.630 4.640 -0.000 0.000 0.215 120 D C -0.260 175.913 176.300 -0.212 0.000 0.976 120 D CA 0.590 54.476 54.000 -0.189 0.000 0.884 120 D CB -0.089 40.615 40.800 -0.161 0.000 0.915 120 D HN 0.465 nan 8.370 nan 0.000 0.526 121 N N -0.147 118.432 118.700 -0.203 0.000 2.727 121 N HA 0.177 4.916 4.740 -0.000 0.000 0.252 121 N C -2.242 173.231 175.510 -0.062 0.000 1.283 121 N CA -0.994 51.976 53.050 -0.133 0.000 0.782 121 N CB 2.241 40.631 38.487 -0.162 0.000 1.199 121 N HN -0.203 nan 8.380 nan 0.000 0.520 122 P HA -0.133 nan 4.420 nan 0.000 0.222 122 P C 0.709 178.026 177.300 0.028 0.000 1.147 122 P CA 1.082 64.165 63.100 -0.028 0.000 0.790 122 P CB 0.418 32.097 31.700 -0.035 0.000 0.780 123 E N -1.609 118.639 120.200 0.080 0.000 2.478 123 E HA 0.060 4.410 4.350 -0.000 0.000 0.194 123 E C 0.817 177.552 176.600 0.225 0.000 1.045 123 E CA 0.058 56.553 56.400 0.158 0.000 0.868 123 E CB -0.333 29.492 29.700 0.209 0.000 0.885 123 E HN 0.255 nan 8.360 nan 0.000 0.505 124 M N 1.424 121.093 119.600 0.115 0.000 2.240 124 M HA 0.108 4.587 4.480 -0.000 0.000 0.333 124 M C -0.280 175.999 176.300 -0.036 0.000 1.110 124 M CA 0.249 55.512 55.300 -0.062 0.000 1.173 124 M CB 0.513 33.075 32.600 -0.063 0.000 1.458 124 M HN -0.354 nan 8.290 nan 0.000 0.458 125 K N 2.775 123.111 120.400 -0.107 0.000 2.433 125 K HA 0.648 4.968 4.320 -0.000 0.000 0.252 125 K C -1.772 174.858 176.600 0.050 0.000 1.015 125 K CA -0.523 55.765 56.287 0.002 0.000 0.860 125 K CB 2.253 34.779 32.500 0.043 0.000 1.359 125 K HN 0.662 nan 8.250 nan 0.000 0.452 126 F N 1.520 121.379 119.950 -0.151 0.000 2.654 126 F HA 0.410 4.937 4.527 -0.000 0.000 0.314 126 F C -1.410 174.278 175.800 -0.187 0.000 1.116 126 F CA -1.225 56.670 58.000 -0.175 0.000 1.017 126 F CB 0.979 39.954 39.000 -0.041 0.000 1.285 126 F HN 0.451 nan 8.300 nan 0.000 0.448 127 I N 1.862 122.072 120.570 -0.600 0.000 2.648 127 I HA 0.615 4.785 4.170 -0.000 0.000 0.304 127 I C -1.669 174.015 176.117 -0.721 0.000 1.009 127 I CA -0.607 60.316 61.300 -0.628 0.000 1.114 127 I CB 2.510 40.084 38.000 -0.710 0.000 1.293 127 I HN 0.699 nan 8.210 nan 0.000 0.449 128 W N 4.390 125.292 121.300 -0.663 0.000 2.957 128 W HA 0.624 5.283 4.660 -0.000 0.000 0.336 128 W C -0.781 175.655 176.519 -0.139 0.000 1.087 128 W CA -0.545 56.544 57.345 -0.427 0.000 1.235 128 W CB 2.650 31.905 29.460 -0.342 0.000 1.399 128 W HN 0.788 nan 8.180 nan 0.000 0.480 129 A N 3.484 125.935 122.820 -0.614 0.000 2.013 129 A HA 0.163 4.483 4.320 -0.000 0.000 0.204 129 A C -0.027 177.504 177.584 -0.087 0.000 1.262 129 A CA 0.519 52.435 52.037 -0.201 0.000 0.800 129 A CB 0.038 18.971 19.000 -0.112 0.000 0.909 129 A HN 0.492 nan 8.150 nan 0.000 0.472 130 E N 1.009 121.048 120.200 -0.269 0.000 2.014 130 E HA 0.317 4.667 4.350 -0.000 0.000 0.275 130 E C 0.430 177.194 176.600 0.274 0.000 0.997 130 E CA -0.291 56.126 56.400 0.028 0.000 0.804 130 E CB 0.758 30.465 29.700 0.012 0.000 1.090 130 E HN 0.272 nan 8.360 nan 0.000 0.401 131 I N 1.433 122.064 120.570 0.103 0.000 2.676 131 I HA -0.195 3.975 4.170 -0.000 0.000 0.259 131 I C 1.947 177.720 176.117 -0.572 0.000 1.194 131 I CA 0.899 62.183 61.300 -0.026 0.000 1.473 131 I CB -1.385 36.650 38.000 0.058 0.000 1.096 131 I HN 0.404 nan 8.210 nan 0.000 0.443 132 S N 1.137 116.199 115.700 -1.063 0.000 2.365 132 S HA -0.265 4.204 4.470 -0.000 0.000 0.225 132 S C 2.143 176.462 174.600 -0.468 0.000 1.039 132 S CA 1.290 58.499 58.200 -1.653 0.000 1.033 132 S CB -1.021 61.239 63.200 -1.567 0.000 0.887 132 S HN 0.360 nan 8.310 nan 0.000 0.447 133 Y N 0.642 120.976 120.300 0.057 0.000 2.200 133 Y HA 0.126 4.675 4.550 -0.001 0.000 0.290 133 Y C 2.231 178.202 175.900 0.118 0.000 1.137 133 Y CA 0.438 58.667 58.100 0.216 0.000 1.163 133 Y CB -0.944 37.739 38.460 0.371 0.000 0.988 133 Y HN 0.336 nan 8.280 nan 0.000 0.518 134 F N 0.006 120.042 119.950 0.144 0.000 2.134 134 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 134 F C 2.333 177.975 175.800 -0.263 0.000 1.097 134 F CA 1.274 59.230 58.000 -0.072 0.000 1.264 134 F CB -0.424 38.523 39.000 -0.089 0.000 1.001 134 F HN -0.017 nan 8.300 nan 0.000 0.479 135 A N 0.161 122.650 122.820 -0.552 0.000 1.930 135 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 135 A C 2.138 179.642 177.584 -0.132 0.000 1.175 135 A CA 1.681 53.259 52.037 -0.766 0.000 0.627 135 A CB -0.746 17.646 19.000 -1.014 0.000 0.815 135 A HN 0.388 nan 8.150 nan 0.000 0.443 136 R N -0.991 119.457 120.500 -0.087 0.000 2.091 136 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 136 R C 1.729 177.981 176.300 -0.079 0.000 1.136 136 R CA 2.099 58.151 56.100 -0.079 0.000 0.959 136 R CB -0.826 29.372 30.300 -0.170 0.000 0.856 136 R HN 0.502 nan 8.270 nan 0.000 0.437 137 F N -0.495 119.379 119.950 -0.126 0.000 2.098 137 F HA -0.099 4.428 4.527 -0.000 0.000 0.294 137 F C 1.944 177.675 175.800 -0.115 0.000 1.107 137 F CA 1.530 59.512 58.000 -0.030 0.000 1.234 137 F CB -0.767 38.148 39.000 -0.141 0.000 1.002 137 F HN 0.115 nan 8.300 nan 0.000 0.472 138 Y N 0.161 120.244 120.300 -0.362 0.000 2.224 138 Y HA -0.234 4.316 4.550 -0.000 0.000 0.289 138 Y C 2.611 178.318 175.900 -0.322 0.000 1.146 138 Y CA 2.134 60.000 58.100 -0.390 0.000 1.182 138 Y CB -0.718 37.649 38.460 -0.155 0.000 0.983 138 Y HN 0.140 nan 8.280 nan 0.000 0.524 139 H N -0.831 118.226 119.070 -0.021 0.000 2.524 139 H HA -0.052 4.504 4.556 -0.000 0.000 0.282 139 H C 0.889 176.106 175.328 -0.184 0.000 1.016 139 H CA 1.347 57.344 56.048 -0.085 0.000 1.270 139 H CB -0.005 29.773 29.762 0.026 0.000 1.394 139 H HN 0.441 nan 8.280 nan 0.000 0.568 140 D N 0.036 120.345 120.400 -0.153 0.000 2.339 140 D HA 0.076 4.716 4.640 -0.000 0.000 0.217 140 D C 0.552 176.676 176.300 -0.293 0.000 1.050 140 D CA 0.052 53.948 54.000 -0.173 0.000 0.856 140 D CB 0.353 41.086 40.800 -0.112 0.000 0.922 140 D HN 0.193 nan 8.370 nan 0.000 0.518 141 L N 0.652 121.601 121.223 -0.456 0.000 2.397 141 L HA 0.314 4.654 4.340 -0.000 0.000 0.271 141 L C 1.377 178.062 176.870 -0.310 0.000 1.148 141 L CA -0.607 53.962 54.840 -0.452 0.000 0.825 141 L CB 0.938 42.647 42.059 -0.584 0.000 1.117 141 L HN -0.020 nan 8.230 nan 0.000 0.456 142 G N 0.968 109.635 108.800 -0.221 0.000 2.594 142 G HA2 0.003 3.962 3.960 -0.000 0.000 0.243 142 G HA3 0.003 3.962 3.960 -0.000 0.000 0.243 142 G C 0.691 175.496 174.900 -0.159 0.000 1.229 142 G CA -0.278 44.730 45.100 -0.154 0.000 0.843 142 G HN 0.816 nan 8.290 nan 0.000 0.578 143 E N 0.325 120.460 120.200 -0.109 0.000 2.118 143 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 143 E C 2.229 178.791 176.600 -0.063 0.000 0.992 143 E CA 1.789 58.141 56.400 -0.081 0.000 0.804 143 E CB -0.195 29.482 29.700 -0.039 0.000 0.741 143 E HN 0.659 nan 8.360 nan 0.000 0.458 144 N N -0.011 118.653 118.700 -0.061 0.000 2.104 144 N HA -0.222 4.517 4.740 -0.000 0.000 0.190 144 N C 1.395 176.869 175.510 -0.059 0.000 1.024 144 N CA 1.365 54.385 53.050 -0.050 0.000 0.853 144 N CB -0.046 38.409 38.487 -0.053 0.000 1.008 144 N HN 0.027 nan 8.380 nan 0.000 0.424 145 K N 1.006 121.355 120.400 -0.085 0.000 2.167 145 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 145 K C 2.057 178.630 176.600 -0.045 0.000 1.052 145 K CA 0.561 56.800 56.287 -0.080 0.000 0.956 145 K CB -0.148 32.285 32.500 -0.113 0.000 0.735 145 K HN 0.351 nan 8.250 nan 0.000 0.451 146 K N 0.858 121.195 120.400 -0.106 0.000 2.063 146 K HA -0.056 4.264 4.320 -0.000 0.000 0.208 146 K C 2.238 178.921 176.600 0.139 0.000 1.048 146 K CA 1.008 57.268 56.287 -0.044 0.000 0.928 146 K CB -0.173 32.191 32.500 -0.225 0.000 0.713 146 K HN 0.042 nan 8.250 nan 0.000 0.442 147 L N 1.067 122.333 121.223 0.072 0.000 2.056 147 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 147 L C 2.514 179.444 176.870 0.099 0.000 1.078 147 L CA 1.300 56.196 54.840 0.092 0.000 0.749 147 L CB -0.391 41.698 42.059 0.051 0.000 0.901 147 L HN 0.264 nan 8.230 nan 0.000 0.433 148 Q N -0.899 118.938 119.800 0.062 0.000 2.119 148 Q HA -0.249 4.090 4.340 -0.000 0.000 0.201 148 Q C 2.165 178.244 176.000 0.132 0.000 0.972 148 Q CA 1.486 57.327 55.803 0.064 0.000 0.847 148 Q CB -0.198 28.509 28.738 -0.052 0.000 0.903 148 Q HN 0.369 nan 8.270 nan 0.000 0.433 149 M N 1.341 121.051 119.600 0.183 0.000 2.086 149 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 149 M C 1.631 178.103 176.300 0.286 0.000 1.067 149 M CA 1.765 57.237 55.300 0.287 0.000 1.116 149 M CB 0.026 32.892 32.600 0.443 0.000 1.348 149 M HN -0.101 nan 8.290 nan 0.000 0.407 150 K N -1.051 119.515 120.400 0.278 0.000 2.103 150 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 150 K C 2.275 178.969 176.600 0.156 0.000 1.048 150 K CA 1.581 58.001 56.287 0.223 0.000 0.930 150 K CB -0.436 32.180 32.500 0.193 0.000 0.716 150 K HN 0.412 nan 8.250 nan 0.000 0.444 151 S N 1.480 117.263 115.700 0.139 0.000 2.383 151 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 151 S C 1.930 176.588 174.600 0.097 0.000 1.026 151 S CA 0.942 59.206 58.200 0.107 0.000 0.981 151 S CB -0.225 63.039 63.200 0.107 0.000 0.818 151 S HN 0.389 nan 8.310 nan 0.000 0.472 152 I N -0.892 119.746 120.570 0.114 0.000 2.830 152 I HA 0.064 4.233 4.170 -0.000 0.000 0.263 152 I C 1.802 177.954 176.117 0.059 0.000 1.230 152 I CA 0.609 61.957 61.300 0.080 0.000 1.480 152 I CB -0.322 37.726 38.000 0.081 0.000 1.095 152 I HN 0.088 nan 8.210 nan 0.000 0.455 153 V N 1.503 121.470 119.914 0.088 0.000 2.346 153 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 153 V C 2.689 178.819 176.094 0.059 0.000 1.037 153 V CA 1.897 64.239 62.300 0.069 0.000 1.029 153 V CB -0.684 31.241 31.823 0.170 0.000 0.663 153 V HN 0.423 nan 8.190 nan 0.000 0.454 154 K N 1.482 121.924 120.400 0.070 0.000 2.097 154 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 154 K C 1.707 178.324 176.600 0.029 0.000 1.049 154 K CA 1.822 58.138 56.287 0.048 0.000 0.933 154 K CB -0.189 32.341 32.500 0.050 0.000 0.717 154 K HN 0.674 nan 8.250 nan 0.000 0.442 155 N N -0.628 118.089 118.700 0.029 0.000 2.398 155 N HA 0.007 4.747 4.740 -0.000 0.000 0.188 155 N C 0.838 176.352 175.510 0.007 0.000 1.122 155 N CA 0.999 54.059 53.050 0.016 0.000 0.866 155 N CB 0.414 38.911 38.487 0.016 0.000 0.970 155 N HN 0.311 nan 8.380 nan 0.000 0.462 156 G N -0.218 108.582 108.800 0.001 0.000 2.159 156 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.256 156 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.256 156 G C 0.795 175.682 174.900 -0.022 0.000 0.977 156 G CA 0.497 45.586 45.100 -0.017 0.000 0.652 156 G HN 0.459 nan 8.290 nan 0.000 0.531 157 Q N -1.310 118.485 119.800 -0.009 0.000 2.083 157 Q HA 0.207 4.547 4.340 -0.000 0.000 0.198 157 Q C 1.179 177.171 176.000 -0.013 0.000 0.969 157 Q CA 1.040 56.842 55.803 -0.002 0.000 0.838 157 Q CB 0.190 28.932 28.738 0.008 0.000 0.900 157 Q HN 0.572 nan 8.270 nan 0.000 0.436 158 L N 1.193 122.390 121.223 -0.044 0.000 2.272 158 L HA 0.293 4.633 4.340 -0.000 0.000 0.289 158 L C -0.960 175.738 176.870 -0.287 0.000 1.032 158 L CA -0.076 54.688 54.840 -0.127 0.000 0.810 158 L CB 1.471 43.466 42.059 -0.106 0.000 1.205 158 L HN -0.074 nan 8.230 nan 0.000 0.422 159 E N 4.275 124.263 120.200 -0.353 0.000 2.199 159 E HA 0.353 4.703 4.350 -0.000 0.000 0.265 159 E C -1.454 174.878 176.600 -0.447 0.000 0.882 159 E CA -0.732 55.469 56.400 -0.332 0.000 0.759 159 E CB 0.966 30.549 29.700 -0.195 0.000 1.148 159 E HN 0.493 nan 8.360 nan 0.000 0.412 160 F N 3.189 123.091 119.950 -0.080 0.000 2.443 160 F HA 0.207 4.734 4.527 -0.000 0.000 0.353 160 F C 0.331 176.100 175.800 -0.051 0.000 1.101 160 F CA -0.437 57.530 58.000 -0.056 0.000 1.226 160 F CB 1.150 40.128 39.000 -0.037 0.000 1.140 160 F HN 0.185 nan 8.300 nan 0.000 0.557 161 V N -0.039 119.939 119.914 0.107 0.000 2.495 161 V HA 0.638 4.758 4.120 -0.000 0.000 0.298 161 V C 0.245 176.471 176.094 0.219 0.000 1.031 161 V CA -0.513 61.849 62.300 0.103 0.000 0.871 161 V CB 0.936 32.716 31.823 -0.072 0.000 0.988 161 V HN 0.976 nan 8.190 nan 0.000 0.432 162 T N 3.090 117.847 114.554 0.337 0.000 12.763 162 T HA -0.319 4.031 4.350 -0.000 0.000 0.419 162 T C 1.756 176.684 174.700 0.381 0.000 1.443 162 T CA 2.890 65.237 62.100 0.411 0.000 2.376 162 T CB -1.696 67.315 68.868 0.238 0.000 2.832 162 T HN 2.800 nan 8.240 nan 0.000 0.739 163 G N 2.077 111.040 108.800 0.273 0.000 2.147 163 G HA2 0.099 4.059 3.960 -0.000 0.000 0.244 163 G HA3 0.099 4.059 3.960 -0.000 0.000 0.244 163 G C 0.324 175.368 174.900 0.239 0.000 1.005 163 G CA 0.591 45.828 45.100 0.228 0.000 0.713 163 G HN 1.573 nan 8.290 nan 0.000 0.515 164 G N -1.662 107.279 108.800 0.234 0.000 2.606 164 G HA2 0.340 4.300 3.960 -0.000 0.000 0.252 164 G HA3 0.340 4.300 3.960 -0.000 0.000 0.252 164 G C 0.999 176.079 174.900 0.301 0.000 1.206 164 G CA 0.183 45.433 45.100 0.251 0.000 0.861 164 G HN 0.355 nan 8.290 nan 0.000 0.561 165 W N 0.393 121.742 121.300 0.082 0.000 2.342 165 W HA -0.040 4.620 4.660 -0.001 0.000 0.297 165 W C 0.723 177.279 176.519 0.061 0.000 1.213 165 W CA 1.863 59.242 57.345 0.057 0.000 1.251 165 W CB 0.242 29.719 29.460 0.028 0.000 1.136 165 W HN 0.407 nan 8.180 nan 0.000 0.526 166 V N -2.770 117.271 119.914 0.213 0.000 3.105 166 V HA 0.493 4.613 4.120 -0.000 0.000 0.311 166 V C -0.426 175.761 176.094 0.154 0.000 1.287 166 V CA -1.284 61.087 62.300 0.119 0.000 1.066 166 V CB 1.716 33.631 31.823 0.152 0.000 1.105 166 V HN -0.059 nan 8.190 nan 0.000 0.462 167 M N 3.930 123.649 119.600 0.199 0.000 2.152 167 M HA 0.510 4.990 4.480 -0.000 0.000 0.354 167 M C -2.693 173.767 176.300 0.266 0.000 1.173 167 M CA -1.866 53.565 55.300 0.219 0.000 1.110 167 M CB 1.337 34.087 32.600 0.251 0.000 1.366 167 M HN 0.630 nan 8.290 nan 0.000 0.415 168 P HA 0.133 nan 4.420 nan 0.000 0.277 168 P C -0.934 176.379 177.300 0.023 0.000 1.240 168 P CA -0.210 62.945 63.100 0.091 0.000 0.798 168 P CB 0.569 32.310 31.700 0.069 0.000 0.979 169 D N 0.761 121.136 120.400 -0.042 0.000 2.515 169 D HA -0.102 4.538 4.640 -0.000 0.000 0.232 169 D C 0.701 177.017 176.300 0.028 0.000 1.157 169 D CA 0.823 54.783 54.000 -0.066 0.000 0.871 169 D CB 0.439 41.210 40.800 -0.048 0.000 1.200 169 D HN 0.316 nan 8.370 nan 0.000 0.466 170 E N 1.397 121.660 120.200 0.104 0.000 2.511 170 E HA 0.188 4.538 4.350 -0.000 0.000 0.209 170 E C 0.906 177.691 176.600 0.309 0.000 0.986 170 E CA 0.059 56.585 56.400 0.211 0.000 0.974 170 E CB 0.662 30.500 29.700 0.231 0.000 1.030 170 E HN 0.473 nan 8.360 nan 0.000 0.490 171 A N 1.450 124.407 122.820 0.229 0.000 1.901 171 A HA 0.019 4.339 4.320 -0.000 0.000 0.210 171 A C 1.817 179.298 177.584 -0.172 0.000 1.208 171 A CA 0.601 52.540 52.037 -0.164 0.000 0.644 171 A CB 0.037 18.921 19.000 -0.194 0.000 0.863 171 A HN 0.033 nan 8.150 nan 0.000 0.454 172 N N 0.628 119.317 118.700 -0.018 0.000 2.388 172 N HA 0.010 4.749 4.740 -0.000 0.000 0.176 172 N C 0.497 176.002 175.510 -0.009 0.000 1.062 172 N CA 0.762 53.794 53.050 -0.029 0.000 0.895 172 N CB 0.046 38.560 38.487 0.045 0.000 1.018 172 N HN 0.499 nan 8.380 nan 0.000 0.456 173 S N 0.829 116.534 115.700 0.009 0.000 2.562 173 S HA 0.025 4.494 4.470 -0.000 0.000 0.281 173 S C 0.029 174.645 174.600 0.026 0.000 1.333 173 S CA -0.546 57.669 58.200 0.026 0.000 1.052 173 S CB 1.088 64.306 63.200 0.030 0.000 0.884 173 S HN 0.210 nan 8.310 nan 0.000 0.506 174 H N 3.408 122.458 119.070 -0.034 0.000 2.582 174 H HA 0.052 4.608 4.556 -0.000 0.000 0.345 174 H C 1.246 176.544 175.328 -0.050 0.000 1.104 174 H CA -0.301 55.711 56.048 -0.060 0.000 1.390 174 H CB 0.550 30.227 29.762 -0.142 0.000 1.461 174 H HN 1.028 nan 8.280 nan 0.000 0.551 175 W N 5.752 126.946 121.300 -0.176 0.000 2.350 175 W HA -0.162 4.498 4.660 -0.000 0.000 0.289 175 W C 1.051 177.636 176.519 0.108 0.000 1.215 175 W CA 0.383 57.703 57.345 -0.042 0.000 1.236 175 W CB -0.462 28.910 29.460 -0.146 0.000 1.130 175 W HN 0.530 nan 8.180 nan 0.000 0.541 176 R N 0.759 120.870 120.500 -0.649 0.000 2.120 176 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 176 R C 1.996 178.132 176.300 -0.273 0.000 1.123 176 R CA 1.811 57.445 56.100 -0.777 0.000 0.975 176 R CB -0.380 29.418 30.300 -0.836 0.000 0.866 176 R HN 0.145 nan 8.270 nan 0.000 0.446 177 N N -0.197 118.427 118.700 -0.127 0.000 2.376 177 N HA -0.053 4.687 4.740 -0.000 0.000 0.177 177 N C 1.732 177.247 175.510 0.009 0.000 1.024 177 N CA 0.673 53.691 53.050 -0.053 0.000 0.893 177 N CB 0.012 38.487 38.487 -0.019 0.000 0.980 177 N HN -0.009 nan 8.380 nan 0.000 0.439 178 V N 1.523 121.466 119.914 0.047 0.000 2.287 178 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 178 V C 2.352 178.492 176.094 0.077 0.000 1.053 178 V CA 1.176 63.523 62.300 0.077 0.000 1.027 178 V CB -0.527 31.360 31.823 0.107 0.000 0.646 178 V HN 0.197 nan 8.190 nan 0.000 0.447 179 L N -0.352 120.927 121.223 0.093 0.000 2.083 179 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 179 L C 2.169 179.053 176.870 0.024 0.000 1.083 179 L CA 1.775 56.663 54.840 0.080 0.000 0.752 179 L CB -0.689 41.452 42.059 0.135 0.000 0.899 179 L HN 0.288 nan 8.230 nan 0.000 0.433 180 L N -0.109 121.106 121.223 -0.013 0.000 2.012 180 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 180 L C 2.583 179.446 176.870 -0.012 0.000 1.073 180 L CA 2.326 57.147 54.840 -0.031 0.000 0.748 180 L CB -0.744 41.277 42.059 -0.063 0.000 0.891 180 L HN 0.672 nan 8.230 nan 0.000 0.431 181 Q N -0.982 118.833 119.800 0.026 0.000 2.123 181 Q HA -0.193 4.146 4.340 -0.000 0.000 0.199 181 Q C 2.033 178.118 176.000 0.142 0.000 0.966 181 Q CA 2.022 57.874 55.803 0.082 0.000 0.845 181 Q CB -1.181 27.642 28.738 0.142 0.000 0.907 181 Q HN 0.464 nan 8.270 nan 0.000 0.439 182 L N 0.878 122.171 121.223 0.116 0.000 2.046 182 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 182 L C 1.930 178.883 176.870 0.139 0.000 1.077 182 L CA 2.481 57.403 54.840 0.137 0.000 0.747 182 L CB -1.010 41.108 42.059 0.097 0.000 0.896 182 L HN 0.343 nan 8.230 nan 0.000 0.432 183 T N -1.040 113.564 114.554 0.082 0.000 2.821 183 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 183 T C 1.717 176.471 174.700 0.090 0.000 1.046 183 T CA 1.384 63.526 62.100 0.071 0.000 1.139 183 T CB -0.151 68.730 68.868 0.022 0.000 0.871 183 T HN 0.343 nan 8.240 nan 0.000 0.454 184 E N 1.051 121.277 120.200 0.043 0.000 2.051 184 E HA -0.038 4.311 4.350 -0.000 0.000 0.192 184 E C 2.352 179.071 176.600 0.199 0.000 0.991 184 E CA 1.537 57.915 56.400 -0.037 0.000 0.799 184 E CB -0.856 28.631 29.700 -0.355 0.000 0.748 184 E HN 0.438 nan 8.360 nan 0.000 0.449 185 G N -0.110 108.909 108.800 0.364 0.000 2.402 185 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 185 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 185 G C 1.496 176.617 174.900 0.369 0.000 1.162 185 G CA 0.665 46.071 45.100 0.510 0.000 0.777 185 G HN 0.262 nan 8.290 nan 0.000 0.539 186 Q N -0.192 119.761 119.800 0.254 0.000 2.172 186 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 186 Q C 2.773 178.871 176.000 0.163 0.000 0.964 186 Q CA 1.348 57.261 55.803 0.183 0.000 0.855 186 Q CB -0.153 28.674 28.738 0.149 0.000 0.918 186 Q HN 0.407 nan 8.270 nan 0.000 0.444 187 T N 0.166 114.828 114.554 0.180 0.000 2.821 187 T HA -0.179 4.170 4.350 -0.000 0.000 0.267 187 T C 1.081 175.883 174.700 0.169 0.000 1.046 187 T CA 0.982 63.163 62.100 0.136 0.000 1.139 187 T CB -0.344 68.600 68.868 0.127 0.000 0.871 187 T HN 0.466 nan 8.240 nan 0.000 0.454 188 W N 1.607 123.005 121.300 0.164 0.000 2.333 188 W HA -0.073 4.586 4.660 -0.001 0.000 0.316 188 W C 1.805 178.441 176.519 0.194 0.000 1.215 188 W CA 1.003 58.527 57.345 0.298 0.000 1.278 188 W CB -0.434 29.280 29.460 0.424 0.000 1.154 188 W HN 0.140 nan 8.180 nan 0.000 0.486 189 L N 0.573 122.015 121.223 0.365 0.000 2.083 189 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 189 L C 2.583 179.382 176.870 -0.119 0.000 1.083 189 L CA 1.843 56.716 54.840 0.055 0.000 0.752 189 L CB -0.923 41.103 42.059 -0.055 0.000 0.899 189 L HN 0.000 nan 8.230 nan 0.000 0.433 190 K N 0.055 120.407 120.400 -0.080 0.000 2.057 190 K HA -0.261 4.059 4.320 -0.000 0.000 0.206 190 K C 2.193 178.650 176.600 -0.238 0.000 1.050 190 K CA 1.565 57.778 56.287 -0.123 0.000 0.935 190 K CB -0.020 32.435 32.500 -0.074 0.000 0.715 190 K HN 0.240 nan 8.250 nan 0.000 0.439 191 Q N -0.820 118.760 119.800 -0.367 0.000 2.050 191 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 191 Q C 1.402 176.886 176.000 -0.860 0.000 0.980 191 Q CA 1.875 57.282 55.803 -0.660 0.000 0.840 191 Q CB 0.031 28.209 28.738 -0.934 0.000 0.898 191 Q HN 0.321 nan 8.270 nan 0.000 0.424 192 F N -1.599 117.980 119.950 -0.618 0.000 2.622 192 F HA 0.139 4.666 4.527 -0.000 0.000 0.288 192 F C 1.548 177.053 175.800 -0.490 0.000 1.120 192 F CA 0.202 57.780 58.000 -0.705 0.000 1.423 192 F CB 0.439 38.557 39.000 -1.471 0.000 1.127 192 F HN 0.100 nan 8.300 nan 0.000 0.588 193 M N -0.969 118.473 119.600 -0.264 0.000 2.313 193 M HA 0.242 4.722 4.480 -0.000 0.000 0.273 193 M C 0.255 176.525 176.300 -0.050 0.000 1.049 193 M CA 0.131 55.378 55.300 -0.089 0.000 1.004 193 M CB -1.093 31.483 32.600 -0.041 0.000 1.461 193 M HN 0.089 nan 8.290 nan 0.000 0.514 194 N N 1.943 120.582 118.700 -0.102 0.000 2.740 194 N HA -0.131 4.609 4.740 -0.000 0.000 0.248 194 N C -0.950 174.538 175.510 -0.036 0.000 1.062 194 N CA 0.737 53.744 53.050 -0.071 0.000 0.704 194 N CB -0.934 37.524 38.487 -0.048 0.000 0.968 194 N HN 0.389 nan 8.380 nan 0.000 0.547 195 V N -3.914 115.979 119.914 -0.036 0.000 3.049 195 V HA 0.883 5.003 4.120 -0.000 0.000 0.309 195 V C 0.035 176.112 176.094 -0.029 0.000 1.148 195 V CA -0.473 61.822 62.300 -0.009 0.000 0.990 195 V CB 2.382 34.243 31.823 0.063 0.000 1.039 195 V HN 0.053 nan 8.190 nan 0.000 0.430 196 T N 3.793 118.321 114.554 -0.043 0.000 2.930 196 T HA 0.571 4.921 4.350 -0.000 0.000 0.313 196 T C -2.748 171.870 174.700 -0.137 0.000 1.019 196 T CA -0.740 61.316 62.100 -0.073 0.000 1.004 196 T CB 1.329 70.145 68.868 -0.087 0.000 0.987 196 T HN 0.767 nan 8.240 nan 0.000 0.456 197 P HA 0.183 nan 4.420 nan 0.000 0.267 197 P C 0.841 177.764 177.300 -0.629 0.000 1.200 197 P CA -0.176 62.807 63.100 -0.194 0.000 0.772 197 P CB 0.545 32.241 31.700 -0.006 0.000 0.855 198 T N -1.949 112.283 114.554 -0.538 0.000 3.043 198 T HA 0.542 4.892 4.350 -0.000 0.000 0.272 198 T C 0.329 174.851 174.700 -0.297 0.000 0.990 198 T CA -0.280 61.384 62.100 -0.727 0.000 0.897 198 T CB 0.128 68.777 68.868 -0.365 0.000 1.111 198 T HN 0.415 nan 8.240 nan 0.000 0.529 199 A N 0.888 123.691 122.820 -0.029 0.000 2.342 199 A HA 0.807 5.127 4.320 -0.000 0.000 0.323 199 A C -0.160 177.695 177.584 0.451 0.000 1.125 199 A CA -0.701 51.468 52.037 0.221 0.000 0.785 199 A CB 1.809 20.950 19.000 0.236 0.000 1.221 199 A HN 0.266 nan 8.150 nan 0.000 0.463 200 S N 2.067 118.018 115.700 0.418 0.000 2.549 200 S HA 0.666 5.136 4.470 -0.000 0.000 0.297 200 S C -1.129 173.658 174.600 0.312 0.000 1.115 200 S CA -0.433 57.951 58.200 0.307 0.000 1.059 200 S CB 0.761 63.966 63.200 0.008 0.000 1.046 200 S HN 0.804 nan 8.310 nan 0.000 0.506 201 W N 4.697 126.014 121.300 0.028 0.000 2.463 201 W HA 0.632 5.292 4.660 -0.001 0.000 0.316 201 W C -1.415 175.052 176.519 -0.087 0.000 1.004 201 W CA -0.842 56.472 57.345 -0.053 0.000 1.309 201 W CB 1.107 30.508 29.460 -0.098 0.000 1.288 201 W HN 0.786 nan 8.180 nan 0.000 0.423 202 A N 7.863 130.518 122.820 -0.276 0.000 2.842 202 A HA 0.275 4.595 4.320 -0.000 0.000 0.339 202 A C 0.373 177.706 177.584 -0.419 0.000 1.177 202 A CA -0.476 51.415 52.037 -0.244 0.000 0.797 202 A CB -0.379 18.598 19.000 -0.039 0.000 1.094 202 A HN 0.702 nan 8.150 nan 0.000 0.474 203 I N -2.729 117.407 120.570 -0.723 0.000 3.419 203 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 203 I C 0.826 176.622 176.117 -0.535 0.000 1.268 203 I CA 0.947 61.779 61.300 -0.781 0.000 1.414 203 I CB 0.351 37.608 38.000 -1.238 0.000 1.074 203 I HN 0.316 nan 8.210 nan 0.000 0.457 204 D N 0.251 120.298 120.400 -0.588 0.000 2.489 204 D HA 0.249 4.888 4.640 -0.000 0.000 0.231 204 D C -2.190 173.674 176.300 -0.727 0.000 1.114 204 D CA -0.733 52.913 54.000 -0.591 0.000 0.842 204 D CB 0.094 40.443 40.800 -0.752 0.000 1.133 204 D HN 0.186 nan 8.370 nan 0.000 0.506 205 P HA 0.046 nan 4.420 nan 0.000 0.267 205 P C -0.470 176.380 177.300 -0.749 0.000 1.200 205 P CA 0.025 62.610 63.100 -0.859 0.000 0.772 205 P CB 0.184 31.549 31.700 -0.558 0.000 0.855 206 F N 2.195 121.915 119.950 -0.383 0.000 2.626 206 F HA 0.522 5.049 4.527 -0.001 0.000 0.353 206 F C 1.451 177.194 175.800 -0.094 0.000 1.230 206 F CA -0.535 57.208 58.000 -0.428 0.000 1.298 206 F CB -1.190 37.689 39.000 -0.201 0.000 1.670 206 F HN 0.496 nan 8.300 nan 0.000 0.633 207 G N 1.112 109.663 108.800 -0.415 0.000 2.629 207 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.686 207 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.686 207 G C -1.485 173.028 174.900 -0.644 0.000 1.232 207 G CA -1.167 43.765 45.100 -0.280 0.000 0.803 207 G HN 0.568 nan 8.290 nan 0.000 0.638 208 H N -0.512 118.250 119.070 -0.514 0.000 2.717 208 H HA 0.747 5.303 4.556 -0.000 0.000 0.366 208 H C -0.360 174.862 175.328 -0.176 0.000 1.132 208 H CA 0.027 55.968 56.048 -0.179 0.000 1.180 208 H CB 2.060 31.876 29.762 0.090 0.000 1.678 208 H HN 0.671 nan 8.280 nan 0.000 0.537 209 S N 2.367 118.216 115.700 0.247 0.000 2.501 209 S HA 0.258 4.727 4.470 -0.000 0.000 0.301 209 S C -1.766 172.880 174.600 0.076 0.000 1.096 209 S CA -1.792 56.569 58.200 0.267 0.000 1.063 209 S CB 1.286 64.679 63.200 0.322 0.000 1.042 209 S HN 0.450 nan 8.310 nan 0.000 0.494 210 P HA 0.016 nan 4.420 nan 0.000 0.234 210 P C 1.055 178.113 177.300 -0.403 0.000 1.167 210 P CA 0.737 63.470 63.100 -0.611 0.000 0.763 210 P CB -0.257 31.242 31.700 -0.335 0.000 0.835 211 T N -0.228 114.220 114.554 -0.178 0.000 2.881 211 T HA -0.083 4.267 4.350 -0.000 0.000 0.270 211 T C 1.821 176.474 174.700 -0.079 0.000 1.068 211 T CA 1.134 63.162 62.100 -0.120 0.000 1.131 211 T CB -0.386 68.449 68.868 -0.055 0.000 0.871 211 T HN -0.004 nan 8.240 nan 0.000 0.479 212 M N 1.070 120.586 119.600 -0.140 0.000 2.059 212 M HA -0.006 4.473 4.480 -0.000 0.000 0.259 212 M C -0.587 175.576 176.300 -0.229 0.000 1.072 212 M CA 1.321 56.534 55.300 -0.145 0.000 1.117 212 M CB -2.555 29.986 32.600 -0.097 0.000 1.320 212 M HN 0.130 nan 8.290 nan 0.000 0.408 213 P HA -0.200 nan 4.420 nan 0.000 0.218 213 P C 1.679 178.851 177.300 -0.214 0.000 1.149 213 P CA 1.433 64.336 63.100 -0.329 0.000 0.817 213 P CB -0.427 30.974 31.700 -0.499 0.000 0.785 214 Y N 1.103 121.215 120.300 -0.314 0.000 2.097 214 Y HA -0.201 4.349 4.550 -0.001 0.000 0.282 214 Y C 2.423 178.238 175.900 -0.141 0.000 1.152 214 Y CA 1.694 59.673 58.100 -0.201 0.000 1.136 214 Y CB -0.918 37.439 38.460 -0.171 0.000 0.975 214 Y HN -0.240 nan 8.280 nan 0.000 0.498 215 I N -0.419 120.178 120.570 0.045 0.000 2.252 215 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 215 I C 2.272 178.325 176.117 -0.107 0.000 1.102 215 I CA 1.177 62.470 61.300 -0.010 0.000 1.385 215 I CB -0.406 37.644 38.000 0.083 0.000 1.064 215 I HN 0.262 nan 8.210 nan 0.000 0.414 216 L N 0.087 121.195 121.223 -0.192 0.000 2.046 216 L HA -0.221 4.118 4.340 -0.000 0.000 0.208 216 L C 2.694 179.546 176.870 -0.030 0.000 1.077 216 L CA 1.182 55.841 54.840 -0.301 0.000 0.747 216 L CB -0.697 40.995 42.059 -0.613 0.000 0.896 216 L HN 0.348 nan 8.230 nan 0.000 0.432 217 Q N 1.123 120.873 119.800 -0.083 0.000 2.226 217 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 217 Q C 1.699 177.660 176.000 -0.065 0.000 0.975 217 Q CA 1.501 57.275 55.803 -0.049 0.000 0.866 217 Q CB 0.106 28.784 28.738 -0.100 0.000 0.915 217 Q HN 0.471 nan 8.270 nan 0.000 0.440 218 K N -0.475 119.849 120.400 -0.128 0.000 2.444 218 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 218 K C 0.703 177.270 176.600 -0.055 0.000 1.024 218 K CA 0.180 56.387 56.287 -0.133 0.000 1.077 218 K CB 0.495 32.847 32.500 -0.246 0.000 0.833 218 K HN -0.066 nan 8.250 nan 0.000 0.517 219 S N -0.222 115.499 115.700 0.036 0.000 2.754 219 S HA 0.209 4.679 4.470 -0.000 0.000 0.247 219 S C 0.769 175.468 174.600 0.164 0.000 1.031 219 S CA 0.097 58.363 58.200 0.110 0.000 1.014 219 S CB 1.287 64.594 63.200 0.179 0.000 0.918 219 S HN 0.523 nan 8.310 nan 0.000 0.519 220 G N 1.196 110.047 108.800 0.084 0.000 2.175 220 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.244 220 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.244 220 G C -0.018 174.857 174.900 -0.042 0.000 0.982 220 G CA -0.450 44.642 45.100 -0.012 0.000 0.641 220 G HN 0.434 nan 8.290 nan 0.000 0.527 221 F N 0.365 120.274 119.950 -0.068 0.000 2.450 221 F HA 0.587 5.113 4.527 -0.001 0.000 0.339 221 F C 1.560 177.300 175.800 -0.100 0.000 1.146 221 F CA 0.043 57.998 58.000 -0.075 0.000 1.267 221 F CB 0.899 39.858 39.000 -0.068 0.000 1.178 221 F HN -0.194 nan 8.300 nan 0.000 0.585 222 K N 0.806 121.223 120.400 0.027 0.000 2.464 222 K HA 0.248 4.568 4.320 -0.000 0.000 0.206 222 K C -0.638 175.899 176.600 -0.106 0.000 1.186 222 K CA 0.042 56.286 56.287 -0.071 0.000 0.990 222 K CB 0.180 32.590 32.500 -0.150 0.000 1.003 222 K HN 0.611 nan 8.250 nan 0.000 0.562 223 N N 0.274 118.894 118.700 -0.132 0.000 2.484 223 N HA 0.455 5.195 4.740 -0.000 0.000 0.269 223 N C -1.137 174.219 175.510 -0.257 0.000 1.237 223 N CA -0.632 52.174 53.050 -0.406 0.000 0.838 223 N CB 2.259 39.941 38.487 -1.342 0.000 1.593 223 N HN -0.103 nan 8.380 nan 0.000 0.485 224 M N -0.177 119.294 119.600 -0.215 0.000 2.569 224 M HA 0.640 5.120 4.480 -0.000 0.000 0.279 224 M C -2.037 174.333 176.300 0.117 0.000 1.253 224 M CA -0.966 54.330 55.300 -0.006 0.000 0.867 224 M CB 2.483 35.066 32.600 -0.028 0.000 1.727 224 M HN 0.497 nan 8.290 nan 0.000 0.467 225 L N 3.376 124.679 121.223 0.132 0.000 2.401 225 L HA 0.881 5.221 4.340 -0.000 0.000 0.266 225 L C -1.497 175.250 176.870 -0.205 0.000 0.991 225 L CA -0.747 54.125 54.840 0.053 0.000 0.818 225 L CB 2.067 44.196 42.059 0.117 0.000 1.321 225 L HN 0.951 nan 8.230 nan 0.000 0.413 226 I N 0.872 121.235 120.570 -0.345 0.000 3.042 226 I HA 0.618 4.787 4.170 -0.000 0.000 0.310 226 I C -0.743 175.078 176.117 -0.493 0.000 1.117 226 I CA -0.563 60.345 61.300 -0.653 0.000 1.003 226 I CB 2.249 39.582 38.000 -1.111 0.000 1.228 226 I HN 0.730 nan 8.210 nan 0.000 0.443 227 Q N 1.925 121.500 119.800 -0.376 0.000 2.546 227 Q HA 0.340 4.679 4.340 -0.000 0.000 0.226 227 Q C -0.003 175.901 176.000 -0.160 0.000 0.769 227 Q CA 0.444 56.108 55.803 -0.233 0.000 0.954 227 Q CB 0.646 29.242 28.738 -0.238 0.000 1.319 227 Q HN 0.656 nan 8.270 nan 0.000 0.534 228 R N 2.006 122.429 120.500 -0.128 0.000 2.608 228 R HA 0.350 4.689 4.340 -0.000 0.000 0.277 228 R C -0.700 175.366 176.300 -0.390 0.000 1.341 228 R CA 0.534 56.294 56.100 -0.567 0.000 1.199 228 R CB 0.299 29.884 30.300 -1.191 0.000 1.156 228 R HN 0.384 nan 8.270 nan 0.000 0.558 229 T N -2.284 112.261 114.554 -0.015 0.000 2.908 229 T HA 0.137 4.487 4.350 -0.000 0.000 0.290 229 T C -0.004 174.958 174.700 0.438 0.000 1.034 229 T CA -0.895 61.326 62.100 0.202 0.000 1.010 229 T CB 1.777 70.597 68.868 -0.079 0.000 1.068 229 T HN 0.429 nan 8.240 nan 0.000 0.481 230 H N 2.009 121.293 119.070 0.356 0.000 3.064 230 H HA -0.043 4.512 4.556 -0.000 0.000 0.329 230 H C 1.055 176.433 175.328 0.084 0.000 1.020 230 H CA 0.476 56.622 56.048 0.163 0.000 1.402 230 H CB 0.349 30.236 29.762 0.208 0.000 1.379 230 H HN 0.931 nan 8.280 nan 0.000 0.594 231 Y N 2.277 122.671 120.300 0.158 0.000 2.256 231 Y HA -0.171 4.379 4.550 -0.001 0.000 0.288 231 Y C 2.186 178.261 175.900 0.291 0.000 1.155 231 Y CA 0.982 59.211 58.100 0.216 0.000 1.203 231 Y CB -0.659 37.864 38.460 0.106 0.000 0.980 231 Y HN 0.296 nan 8.280 nan 0.000 0.530 232 S N 0.325 116.056 115.700 0.052 0.000 2.406 232 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 232 S C 2.081 176.599 174.600 -0.137 0.000 1.020 232 S CA 1.123 59.249 58.200 -0.124 0.000 0.965 232 S CB -0.541 62.368 63.200 -0.484 0.000 0.798 232 S HN 0.370 nan 8.310 nan 0.000 0.488 233 V N 2.059 121.951 119.914 -0.037 0.000 2.358 233 V HA -0.180 3.939 4.120 -0.000 0.000 0.246 233 V C 2.240 178.370 176.094 0.060 0.000 1.047 233 V CA 1.602 63.913 62.300 0.019 0.000 1.035 233 V CB -0.536 31.403 31.823 0.194 0.000 0.658 233 V HN 0.413 nan 8.190 nan 0.000 0.452 234 K N 0.176 120.655 120.400 0.130 0.000 2.032 234 K HA -0.261 4.059 4.320 -0.000 0.000 0.209 234 K C 2.278 179.008 176.600 0.218 0.000 1.048 234 K CA 1.908 58.291 56.287 0.160 0.000 0.927 234 K CB -0.263 32.389 32.500 0.253 0.000 0.712 234 K HN 0.356 nan 8.250 nan 0.000 0.441 235 K N 1.195 121.723 120.400 0.213 0.000 2.026 235 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 235 K C 2.173 178.863 176.600 0.149 0.000 1.048 235 K CA 1.841 58.259 56.287 0.218 0.000 0.929 235 K CB 0.020 32.577 32.500 0.094 0.000 0.713 235 K HN 0.001 nan 8.250 nan 0.000 0.439 236 E N 0.824 121.034 120.200 0.015 0.000 2.051 236 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 236 E C 1.937 178.528 176.600 -0.016 0.000 0.991 236 E CA 1.421 57.789 56.400 -0.053 0.000 0.799 236 E CB -0.175 29.445 29.700 -0.132 0.000 0.748 236 E HN 0.359 nan 8.360 nan 0.000 0.449 237 L N -0.189 121.036 121.223 0.003 0.000 2.156 237 L HA -0.029 4.310 4.340 -0.000 0.000 0.208 237 L C 2.502 179.388 176.870 0.027 0.000 1.095 237 L CA 0.843 55.679 54.840 -0.008 0.000 0.770 237 L CB -0.544 41.496 42.059 -0.032 0.000 0.914 237 L HN 0.217 nan 8.230 nan 0.000 0.439 238 A N -0.273 122.615 122.820 0.114 0.000 1.933 238 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 238 A C 2.217 179.977 177.584 0.293 0.000 1.175 238 A CA 1.370 53.529 52.037 0.203 0.000 0.628 238 A CB -0.408 18.869 19.000 0.461 0.000 0.814 238 A HN 0.455 nan 8.150 nan 0.000 0.444 239 Q N -0.917 119.004 119.800 0.202 0.000 2.226 239 Q HA -0.138 4.201 4.340 -0.000 0.000 0.204 239 Q C 1.304 177.290 176.000 -0.024 0.000 0.975 239 Q CA 1.175 56.950 55.803 -0.046 0.000 0.866 239 Q CB -0.018 28.565 28.738 -0.259 0.000 0.915 239 Q HN 0.611 nan 8.270 nan 0.000 0.440 240 Q N -0.173 119.626 119.800 -0.002 0.000 2.247 240 Q HA 0.135 4.475 4.340 -0.000 0.000 0.204 240 Q C -0.390 175.622 176.000 0.020 0.000 0.872 240 Q CA -0.022 55.777 55.803 -0.007 0.000 0.951 240 Q CB 0.652 29.377 28.738 -0.023 0.000 1.099 240 Q HN 0.278 nan 8.270 nan 0.000 0.501 241 R N 0.780 121.298 120.500 0.029 0.000 3.333 241 R HA -0.211 4.129 4.340 -0.000 0.000 0.256 241 R C -0.082 176.245 176.300 0.045 0.000 1.010 241 R CA 0.472 56.580 56.100 0.014 0.000 0.680 241 R CB -1.938 28.395 30.300 0.054 0.000 1.102 241 R HN 0.375 nan 8.270 nan 0.000 0.440 242 Q N 0.030 119.845 119.800 0.025 0.000 2.165 242 Q HA 0.202 4.542 4.340 -0.000 0.000 0.245 242 Q C 1.148 177.221 176.000 0.122 0.000 0.841 242 Q CA -0.229 55.624 55.803 0.082 0.000 1.078 242 Q CB 0.560 29.312 28.738 0.023 0.000 1.169 242 Q HN 0.433 nan 8.270 nan 0.000 0.475 243 L N 0.102 121.329 121.223 0.006 0.000 2.492 243 L HA 0.057 4.397 4.340 -0.000 0.000 0.223 243 L C 0.243 177.094 176.870 -0.031 0.000 1.132 243 L CA 0.899 55.714 54.840 -0.043 0.000 0.850 243 L CB 0.340 42.186 42.059 -0.354 0.000 0.966 243 L HN 0.167 nan 8.230 nan 0.000 0.454 244 E N 0.264 120.490 120.200 0.044 0.000 2.158 244 E HA 0.519 4.868 4.350 -0.000 0.000 0.271 244 E C -1.198 175.313 176.600 -0.148 0.000 0.911 244 E CA -0.532 55.707 56.400 -0.268 0.000 0.767 244 E CB 1.487 31.133 29.700 -0.090 0.000 1.120 244 E HN 0.005 nan 8.360 nan 0.000 0.405 245 F N -0.301 119.388 119.950 -0.435 0.000 2.686 245 F HA 0.474 5.001 4.527 -0.001 0.000 0.311 245 F C -1.495 174.191 175.800 -0.191 0.000 1.128 245 F CA -1.414 56.475 58.000 -0.184 0.000 0.946 245 F CB 0.798 39.726 39.000 -0.120 0.000 1.336 245 F HN 0.158 nan 8.300 nan 0.000 0.457 246 L N 2.650 124.024 121.223 0.252 0.000 2.282 246 L HA 0.166 4.506 4.340 -0.000 0.000 0.287 246 L C -1.070 176.029 176.870 0.381 0.000 1.075 246 L CA -0.227 54.761 54.840 0.246 0.000 0.839 246 L CB 0.447 42.651 42.059 0.242 0.000 1.219 246 L HN 0.587 nan 8.230 nan 0.000 0.434 247 W N 6.806 128.215 121.300 0.182 0.000 2.387 247 W HA 0.320 4.980 4.660 -0.000 0.000 0.310 247 W C 0.270 176.816 176.519 0.045 0.000 1.181 247 W CA -1.269 56.202 57.345 0.210 0.000 1.333 247 W CB 0.416 30.044 29.460 0.281 0.000 1.286 247 W HN 0.507 nan 8.180 nan 0.000 0.455 248 R N 3.798 124.472 120.500 0.289 0.000 2.758 248 R HA 0.540 4.880 4.340 -0.000 0.000 0.265 248 R C -0.071 176.140 176.300 -0.149 0.000 1.016 248 R CA -0.907 55.193 56.100 -0.001 0.000 1.040 248 R CB 1.096 31.378 30.300 -0.031 0.000 1.152 248 R HN 0.243 nan 8.270 nan 0.000 0.503 249 Q N 1.316 120.872 119.800 -0.406 0.000 2.394 249 Q HA 0.068 4.408 4.340 -0.000 0.000 0.248 249 Q C 1.446 177.063 176.000 -0.639 0.000 0.992 249 Q CA 0.067 55.439 55.803 -0.718 0.000 0.888 249 Q CB 0.838 28.677 28.738 -1.499 0.000 1.257 249 Q HN 0.853 nan 8.270 nan 0.000 0.462 250 I N -2.219 118.081 120.570 -0.450 0.000 2.567 250 I HA -0.137 4.032 4.170 -0.000 0.000 0.257 250 I C 1.287 177.352 176.117 -0.086 0.000 1.184 250 I CA 1.164 62.359 61.300 -0.174 0.000 1.451 250 I CB -0.354 37.641 38.000 -0.008 0.000 1.089 250 I HN 0.662 nan 8.210 nan 0.000 0.441 251 W N 1.366 122.729 121.300 0.105 0.000 3.278 251 W HA 0.357 5.017 4.660 -0.000 0.000 0.308 251 W C 0.202 176.800 176.519 0.133 0.000 1.253 251 W CA -0.679 56.790 57.345 0.206 0.000 1.759 251 W CB -0.670 29.002 29.460 0.354 0.000 1.093 251 W HN -0.048 nan 8.180 nan 0.000 0.648 252 D N 1.752 121.942 120.400 -0.349 0.000 2.441 252 D HA -0.007 4.632 4.640 -0.000 0.000 0.221 252 D C 0.988 177.266 176.300 -0.036 0.000 1.156 252 D CA 0.044 53.933 54.000 -0.186 0.000 0.896 252 D CB 0.346 40.932 40.800 -0.356 0.000 1.028 252 D HN 0.031 nan 8.370 nan 0.000 0.509 253 N N 3.702 122.440 118.700 0.062 0.000 2.188 253 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 253 N C 1.397 176.926 175.510 0.031 0.000 1.018 253 N CA 1.188 54.267 53.050 0.048 0.000 0.858 253 N CB 0.149 38.684 38.487 0.081 0.000 0.989 253 N HN 0.362 nan 8.380 nan 0.000 0.426 254 K N -1.415 119.008 120.400 0.038 0.000 2.186 254 K HA 0.108 4.428 4.320 -0.000 0.000 0.202 254 K C 0.602 177.215 176.600 0.022 0.000 1.052 254 K CA 0.896 57.203 56.287 0.033 0.000 0.965 254 K CB 0.102 32.627 32.500 0.041 0.000 0.746 254 K HN 0.249 nan 8.250 nan 0.000 0.457 255 G N 0.961 109.765 108.800 0.008 0.000 2.163 255 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.213 255 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.213 255 G C 0.115 175.015 174.900 0.001 0.000 0.991 255 G CA 0.363 45.465 45.100 0.003 0.000 0.653 255 G HN 0.355 nan 8.290 nan 0.000 0.518 256 D N 0.556 120.957 120.400 0.002 0.000 2.312 256 D HA 0.008 4.648 4.640 -0.000 0.000 0.211 256 D C 2.578 178.863 176.300 -0.026 0.000 0.964 256 D CA 1.693 55.692 54.000 -0.003 0.000 0.877 256 D CB -0.217 40.588 40.800 0.008 0.000 0.924 256 D HN 0.662 nan 8.370 nan 0.000 0.515 257 T N -2.201 112.326 114.554 -0.045 0.000 3.148 257 T HA 0.312 4.662 4.350 -0.000 0.000 0.253 257 T C 0.960 175.617 174.700 -0.072 0.000 1.134 257 T CA -0.097 61.954 62.100 -0.082 0.000 1.051 257 T CB -0.024 68.773 68.868 -0.118 0.000 0.959 257 T HN 0.054 nan 8.240 nan 0.000 0.525 258 A N 1.355 124.160 122.820 -0.026 0.000 2.498 258 A HA 0.585 4.905 4.320 -0.000 0.000 0.239 258 A C -0.312 177.289 177.584 0.029 0.000 1.068 258 A CA -0.422 51.630 52.037 0.025 0.000 0.766 258 A CB -0.013 19.028 19.000 0.068 0.000 1.003 258 A HN 0.541 nan 8.150 nan 0.000 0.497 259 L N 2.472 123.732 121.223 0.062 0.000 2.409 259 L HA 0.562 4.902 4.340 -0.000 0.000 0.272 259 L C -0.688 176.243 176.870 0.102 0.000 0.980 259 L CA -0.536 54.337 54.840 0.055 0.000 0.826 259 L CB 1.425 43.479 42.059 -0.008 0.000 1.268 259 L HN 0.660 nan 8.230 nan 0.000 0.407 260 F N 3.834 123.742 119.950 -0.069 0.000 2.578 260 F HA 0.392 4.919 4.527 -0.001 0.000 0.381 260 F C 0.053 175.738 175.800 -0.192 0.000 1.069 260 F CA 0.765 58.692 58.000 -0.121 0.000 1.231 260 F CB 0.472 39.412 39.000 -0.099 0.000 1.086 260 F HN 0.558 nan 8.300 nan 0.000 0.564 261 T N 5.376 119.405 114.554 -0.876 0.000 2.848 261 T HA 0.200 4.550 4.350 -0.000 0.000 0.285 261 T C -1.580 172.522 174.700 -0.997 0.000 0.995 261 T CA -0.470 61.176 62.100 -0.757 0.000 0.970 261 T CB 0.869 69.273 68.868 -0.773 0.000 0.976 261 T HN 0.615 nan 8.240 nan 0.000 0.441 262 H N 2.847 121.631 119.070 -0.477 0.000 2.504 262 H HA 0.628 5.184 4.556 -0.000 0.000 0.322 262 H C -0.398 174.747 175.328 -0.305 0.000 1.055 262 H CA -0.761 55.116 56.048 -0.286 0.000 1.231 262 H CB 0.760 30.566 29.762 0.072 0.000 1.417 262 H HN 0.474 nan 8.280 nan 0.000 0.472 263 M N 6.987 126.273 119.600 -0.523 0.000 2.113 263 M HA 0.299 4.778 4.480 -0.000 0.000 0.352 263 M C -0.968 175.091 176.300 -0.402 0.000 1.170 263 M CA -0.605 54.457 55.300 -0.396 0.000 1.053 263 M CB 0.714 33.134 32.600 -0.300 0.000 1.601 263 M HN 0.667 nan 8.290 nan 0.000 0.459 264 M N 6.636 126.101 119.600 -0.226 0.000 2.240 264 M HA 0.216 4.696 4.480 -0.000 0.000 0.333 264 M C -1.644 174.530 176.300 -0.209 0.000 1.110 264 M CA -1.205 54.006 55.300 -0.147 0.000 1.173 264 M CB 0.389 32.924 32.600 -0.108 0.000 1.458 264 M HN 0.484 nan 8.290 nan 0.000 0.458 265 P HA 0.151 nan 4.420 nan 0.000 0.259 265 P C -0.380 176.743 177.300 -0.295 0.000 1.233 265 P CA 0.753 63.562 63.100 -0.485 0.000 0.827 265 P CB 0.444 31.556 31.700 -0.980 0.000 1.154 266 F N -1.693 118.267 119.950 0.017 0.000 2.611 266 F HA 0.301 4.828 4.527 -0.001 0.000 0.374 266 F C 1.961 177.849 175.800 0.147 0.000 1.110 266 F CA -1.452 56.591 58.000 0.073 0.000 1.090 266 F CB -0.756 38.225 39.000 -0.032 0.000 1.388 266 F HN -0.324 nan 8.300 nan 0.000 0.501 267 Y N -0.002 120.444 120.300 0.243 0.000 2.373 267 Y HA 0.143 4.693 4.550 -0.001 0.000 0.293 267 Y C 0.867 176.687 175.900 -0.133 0.000 1.129 267 Y CA 1.296 59.398 58.100 0.003 0.000 1.226 267 Y CB 0.106 38.465 38.460 -0.168 0.000 1.000 267 Y HN 0.350 nan 8.280 nan 0.000 0.549 268 S N -1.802 113.756 115.700 -0.235 0.000 2.651 268 S HA 0.251 4.721 4.470 -0.000 0.000 0.279 268 S C -0.377 174.160 174.600 -0.106 0.000 1.148 268 S CA -0.387 57.581 58.200 -0.386 0.000 0.837 268 S CB 0.284 63.206 63.200 -0.463 0.000 1.138 268 S HN 0.282 nan 8.310 nan 0.000 0.478 269 Y N 0.731 120.996 120.300 -0.059 0.000 2.466 269 Y HA 0.317 4.866 4.550 -0.001 0.000 0.272 269 Y C 0.454 176.448 175.900 0.156 0.000 1.169 269 Y CA -0.558 57.541 58.100 -0.001 0.000 1.285 269 Y CB -0.944 37.431 38.460 -0.142 0.000 1.078 269 Y HN 0.531 nan 8.280 nan 0.000 0.523 270 D N 0.712 121.138 120.400 0.043 0.000 2.384 270 D HA -0.023 4.617 4.640 -0.000 0.000 0.244 270 D C 1.238 177.674 176.300 0.227 0.000 1.251 270 D CA -0.403 53.703 54.000 0.177 0.000 0.961 270 D CB 0.836 41.699 40.800 0.104 0.000 1.116 270 D HN 0.258 nan 8.370 nan 0.000 0.484 271 I N -0.287 120.391 120.570 0.181 0.000 2.226 271 I HA -0.144 4.025 4.170 -0.000 0.000 0.245 271 I C -0.749 175.408 176.117 0.067 0.000 1.100 271 I CA 0.784 62.175 61.300 0.151 0.000 1.374 271 I CB -1.205 36.873 38.000 0.131 0.000 1.057 271 I HN 0.328 nan 8.210 nan 0.000 0.413 272 P HA -0.167 nan 4.420 nan 0.000 0.218 272 P C 0.635 177.638 177.300 -0.495 0.000 1.146 272 P CA 1.649 64.563 63.100 -0.310 0.000 0.813 272 P CB -0.122 31.373 31.700 -0.342 0.000 0.778 273 H N -3.014 116.055 119.070 -0.003 0.000 2.486 273 H HA 0.216 4.771 4.556 -0.001 0.000 0.284 273 H C 0.905 176.331 175.328 0.162 0.000 1.103 273 H CA 0.610 56.669 56.048 0.018 0.000 1.089 273 H CB -0.175 29.664 29.762 0.128 0.000 1.603 273 H HN 0.116 nan 8.280 nan 0.000 0.557 274 T N -4.140 110.532 114.554 0.197 0.000 2.986 274 T HA -0.024 4.325 4.350 -0.000 0.000 0.264 274 T C 1.814 176.642 174.700 0.214 0.000 0.964 274 T CA 0.357 62.605 62.100 0.247 0.000 0.895 274 T CB -0.685 68.320 68.868 0.229 0.000 1.163 274 T HN 0.514 nan 8.240 nan 0.000 0.517 275 c N 1.587 120.281 118.600 0.156 0.000 2.495 275 c HA 0.702 5.272 4.570 -0.000 0.000 0.275 275 c C 1.336 175.550 174.090 0.206 0.000 1.392 275 c CA 0.364 56.824 56.329 0.219 0.000 1.766 275 c CB -1.170 41.418 42.510 0.131 0.000 1.933 275 c HN 0.885 nan 8.230 nan 0.000 0.519 276 G N -0.340 108.508 108.800 0.081 0.000 2.324 276 G HA2 0.371 4.331 3.960 -0.000 0.000 0.293 276 G HA3 0.371 4.331 3.960 -0.000 0.000 0.293 276 G C -2.751 171.779 174.900 -0.617 0.000 1.297 276 G CA 0.214 45.294 45.100 -0.033 0.000 0.853 276 G HN -0.101 nan 8.290 nan 0.000 0.535 277 P HA 0.108 nan 4.420 nan 0.000 0.231 277 P C -0.128 176.757 177.300 -0.692 0.000 1.168 277 P CA 0.981 63.387 63.100 -1.156 0.000 0.779 277 P CB 0.401 31.751 31.700 -0.584 0.000 0.844 278 D N 1.020 121.130 120.400 -0.484 0.000 2.454 278 D HA 0.140 4.779 4.640 -0.000 0.000 0.225 278 D C -1.490 174.474 176.300 -0.559 0.000 1.081 278 D CA -2.589 51.169 54.000 -0.403 0.000 0.864 278 D CB 1.374 42.020 40.800 -0.257 0.000 1.040 278 D HN 0.002 nan 8.370 nan 0.000 0.517 279 P HA -0.131 nan 4.420 nan 0.000 0.223 279 P C 1.205 177.705 177.300 -1.332 0.000 1.151 279 P CA 0.652 63.016 63.100 -1.228 0.000 0.787 279 P CB 0.500 31.171 31.700 -1.715 0.000 0.788 280 K N 0.345 120.103 120.400 -1.070 0.000 2.148 280 K HA -0.055 4.264 4.320 -0.000 0.000 0.204 280 K C 1.767 178.187 176.600 -0.301 0.000 1.050 280 K CA 1.002 56.946 56.287 -0.571 0.000 0.942 280 K CB -0.227 32.132 32.500 -0.235 0.000 0.724 280 K HN -0.074 nan 8.250 nan 0.000 0.446 281 V N 0.409 120.152 119.914 -0.286 0.000 2.331 281 V HA -0.229 3.890 4.120 -0.000 0.000 0.242 281 V C 2.387 178.453 176.094 -0.048 0.000 1.034 281 V CA 1.376 63.602 62.300 -0.123 0.000 1.027 281 V CB -0.313 31.448 31.823 -0.104 0.000 0.667 281 V HN 0.475 nan 8.190 nan 0.000 0.457 282 c N -0.690 117.800 118.600 -0.182 0.000 2.422 282 c HA -0.185 4.385 4.570 -0.000 0.000 0.279 282 c C 2.980 177.039 174.090 -0.051 0.000 1.305 282 c CA 0.755 57.041 56.329 -0.073 0.000 1.757 282 c CB -1.505 40.878 42.510 -0.211 0.000 1.962 282 c HN 0.767 nan 8.230 nan 0.000 0.499 283 c N 0.830 119.309 118.600 -0.202 0.000 2.419 283 c HA -0.144 4.426 4.570 -0.000 0.000 0.281 283 c C 2.585 176.568 174.090 -0.179 0.000 1.336 283 c CA 1.224 57.482 56.329 -0.118 0.000 1.770 283 c CB -1.449 41.057 42.510 -0.007 0.000 1.929 283 c HN 0.641 nan 8.230 nan 0.000 0.509 284 Q N -1.346 118.300 119.800 -0.257 0.000 2.488 284 Q HA -0.004 4.335 4.340 -0.000 0.000 0.211 284 Q C 0.673 176.011 176.000 -1.103 0.000 0.967 284 Q CA 0.988 56.448 55.803 -0.572 0.000 0.926 284 Q CB -0.011 28.369 28.738 -0.596 0.000 0.992 284 Q HN 0.750 nan 8.270 nan 0.000 0.506 285 F N -0.316 119.344 119.950 -0.483 0.000 2.668 285 F HA 0.166 4.693 4.527 -0.000 0.000 0.301 285 F C 0.224 175.755 175.800 -0.447 0.000 1.106 285 F CA -0.580 57.052 58.000 -0.612 0.000 1.289 285 F CB 0.766 39.650 39.000 -0.193 0.000 1.006 285 F HN -0.142 nan 8.300 nan 0.000 0.535 286 D N 0.072 120.255 120.400 -0.362 0.000 2.485 286 D HA 0.138 4.778 4.640 -0.000 0.000 0.221 286 D C 0.434 176.566 176.300 -0.280 0.000 1.112 286 D CA -0.352 53.554 54.000 -0.157 0.000 0.911 286 D CB 0.096 40.858 40.800 -0.063 0.000 1.019 286 D HN 0.086 nan 8.370 nan 0.000 0.516 287 F N 1.734 121.690 119.950 0.009 0.000 2.802 287 F HA 0.115 4.641 4.527 -0.001 0.000 0.300 287 F C 2.319 178.074 175.800 -0.075 0.000 1.168 287 F CA 0.256 58.236 58.000 -0.032 0.000 1.433 287 F CB 0.112 39.113 39.000 0.003 0.000 1.115 287 F HN 0.260 nan 8.300 nan 0.000 0.582 288 K N 0.669 121.013 120.400 -0.093 0.000 2.525 288 K HA 0.037 4.357 4.320 -0.000 0.000 0.192 288 K C 1.032 177.606 176.600 -0.042 0.000 1.029 288 K CA 0.307 56.415 56.287 -0.299 0.000 1.029 288 K CB 0.107 32.290 32.500 -0.528 0.000 0.814 288 K HN 0.200 nan 8.250 nan 0.000 0.503 289 R N 0.094 120.587 120.500 -0.010 0.000 2.702 289 R HA 0.202 4.542 4.340 -0.000 0.000 0.314 289 R C 0.768 177.096 176.300 0.048 0.000 1.152 289 R CA -0.161 55.953 56.100 0.024 0.000 1.097 289 R CB 0.253 30.543 30.300 -0.018 0.000 1.343 289 R HN 0.170 nan 8.270 nan 0.000 0.575 290 M N -1.176 118.489 119.600 0.109 0.000 2.428 290 M HA 0.195 4.674 4.480 -0.000 0.000 0.239 290 M C 1.104 177.444 176.300 0.067 0.000 1.121 290 M CA 0.559 55.902 55.300 0.072 0.000 1.019 290 M CB 1.089 33.740 32.600 0.085 0.000 1.485 290 M HN 0.490 nan 8.290 nan 0.000 0.484 291 G N 0.031 108.889 108.800 0.096 0.000 3.180 291 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.197 291 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.197 291 G C 0.978 175.892 174.900 0.023 0.000 1.149 291 G CA 0.246 45.376 45.100 0.050 0.000 0.847 291 G HN 0.408 nan 8.290 nan 0.000 0.469 292 S N 0.177 115.854 115.700 -0.037 0.000 2.474 292 S HA 0.237 4.706 4.470 -0.000 0.000 0.235 292 S C 1.643 176.073 174.600 -0.283 0.000 0.997 292 S CA 1.412 59.492 58.200 -0.200 0.000 0.949 292 S CB -0.391 62.605 63.200 -0.339 0.000 0.766 292 S HN 0.345 nan 8.310 nan 0.000 0.517 293 F N 1.773 121.723 119.950 -0.001 0.000 2.693 293 F HA 0.444 4.971 4.527 -0.000 0.000 0.303 293 F C 1.844 177.647 175.800 0.005 0.000 1.097 293 F CA -0.151 57.849 58.000 -0.001 0.000 1.330 293 F CB -0.045 38.951 39.000 -0.008 0.000 1.067 293 F HN 0.348 nan 8.300 nan 0.000 0.565 294 G N 1.104 109.982 108.800 0.130 0.000 2.153 294 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.252 294 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.252 294 G C -0.050 174.905 174.900 0.092 0.000 0.994 294 G CA 0.125 45.278 45.100 0.088 0.000 0.698 294 G HN 0.313 nan 8.290 nan 0.000 0.521 295 L N 0.061 121.350 121.223 0.110 0.000 2.319 295 L HA 0.866 5.206 4.340 -0.000 0.000 0.267 295 L C 0.559 177.464 176.870 0.058 0.000 1.011 295 L CA -0.367 54.520 54.840 0.078 0.000 0.818 295 L CB 2.293 44.396 42.059 0.072 0.000 1.316 295 L HN 0.457 nan 8.230 nan 0.000 0.432 296 S N -0.896 114.827 115.700 0.038 0.000 2.656 296 S HA 0.501 4.971 4.470 -0.000 0.000 0.273 296 S C -1.271 173.346 174.600 0.029 0.000 1.168 296 S CA -0.813 57.401 58.200 0.024 0.000 0.817 296 S CB 1.563 64.768 63.200 0.008 0.000 1.146 296 S HN 0.518 nan 8.310 nan 0.000 0.475 297 c N 3.027 121.649 118.600 0.037 0.000 2.265 297 c HA 0.532 5.102 4.570 -0.000 0.000 0.332 297 c C -1.057 173.036 174.090 0.004 0.000 1.248 297 c CA -1.154 55.237 56.329 0.103 0.000 1.727 297 c CB 0.671 43.271 42.510 0.151 0.000 2.348 297 c HN 0.755 nan 8.230 nan 0.000 0.519 298 P HA -0.108 nan 4.420 nan 0.000 0.221 298 P C 1.123 178.143 177.300 -0.467 0.000 1.145 298 P CA 1.409 64.230 63.100 -0.466 0.000 0.795 298 P CB 0.044 31.257 31.700 -0.812 0.000 0.775 299 W N 0.179 121.456 121.300 -0.038 0.000 3.180 299 W HA 0.181 4.841 4.660 -0.000 0.000 0.254 299 W C 0.649 177.141 176.519 -0.045 0.000 1.318 299 W CA 0.026 57.345 57.345 -0.045 0.000 1.608 299 W CB -0.499 28.925 29.460 -0.060 0.000 1.124 299 W HN 0.135 nan 8.180 nan 0.000 0.694 300 K N -1.060 119.397 120.400 0.095 0.000 3.512 300 K HA -0.174 4.146 4.320 -0.000 0.000 0.309 300 K C -0.361 176.262 176.600 0.040 0.000 1.350 300 K CA 0.514 56.824 56.287 0.038 0.000 0.960 300 K CB -1.921 30.589 32.500 0.017 0.000 1.290 300 K HN -0.104 nan 8.250 nan 0.000 0.454 301 V N 2.140 122.088 119.914 0.058 0.000 2.350 301 V HA 0.303 4.423 4.120 -0.000 0.000 0.285 301 V C -1.833 174.245 176.094 -0.027 0.000 1.014 301 V CA -1.517 60.786 62.300 0.004 0.000 0.831 301 V CB 1.395 33.212 31.823 -0.010 0.000 1.000 301 V HN -0.028 nan 8.190 nan 0.000 0.433 302 P HA 0.404 nan 4.420 nan 0.000 0.276 302 P C -2.834 174.372 177.300 -0.157 0.000 1.252 302 P CA -2.076 60.979 63.100 -0.074 0.000 0.802 302 P CB 0.185 31.856 31.700 -0.049 0.000 1.035 303 P HA 0.261 nan 4.420 nan 0.000 0.272 303 P C -0.429 176.758 177.300 -0.189 0.000 1.223 303 P CA 0.110 62.994 63.100 -0.361 0.000 0.784 303 P CB 0.496 31.921 31.700 -0.459 0.000 0.923 304 R N 0.498 120.892 120.500 -0.176 0.000 2.494 304 R HA 0.421 4.760 4.340 -0.000 0.000 0.305 304 R C -0.156 176.195 176.300 0.084 0.000 0.959 304 R CA -0.602 55.469 56.100 -0.047 0.000 0.864 304 R CB 0.938 31.189 30.300 -0.082 0.000 1.159 304 R HN 0.350 nan 8.270 nan 0.000 0.446 305 T N 4.189 118.792 114.554 0.081 0.000 2.905 305 T HA 0.023 4.373 4.350 -0.000 0.000 0.299 305 T C 0.735 175.430 174.700 -0.008 0.000 1.024 305 T CA 0.152 62.282 62.100 0.050 0.000 1.151 305 T CB 0.145 69.021 68.868 0.014 0.000 0.987 305 T HN 0.198 nan 8.240 nan 0.000 0.535 306 I N 3.977 124.499 120.570 -0.081 0.000 2.496 306 I HA 0.254 4.424 4.170 -0.000 0.000 0.285 306 I C 0.996 177.067 176.117 -0.077 0.000 1.080 306 I CA 0.062 61.309 61.300 -0.088 0.000 1.404 306 I CB 0.261 38.168 38.000 -0.155 0.000 1.403 306 I HN 0.778 nan 8.210 nan 0.000 0.539 307 S N 3.912 119.577 115.700 -0.059 0.000 2.697 307 S HA 0.415 4.885 4.470 -0.000 0.000 0.289 307 S C 0.449 175.020 174.600 -0.047 0.000 1.149 307 S CA -0.771 57.402 58.200 -0.045 0.000 0.850 307 S CB 2.192 65.373 63.200 -0.033 0.000 1.151 307 S HN 0.545 nan 8.310 nan 0.000 0.491 308 D N 0.409 120.791 120.400 -0.030 0.000 2.221 308 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 308 D C 1.594 177.872 176.300 -0.036 0.000 0.982 308 D CA 1.403 55.388 54.000 -0.025 0.000 0.857 308 D CB 0.040 40.839 40.800 -0.002 0.000 0.934 308 D HN 0.751 nan 8.370 nan 0.000 0.475 309 Q N 0.740 120.521 119.800 -0.032 0.000 2.424 309 Q HA -0.074 4.266 4.340 -0.000 0.000 0.204 309 Q C 0.830 176.807 176.000 -0.039 0.000 0.933 309 Q CA 0.615 56.401 55.803 -0.028 0.000 0.929 309 Q CB 0.232 28.959 28.738 -0.018 0.000 1.037 309 Q HN 0.177 nan 8.270 nan 0.000 0.511 310 N N -1.004 117.665 118.700 -0.052 0.000 2.171 310 N HA -0.061 4.679 4.740 -0.000 0.000 0.212 310 N C 1.246 176.704 175.510 -0.087 0.000 1.184 310 N CA 0.295 53.312 53.050 -0.054 0.000 0.888 310 N CB 0.050 38.512 38.487 -0.042 0.000 1.038 310 N HN 0.028 nan 8.380 nan 0.000 0.517 311 V N 0.330 120.158 119.914 -0.144 0.000 2.515 311 V HA -0.019 4.100 4.120 -0.000 0.000 0.250 311 V C 2.175 178.049 176.094 -0.367 0.000 1.058 311 V CA 1.932 64.095 62.300 -0.229 0.000 1.064 311 V CB -0.785 30.890 31.823 -0.247 0.000 0.675 311 V HN 0.438 nan 8.190 nan 0.000 0.461 312 A N -0.231 122.358 122.820 -0.385 0.000 1.898 312 A HA 0.030 4.349 4.320 -0.000 0.000 0.216 312 A C 2.415 180.027 177.584 0.046 0.000 1.181 312 A CA 1.883 53.799 52.037 -0.201 0.000 0.620 312 A CB -0.910 18.086 19.000 -0.008 0.000 0.819 312 A HN 0.763 nan 8.150 nan 0.000 0.442 313 A N -0.314 122.510 122.820 0.007 0.000 1.898 313 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 313 A C 2.237 179.854 177.584 0.054 0.000 1.181 313 A CA 1.337 53.400 52.037 0.043 0.000 0.620 313 A CB -0.435 18.574 19.000 0.016 0.000 0.819 313 A HN 0.410 nan 8.150 nan 0.000 0.442 314 R N 0.117 120.639 120.500 0.036 0.000 2.081 314 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 314 R C 2.405 178.742 176.300 0.061 0.000 1.131 314 R CA 1.606 57.776 56.100 0.117 0.000 0.960 314 R CB -0.986 29.381 30.300 0.111 0.000 0.856 314 R HN 0.535 nan 8.270 nan 0.000 0.436 315 S N 1.233 116.921 115.700 -0.019 0.000 2.382 315 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 315 S C 1.433 175.912 174.600 -0.202 0.000 1.027 315 S CA 1.330 59.429 58.200 -0.169 0.000 0.991 315 S CB -0.262 62.966 63.200 0.046 0.000 0.823 315 S HN 0.265 nan 8.310 nan 0.000 0.469 316 D N 1.430 121.905 120.400 0.124 0.000 2.116 316 D HA -0.074 4.566 4.640 -0.000 0.000 0.193 316 D C 1.834 178.132 176.300 -0.003 0.000 0.998 316 D CA 0.923 55.043 54.000 0.199 0.000 0.836 316 D CB -0.265 40.669 40.800 0.224 0.000 0.951 316 D HN 0.243 nan 8.370 nan 0.000 0.449 317 L N -0.344 120.855 121.223 -0.040 0.000 2.017 317 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 317 L C 2.303 178.985 176.870 -0.314 0.000 1.073 317 L CA 0.591 55.381 54.840 -0.082 0.000 0.745 317 L CB -0.263 41.821 42.059 0.041 0.000 0.894 317 L HN 0.167 nan 8.230 nan 0.000 0.432 318 L N -1.004 119.856 121.223 -0.605 0.000 2.072 318 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 318 L C 2.270 178.446 176.870 -1.157 0.000 1.079 318 L CA 1.496 55.647 54.840 -1.149 0.000 0.752 318 L CB -0.258 40.832 42.059 -1.616 0.000 0.906 318 L HN -0.082 nan 8.230 nan 0.000 0.436 319 V N -0.178 119.194 119.914 -0.902 0.000 2.427 319 V HA -0.273 3.846 4.120 -0.000 0.000 0.248 319 V C 2.260 178.180 176.094 -0.291 0.000 1.051 319 V CA 1.822 63.739 62.300 -0.639 0.000 1.048 319 V CB -0.683 30.732 31.823 -0.680 0.000 0.666 319 V HN 0.566 nan 8.190 nan 0.000 0.456 320 D N -0.721 119.570 120.400 -0.183 0.000 2.117 320 D HA -0.203 4.436 4.640 -0.000 0.000 0.197 320 D C 2.233 178.504 176.300 -0.048 0.000 0.987 320 D CA 1.135 55.139 54.000 0.005 0.000 0.829 320 D CB 0.006 40.867 40.800 0.102 0.000 0.961 320 D HN 0.281 nan 8.370 nan 0.000 0.460 321 Q N -0.472 119.232 119.800 -0.160 0.000 2.061 321 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 321 Q C 2.132 178.148 176.000 0.026 0.000 0.984 321 Q CA 1.013 56.748 55.803 -0.114 0.000 0.846 321 Q CB -0.605 27.999 28.738 -0.224 0.000 0.902 321 Q HN 0.550 nan 8.270 nan 0.000 0.421 322 W N 1.460 122.652 121.300 -0.179 0.000 2.335 322 W HA -0.113 4.546 4.660 -0.001 0.000 0.311 322 W C 2.123 178.527 176.519 -0.192 0.000 1.213 322 W CA 0.802 58.043 57.345 -0.173 0.000 1.274 322 W CB -0.675 28.653 29.460 -0.219 0.000 1.148 322 W HN 0.214 nan 8.180 nan 0.000 0.498 323 K N 0.102 120.458 120.400 -0.073 0.000 2.148 323 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 323 K C 1.947 178.400 176.600 -0.245 0.000 1.050 323 K CA 1.222 57.318 56.287 -0.320 0.000 0.942 323 K CB -0.207 31.766 32.500 -0.878 0.000 0.724 323 K HN 0.073 nan 8.250 nan 0.000 0.446 324 K N 0.975 121.314 120.400 -0.102 0.000 2.025 324 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 324 K C 2.092 178.763 176.600 0.119 0.000 1.049 324 K CA 1.193 57.548 56.287 0.113 0.000 0.933 324 K CB -0.013 32.567 32.500 0.134 0.000 0.714 324 K HN 0.012 nan 8.250 nan 0.000 0.438 325 K N 0.814 121.290 120.400 0.126 0.000 2.103 325 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 325 K C 2.016 178.740 176.600 0.206 0.000 1.048 325 K CA 1.280 57.668 56.287 0.168 0.000 0.930 325 K CB -0.088 32.529 32.500 0.194 0.000 0.716 325 K HN 0.148 nan 8.250 nan 0.000 0.444 326 A N 1.106 124.030 122.820 0.174 0.000 2.070 326 A HA -0.127 4.192 4.320 -0.000 0.000 0.220 326 A C 1.718 179.473 177.584 0.284 0.000 1.159 326 A CA 1.233 53.410 52.037 0.234 0.000 0.656 326 A CB -0.305 18.793 19.000 0.163 0.000 0.800 326 A HN 0.292 nan 8.150 nan 0.000 0.453 327 E N 0.120 120.463 120.200 0.239 0.000 2.265 327 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 327 E C 1.626 178.353 176.600 0.211 0.000 0.996 327 E CA 0.732 57.280 56.400 0.248 0.000 0.832 327 E CB -0.269 29.602 29.700 0.286 0.000 0.756 327 E HN 0.720 nan 8.360 nan 0.000 0.491 328 L N -0.569 120.739 121.223 0.143 0.000 2.599 328 L HA 0.019 4.359 4.340 -0.000 0.000 0.230 328 L C 0.186 176.856 176.870 -0.334 0.000 1.141 328 L CA 0.270 55.060 54.840 -0.083 0.000 0.877 328 L CB -0.094 41.796 42.059 -0.281 0.000 1.009 328 L HN 0.005 nan 8.230 nan 0.000 0.447 329 Y N -1.751 118.631 120.300 0.136 0.000 2.602 329 Y HA 0.373 4.923 4.550 -0.000 0.000 0.342 329 Y C 1.096 177.107 175.900 0.184 0.000 1.029 329 Y CA -0.974 57.226 58.100 0.166 0.000 1.080 329 Y CB 1.247 39.816 38.460 0.183 0.000 1.284 329 Y HN -0.287 nan 8.280 nan 0.000 0.485 330 R N -0.488 120.244 120.500 0.387 0.000 2.254 330 R HA 0.085 4.425 4.340 -0.000 0.000 0.195 330 R C 0.314 176.736 176.300 0.204 0.000 0.957 330 R CA 0.737 56.971 56.100 0.224 0.000 1.024 330 R CB 0.271 30.636 30.300 0.109 0.000 0.952 330 R HN 0.762 nan 8.270 nan 0.000 0.484 331 T N -0.987 113.732 114.554 0.275 0.000 2.922 331 T HA 0.105 4.455 4.350 -0.000 0.000 0.281 331 T C 0.614 175.447 174.700 0.221 0.000 1.005 331 T CA -0.951 61.276 62.100 0.212 0.000 0.982 331 T CB 1.224 70.201 68.868 0.182 0.000 1.158 331 T HN 0.067 nan 8.240 nan 0.000 0.566 332 N N 0.082 118.884 118.700 0.170 0.000 2.346 332 N HA 0.137 4.877 4.740 -0.000 0.000 0.225 332 N C -0.706 174.813 175.510 0.014 0.000 1.144 332 N CA -0.360 52.758 53.050 0.113 0.000 0.837 332 N CB -0.202 38.231 38.487 -0.089 0.000 1.069 332 N HN 0.378 nan 8.380 nan 0.000 0.487 333 V N 1.212 121.159 119.914 0.054 0.000 2.409 333 V HA 0.424 4.544 4.120 -0.000 0.000 0.291 333 V C -0.664 175.522 176.094 0.153 0.000 1.020 333 V CA -0.971 61.362 62.300 0.053 0.000 0.848 333 V CB 1.578 33.404 31.823 0.006 0.000 0.990 333 V HN 0.181 nan 8.190 nan 0.000 0.430 334 L N 5.660 126.921 121.223 0.064 0.000 2.341 334 L HA 0.699 5.039 4.340 -0.000 0.000 0.278 334 L C -0.899 175.848 176.870 -0.206 0.000 1.005 334 L CA -0.490 54.304 54.840 -0.077 0.000 0.818 334 L CB 1.706 43.621 42.059 -0.241 0.000 1.259 334 L HN 0.630 nan 8.230 nan 0.000 0.418 335 L N 6.279 127.168 121.223 -0.557 0.000 2.264 335 L HA 0.562 4.902 4.340 -0.000 0.000 0.289 335 L C -1.022 175.567 176.870 -0.469 0.000 1.044 335 L CA 0.108 54.464 54.840 -0.807 0.000 0.807 335 L CB 0.817 41.921 42.059 -1.591 0.000 1.192 335 L HN 0.434 nan 8.230 nan 0.000 0.425 336 I N 7.368 127.746 120.570 -0.321 0.000 2.502 336 I HA 0.338 4.508 4.170 -0.000 0.000 0.276 336 I C -2.275 173.827 176.117 -0.026 0.000 1.057 336 I CA -2.037 59.168 61.300 -0.158 0.000 1.163 336 I CB 0.953 38.836 38.000 -0.196 0.000 1.288 336 I HN 0.418 nan 8.210 nan 0.000 0.479 337 P HA 0.132 nan 4.420 nan 0.000 0.267 337 P C -0.421 177.058 177.300 0.298 0.000 1.200 337 P CA -0.196 63.037 63.100 0.222 0.000 0.772 337 P CB 0.822 32.690 31.700 0.280 0.000 0.855 338 L N 2.727 124.169 121.223 0.366 0.000 2.492 338 L HA 0.748 5.087 4.340 -0.000 0.000 0.258 338 L C -0.121 176.826 176.870 0.130 0.000 1.028 338 L CA 0.396 55.377 54.840 0.234 0.000 0.900 338 L CB 0.471 42.603 42.059 0.122 0.000 1.191 338 L HN 0.613 nan 8.230 nan 0.000 0.459 339 G N 1.569 110.331 108.800 -0.062 0.000 2.342 339 G HA2 0.486 4.446 3.960 -0.000 0.000 0.297 339 G HA3 0.486 4.446 3.960 -0.000 0.000 0.297 339 G C -2.210 172.591 174.900 -0.165 0.000 1.313 339 G CA -0.237 44.580 45.100 -0.471 0.000 0.830 339 G HN 0.376 nan 8.290 nan 0.000 0.506 340 D N -1.749 118.606 120.400 -0.076 0.000 2.879 340 D HA 0.303 4.942 4.640 -0.000 0.000 0.346 340 D C -1.557 174.885 176.300 0.236 0.000 1.390 340 D CA -0.448 53.691 54.000 0.232 0.000 0.838 340 D CB 1.449 42.338 40.800 0.148 0.000 1.416 340 D HN 0.219 nan 8.370 nan 0.000 0.493 341 D N 0.397 120.995 120.400 0.330 0.000 2.417 341 D HA 0.233 4.873 4.640 -0.000 0.000 0.250 341 D C 0.209 176.678 176.300 0.282 0.000 1.166 341 D CA 0.445 54.629 54.000 0.305 0.000 0.881 341 D CB -0.232 40.845 40.800 0.462 0.000 1.164 341 D HN 0.342 nan 8.370 nan 0.000 0.467 342 F N 0.281 120.295 119.950 0.107 0.000 3.079 342 F HA -0.305 4.222 4.527 -0.000 0.000 0.274 342 F C 1.105 176.946 175.800 0.069 0.000 0.940 342 F CA 0.596 58.637 58.000 0.068 0.000 0.932 342 F CB -0.927 38.106 39.000 0.055 0.000 0.891 342 F HN 0.223 nan 8.300 nan 0.000 0.722 343 R N -0.460 120.125 120.500 0.142 0.000 2.652 343 R HA 0.452 4.792 4.340 -0.000 0.000 0.271 343 R C 0.718 177.045 176.300 0.045 0.000 1.129 343 R CA -0.642 55.429 56.100 -0.048 0.000 1.200 343 R CB -0.088 30.081 30.300 -0.220 0.000 1.146 343 R HN 0.202 nan 8.270 nan 0.000 0.581 344 F N -0.762 119.022 119.950 -0.277 0.000 3.071 344 F HA -0.276 4.250 4.527 -0.001 0.000 0.295 344 F C 1.331 177.073 175.800 -0.096 0.000 0.919 344 F CA 1.018 58.651 58.000 -0.611 0.000 1.050 344 F CB -1.082 37.273 39.000 -1.075 0.000 1.040 344 F HN 0.608 nan 8.300 nan 0.000 0.692 345 K N -0.032 120.411 120.400 0.071 0.000 2.102 345 K HA 0.051 4.371 4.320 -0.000 0.000 0.206 345 K C 0.677 177.411 176.600 0.223 0.000 1.031 345 K CA 0.691 57.094 56.287 0.193 0.000 0.962 345 K CB 0.170 32.752 32.500 0.135 0.000 0.811 345 K HN 0.282 nan 8.250 nan 0.000 0.453 346 Q N 1.460 121.356 119.800 0.160 0.000 2.373 346 Q HA 0.094 4.434 4.340 -0.000 0.000 0.255 346 Q C 0.578 176.747 176.000 0.282 0.000 0.980 346 Q CA -0.093 55.826 55.803 0.194 0.000 0.882 346 Q CB 0.936 29.826 28.738 0.254 0.000 1.249 346 Q HN 0.253 nan 8.270 nan 0.000 0.438 347 N N 0.684 119.518 118.700 0.224 0.000 2.149 347 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 347 N C 1.393 177.042 175.510 0.231 0.000 1.019 347 N CA 1.908 55.090 53.050 0.221 0.000 0.857 347 N CB -0.259 38.311 38.487 0.139 0.000 0.997 347 N HN 0.771 nan 8.380 nan 0.000 0.426 348 T N -1.174 113.518 114.554 0.229 0.000 2.915 348 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 348 T C 1.688 176.583 174.700 0.324 0.000 1.071 348 T CA 1.014 63.274 62.100 0.267 0.000 1.132 348 T CB -0.024 68.990 68.868 0.244 0.000 0.878 348 T HN 0.332 nan 8.240 nan 0.000 0.479 349 E N -0.225 120.111 120.200 0.228 0.000 2.072 349 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 349 E C 1.759 178.265 176.600 -0.155 0.000 0.982 349 E CA 0.602 56.908 56.400 -0.155 0.000 0.803 349 E CB -0.239 29.195 29.700 -0.444 0.000 0.755 349 E HN 0.692 nan 8.360 nan 0.000 0.453 350 W N 1.834 123.041 121.300 -0.156 0.000 2.335 350 W HA -0.197 4.463 4.660 -0.000 0.000 0.311 350 W C 2.103 178.471 176.519 -0.251 0.000 1.213 350 W CA 1.329 58.497 57.345 -0.295 0.000 1.274 350 W CB -0.284 28.661 29.460 -0.859 0.000 1.148 350 W HN 0.187 nan 8.180 nan 0.000 0.498 351 D N -0.622 119.855 120.400 0.128 0.000 2.117 351 D HA -0.162 4.477 4.640 -0.000 0.000 0.198 351 D C 2.296 178.690 176.300 0.157 0.000 0.982 351 D CA 1.379 55.513 54.000 0.224 0.000 0.828 351 D CB -0.931 40.004 40.800 0.225 0.000 0.967 351 D HN 0.021 nan 8.370 nan 0.000 0.464 352 V N 0.903 120.892 119.914 0.126 0.000 2.427 352 V HA -0.202 3.917 4.120 -0.000 0.000 0.248 352 V C 2.195 178.325 176.094 0.059 0.000 1.051 352 V CA 1.541 63.897 62.300 0.094 0.000 1.048 352 V CB -0.049 31.878 31.823 0.174 0.000 0.666 352 V HN 0.149 nan 8.190 nan 0.000 0.456 353 Q N -0.333 119.538 119.800 0.119 0.000 2.020 353 Q HA -0.174 4.166 4.340 -0.000 0.000 0.198 353 Q C 2.354 178.556 176.000 0.338 0.000 0.974 353 Q CA 1.796 57.764 55.803 0.276 0.000 0.829 353 Q CB -0.480 28.401 28.738 0.239 0.000 0.894 353 Q HN 0.598 nan 8.270 nan 0.000 0.433 354 R N 0.478 121.156 120.500 0.297 0.000 2.083 354 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 354 R C 2.234 178.716 176.300 0.304 0.000 1.137 354 R CA 1.430 57.764 56.100 0.390 0.000 0.951 354 R CB -0.079 30.461 30.300 0.399 0.000 0.851 354 R HN 0.064 nan 8.270 nan 0.000 0.434 355 V N 1.824 121.833 119.914 0.157 0.000 2.427 355 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 355 V C 1.986 178.025 176.094 -0.090 0.000 1.051 355 V CA 1.779 64.114 62.300 0.058 0.000 1.048 355 V CB -0.569 31.278 31.823 0.040 0.000 0.666 355 V HN 0.433 nan 8.190 nan 0.000 0.456 356 N N -0.685 117.847 118.700 -0.279 0.000 2.142 356 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 356 N C 1.864 177.052 175.510 -0.537 0.000 1.023 356 N CA 1.552 54.218 53.050 -0.640 0.000 0.852 356 N CB -0.299 37.195 38.487 -1.655 0.000 0.998 356 N HN 0.507 nan 8.380 nan 0.000 0.424 357 Y N 2.040 122.137 120.300 -0.339 0.000 2.181 357 Y HA -0.095 4.454 4.550 -0.001 0.000 0.288 357 Y C 2.398 177.808 175.900 -0.817 0.000 1.146 357 Y CA 1.101 58.874 58.100 -0.544 0.000 1.164 357 Y CB -0.170 38.060 38.460 -0.384 0.000 0.982 357 Y HN 0.130 nan 8.280 nan 0.000 0.515 358 E N -0.214 119.865 120.200 -0.203 0.000 2.085 358 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 358 E C 2.240 178.797 176.600 -0.071 0.000 0.994 358 E CA 1.194 57.553 56.400 -0.068 0.000 0.801 358 E CB -0.159 29.614 29.700 0.123 0.000 0.743 358 E HN 0.468 nan 8.360 nan 0.000 0.453 359 R N 0.314 120.748 120.500 -0.109 0.000 2.081 359 R HA -0.110 4.229 4.340 -0.000 0.000 0.235 359 R C 2.494 178.766 176.300 -0.047 0.000 1.131 359 R CA 0.936 56.998 56.100 -0.063 0.000 0.960 359 R CB -0.311 29.931 30.300 -0.097 0.000 0.856 359 R HN 0.167 nan 8.270 nan 0.000 0.436 360 L N -0.372 120.755 121.223 -0.161 0.000 2.017 360 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 360 L C 2.191 179.103 176.870 0.069 0.000 1.073 360 L CA 1.213 55.993 54.840 -0.099 0.000 0.745 360 L CB -0.452 41.459 42.059 -0.248 0.000 0.894 360 L HN 0.073 nan 8.230 nan 0.000 0.432 361 F N 0.241 120.209 119.950 0.029 0.000 2.134 361 F HA -0.205 4.321 4.527 -0.000 0.000 0.299 361 F C 2.640 178.449 175.800 0.015 0.000 1.097 361 F CA 1.272 59.277 58.000 0.008 0.000 1.264 361 F CB -0.970 37.992 39.000 -0.064 0.000 1.001 361 F HN 0.204 nan 8.300 nan 0.000 0.479 362 E N -0.669 119.660 120.200 0.214 0.000 2.058 362 E HA -0.302 4.047 4.350 -0.000 0.000 0.194 362 E C 2.211 178.895 176.600 0.139 0.000 0.997 362 E CA 1.614 58.100 56.400 0.144 0.000 0.801 362 E CB -0.245 29.525 29.700 0.116 0.000 0.746 362 E HN 0.518 nan 8.360 nan 0.000 0.450 363 H N 0.162 119.282 119.070 0.083 0.000 2.299 363 H HA -0.052 4.504 4.556 -0.000 0.000 0.302 363 H C 2.077 177.493 175.328 0.146 0.000 1.078 363 H CA 2.193 58.303 56.048 0.104 0.000 1.323 363 H CB -0.188 29.631 29.762 0.094 0.000 1.381 363 H HN 0.146 nan 8.280 nan 0.000 0.498 364 I N 0.489 121.142 120.570 0.139 0.000 2.163 364 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 364 I C 1.739 177.891 176.117 0.059 0.000 1.085 364 I CA 1.416 62.758 61.300 0.069 0.000 1.347 364 I CB -0.325 37.650 38.000 -0.041 0.000 1.044 364 I HN 0.373 nan 8.210 nan 0.000 0.408 365 N N 0.331 119.055 118.700 0.040 0.000 2.381 365 N HA -0.111 4.629 4.740 -0.000 0.000 0.182 365 N C 1.799 177.297 175.510 -0.020 0.000 1.025 365 N CA 1.512 54.561 53.050 -0.002 0.000 0.888 365 N CB -0.245 38.233 38.487 -0.014 0.000 0.965 365 N HN 0.410 nan 8.380 nan 0.000 0.438 366 S N -0.991 114.688 115.700 -0.036 0.000 2.556 366 S HA 0.157 4.626 4.470 -0.000 0.000 0.216 366 S C 0.419 174.962 174.600 -0.095 0.000 0.970 366 S CA -0.257 57.912 58.200 -0.051 0.000 0.912 366 S CB 0.306 63.487 63.200 -0.031 0.000 0.790 366 S HN -0.037 nan 8.310 nan 0.000 0.504 367 Q N 1.313 121.024 119.800 -0.147 0.000 2.465 367 Q HA 0.547 4.887 4.340 -0.000 0.000 0.237 367 Q C 0.865 176.695 176.000 -0.284 0.000 1.051 367 Q CA 0.065 55.715 55.803 -0.254 0.000 0.874 367 Q CB 1.251 29.700 28.738 -0.482 0.000 1.207 367 Q HN 0.430 nan 8.270 nan 0.000 0.508 368 A N 2.656 125.395 122.820 -0.134 0.000 1.978 368 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 368 A C 1.594 179.117 177.584 -0.102 0.000 1.170 368 A CA 2.062 54.052 52.037 -0.078 0.000 0.636 368 A CB -0.678 18.311 19.000 -0.019 0.000 0.810 368 A HN 0.877 nan 8.150 nan 0.000 0.448 369 H N -3.285 115.713 119.070 -0.120 0.000 2.489 369 H HA -0.038 4.518 4.556 -0.001 0.000 0.293 369 H C 1.332 176.606 175.328 -0.090 0.000 1.066 369 H CA 1.526 57.490 56.048 -0.139 0.000 1.305 369 H CB -0.603 29.017 29.762 -0.236 0.000 1.386 369 H HN 0.421 nan 8.280 nan 0.000 0.551 370 F N 0.842 120.537 119.950 -0.426 0.000 2.367 370 F HA 0.036 4.563 4.527 -0.001 0.000 0.298 370 F C 0.728 176.481 175.800 -0.078 0.000 1.094 370 F CA 0.566 58.452 58.000 -0.189 0.000 1.409 370 F CB -0.297 38.555 39.000 -0.247 0.000 1.064 370 F HN 0.159 nan 8.300 nan 0.000 0.528 371 N N 0.596 119.352 118.700 0.093 0.000 2.725 371 N HA -0.166 4.574 4.740 -0.000 0.000 0.251 371 N C -1.003 174.496 175.510 -0.019 0.000 1.031 371 N CA 0.451 53.540 53.050 0.064 0.000 0.720 371 N CB -1.508 37.068 38.487 0.148 0.000 0.930 371 N HN 0.036 nan 8.380 nan 0.000 0.543 372 V N 0.579 120.476 119.914 -0.028 0.000 2.735 372 V HA 0.413 4.532 4.120 -0.000 0.000 0.310 372 V C 0.148 176.171 176.094 -0.117 0.000 1.061 372 V CA -0.674 61.559 62.300 -0.111 0.000 0.913 372 V CB 2.480 34.263 31.823 -0.067 0.000 1.005 372 V HN 0.181 nan 8.190 nan 0.000 0.428 373 Q N 2.996 122.674 119.800 -0.204 0.000 2.339 373 Q HA 0.757 5.097 4.340 -0.000 0.000 0.268 373 Q C -0.808 174.952 176.000 -0.400 0.000 1.027 373 Q CA -0.138 55.518 55.803 -0.244 0.000 0.759 373 Q CB 1.622 30.222 28.738 -0.230 0.000 1.244 373 Q HN 1.000 nan 8.270 nan 0.000 0.464 374 A N 4.296 126.869 122.820 -0.411 0.000 2.350 374 A HA 0.912 5.232 4.320 -0.000 0.000 0.324 374 A C -1.226 175.707 177.584 -1.085 0.000 1.118 374 A CA -0.527 51.103 52.037 -0.678 0.000 0.783 374 A CB 1.269 20.065 19.000 -0.340 0.000 1.236 374 A HN 0.766 nan 8.150 nan 0.000 0.457 375 Q N 1.045 120.096 119.800 -1.248 0.000 2.522 375 Q HA 0.454 4.793 4.340 -0.000 0.000 0.285 375 Q C -1.652 173.904 176.000 -0.740 0.000 0.982 375 Q CA -0.703 54.383 55.803 -1.196 0.000 0.805 375 Q CB 0.519 28.929 28.738 -0.547 0.000 1.457 375 Q HN 0.384 nan 8.270 nan 0.000 0.394 376 F N 0.592 120.425 119.950 -0.196 0.000 2.563 376 F HA 0.590 5.117 4.527 -0.000 0.000 0.363 376 F C 1.266 177.102 175.800 0.060 0.000 1.123 376 F CA 1.528 59.554 58.000 0.044 0.000 1.307 376 F CB 0.738 39.825 39.000 0.145 0.000 1.115 376 F HN 0.754 nan 8.300 nan 0.000 0.592 377 G N 0.336 109.317 108.800 0.301 0.000 2.687 377 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 377 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 377 G C -1.088 173.820 174.900 0.013 0.000 1.420 377 G CA -0.588 44.632 45.100 0.200 0.000 0.796 377 G HN 0.716 nan 8.290 nan 0.000 0.485 378 T N -1.952 112.533 114.554 -0.115 0.000 2.938 378 T HA 0.480 4.830 4.350 -0.000 0.000 0.285 378 T C 1.249 175.800 174.700 -0.248 0.000 1.028 378 T CA -0.465 61.525 62.100 -0.182 0.000 1.005 378 T CB 1.554 70.326 68.868 -0.159 0.000 1.157 378 T HN 0.561 nan 8.240 nan 0.000 0.550 379 L N 0.539 121.614 121.223 -0.246 0.000 2.046 379 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 379 L C 2.761 179.589 176.870 -0.070 0.000 1.077 379 L CA 1.981 56.703 54.840 -0.195 0.000 0.747 379 L CB -1.129 40.857 42.059 -0.122 0.000 0.896 379 L HN 0.898 nan 8.230 nan 0.000 0.432 380 Q N -0.118 119.669 119.800 -0.022 0.000 2.124 380 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 380 Q C 2.074 178.009 176.000 -0.109 0.000 0.977 380 Q CA 1.902 57.725 55.803 0.034 0.000 0.850 380 Q CB -0.160 28.571 28.738 -0.012 0.000 0.901 380 Q HN 0.627 nan 8.270 nan 0.000 0.429 381 E N -1.169 118.877 120.200 -0.257 0.000 2.077 381 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 381 E C 1.676 177.827 176.600 -0.749 0.000 0.989 381 E CA 1.189 57.309 56.400 -0.465 0.000 0.800 381 E CB -0.304 29.055 29.700 -0.570 0.000 0.746 381 E HN 0.485 nan 8.360 nan 0.000 0.452 382 Y N 0.628 120.391 120.300 -0.895 0.000 2.070 382 Y HA -0.285 4.265 4.550 -0.000 0.000 0.280 382 Y C 1.911 177.509 175.900 -0.504 0.000 1.148 382 Y CA 1.704 59.311 58.100 -0.822 0.000 1.125 382 Y CB -0.527 37.487 38.460 -0.744 0.000 0.975 382 Y HN -0.056 nan 8.280 nan 0.000 0.492 383 F N 0.914 120.601 119.950 -0.439 0.000 2.171 383 F HA -0.180 4.347 4.527 -0.001 0.000 0.300 383 F C 2.232 177.787 175.800 -0.408 0.000 1.090 383 F CA 1.752 59.466 58.000 -0.477 0.000 1.293 383 F CB -0.831 38.085 39.000 -0.140 0.000 1.013 383 F HN 0.114 nan 8.300 nan 0.000 0.486 384 D N -0.017 120.321 120.400 -0.102 0.000 2.117 384 D HA -0.149 4.490 4.640 -0.000 0.000 0.197 384 D C 2.349 178.563 176.300 -0.143 0.000 0.987 384 D CA 1.457 55.406 54.000 -0.084 0.000 0.829 384 D CB -0.552 40.188 40.800 -0.099 0.000 0.961 384 D HN 0.239 nan 8.370 nan 0.000 0.460 385 A N 0.384 123.058 122.820 -0.244 0.000 1.930 385 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 385 A C 2.500 179.955 177.584 -0.214 0.000 1.175 385 A CA 0.845 52.785 52.037 -0.162 0.000 0.627 385 A CB -0.587 18.383 19.000 -0.050 0.000 0.815 385 A HN 0.132 nan 8.150 nan 0.000 0.443 386 V N -0.146 119.503 119.914 -0.441 0.000 2.295 386 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 386 V C 2.422 178.323 176.094 -0.322 0.000 1.049 386 V CA 2.123 64.164 62.300 -0.432 0.000 1.024 386 V CB -0.983 30.408 31.823 -0.721 0.000 0.648 386 V HN 0.650 nan 8.190 nan 0.000 0.447 387 H N -0.294 118.661 119.070 -0.192 0.000 2.462 387 H HA -0.063 4.492 4.556 -0.001 0.000 0.292 387 H C 2.409 177.700 175.328 -0.062 0.000 1.049 387 H CA 1.279 57.244 56.048 -0.138 0.000 1.334 387 H CB -0.087 29.552 29.762 -0.205 0.000 1.404 387 H HN 0.548 nan 8.280 nan 0.000 0.544 388 Q N 0.316 120.131 119.800 0.024 0.000 2.084 388 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 388 Q C 2.544 178.558 176.000 0.024 0.000 0.978 388 Q CA 1.365 57.178 55.803 0.016 0.000 0.844 388 Q CB -0.010 28.725 28.738 -0.005 0.000 0.898 388 Q HN 0.408 nan 8.270 nan 0.000 0.426 389 A N 1.078 123.908 122.820 0.017 0.000 1.877 389 A HA -0.267 4.053 4.320 -0.000 0.000 0.216 389 A C 1.961 179.577 177.584 0.052 0.000 1.186 389 A CA 1.637 53.697 52.037 0.039 0.000 0.620 389 A CB -0.573 18.454 19.000 0.046 0.000 0.822 389 A HN 0.453 nan 8.150 nan 0.000 0.443 390 E N -0.207 120.044 120.200 0.086 0.000 2.051 390 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 390 E C 2.220 178.864 176.600 0.072 0.000 0.991 390 E CA 1.183 57.645 56.400 0.104 0.000 0.799 390 E CB -0.150 29.730 29.700 0.299 0.000 0.748 390 E HN 0.583 nan 8.360 nan 0.000 0.449 391 R N -0.276 120.267 120.500 0.072 0.000 2.148 391 R HA -0.041 4.299 4.340 -0.000 0.000 0.227 391 R C 2.054 178.371 176.300 0.029 0.000 1.103 391 R CA 0.849 56.975 56.100 0.044 0.000 0.983 391 R CB -0.111 30.210 30.300 0.034 0.000 0.874 391 R HN 0.131 nan 8.270 nan 0.000 0.451 392 A N 0.120 122.957 122.820 0.029 0.000 2.238 392 A HA 0.211 4.531 4.320 -0.000 0.000 0.208 392 A C 1.254 178.850 177.584 0.020 0.000 1.177 392 A CA 0.720 52.771 52.037 0.023 0.000 0.804 392 A CB -0.040 18.977 19.000 0.028 0.000 0.823 392 A HN 0.428 nan 8.150 nan 0.000 0.482 393 G N -0.378 108.431 108.800 0.015 0.000 2.132 393 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.228 393 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.228 393 G C 0.682 175.578 174.900 -0.007 0.000 1.000 393 G CA 0.651 45.753 45.100 0.002 0.000 0.693 393 G HN 0.929 nan 8.290 nan 0.000 0.515 394 Q N -0.583 119.218 119.800 0.001 0.000 2.408 394 Q HA 0.666 5.006 4.340 -0.000 0.000 0.205 394 Q C 0.889 176.865 176.000 -0.039 0.000 0.919 394 Q CA 1.291 57.099 55.803 0.008 0.000 0.932 394 Q CB 0.406 29.184 28.738 0.066 0.000 1.058 394 Q HN 1.644 nan 8.270 nan 0.000 0.517 395 A N 0.943 123.695 122.820 -0.113 0.000 2.589 395 A HA 0.551 4.870 4.320 -0.000 0.000 0.296 395 A C -1.765 175.596 177.584 -0.372 0.000 1.062 395 A CA -1.004 50.868 52.037 -0.276 0.000 0.686 395 A CB 1.378 20.131 19.000 -0.412 0.000 1.282 395 A HN 0.391 nan 8.150 nan 0.000 0.404 396 E N 0.769 120.733 120.200 -0.393 0.000 2.248 396 E HA 0.720 5.070 4.350 -0.000 0.000 0.267 396 E C -1.582 174.823 176.600 -0.324 0.000 0.877 396 E CA -0.563 55.672 56.400 -0.275 0.000 0.759 396 E CB 1.828 31.480 29.700 -0.081 0.000 1.182 396 E HN 0.338 nan 8.360 nan 0.000 0.418 397 F N 2.107 122.161 119.950 0.175 0.000 2.425 397 F HA 0.419 4.946 4.527 0.000 0.000 0.331 397 F C -1.817 174.081 175.800 0.162 0.000 1.085 397 F CA -2.370 55.753 58.000 0.206 0.000 1.028 397 F CB 0.979 40.177 39.000 0.330 0.000 1.177 397 F HN 0.359 nan 8.300 nan 0.000 0.487 398 P HA 0.180 nan 4.420 nan 0.000 0.274 398 P C -0.651 176.787 177.300 0.230 0.000 1.237 398 P CA -0.386 62.842 63.100 0.214 0.000 0.793 398 P CB 0.877 32.671 31.700 0.156 0.000 0.977 399 T N -0.586 114.055 114.554 0.145 0.000 2.907 399 T HA 0.671 5.021 4.350 -0.000 0.000 0.284 399 T C -0.272 174.457 174.700 0.049 0.000 1.004 399 T CA -0.787 61.390 62.100 0.130 0.000 1.063 399 T CB 1.010 69.933 68.868 0.092 0.000 0.992 399 T HN 0.458 nan 8.240 nan 0.000 0.483 400 L N 1.780 123.031 121.223 0.047 0.000 2.445 400 L HA 0.734 5.073 4.340 -0.000 0.000 0.262 400 L C -0.677 176.183 176.870 -0.018 0.000 0.974 400 L CA -0.447 54.310 54.840 -0.138 0.000 0.822 400 L CB 2.213 43.938 42.059 -0.556 0.000 1.339 400 L HN 1.106 nan 8.230 nan 0.000 0.409 401 S N 2.378 118.022 115.700 -0.094 0.000 2.599 401 S HA 1.060 5.530 4.470 -0.000 0.000 0.287 401 S C -0.332 174.192 174.600 -0.126 0.000 1.105 401 S CA -0.021 58.182 58.200 0.005 0.000 0.899 401 S CB 2.049 65.222 63.200 -0.044 0.000 1.100 401 S HN 1.669 nan 8.310 nan 0.000 0.482 402 G N 0.996 109.782 108.800 -0.023 0.000 2.316 402 G HA2 0.323 4.283 3.960 -0.000 0.000 0.349 402 G HA3 0.323 4.283 3.960 -0.000 0.000 0.349 402 G C -1.818 172.993 174.900 -0.149 0.000 1.274 402 G CA -0.010 44.977 45.100 -0.188 0.000 1.018 402 G HN 1.286 nan 8.290 nan 0.000 0.486 403 D N -1.716 118.462 120.400 -0.371 0.000 2.585 403 D HA 0.751 5.391 4.640 -0.000 0.000 0.254 403 D C -0.708 175.107 176.300 -0.808 0.000 1.067 403 D CA -1.043 52.762 54.000 -0.324 0.000 1.090 403 D CB 1.180 41.981 40.800 0.002 0.000 1.408 403 D HN 0.389 nan 8.370 nan 0.000 0.554 404 F N -0.383 119.456 119.950 -0.184 0.000 2.679 404 F HA 0.398 4.925 4.527 -0.001 0.000 0.354 404 F C -0.953 174.689 175.800 -0.265 0.000 1.423 404 F CA -0.634 57.256 58.000 -0.183 0.000 1.141 404 F CB 0.190 39.108 39.000 -0.137 0.000 1.168 404 F HN 0.006 nan 8.300 nan 0.000 0.530 405 F N -0.701 119.438 119.950 0.314 0.000 2.561 405 F HA 0.556 5.083 4.527 -0.000 0.000 0.321 405 F C 0.606 176.667 175.800 0.435 0.000 1.065 405 F CA -1.388 56.862 58.000 0.416 0.000 0.934 405 F CB 1.602 40.840 39.000 0.396 0.000 1.215 405 F HN -0.281 nan 8.300 nan 0.000 0.471 406 T N 1.975 116.908 114.554 0.632 0.000 2.806 406 T HA 0.149 4.499 4.350 -0.000 0.000 0.290 406 T C -0.880 174.280 174.700 0.766 0.000 0.966 406 T CA -0.160 62.376 62.100 0.727 0.000 1.060 406 T CB 0.053 69.214 68.868 0.487 0.000 0.927 406 T HN 0.364 nan 8.240 nan 0.000 0.485 407 Y N 3.058 123.685 120.300 0.545 0.000 2.497 407 Y HA 0.407 4.957 4.550 -0.001 0.000 0.334 407 Y C -0.099 175.859 175.900 0.098 0.000 1.199 407 Y CA -1.116 57.136 58.100 0.252 0.000 1.425 407 Y CB 0.116 38.607 38.460 0.051 0.000 1.291 407 Y HN 0.682 nan 8.280 nan 0.000 0.562 408 A N 5.077 127.463 122.820 -0.724 0.000 2.374 408 A HA 0.375 4.694 4.320 -0.000 0.000 0.305 408 A C -0.042 176.905 177.584 -1.063 0.000 1.053 408 A CA -0.252 51.192 52.037 -0.989 0.000 0.726 408 A CB 0.727 18.910 19.000 -1.362 0.000 1.229 408 A HN 0.799 nan 8.150 nan 0.000 0.431 409 D N 1.443 121.367 120.400 -0.794 0.000 2.327 409 D HA 0.055 4.694 4.640 -0.000 0.000 0.205 409 D C 0.528 176.823 176.300 -0.008 0.000 0.989 409 D CA 0.578 54.367 54.000 -0.352 0.000 0.873 409 D CB 0.150 40.863 40.800 -0.145 0.000 0.955 409 D HN 0.728 nan 8.370 nan 0.000 0.515 410 R N -2.375 118.064 120.500 -0.102 0.000 2.687 410 R HA 0.426 4.766 4.340 -0.000 0.000 0.265 410 R C -0.202 175.982 176.300 -0.194 0.000 1.048 410 R CA -0.269 55.632 56.100 -0.333 0.000 0.884 410 R CB 0.838 31.021 30.300 -0.195 0.000 1.258 410 R HN -0.112 nan 8.270 nan 0.000 0.469 411 S N 0.175 115.718 115.700 -0.262 0.000 3.938 411 S HA -0.282 4.188 4.470 -0.000 0.000 0.624 411 S C 0.347 175.018 174.600 0.119 0.000 2.186 411 S CA 1.876 60.062 58.200 -0.023 0.000 4.144 411 S CB -1.047 62.127 63.200 -0.043 0.000 0.230 411 S HN 1.095 nan 8.310 nan 0.000 0.755 412 D N 1.414 121.876 120.400 0.102 0.000 2.427 412 D HA 0.195 4.834 4.640 -0.000 0.000 0.224 412 D C 0.007 176.411 176.300 0.173 0.000 1.157 412 D CA -0.124 54.002 54.000 0.209 0.000 0.828 412 D CB -1.386 39.524 40.800 0.184 0.000 0.974 412 D HN 0.493 nan 8.370 nan 0.000 0.498 413 N N 0.944 119.649 118.700 0.008 0.000 2.807 413 N HA 0.061 4.800 4.740 -0.000 0.000 0.259 413 N C -0.952 174.573 175.510 0.026 0.000 1.149 413 N CA -0.335 52.725 53.050 0.017 0.000 1.042 413 N CB 0.192 38.676 38.487 -0.006 0.000 1.367 413 N HN 0.128 nan 8.380 nan 0.000 0.516 414 Y N 0.281 120.665 120.300 0.140 0.000 2.313 414 Y HA 0.125 4.675 4.550 -0.001 0.000 0.332 414 Y C 0.069 176.162 175.900 0.321 0.000 1.071 414 Y CA -0.658 57.585 58.100 0.238 0.000 1.169 414 Y CB 0.597 39.146 38.460 0.149 0.000 1.192 414 Y HN 0.405 nan 8.280 nan 0.000 0.487 415 W N 2.458 123.888 121.300 0.216 0.000 1.809 415 W HA 0.237 4.897 4.660 -0.000 0.000 0.399 415 W C 0.849 177.406 176.519 0.063 0.000 0.636 415 W CA -0.633 56.867 57.345 0.257 0.000 2.178 415 W CB -0.415 29.304 29.460 0.431 0.000 1.632 415 W HN 0.558 nan 8.180 nan 0.000 0.470 416 S N -2.048 113.675 115.700 0.037 0.000 2.535 416 S HA 0.119 4.588 4.470 -0.000 0.000 0.214 416 S C 1.958 176.280 174.600 -0.463 0.000 0.980 416 S CA 0.366 58.219 58.200 -0.578 0.000 0.907 416 S CB 0.143 63.332 63.200 -0.018 0.000 0.790 416 S HN 0.340 nan 8.310 nan 0.000 0.510 417 G N 1.957 110.687 108.800 -0.116 0.000 2.422 417 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 417 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 417 G C 1.260 176.128 174.900 -0.053 0.000 1.146 417 G CA 0.908 45.949 45.100 -0.099 0.000 0.769 417 G HN 0.801 nan 8.290 nan 0.000 0.547 418 Y N -0.587 119.674 120.300 -0.064 0.000 2.616 418 Y HA 0.160 4.710 4.550 -0.001 0.000 0.296 418 Y C 1.851 177.868 175.900 0.194 0.000 1.154 418 Y CA -0.386 57.755 58.100 0.070 0.000 1.325 418 Y CB -0.369 38.206 38.460 0.192 0.000 1.007 418 Y HN 0.171 nan 8.280 nan 0.000 0.542 419 Y N 0.700 120.774 120.300 -0.378 0.000 2.483 419 Y HA -0.052 4.498 4.550 -0.001 0.000 0.291 419 Y C 1.726 177.577 175.900 -0.082 0.000 1.143 419 Y CA 0.709 58.633 58.100 -0.293 0.000 1.289 419 Y CB -0.783 37.540 38.460 -0.228 0.000 0.983 419 Y HN 0.306 nan 8.280 nan 0.000 0.556 420 T N -2.721 111.896 114.554 0.106 0.000 2.966 420 T HA 0.086 4.436 4.350 -0.000 0.000 0.254 420 T C 0.703 175.488 174.700 0.141 0.000 0.961 420 T CA -0.079 62.086 62.100 0.109 0.000 0.915 420 T CB 0.062 68.963 68.868 0.055 0.000 1.186 420 T HN -0.068 nan 8.240 nan 0.000 0.505 421 S N 2.461 118.242 115.700 0.136 0.000 2.558 421 S HA 0.228 4.698 4.470 -0.000 0.000 0.293 421 S C 0.379 175.111 174.600 0.221 0.000 1.292 421 S CA -0.044 58.247 58.200 0.152 0.000 1.063 421 S CB 0.124 63.400 63.200 0.127 0.000 0.831 421 S HN 0.392 nan 8.310 nan 0.000 0.499 422 R N 1.044 121.691 120.500 0.245 0.000 3.209 422 R HA -0.118 4.221 4.340 -0.000 0.000 0.252 422 R C -2.044 174.506 176.300 0.417 0.000 0.958 422 R CA 0.650 56.970 56.100 0.368 0.000 0.651 422 R CB -1.866 28.680 30.300 0.409 0.000 1.142 422 R HN 0.501 nan 8.270 nan 0.000 0.441 423 P HA -0.213 nan 4.420 nan 0.000 0.223 423 P C 1.123 178.636 177.300 0.355 0.000 1.151 423 P CA 0.922 64.241 63.100 0.365 0.000 0.787 423 P CB -0.013 31.945 31.700 0.430 0.000 0.788 424 Y N 1.560 121.951 120.300 0.151 0.000 2.128 424 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 424 Y C 2.306 178.198 175.900 -0.014 0.000 1.154 424 Y CA 2.098 60.202 58.100 0.005 0.000 1.149 424 Y CB -0.959 37.375 38.460 -0.210 0.000 0.976 424 Y HN 0.062 nan 8.280 nan 0.000 0.505 425 H N -0.840 118.488 119.070 0.429 0.000 2.470 425 H HA 0.012 4.568 4.556 -0.000 0.000 0.289 425 H C 2.060 177.553 175.328 0.275 0.000 1.033 425 H CA 1.258 57.483 56.048 0.296 0.000 1.331 425 H CB -0.061 29.947 29.762 0.409 0.000 1.414 425 H HN 0.250 nan 8.280 nan 0.000 0.545 426 K N 0.384 121.016 120.400 0.386 0.000 2.057 426 K HA -0.167 4.152 4.320 -0.000 0.000 0.207 426 K C 2.261 178.930 176.600 0.114 0.000 1.049 426 K CA 1.280 57.729 56.287 0.270 0.000 0.931 426 K CB 0.048 32.683 32.500 0.224 0.000 0.714 426 K HN 0.031 nan 8.250 nan 0.000 0.440 427 R N 1.392 121.932 120.500 0.066 0.000 2.075 427 R HA -0.021 4.318 4.340 -0.000 0.000 0.232 427 R C 2.059 178.138 176.300 -0.369 0.000 1.126 427 R CA 1.470 57.540 56.100 -0.049 0.000 0.963 427 R CB -0.428 29.940 30.300 0.113 0.000 0.858 427 R HN 0.168 nan 8.270 nan 0.000 0.435 428 M N 0.228 119.489 119.600 -0.566 0.000 2.149 428 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 428 M C 1.423 177.411 176.300 -0.520 0.000 1.064 428 M CA 2.388 57.111 55.300 -0.961 0.000 1.102 428 M CB -0.304 31.928 32.600 -0.613 0.000 1.369 428 M HN 0.280 nan 8.290 nan 0.000 0.408 429 D N -0.234 120.046 120.400 -0.200 0.000 2.104 429 D HA -0.213 4.427 4.640 -0.000 0.000 0.194 429 D C 1.893 178.119 176.300 -0.123 0.000 0.994 429 D CA 1.423 55.401 54.000 -0.037 0.000 0.830 429 D CB 0.122 41.050 40.800 0.213 0.000 0.959 429 D HN 0.210 nan 8.370 nan 0.000 0.452 430 R N 0.019 120.422 120.500 -0.161 0.000 2.115 430 R HA 0.004 4.344 4.340 -0.000 0.000 0.226 430 R C 2.393 178.549 176.300 -0.240 0.000 1.100 430 R CA 0.374 56.369 56.100 -0.174 0.000 0.980 430 R CB -0.867 29.346 30.300 -0.144 0.000 0.875 430 R HN 0.261 nan 8.270 nan 0.000 0.445 431 V N 1.454 121.154 119.914 -0.356 0.000 2.270 431 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 431 V C 2.357 178.322 176.094 -0.214 0.000 1.043 431 V CA 1.471 63.550 62.300 -0.369 0.000 1.014 431 V CB -0.570 30.837 31.823 -0.694 0.000 0.645 431 V HN 0.135 nan 8.190 nan 0.000 0.447 432 L N -0.367 120.723 121.223 -0.223 0.000 2.083 432 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 432 L C 2.313 179.130 176.870 -0.089 0.000 1.083 432 L CA 2.025 56.809 54.840 -0.095 0.000 0.752 432 L CB -0.677 41.304 42.059 -0.131 0.000 0.899 432 L HN 0.330 nan 8.230 nan 0.000 0.433 433 M N -1.292 118.230 119.600 -0.131 0.000 2.089 433 M HA -0.338 4.141 4.480 -0.000 0.000 0.257 433 M C 2.379 178.582 176.300 -0.162 0.000 1.071 433 M CA 2.444 57.652 55.300 -0.153 0.000 1.096 433 M CB -0.414 32.063 32.600 -0.205 0.000 1.330 433 M HN 0.561 nan 8.290 nan 0.000 0.403 434 H N -0.871 118.038 119.070 -0.268 0.000 2.389 434 H HA -0.143 4.413 4.556 -0.000 0.000 0.299 434 H C 1.444 176.632 175.328 -0.234 0.000 1.081 434 H CA 2.313 58.181 56.048 -0.301 0.000 1.345 434 H CB -0.418 29.085 29.762 -0.432 0.000 1.393 434 H HN 0.570 nan 8.280 nan 0.000 0.520 435 Y N -0.995 119.165 120.300 -0.233 0.000 2.373 435 Y HA -0.118 4.432 4.550 -0.000 0.000 0.293 435 Y C 2.583 178.362 175.900 -0.202 0.000 1.129 435 Y CA 0.560 58.518 58.100 -0.238 0.000 1.226 435 Y CB 0.209 38.600 38.460 -0.114 0.000 1.000 435 Y HN 0.105 nan 8.280 nan 0.000 0.549 436 V N 0.359 120.246 119.914 -0.045 0.000 2.295 436 V HA -0.323 3.796 4.120 -0.000 0.000 0.246 436 V C 2.426 178.461 176.094 -0.098 0.000 1.049 436 V CA 2.131 64.389 62.300 -0.070 0.000 1.024 436 V CB -0.563 31.210 31.823 -0.082 0.000 0.648 436 V HN 0.345 nan 8.190 nan 0.000 0.447 437 R N 0.423 120.834 120.500 -0.149 0.000 2.083 437 R HA -0.202 4.137 4.340 -0.000 0.000 0.237 437 R C 2.226 178.471 176.300 -0.091 0.000 1.137 437 R CA 1.980 58.004 56.100 -0.126 0.000 0.951 437 R CB -0.487 29.725 30.300 -0.147 0.000 0.851 437 R HN 0.471 nan 8.270 nan 0.000 0.434 438 A N 0.481 123.200 122.820 -0.169 0.000 1.930 438 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 438 A C 2.336 179.929 177.584 0.014 0.000 1.175 438 A CA 1.463 53.495 52.037 -0.007 0.000 0.627 438 A CB -0.633 18.339 19.000 -0.046 0.000 0.815 438 A HN 0.567 nan 8.150 nan 0.000 0.443 439 A N -0.128 122.689 122.820 -0.006 0.000 1.898 439 A HA -0.129 4.190 4.320 -0.000 0.000 0.216 439 A C 1.927 179.484 177.584 -0.044 0.000 1.181 439 A CA 1.484 53.511 52.037 -0.017 0.000 0.620 439 A CB -0.449 18.534 19.000 -0.029 0.000 0.819 439 A HN 0.610 nan 8.150 nan 0.000 0.442 440 E N -0.937 119.230 120.200 -0.055 0.000 2.072 440 E HA -0.186 4.163 4.350 -0.000 0.000 0.191 440 E C 2.056 178.607 176.600 -0.081 0.000 0.985 440 E CA 1.317 57.672 56.400 -0.075 0.000 0.801 440 E CB -0.250 29.403 29.700 -0.077 0.000 0.750 440 E HN 0.750 nan 8.360 nan 0.000 0.452 441 M N 0.752 120.328 119.600 -0.041 0.000 2.077 441 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 441 M C 2.175 178.479 176.300 0.007 0.000 1.070 441 M CA 1.328 56.602 55.300 -0.043 0.000 1.125 441 M CB 0.030 32.702 32.600 0.119 0.000 1.339 441 M HN 0.073 nan 8.290 nan 0.000 0.409 442 L N 0.137 121.425 121.223 0.108 0.000 2.079 442 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 442 L C 2.616 179.661 176.870 0.291 0.000 1.081 442 L CA 1.762 56.726 54.840 0.207 0.000 0.752 442 L CB -0.536 41.501 42.059 -0.036 0.000 0.896 442 L HN 0.521 nan 8.230 nan 0.000 0.433 443 S N -1.071 114.719 115.700 0.150 0.000 2.527 443 S HA 0.077 4.546 4.470 -0.000 0.000 0.222 443 S C 1.936 176.716 174.600 0.300 0.000 0.985 443 S CA 0.372 58.734 58.200 0.271 0.000 0.921 443 S CB 0.023 63.192 63.200 -0.051 0.000 0.772 443 S HN 0.295 nan 8.310 nan 0.000 0.529 444 A N 0.752 123.572 122.820 0.000 0.000 2.066 444 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 444 A C 1.642 179.120 177.584 -0.176 0.000 1.157 444 A CA 0.580 52.518 52.037 -0.166 0.000 0.670 444 A CB -1.103 17.645 19.000 -0.420 0.000 0.804 444 A HN 0.757 nan 8.150 nan 0.000 0.453 445 W N -0.620 120.699 121.300 0.031 0.000 2.465 445 W HA 0.012 4.672 4.660 -0.000 0.000 0.268 445 W C 0.844 177.160 176.519 -0.338 0.000 1.242 445 W CA 0.868 58.133 57.345 -0.133 0.000 1.248 445 W CB -0.127 29.223 29.460 -0.183 0.000 1.118 445 W HN 0.385 nan 8.180 nan 0.000 0.587 446 H N -2.216 116.915 119.070 0.102 0.000 2.731 446 H HA 0.360 4.916 4.556 -0.000 0.000 0.368 446 H C -0.355 174.874 175.328 -0.165 0.000 1.168 446 H CA -0.911 55.034 56.048 -0.171 0.000 1.181 446 H CB 1.750 31.162 29.762 -0.584 0.000 1.743 446 H HN -0.430 nan 8.280 nan 0.000 0.547 447 S N 0.952 116.614 115.700 -0.064 0.000 2.562 447 S HA 0.282 4.752 4.470 -0.000 0.000 0.275 447 S C -1.316 173.177 174.600 -0.179 0.000 1.281 447 S CA -0.635 57.547 58.200 -0.031 0.000 1.045 447 S CB 0.209 63.401 63.200 -0.014 0.000 0.962 447 S HN 0.407 nan 8.310 nan 0.000 0.503 448 W N 2.277 123.579 121.300 0.004 0.000 2.632 448 W HA 0.359 5.019 4.660 -0.001 0.000 0.328 448 W C -0.045 176.432 176.519 -0.070 0.000 1.044 448 W CA -0.841 56.477 57.345 -0.044 0.000 1.225 448 W CB 0.659 30.059 29.460 -0.099 0.000 1.396 448 W HN 0.651 nan 8.180 nan 0.000 0.499 449 D N 0.789 121.267 120.400 0.130 0.000 2.423 449 D HA 0.155 4.795 4.640 -0.000 0.000 0.238 449 D C 1.664 177.962 176.300 -0.003 0.000 1.142 449 D CA 1.159 55.196 54.000 0.063 0.000 0.884 449 D CB 1.205 42.063 40.800 0.096 0.000 1.199 449 D HN 0.558 nan 8.370 nan 0.000 0.438 450 G N 2.862 111.668 108.800 0.009 0.000 2.475 450 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.220 450 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.220 450 G C 1.359 176.231 174.900 -0.046 0.000 1.125 450 G CA 0.492 45.585 45.100 -0.011 0.000 0.755 450 G HN 0.529 nan 8.290 nan 0.000 0.565 451 M N 0.879 120.461 119.600 -0.030 0.000 2.358 451 M HA 0.006 4.485 4.480 -0.000 0.000 0.264 451 M C 2.840 179.046 176.300 -0.155 0.000 1.064 451 M CA 1.132 56.432 55.300 0.000 0.000 1.093 451 M CB -0.489 32.205 32.600 0.157 0.000 1.401 451 M HN 0.341 nan 8.290 nan 0.000 0.440 452 A N 0.099 122.594 122.820 -0.542 0.000 2.168 452 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 452 A C 1.215 178.594 177.584 -0.342 0.000 1.152 452 A CA 0.402 51.925 52.037 -0.856 0.000 0.716 452 A CB -0.366 17.982 19.000 -1.086 0.000 0.794 452 A HN 0.593 nan 8.150 nan 0.000 0.465 453 R N -1.688 118.688 120.500 -0.205 0.000 3.641 453 R HA -0.185 4.154 4.340 -0.000 0.000 0.286 453 R C 0.639 176.832 176.300 -0.178 0.000 1.153 453 R CA 0.725 56.745 56.100 -0.133 0.000 0.775 453 R CB -2.098 28.156 30.300 -0.076 0.000 1.215 453 R HN 0.470 nan 8.270 nan 0.000 0.474 454 I N 0.512 120.926 120.570 -0.260 0.000 2.202 454 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 454 I C 2.146 178.141 176.117 -0.203 0.000 1.091 454 I CA 1.655 62.755 61.300 -0.334 0.000 1.368 454 I CB -0.672 36.975 38.000 -0.588 0.000 1.058 454 I HN 0.206 nan 8.210 nan 0.000 0.410 455 E N 0.685 120.805 120.200 -0.133 0.000 2.110 455 E HA -0.228 4.121 4.350 -0.000 0.000 0.193 455 E C 2.104 178.659 176.600 -0.074 0.000 0.988 455 E CA 1.146 57.495 56.400 -0.084 0.000 0.804 455 E CB -0.222 29.451 29.700 -0.044 0.000 0.745 455 E HN 0.472 nan 8.360 nan 0.000 0.458 456 E N 0.454 120.611 120.200 -0.070 0.000 2.058 456 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 456 E C 1.930 178.491 176.600 -0.065 0.000 0.997 456 E CA 1.096 57.463 56.400 -0.054 0.000 0.801 456 E CB 0.098 29.770 29.700 -0.046 0.000 0.746 456 E HN -0.028 nan 8.360 nan 0.000 0.450 457 R N 0.267 120.716 120.500 -0.085 0.000 2.092 457 R HA 0.003 4.343 4.340 -0.000 0.000 0.231 457 R C 2.386 178.633 176.300 -0.088 0.000 1.119 457 R CA 0.864 56.914 56.100 -0.084 0.000 0.970 457 R CB -0.447 29.793 30.300 -0.099 0.000 0.864 457 R HN 0.277 nan 8.270 nan 0.000 0.440 458 L N -0.129 121.033 121.223 -0.103 0.000 2.093 458 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 458 L C 2.353 179.167 176.870 -0.094 0.000 1.085 458 L CA 1.446 56.227 54.840 -0.098 0.000 0.755 458 L CB -0.405 41.591 42.059 -0.105 0.000 0.904 458 L HN 0.295 nan 8.230 nan 0.000 0.435 459 E N 0.174 120.323 120.200 -0.085 0.000 2.077 459 E HA -0.304 4.046 4.350 -0.000 0.000 0.193 459 E C 2.217 178.752 176.600 -0.108 0.000 0.989 459 E CA 1.321 57.664 56.400 -0.094 0.000 0.800 459 E CB -0.002 29.664 29.700 -0.056 0.000 0.746 459 E HN 0.419 nan 8.360 nan 0.000 0.452 460 Q N -0.013 119.741 119.800 -0.077 0.000 2.061 460 Q HA -0.216 4.123 4.340 -0.000 0.000 0.204 460 Q C 2.078 178.034 176.000 -0.073 0.000 0.984 460 Q CA 1.658 57.423 55.803 -0.063 0.000 0.846 460 Q CB -0.233 28.479 28.738 -0.043 0.000 0.902 460 Q HN 0.355 nan 8.270 nan 0.000 0.421 461 A N 1.082 123.856 122.820 -0.076 0.000 1.877 461 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 461 A C 2.090 179.619 177.584 -0.092 0.000 1.186 461 A CA 1.522 53.515 52.037 -0.072 0.000 0.620 461 A CB -0.526 18.433 19.000 -0.069 0.000 0.822 461 A HN 0.379 nan 8.150 nan 0.000 0.443 462 R N -0.846 119.579 120.500 -0.124 0.000 2.096 462 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 462 R C 2.433 178.592 176.300 -0.235 0.000 1.127 462 R CA 1.521 57.525 56.100 -0.161 0.000 0.968 462 R CB -0.261 29.931 30.300 -0.180 0.000 0.861 462 R HN 0.490 nan 8.270 nan 0.000 0.440 463 R N 0.238 120.570 120.500 -0.281 0.000 2.090 463 R HA -0.058 4.282 4.340 -0.000 0.000 0.228 463 R C 2.039 178.282 176.300 -0.095 0.000 1.110 463 R CA 0.855 56.722 56.100 -0.390 0.000 0.973 463 R CB 0.046 30.144 30.300 -0.337 0.000 0.869 463 R HN 0.179 nan 8.270 nan 0.000 0.440 464 E N 0.802 120.980 120.200 -0.037 0.000 2.107 464 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 464 E C 1.969 178.609 176.600 0.067 0.000 0.982 464 E CA 0.720 57.145 56.400 0.041 0.000 0.809 464 E CB -0.200 29.515 29.700 0.024 0.000 0.756 464 E HN 0.143 nan 8.360 nan 0.000 0.459 465 L N 1.222 122.454 121.223 0.014 0.000 2.046 465 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 465 L C 2.175 179.098 176.870 0.087 0.000 1.077 465 L CA 1.615 56.481 54.840 0.044 0.000 0.747 465 L CB -0.612 41.439 42.059 -0.015 0.000 0.896 465 L HN -0.095 nan 8.230 nan 0.000 0.432 466 S N -0.464 115.251 115.700 0.025 0.000 2.368 466 S HA -0.175 4.294 4.470 -0.000 0.000 0.225 466 S C 1.842 176.585 174.600 0.237 0.000 1.030 466 S CA 1.519 59.764 58.200 0.074 0.000 0.999 466 S CB -0.575 62.563 63.200 -0.104 0.000 0.844 466 S HN 0.462 nan 8.310 nan 0.000 0.459 467 L N 0.706 122.114 121.223 0.307 0.000 2.042 467 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 467 L C 1.853 178.836 176.870 0.188 0.000 1.076 467 L CA 1.663 56.680 54.840 0.296 0.000 0.749 467 L CB -0.626 41.582 42.059 0.250 0.000 0.893 467 L HN 0.298 nan 8.230 nan 0.000 0.432 468 F N -0.335 119.593 119.950 -0.037 0.000 2.546 468 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 468 F C 2.156 177.882 175.800 -0.123 0.000 1.120 468 F CA 0.802 58.669 58.000 -0.222 0.000 1.456 468 F CB -0.207 38.705 39.000 -0.148 0.000 1.088 468 F HN 0.252 nan 8.300 nan 0.000 0.572 469 Q N -0.423 119.352 119.800 -0.042 0.000 2.488 469 Q HA -0.133 4.206 4.340 -0.000 0.000 0.211 469 Q C 0.520 176.467 176.000 -0.088 0.000 0.967 469 Q CA 0.412 56.164 55.803 -0.085 0.000 0.926 469 Q CB -1.291 27.466 28.738 0.031 0.000 0.992 469 Q HN 0.495 nan 8.270 nan 0.000 0.506 470 H N 2.018 120.984 119.070 -0.173 0.000 3.073 470 H HA -0.113 4.443 4.556 -0.000 0.000 0.340 470 H C 1.287 176.465 175.328 -0.250 0.000 1.054 470 H CA 0.707 56.648 56.048 -0.177 0.000 1.372 470 H CB 0.567 30.241 29.762 -0.147 0.000 1.314 470 H HN 0.235 nan 8.280 nan 0.000 0.603 471 H N 2.032 120.678 119.070 -0.707 0.000 2.562 471 H HA 0.005 4.561 4.556 -0.000 0.000 0.272 471 H C -0.379 174.518 175.328 -0.719 0.000 1.019 471 H CA 0.675 56.275 56.048 -0.747 0.000 1.160 471 H CB 0.246 29.557 29.762 -0.752 0.000 1.334 471 H HN 0.615 nan 8.280 nan 0.000 0.611 472 D N 0.347 120.042 120.400 -1.174 0.000 2.503 472 D HA 0.125 4.765 4.640 -0.000 0.000 0.218 472 D C 1.560 177.830 176.300 -0.049 0.000 1.183 472 D CA 0.284 54.131 54.000 -0.255 0.000 0.827 472 D CB 0.884 41.799 40.800 0.192 0.000 1.034 472 D HN 0.525 nan 8.370 nan 0.000 0.510 473 G N 1.315 109.869 108.800 -0.410 0.000 2.600 473 G HA2 0.002 3.962 3.960 -0.000 0.000 0.225 473 G HA3 0.002 3.962 3.960 -0.000 0.000 0.225 473 G C 1.337 175.607 174.900 -1.049 0.000 1.623 473 G CA -0.205 44.382 45.100 -0.854 0.000 0.903 473 G HN 0.188 nan 8.290 nan 0.000 0.574 474 I N 2.025 121.715 120.570 -1.466 0.000 2.423 474 I HA -0.176 3.994 4.170 -0.000 0.000 0.254 474 I C 2.891 178.903 176.117 -0.176 0.000 1.151 474 I CA 2.048 62.825 61.300 -0.871 0.000 1.421 474 I CB -0.032 37.631 38.000 -0.562 0.000 1.079 474 I HN 0.379 nan 8.210 nan 0.000 0.431 475 T N -1.724 112.777 114.554 -0.088 0.000 3.007 475 T HA 0.018 4.368 4.350 -0.000 0.000 0.270 475 T C 1.552 176.389 174.700 0.229 0.000 1.107 475 T CA 0.663 62.902 62.100 0.232 0.000 1.118 475 T CB -0.493 68.516 68.868 0.236 0.000 0.889 475 T HN 0.634 nan 8.240 nan 0.000 0.506 476 G N 1.341 110.231 108.800 0.151 0.000 2.176 476 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 476 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 476 G C 0.579 175.546 174.900 0.112 0.000 1.024 476 G CA 0.665 45.876 45.100 0.185 0.000 0.755 476 G HN 1.141 nan 8.290 nan 0.000 0.507 477 T N -3.311 111.302 114.554 0.098 0.000 3.174 477 T HA 0.736 5.086 4.350 -0.000 0.000 0.269 477 T C 0.913 175.803 174.700 0.316 0.000 1.017 477 T CA 1.068 63.161 62.100 -0.011 0.000 0.899 477 T CB 0.973 69.646 68.868 -0.325 0.000 1.077 477 T HN 1.558 nan 8.240 nan 0.000 0.552 478 A N 1.287 124.305 122.820 0.329 0.000 2.256 478 A HA 0.683 5.003 4.320 -0.000 0.000 0.318 478 A C 0.213 177.887 177.584 0.151 0.000 1.103 478 A CA -0.930 51.327 52.037 0.366 0.000 0.860 478 A CB 0.841 20.097 19.000 0.427 0.000 1.182 478 A HN 0.375 nan 8.150 nan 0.000 0.501 479 K N -0.252 120.161 120.400 0.022 0.000 2.276 479 K HA 0.143 4.462 4.320 -0.000 0.000 0.259 479 K C 1.093 177.695 176.600 0.003 0.000 1.001 479 K CA 0.354 56.637 56.287 -0.007 0.000 0.927 479 K CB 0.375 32.858 32.500 -0.028 0.000 0.969 479 K HN 0.739 nan 8.250 nan 0.000 0.490 480 T N 1.330 115.917 114.554 0.055 0.000 2.653 480 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 480 T C 1.639 176.370 174.700 0.052 0.000 1.035 480 T CA 1.833 63.970 62.100 0.061 0.000 1.154 480 T CB -0.407 68.505 68.868 0.074 0.000 0.862 480 T HN 0.682 nan 8.240 nan 0.000 0.441 481 H N 0.440 119.497 119.070 -0.021 0.000 2.524 481 H HA 0.130 4.686 4.556 -0.000 0.000 0.282 481 H C 1.978 177.274 175.328 -0.053 0.000 1.016 481 H CA 0.729 56.758 56.048 -0.032 0.000 1.270 481 H CB -0.699 29.037 29.762 -0.044 0.000 1.394 481 H HN 0.277 nan 8.280 nan 0.000 0.568 482 V N 1.070 120.633 119.914 -0.586 0.000 2.446 482 V HA -0.154 3.966 4.120 -0.000 0.000 0.244 482 V C 2.988 178.892 176.094 -0.317 0.000 1.039 482 V CA 1.017 63.000 62.300 -0.529 0.000 1.045 482 V CB -0.365 31.194 31.823 -0.440 0.000 0.681 482 V HN 0.226 nan 8.190 nan 0.000 0.459 483 V N 0.047 119.912 119.914 -0.081 0.000 2.332 483 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 483 V C 2.467 178.547 176.094 -0.024 0.000 1.055 483 V CA 1.988 64.303 62.300 0.024 0.000 1.038 483 V CB -0.555 31.242 31.823 -0.044 0.000 0.651 483 V HN 0.413 nan 8.190 nan 0.000 0.450 484 V N 0.395 120.298 119.914 -0.017 0.000 2.343 484 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 484 V C 2.311 178.424 176.094 0.032 0.000 1.051 484 V CA 2.453 64.775 62.300 0.038 0.000 1.036 484 V CB -0.679 31.174 31.823 0.050 0.000 0.654 484 V HN 0.656 nan 8.190 nan 0.000 0.451 485 D N -1.090 119.284 120.400 -0.044 0.000 2.097 485 D HA -0.211 4.429 4.640 -0.000 0.000 0.195 485 D C 2.004 178.319 176.300 0.025 0.000 0.989 485 D CA 1.523 55.495 54.000 -0.046 0.000 0.827 485 D CB -0.160 40.553 40.800 -0.145 0.000 0.966 485 D HN 0.483 nan 8.370 nan 0.000 0.456 486 Y N 0.990 121.337 120.300 0.079 0.000 2.181 486 Y HA -0.064 4.486 4.550 -0.000 0.000 0.288 486 Y C 2.432 178.320 175.900 -0.021 0.000 1.146 486 Y CA 1.281 59.428 58.100 0.078 0.000 1.164 486 Y CB -0.767 37.813 38.460 0.200 0.000 0.982 486 Y HN 0.157 nan 8.280 nan 0.000 0.515 487 E N 0.063 120.374 120.200 0.185 0.000 2.077 487 E HA -0.250 4.099 4.350 -0.000 0.000 0.193 487 E C 1.965 178.653 176.600 0.147 0.000 0.989 487 E CA 1.349 57.872 56.400 0.205 0.000 0.800 487 E CB -0.036 29.868 29.700 0.341 0.000 0.746 487 E HN 0.579 nan 8.360 nan 0.000 0.452 488 Q N -0.100 119.772 119.800 0.120 0.000 2.124 488 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 488 Q C 2.307 178.352 176.000 0.074 0.000 0.977 488 Q CA 1.266 57.122 55.803 0.089 0.000 0.850 488 Q CB -0.055 28.725 28.738 0.071 0.000 0.901 488 Q HN 0.196 nan 8.270 nan 0.000 0.429 489 R N 0.096 120.646 120.500 0.083 0.000 2.081 489 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 489 R C 2.251 178.577 176.300 0.042 0.000 1.131 489 R CA 1.404 57.546 56.100 0.070 0.000 0.960 489 R CB -0.153 30.214 30.300 0.111 0.000 0.856 489 R HN 0.287 nan 8.270 nan 0.000 0.436 490 M N -0.006 119.610 119.600 0.026 0.000 2.229 490 M HA -0.155 4.324 4.480 -0.000 0.000 0.264 490 M C 2.267 178.570 176.300 0.006 0.000 1.063 490 M CA 1.297 56.582 55.300 -0.025 0.000 1.114 490 M CB -0.088 32.438 32.600 -0.122 0.000 1.387 490 M HN 0.040 nan 8.290 nan 0.000 0.420 491 Q N 0.925 120.757 119.800 0.053 0.000 2.084 491 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 491 Q C 1.740 177.757 176.000 0.029 0.000 0.978 491 Q CA 1.585 57.429 55.803 0.067 0.000 0.844 491 Q CB -0.041 28.753 28.738 0.094 0.000 0.898 491 Q HN 0.328 nan 8.270 nan 0.000 0.426 492 E N -0.231 119.982 120.200 0.023 0.000 2.106 492 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 492 E C 1.815 178.407 176.600 -0.013 0.000 0.984 492 E CA 1.098 57.501 56.400 0.005 0.000 0.806 492 E CB -0.398 29.308 29.700 0.011 0.000 0.750 492 E HN 0.460 nan 8.360 nan 0.000 0.458 493 A N 1.146 123.957 122.820 -0.015 0.000 1.902 493 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 493 A C 2.382 179.939 177.584 -0.046 0.000 1.181 493 A CA 0.987 53.004 52.037 -0.033 0.000 0.623 493 A CB -0.683 18.297 19.000 -0.033 0.000 0.818 493 A HN 0.180 nan 8.150 nan 0.000 0.443 494 L N -0.752 120.444 121.223 -0.045 0.000 2.046 494 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 494 L C 2.584 179.390 176.870 -0.106 0.000 1.077 494 L CA 1.757 56.548 54.840 -0.082 0.000 0.747 494 L CB -0.383 41.642 42.059 -0.056 0.000 0.896 494 L HN 0.360 nan 8.230 nan 0.000 0.432 495 K N -0.168 120.193 120.400 -0.065 0.000 2.057 495 K HA -0.128 4.191 4.320 -0.000 0.000 0.206 495 K C 2.248 178.809 176.600 -0.066 0.000 1.050 495 K CA 1.260 57.508 56.287 -0.065 0.000 0.935 495 K CB -0.261 32.215 32.500 -0.040 0.000 0.715 495 K HN 0.283 nan 8.250 nan 0.000 0.439 496 A N 1.152 123.937 122.820 -0.059 0.000 1.877 496 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 496 A C 2.430 179.972 177.584 -0.071 0.000 1.186 496 A CA 1.600 53.599 52.037 -0.062 0.000 0.620 496 A CB -1.079 17.887 19.000 -0.058 0.000 0.822 496 A HN 0.419 nan 8.150 nan 0.000 0.443 497 C N -0.987 118.268 119.300 -0.075 0.000 2.413 497 C HA -0.146 4.314 4.460 -0.000 0.000 0.276 497 C C 2.894 177.843 174.990 -0.069 0.000 1.236 497 C CA 1.323 60.300 59.018 -0.068 0.000 1.735 497 C CB -1.340 26.367 27.740 -0.054 0.000 2.031 497 C HN 0.801 nan 8.230 nan 0.000 0.474 498 Q N 0.203 119.933 119.800 -0.116 0.000 2.061 498 Q HA -0.291 4.049 4.340 -0.000 0.000 0.204 498 Q C 2.161 178.166 176.000 0.008 0.000 0.984 498 Q CA 2.161 57.914 55.803 -0.083 0.000 0.846 498 Q CB -0.294 28.366 28.738 -0.129 0.000 0.902 498 Q HN 0.584 nan 8.270 nan 0.000 0.421 499 M N -0.104 119.483 119.600 -0.022 0.000 2.080 499 M HA -0.135 4.345 4.480 -0.000 0.000 0.260 499 M C 1.865 178.162 176.300 -0.005 0.000 1.068 499 M CA 1.565 56.863 55.300 -0.004 0.000 1.109 499 M CB -0.486 32.095 32.600 -0.031 0.000 1.342 499 M HN 0.148 nan 8.290 nan 0.000 0.405 500 V N 0.226 120.102 119.914 -0.063 0.000 2.295 500 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 500 V C 2.435 178.493 176.094 -0.059 0.000 1.049 500 V CA 2.219 64.437 62.300 -0.136 0.000 1.024 500 V CB -0.719 31.002 31.823 -0.171 0.000 0.648 500 V HN 0.556 nan 8.190 nan 0.000 0.447 501 M N 0.251 119.872 119.600 0.035 0.000 2.086 501 M HA -0.260 4.220 4.480 -0.000 0.000 0.261 501 M C 2.372 178.741 176.300 0.115 0.000 1.067 501 M CA 2.395 57.769 55.300 0.123 0.000 1.116 501 M CB -0.461 32.331 32.600 0.319 0.000 1.348 501 M HN 0.550 nan 8.290 nan 0.000 0.407 502 Q N -0.254 119.681 119.800 0.226 0.000 2.123 502 Q HA -0.112 4.228 4.340 -0.000 0.000 0.199 502 Q C 1.813 177.991 176.000 0.296 0.000 0.966 502 Q CA 1.088 57.047 55.803 0.260 0.000 0.845 502 Q CB -0.615 28.371 28.738 0.413 0.000 0.907 502 Q HN 0.409 nan 8.270 nan 0.000 0.439 503 Q N 0.653 120.610 119.800 0.263 0.000 2.084 503 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 503 Q C 2.273 178.526 176.000 0.422 0.000 0.978 503 Q CA 1.772 57.802 55.803 0.379 0.000 0.844 503 Q CB -0.239 28.637 28.738 0.229 0.000 0.898 503 Q HN 0.515 nan 8.270 nan 0.000 0.426 504 S N 0.399 116.240 115.700 0.235 0.000 2.368 504 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 504 S C 2.226 176.889 174.600 0.105 0.000 1.029 504 S CA 1.055 59.447 58.200 0.319 0.000 0.988 504 S CB -0.222 63.099 63.200 0.202 0.000 0.838 504 S HN 0.133 nan 8.310 nan 0.000 0.462 505 V N 0.741 120.593 119.914 -0.103 0.000 2.343 505 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 505 V C 2.005 178.098 176.094 -0.000 0.000 1.051 505 V CA 1.790 63.907 62.300 -0.306 0.000 1.036 505 V CB -0.775 30.460 31.823 -0.980 0.000 0.654 505 V HN 0.514 nan 8.190 nan 0.000 0.451 506 Y N 1.203 121.567 120.300 0.108 0.000 2.165 506 Y HA -0.250 4.299 4.550 -0.000 0.000 0.286 506 Y C 2.750 178.730 175.900 0.135 0.000 1.155 506 Y CA 2.209 60.453 58.100 0.239 0.000 1.164 506 Y CB -0.325 38.197 38.460 0.103 0.000 0.978 506 Y HN 0.100 nan 8.280 nan 0.000 0.513 507 R N -0.278 120.191 120.500 -0.052 0.000 2.090 507 R HA -0.084 4.256 4.340 -0.000 0.000 0.228 507 R C 2.122 178.144 176.300 -0.463 0.000 1.110 507 R CA 1.426 57.136 56.100 -0.649 0.000 0.973 507 R CB -0.345 29.565 30.300 -0.650 0.000 0.869 507 R HN 0.426 nan 8.270 nan 0.000 0.440 508 L N 0.249 121.332 121.223 -0.233 0.000 2.291 508 L HA -0.054 4.285 4.340 -0.000 0.000 0.214 508 L C 1.357 178.113 176.870 -0.191 0.000 1.120 508 L CA 0.772 55.427 54.840 -0.309 0.000 0.799 508 L CB 0.139 41.841 42.059 -0.596 0.000 0.925 508 L HN 0.233 nan 8.230 nan 0.000 0.446 509 L N -1.340 119.867 121.223 -0.027 0.000 3.122 509 L HA 0.229 4.568 4.340 -0.000 0.000 0.274 509 L C -0.215 176.731 176.870 0.127 0.000 1.222 509 L CA -0.090 54.822 54.840 0.120 0.000 1.028 509 L CB 0.606 42.891 42.059 0.376 0.000 1.386 509 L HN -0.017 nan 8.230 nan 0.000 0.578 510 T N 0.036 114.580 114.554 -0.016 0.000 2.841 510 T HA 0.193 4.543 4.350 -0.000 0.000 0.283 510 T C -0.161 174.470 174.700 -0.115 0.000 1.000 510 T CA -0.566 61.505 62.100 -0.048 0.000 0.977 510 T CB 2.420 71.211 68.868 -0.128 0.000 0.979 510 T HN 0.003 nan 8.240 nan 0.000 0.446 511 K N 3.759 124.100 120.400 -0.097 0.000 2.504 511 K HA -0.022 4.298 4.320 -0.000 0.000 0.278 511 K C -1.742 174.827 176.600 -0.051 0.000 1.025 511 K CA -1.008 55.233 56.287 -0.077 0.000 1.093 511 K CB 0.431 32.890 32.500 -0.067 0.000 0.873 511 K HN 0.187 nan 8.250 nan 0.000 0.483 512 P HA -0.190 nan 4.420 nan 0.000 0.216 512 P C 0.724 178.034 177.300 0.017 0.000 1.150 512 P CA 1.409 64.485 63.100 -0.040 0.000 0.837 512 P CB 0.189 31.860 31.700 -0.049 0.000 0.786 513 S N -2.219 113.483 115.700 0.003 0.000 2.607 513 S HA 0.052 4.522 4.470 -0.000 0.000 0.224 513 S C 1.641 176.249 174.600 0.014 0.000 0.969 513 S CA 0.502 58.708 58.200 0.009 0.000 0.927 513 S CB -1.114 62.085 63.200 -0.003 0.000 0.772 513 S HN 0.102 nan 8.310 nan 0.000 0.533 514 I N -0.706 119.877 120.570 0.023 0.000 3.339 514 I HA 0.206 4.376 4.170 -0.000 0.000 0.285 514 I C 0.588 176.735 176.117 0.049 0.000 1.201 514 I CA -0.394 60.923 61.300 0.028 0.000 1.434 514 I CB -0.030 37.982 38.000 0.021 0.000 1.152 514 I HN 0.255 nan 8.210 nan 0.000 0.443 515 Y N 2.619 122.856 120.300 -0.104 0.000 2.865 515 Y HA -0.079 4.471 4.550 -0.000 0.000 0.338 515 Y C 0.501 176.353 175.900 -0.081 0.000 1.269 515 Y CA 0.082 58.083 58.100 -0.165 0.000 1.585 515 Y CB 0.373 38.696 38.460 -0.228 0.000 1.224 515 Y HN -0.114 nan 8.280 nan 0.000 0.554 516 S N 8.669 124.110 115.700 -0.432 0.000 2.317 516 S HA 0.350 4.820 4.470 -0.000 0.000 0.144 516 S C -2.832 171.539 174.600 -0.382 0.000 1.660 516 S CA -1.149 56.832 58.200 -0.365 0.000 1.273 516 S CB -0.135 62.983 63.200 -0.136 0.000 1.330 516 S HN 0.663 nan 8.310 nan 0.000 0.395 517 P HA 0.347 nan 4.420 nan 0.000 0.279 517 P C -1.168 175.851 177.300 -0.468 0.000 1.239 517 P CA -0.228 62.594 63.100 -0.464 0.000 0.789 517 P CB 0.896 32.232 31.700 -0.607 0.000 0.933 518 D N 2.254 122.576 120.400 -0.130 0.000 2.412 518 D HA 0.145 4.785 4.640 -0.000 0.000 0.224 518 D C 0.233 176.554 176.300 0.036 0.000 1.093 518 D CA -0.664 53.256 54.000 -0.134 0.000 0.850 518 D CB 0.165 40.907 40.800 -0.097 0.000 1.046 518 D HN 0.057 nan 8.370 nan 0.000 0.507 519 F N 1.636 121.692 119.950 0.177 0.000 2.771 519 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 519 F C 2.451 178.320 175.800 0.115 0.000 1.177 519 F CA 0.441 58.548 58.000 0.177 0.000 1.450 519 F CB -0.391 38.695 39.000 0.144 0.000 1.114 519 F HN 0.363 nan 8.300 nan 0.000 0.587 520 S N -1.562 114.271 115.700 0.221 0.000 2.535 520 S HA 0.083 4.553 4.470 -0.000 0.000 0.214 520 S C 0.441 175.082 174.600 0.069 0.000 0.980 520 S CA -0.393 57.880 58.200 0.122 0.000 0.907 520 S CB -0.618 62.634 63.200 0.087 0.000 0.790 520 S HN 0.097 nan 8.310 nan 0.000 0.510 521 F N 3.094 122.966 119.950 -0.130 0.000 2.382 521 F HA 0.567 5.094 4.527 -0.000 0.000 0.331 521 F C 0.003 175.559 175.800 -0.407 0.000 1.121 521 F CA -0.678 57.106 58.000 -0.359 0.000 1.183 521 F CB 1.402 40.011 39.000 -0.653 0.000 1.207 521 F HN -0.041 nan 8.300 nan 0.000 0.555 522 S N 5.842 120.797 115.700 -1.241 0.000 2.464 522 S HA 0.148 4.618 4.470 -0.000 0.000 0.313 522 S C 0.277 174.155 174.600 -1.202 0.000 1.078 522 S CA -0.350 57.308 58.200 -0.903 0.000 1.096 522 S CB -0.196 62.610 63.200 -0.657 0.000 1.032 522 S HN 0.639 nan 8.310 nan 0.000 0.498 523 Y N 1.506 121.503 120.300 -0.505 0.000 2.337 523 Y HA 0.203 4.753 4.550 -0.000 0.000 0.293 523 Y C 0.365 175.661 175.900 -1.006 0.000 1.123 523 Y CA 0.636 58.309 58.100 -0.711 0.000 1.201 523 Y CB 0.118 38.180 38.460 -0.663 0.000 1.011 523 Y HN 0.497 nan 8.280 nan 0.000 0.545 524 F N -1.312 118.568 119.950 -0.117 0.000 2.599 524 F HA 0.469 4.996 4.527 -0.000 0.000 0.311 524 F C -0.026 175.786 175.800 0.019 0.000 1.076 524 F CA -1.501 56.506 58.000 0.012 0.000 0.937 524 F CB 1.598 40.756 39.000 0.264 0.000 1.282 524 F HN -0.395 nan 8.300 nan 0.000 0.460 525 T N -0.056 114.635 114.554 0.228 0.000 2.888 525 T HA 0.718 5.068 4.350 -0.000 0.000 0.284 525 T C -0.601 174.183 174.700 0.140 0.000 1.017 525 T CA -0.856 61.318 62.100 0.122 0.000 1.022 525 T CB 1.300 70.181 68.868 0.023 0.000 1.013 525 T HN 0.507 nan 8.240 nan 0.000 0.465 526 L N 1.811 123.025 121.223 -0.015 0.000 2.397 526 L HA 0.404 4.744 4.340 -0.000 0.000 0.271 526 L C 0.123 176.948 176.870 -0.075 0.000 1.148 526 L CA -0.302 54.435 54.840 -0.172 0.000 0.825 526 L CB 0.668 42.549 42.059 -0.296 0.000 1.117 526 L HN 0.822 nan 8.230 nan 0.000 0.456 527 D N 1.635 121.995 120.400 -0.068 0.000 2.408 527 D HA 0.204 4.844 4.640 -0.000 0.000 0.243 527 D C -1.215 175.019 176.300 -0.110 0.000 1.075 527 D CA -0.411 53.551 54.000 -0.064 0.000 0.832 527 D CB 1.117 41.920 40.800 0.005 0.000 1.162 527 D HN 0.292 nan 8.370 nan 0.000 0.515 528 D N 2.472 122.822 120.400 -0.083 0.000 2.481 528 D HA 0.194 4.834 4.640 -0.000 0.000 0.246 528 D C 0.015 176.264 176.300 -0.084 0.000 1.109 528 D CA -0.480 53.505 54.000 -0.026 0.000 0.845 528 D CB 1.934 42.810 40.800 0.128 0.000 1.160 528 D HN 0.261 nan 8.370 nan 0.000 0.534 529 S N 2.645 118.271 115.700 -0.124 0.000 2.527 529 S HA 0.057 4.527 4.470 -0.000 0.000 0.222 529 S C 1.382 175.942 174.600 -0.067 0.000 0.985 529 S CA 0.420 58.535 58.200 -0.141 0.000 0.921 529 S CB 0.425 63.533 63.200 -0.154 0.000 0.772 529 S HN 0.485 nan 8.310 nan 0.000 0.529 530 R N -0.694 119.798 120.500 -0.012 0.000 2.509 530 R HA 0.211 4.551 4.340 -0.000 0.000 0.297 530 R C -0.666 175.707 176.300 0.122 0.000 0.951 530 R CA -0.081 56.034 56.100 0.025 0.000 1.103 530 R CB 0.836 31.143 30.300 0.012 0.000 1.283 530 R HN 0.337 nan 8.270 nan 0.000 0.534 531 W N 1.445 122.706 121.300 -0.065 0.000 3.211 531 W HA 0.305 4.965 4.660 -0.000 0.000 0.335 531 W C -2.910 173.583 176.519 -0.044 0.000 1.113 531 W CA -1.950 55.358 57.345 -0.063 0.000 1.235 531 W CB 1.853 31.287 29.460 -0.043 0.000 1.365 531 W HN -0.197 nan 8.180 nan 0.000 0.476 532 P HA 0.118 nan 4.420 nan 0.000 0.233 532 P C 0.263 177.206 177.300 -0.595 0.000 1.167 532 P CA 1.475 63.737 63.100 -1.397 0.000 0.770 532 P CB 0.307 31.406 31.700 -1.003 0.000 0.837 533 G N -0.705 107.916 108.800 -0.299 0.000 2.674 533 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.686 533 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.686 533 G C -0.397 174.441 174.900 -0.103 0.000 1.195 533 G CA -0.466 44.544 45.100 -0.150 0.000 0.776 533 G HN 0.123 nan 8.290 nan 0.000 0.654 534 S N 0.493 116.173 115.700 -0.034 0.000 2.546 534 S HA 0.514 4.984 4.470 -0.000 0.000 0.290 534 S C 1.867 176.466 174.600 -0.003 0.000 1.262 534 S CA 1.957 60.171 58.200 0.022 0.000 1.083 534 S CB 0.265 63.519 63.200 0.090 0.000 0.859 534 S HN 2.770 nan 8.310 nan 0.000 0.495 535 G N 2.764 111.561 108.800 -0.005 0.000 2.195 535 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.246 535 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.246 535 G C 0.581 175.454 174.900 -0.046 0.000 0.984 535 G CA 0.249 45.337 45.100 -0.020 0.000 0.633 535 G HN 0.984 nan 8.290 nan 0.000 0.525 536 V N 0.165 120.034 119.914 -0.075 0.000 2.627 536 V HA 0.422 4.542 4.120 -0.000 0.000 0.239 536 V C 0.783 176.816 176.094 -0.101 0.000 1.077 536 V CA 1.917 64.157 62.300 -0.099 0.000 1.103 536 V CB 0.873 32.602 31.823 -0.157 0.000 0.802 536 V HN 0.658 nan 8.190 nan 0.000 0.482 537 E N 0.368 120.500 120.200 -0.113 0.000 2.321 537 E HA 0.226 4.576 4.350 -0.000 0.000 0.278 537 E C -1.816 174.750 176.600 -0.057 0.000 0.902 537 E CA -0.624 55.722 56.400 -0.089 0.000 0.758 537 E CB 2.090 31.717 29.700 -0.122 0.000 1.213 537 E HN 0.161 nan 8.360 nan 0.000 0.426 538 D N 3.018 123.404 120.400 -0.023 0.000 2.468 538 D HA 0.134 4.774 4.640 -0.000 0.000 0.218 538 D C 0.037 176.337 176.300 -0.001 0.000 1.155 538 D CA -0.157 53.848 54.000 0.009 0.000 0.924 538 D CB 0.760 41.581 40.800 0.035 0.000 1.029 538 D HN 0.399 nan 8.370 nan 0.000 0.515 539 S N 2.691 118.378 115.700 -0.021 0.000 2.578 539 S HA 0.229 4.698 4.470 -0.000 0.000 0.228 539 S C 0.907 175.491 174.600 -0.027 0.000 1.022 539 S CA -0.522 57.661 58.200 -0.029 0.000 0.967 539 S CB 0.362 63.529 63.200 -0.055 0.000 0.914 539 S HN 0.246 nan 8.310 nan 0.000 0.515 540 R N 2.776 123.255 120.500 -0.035 0.000 2.543 540 R HA 0.357 4.697 4.340 -0.000 0.000 0.277 540 R C 0.186 176.496 176.300 0.017 0.000 1.074 540 R CA 0.413 56.467 56.100 -0.077 0.000 1.076 540 R CB 0.563 30.688 30.300 -0.292 0.000 0.993 540 R HN 0.478 nan 8.270 nan 0.000 0.459 541 T N -0.742 113.828 114.554 0.025 0.000 2.882 541 T HA 0.196 4.546 4.350 -0.000 0.000 0.287 541 T C 0.208 174.996 174.700 0.148 0.000 0.992 541 T CA -0.782 61.364 62.100 0.077 0.000 1.076 541 T CB 1.428 70.331 68.868 0.058 0.000 0.961 541 T HN 0.359 nan 8.240 nan 0.000 0.490 542 T N 4.200 118.859 114.554 0.174 0.000 2.832 542 T HA 0.349 4.699 4.350 -0.000 0.000 0.296 542 T C 0.534 175.336 174.700 0.171 0.000 0.968 542 T CA -0.456 61.773 62.100 0.214 0.000 1.107 542 T CB 0.075 69.035 68.868 0.154 0.000 0.916 542 T HN 0.577 nan 8.240 nan 0.000 0.517 543 I N 4.026 124.716 120.570 0.200 0.000 2.436 543 I HA 0.195 4.365 4.170 -0.000 0.000 0.289 543 I C 0.132 176.333 176.117 0.141 0.000 1.083 543 I CA -0.064 61.333 61.300 0.161 0.000 1.372 543 I CB 0.245 38.345 38.000 0.166 0.000 1.408 543 I HN 0.466 nan 8.210 nan 0.000 0.516 544 I N 8.020 128.658 120.570 0.113 0.000 2.297 544 I HA 0.320 4.490 4.170 -0.000 0.000 0.291 544 I C -0.179 175.998 176.117 0.099 0.000 1.033 544 I CA -0.123 61.236 61.300 0.099 0.000 1.253 544 I CB 0.540 38.586 38.000 0.076 0.000 1.396 544 I HN 0.376 nan 8.210 nan 0.000 0.476 545 L N 5.810 127.096 121.223 0.105 0.000 2.333 545 L HA 0.969 5.309 4.340 -0.000 0.000 0.269 545 L C 0.178 177.104 176.870 0.094 0.000 1.010 545 L CA -0.702 54.199 54.840 0.102 0.000 0.818 545 L CB 2.128 44.254 42.059 0.111 0.000 1.306 545 L HN 0.692 nan 8.230 nan 0.000 0.430 546 G N -0.095 108.756 108.800 0.086 0.000 2.442 546 G HA2 0.115 4.075 3.960 -0.000 0.000 0.296 546 G HA3 0.115 4.075 3.960 -0.000 0.000 0.296 546 G C -0.209 174.733 174.900 0.070 0.000 1.564 546 G CA -0.435 44.712 45.100 0.080 0.000 0.828 546 G HN 0.680 nan 8.290 nan 0.000 0.571 547 E N -0.264 119.975 120.200 0.065 0.000 2.160 547 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 547 E C 0.610 177.238 176.600 0.047 0.000 0.991 547 E CA 1.326 57.758 56.400 0.053 0.000 0.810 547 E CB 0.142 29.870 29.700 0.047 0.000 0.742 547 E HN 0.444 nan 8.360 nan 0.000 0.466 548 D N -0.188 120.240 120.400 0.046 0.000 2.342 548 D HA 0.107 4.747 4.640 -0.000 0.000 0.221 548 D C 1.206 177.531 176.300 0.042 0.000 1.101 548 D CA 0.133 54.157 54.000 0.040 0.000 0.837 548 D CB 0.863 41.684 40.800 0.035 0.000 0.938 548 D HN 0.336 nan 8.370 nan 0.000 0.508 549 I N -0.952 119.648 120.570 0.050 0.000 4.420 549 I HA 0.116 4.286 4.170 -0.000 0.000 0.292 549 I C -1.381 174.772 176.117 0.061 0.000 1.153 549 I CA 0.067 61.398 61.300 0.051 0.000 1.315 549 I CB 1.268 39.299 38.000 0.051 0.000 1.616 549 I HN -0.180 nan 8.210 nan 0.000 0.450 550 L N 1.423 122.688 121.223 0.070 0.000 2.795 550 L HA 0.467 4.807 4.340 -0.000 0.000 0.260 550 L C -2.601 174.322 176.870 0.088 0.000 0.935 550 L CA -0.811 54.079 54.840 0.083 0.000 0.985 550 L CB 1.562 43.677 42.059 0.093 0.000 1.433 550 L HN -0.182 nan 8.230 nan 0.000 0.447 551 P HA 0.108 nan 4.420 nan 0.000 0.222 551 P C -0.487 176.870 177.300 0.094 0.000 1.153 551 P CA 0.871 64.021 63.100 0.083 0.000 0.798 551 P CB 0.356 32.099 31.700 0.072 0.000 0.796 552 S N -2.663 113.105 115.700 0.113 0.000 2.625 552 S HA 0.752 5.222 4.470 -0.000 0.000 0.271 552 S C -1.338 173.368 174.600 0.177 0.000 1.161 552 S CA -0.744 57.530 58.200 0.124 0.000 0.820 552 S CB 2.295 65.561 63.200 0.109 0.000 1.137 552 S HN -0.192 nan 8.310 nan 0.000 0.470 553 K N 0.546 121.057 120.400 0.185 0.000 2.535 553 K HA 0.567 4.887 4.320 -0.000 0.000 0.251 553 K C -2.003 174.766 176.600 0.282 0.000 0.942 553 K CA -0.247 56.199 56.287 0.264 0.000 0.798 553 K CB 0.978 33.589 32.500 0.185 0.000 1.267 553 K HN 0.846 nan 8.250 nan 0.000 0.434 554 H N 0.806 120.028 119.070 0.253 0.000 2.610 554 H HA 0.454 5.010 4.556 -0.000 0.000 0.336 554 H C -0.235 175.326 175.328 0.388 0.000 1.087 554 H CA -0.074 56.168 56.048 0.323 0.000 1.405 554 H CB 1.028 31.068 29.762 0.464 0.000 1.460 554 H HN 0.394 nan 8.280 nan 0.000 0.538 555 V N 1.007 121.169 119.914 0.415 0.000 2.914 555 V HA 0.773 4.893 4.120 -0.000 0.000 0.314 555 V C -0.733 175.694 176.094 0.555 0.000 1.084 555 V CA -0.868 61.682 62.300 0.416 0.000 0.963 555 V CB 2.079 33.895 31.823 -0.012 0.000 1.025 555 V HN 0.460 nan 8.190 nan 0.000 0.432 556 V N 3.974 124.241 119.914 0.589 0.000 2.709 556 V HA 0.637 4.756 4.120 -0.000 0.000 0.308 556 V C -0.449 176.001 176.094 0.595 0.000 1.062 556 V CA -0.382 62.228 62.300 0.515 0.000 0.901 556 V CB 1.848 33.823 31.823 0.254 0.000 1.003 556 V HN 0.941 nan 8.190 nan 0.000 0.425 557 M N 4.034 123.956 119.600 0.536 0.000 2.404 557 M HA 0.494 4.974 4.480 -0.000 0.000 0.338 557 M C -0.490 176.091 176.300 0.468 0.000 1.150 557 M CA -0.300 55.292 55.300 0.487 0.000 1.016 557 M CB 1.175 34.001 32.600 0.376 0.000 1.672 557 M HN 0.750 nan 8.290 nan 0.000 0.448 558 H N 1.932 121.237 119.070 0.392 0.000 2.492 558 H HA 0.485 5.041 4.556 -0.000 0.000 0.345 558 H C -1.343 174.128 175.328 0.238 0.000 1.136 558 H CA -0.574 55.670 56.048 0.326 0.000 1.202 558 H CB 1.206 31.235 29.762 0.445 0.000 1.524 558 H HN 0.645 nan 8.280 nan 0.000 0.506 559 N N 3.082 121.542 118.700 -0.399 0.000 2.569 559 N HA 0.038 4.777 4.740 -0.000 0.000 0.254 559 N C 0.316 175.498 175.510 -0.547 0.000 1.004 559 N CA -0.304 52.528 53.050 -0.363 0.000 0.904 559 N CB 1.576 39.961 38.487 -0.169 0.000 1.165 559 N HN 0.639 nan 8.380 nan 0.000 0.513 560 T N 2.847 117.129 114.554 -0.455 0.000 3.035 560 T HA 0.158 4.508 4.350 -0.000 0.000 0.268 560 T C 0.705 175.372 174.700 -0.054 0.000 1.109 560 T CA 0.530 62.540 62.100 -0.151 0.000 1.119 560 T CB -0.236 68.680 68.868 0.080 0.000 0.900 560 T HN 0.418 nan 8.240 nan 0.000 0.503 561 L N 2.680 123.816 121.223 -0.145 0.000 2.395 561 L HA 0.311 4.651 4.340 -0.000 0.000 0.269 561 L C -1.597 175.135 176.870 -0.230 0.000 1.133 561 L CA -1.932 52.785 54.840 -0.204 0.000 0.812 561 L CB 0.667 42.470 42.059 -0.426 0.000 1.125 561 L HN -0.047 nan 8.230 nan 0.000 0.452 562 P HA 0.055 nan 4.420 nan 0.000 0.243 562 P C -0.958 176.356 177.300 0.024 0.000 1.668 562 P CA 0.320 63.409 63.100 -0.018 0.000 0.898 562 P CB -0.341 31.403 31.700 0.074 0.000 1.637 563 H N -3.245 115.843 119.070 0.030 0.000 2.980 563 H HA 0.250 4.806 4.556 -0.000 0.000 0.367 563 H C -1.017 174.336 175.328 0.043 0.000 1.206 563 H CA -1.091 54.995 56.048 0.062 0.000 1.126 563 H CB 0.044 29.871 29.762 0.108 0.000 1.838 563 H HN -0.128 nan 8.280 nan 0.000 0.552 564 W N 1.606 123.022 121.300 0.193 0.000 2.257 564 W HA 0.226 4.886 4.660 -0.001 0.000 0.337 564 W C 0.822 177.449 176.519 0.179 0.000 1.321 564 W CA 0.402 57.827 57.345 0.132 0.000 1.267 564 W CB 0.451 29.976 29.460 0.108 0.000 1.187 564 W HN 0.483 nan 8.180 nan 0.000 0.565 565 R N 2.273 122.982 120.500 0.347 0.000 2.628 565 R HA 0.305 4.645 4.340 -0.000 0.000 0.288 565 R C -0.927 175.515 176.300 0.237 0.000 0.980 565 R CA -0.634 55.621 56.100 0.258 0.000 0.891 565 R CB 1.360 31.739 30.300 0.132 0.000 1.188 565 R HN 0.469 nan 8.270 nan 0.000 0.450 566 E N 2.453 122.765 120.200 0.187 0.000 2.191 566 E HA 0.257 4.607 4.350 -0.000 0.000 0.274 566 E C -1.225 175.424 176.600 0.081 0.000 0.948 566 E CA -0.795 55.690 56.400 0.141 0.000 0.802 566 E CB 2.378 32.153 29.700 0.124 0.000 1.137 566 E HN 0.397 nan 8.360 nan 0.000 0.397 567 Q N 3.059 122.884 119.800 0.042 0.000 2.403 567 Q HA 0.223 4.563 4.340 -0.000 0.000 0.267 567 Q C -1.567 174.393 176.000 -0.068 0.000 0.991 567 Q CA -0.563 55.235 55.803 -0.008 0.000 0.906 567 Q CB 1.403 30.128 28.738 -0.021 0.000 1.422 567 Q HN 0.569 nan 8.270 nan 0.000 0.400 568 L N 3.183 124.360 121.223 -0.076 0.000 2.453 568 L HA 0.314 4.654 4.340 -0.000 0.000 0.272 568 L C 0.270 177.008 176.870 -0.219 0.000 1.182 568 L CA -0.222 54.535 54.840 -0.139 0.000 0.858 568 L CB 0.619 42.632 42.059 -0.077 0.000 1.120 568 L HN 0.500 nan 8.230 nan 0.000 0.474 569 V N -0.718 118.961 119.914 -0.392 0.000 2.914 569 V HA 0.797 4.916 4.120 -0.000 0.000 0.314 569 V C -1.074 174.755 176.094 -0.442 0.000 1.084 569 V CA -0.879 61.149 62.300 -0.453 0.000 0.963 569 V CB 2.136 33.643 31.823 -0.527 0.000 1.025 569 V HN 0.797 nan 8.190 nan 0.000 0.432 570 D N 0.939 121.075 120.400 -0.440 0.000 2.645 570 D HA 0.737 5.377 4.640 -0.000 0.000 0.228 570 D C -1.198 174.815 176.300 -0.478 0.000 1.148 570 D CA -0.511 53.349 54.000 -0.234 0.000 0.860 570 D CB 1.978 42.738 40.800 -0.067 0.000 1.548 570 D HN 0.444 nan 8.370 nan 0.000 0.460 571 F N -0.439 119.579 119.950 0.112 0.000 2.599 571 F HA 0.410 4.937 4.527 -0.000 0.000 0.311 571 F C -0.686 175.282 175.800 0.280 0.000 1.076 571 F CA -1.075 57.004 58.000 0.131 0.000 0.937 571 F CB 1.537 40.655 39.000 0.197 0.000 1.282 571 F HN 0.152 nan 8.300 nan 0.000 0.460 572 Y N 2.057 122.514 120.300 0.261 0.000 2.304 572 Y HA 0.570 5.120 4.550 -0.000 0.000 0.328 572 Y C 0.203 176.224 175.900 0.202 0.000 1.123 572 Y CA -1.467 56.738 58.100 0.175 0.000 1.218 572 Y CB 0.953 39.469 38.460 0.094 0.000 1.207 572 Y HN 0.348 nan 8.280 nan 0.000 0.495 573 V N -0.456 119.656 119.914 0.331 0.000 3.040 573 V HA 0.570 4.690 4.120 -0.000 0.000 0.312 573 V C 0.299 176.526 176.094 0.222 0.000 1.115 573 V CA -0.785 61.670 62.300 0.258 0.000 0.998 573 V CB 1.701 33.675 31.823 0.252 0.000 1.042 573 V HN 0.660 nan 8.190 nan 0.000 0.433 574 S N 0.091 115.902 115.700 0.185 0.000 2.631 574 S HA 0.283 4.753 4.470 -0.000 0.000 0.217 574 S C 0.635 175.369 174.600 0.224 0.000 0.958 574 S CA 0.450 58.747 58.200 0.162 0.000 0.920 574 S CB -0.223 63.044 63.200 0.113 0.000 0.776 574 S HN 1.391 nan 8.310 nan 0.000 0.517 575 S N 1.326 117.161 115.700 0.224 0.000 2.546 575 S HA 0.593 5.063 4.470 -0.000 0.000 0.274 575 S C -2.579 171.936 174.600 -0.141 0.000 1.121 575 S CA -1.447 56.787 58.200 0.058 0.000 0.887 575 S CB 1.943 65.179 63.200 0.061 0.000 1.094 575 S HN 0.022 nan 8.310 nan 0.000 0.474 576 P HA 0.189 nan 4.420 nan 0.000 0.240 576 P C -0.231 176.933 177.300 -0.227 0.000 1.190 576 P CA 0.335 63.062 63.100 -0.622 0.000 0.781 576 P CB -0.157 30.899 31.700 -1.074 0.000 0.931 577 F N 0.767 120.729 119.950 0.020 0.000 2.509 577 F HA 0.264 4.791 4.527 -0.000 0.000 0.344 577 F C 0.472 176.315 175.800 0.071 0.000 1.197 577 F CA -1.144 56.897 58.000 0.068 0.000 1.294 577 F CB -0.060 38.948 39.000 0.014 0.000 1.643 577 F HN -0.335 nan 8.300 nan 0.000 0.596 578 V N 1.054 121.101 119.914 0.223 0.000 2.656 578 V HA 0.676 4.796 4.120 -0.000 0.000 0.307 578 V C -0.257 175.902 176.094 0.109 0.000 1.051 578 V CA -0.817 61.571 62.300 0.147 0.000 0.893 578 V CB 2.255 34.157 31.823 0.131 0.000 0.999 578 V HN 0.516 nan 8.190 nan 0.000 0.426 579 S N 2.978 118.723 115.700 0.075 0.000 2.599 579 S HA 0.895 5.365 4.470 -0.000 0.000 0.294 579 S C -0.960 173.624 174.600 -0.027 0.000 1.094 579 S CA -0.835 57.389 58.200 0.040 0.000 0.931 579 S CB 2.106 65.346 63.200 0.066 0.000 1.093 579 S HN 0.429 nan 8.310 nan 0.000 0.488 580 V N 1.769 121.631 119.914 -0.088 0.000 2.555 580 V HA 0.810 4.930 4.120 -0.000 0.000 0.302 580 V C 0.044 176.053 176.094 -0.142 0.000 1.038 580 V CA -0.471 61.700 62.300 -0.217 0.000 0.887 580 V CB 1.654 33.157 31.823 -0.532 0.000 0.991 580 V HN 1.207 nan 8.190 nan 0.000 0.434 581 T N -0.586 113.903 114.554 -0.108 0.000 2.906 581 T HA 0.638 4.988 4.350 -0.000 0.000 0.295 581 T C -0.763 173.922 174.700 -0.025 0.000 1.075 581 T CA -0.898 61.164 62.100 -0.064 0.000 1.005 581 T CB 2.031 70.853 68.868 -0.077 0.000 1.136 581 T HN 0.720 nan 8.240 nan 0.000 0.498 582 D N 0.606 120.964 120.400 -0.069 0.000 2.447 582 D HA 0.181 4.820 4.640 -0.000 0.000 0.265 582 D C 0.674 176.833 176.300 -0.235 0.000 1.250 582 D CA -1.117 52.714 54.000 -0.281 0.000 1.046 582 D CB 0.267 40.896 40.800 -0.286 0.000 1.095 582 D HN 0.345 nan 8.370 nan 0.000 0.555 583 L N -0.729 120.337 121.223 -0.261 0.000 2.645 583 L HA 0.351 4.690 4.340 -0.000 0.000 0.234 583 L C 1.325 178.117 176.870 -0.130 0.000 1.165 583 L CA 0.335 55.066 54.840 -0.182 0.000 0.944 583 L CB -0.805 41.152 42.059 -0.169 0.000 1.149 583 L HN 0.618 nan 8.230 nan 0.000 0.446 584 A N -0.984 121.765 122.820 -0.118 0.000 2.500 584 A HA 0.220 4.540 4.320 -0.000 0.000 0.267 584 A C 1.119 178.659 177.584 -0.074 0.000 1.290 584 A CA 0.179 52.166 52.037 -0.084 0.000 0.928 584 A CB -0.465 18.493 19.000 -0.070 0.000 1.066 584 A HN 0.440 nan 8.150 nan 0.000 0.516 585 N N 0.107 118.756 118.700 -0.084 0.000 2.782 585 N HA -0.141 4.599 4.740 -0.000 0.000 0.251 585 N C -0.972 174.497 175.510 -0.067 0.000 1.101 585 N CA 0.851 53.859 53.050 -0.070 0.000 0.764 585 N CB -1.692 36.764 38.487 -0.051 0.000 1.122 585 N HN 0.564 nan 8.380 nan 0.000 0.561 586 N N 1.134 119.791 118.700 -0.073 0.000 2.488 586 N HA 0.255 4.995 4.740 -0.000 0.000 0.274 586 N C -2.488 172.962 175.510 -0.100 0.000 1.111 586 N CA -0.847 52.157 53.050 -0.077 0.000 0.974 586 N CB 0.594 39.045 38.487 -0.060 0.000 1.089 586 N HN 0.224 nan 8.380 nan 0.000 0.465 587 P HA 0.061 nan 4.420 nan 0.000 0.269 587 P C -0.430 176.746 177.300 -0.206 0.000 1.209 587 P CA -0.089 62.853 63.100 -0.263 0.000 0.776 587 P CB 0.706 32.013 31.700 -0.654 0.000 0.876 588 V N 3.214 123.051 119.914 -0.128 0.000 2.448 588 V HA 0.182 4.302 4.120 -0.000 0.000 0.295 588 V C 0.379 176.469 176.094 -0.006 0.000 1.025 588 V CA -0.806 61.473 62.300 -0.035 0.000 0.859 588 V CB 1.476 33.301 31.823 0.003 0.000 0.988 588 V HN 0.435 nan 8.190 nan 0.000 0.431 589 E N 3.096 123.327 120.200 0.052 0.000 2.414 589 E HA 0.509 4.859 4.350 -0.000 0.000 0.263 589 E C 0.086 176.757 176.600 0.119 0.000 1.000 589 E CA 0.211 56.674 56.400 0.104 0.000 0.914 589 E CB 1.443 31.209 29.700 0.109 0.000 0.948 589 E HN 0.843 nan 8.360 nan 0.000 0.444 590 A N 2.860 125.739 122.820 0.100 0.000 2.527 590 A HA 0.533 4.852 4.320 -0.000 0.000 0.293 590 A C -0.951 176.654 177.584 0.035 0.000 1.117 590 A CA -0.685 51.422 52.037 0.116 0.000 0.723 590 A CB 1.872 20.935 19.000 0.106 0.000 1.313 590 A HN 0.526 nan 8.150 nan 0.000 0.411 591 Q N 0.808 120.637 119.800 0.048 0.000 2.356 591 Q HA 0.660 4.999 4.340 -0.000 0.000 0.270 591 Q C -1.980 174.015 176.000 -0.009 0.000 1.058 591 Q CA -0.556 55.233 55.803 -0.024 0.000 0.802 591 Q CB 2.163 30.925 28.738 0.039 0.000 1.303 591 Q HN 0.582 nan 8.270 nan 0.000 0.444 592 V N 2.524 122.363 119.914 -0.125 0.000 2.513 592 V HA 0.588 4.707 4.120 -0.000 0.000 0.299 592 V C -0.536 175.732 176.094 0.289 0.000 1.035 592 V CA -0.335 62.003 62.300 0.062 0.000 0.889 592 V CB 1.892 33.714 31.823 -0.002 0.000 0.988 592 V HN 0.853 nan 8.190 nan 0.000 0.440 593 S N 4.787 120.686 115.700 0.332 0.000 2.632 593 S HA 0.688 5.158 4.470 -0.000 0.000 0.289 593 S C -2.784 171.875 174.600 0.098 0.000 1.115 593 S CA -1.162 57.211 58.200 0.289 0.000 0.889 593 S CB 2.425 65.746 63.200 0.202 0.000 1.116 593 S HN 0.543 nan 8.310 nan 0.000 0.486 594 P HA 0.246 nan 4.420 nan 0.000 0.274 594 P C -1.151 175.823 177.300 -0.544 0.000 1.246 594 P CA -0.496 62.220 63.100 -0.641 0.000 0.795 594 P CB 0.372 31.277 31.700 -1.325 0.000 1.006 595 V N 1.835 121.362 119.914 -0.645 0.000 2.334 595 V HA 0.191 4.310 4.120 -0.000 0.000 0.267 595 V C -0.531 175.266 176.094 -0.495 0.000 1.040 595 V CA -0.176 61.821 62.300 -0.504 0.000 0.866 595 V CB -0.518 30.910 31.823 -0.658 0.000 1.019 595 V HN 0.519 nan 8.190 nan 0.000 0.468 596 W N 3.451 124.656 121.300 -0.159 0.000 2.469 596 W HA 0.639 5.298 4.660 -0.000 0.000 0.320 596 W C 0.397 176.828 176.519 -0.148 0.000 1.086 596 W CA -0.399 56.833 57.345 -0.188 0.000 1.211 596 W CB 1.889 31.243 29.460 -0.177 0.000 1.298 596 W HN 0.564 nan 8.180 nan 0.000 0.525 597 S N 1.265 116.987 115.700 0.037 0.000 2.542 597 S HA 0.598 5.068 4.470 -0.000 0.000 0.293 597 S C -1.493 172.892 174.600 -0.358 0.000 1.089 597 S CA -0.991 57.161 58.200 -0.081 0.000 0.961 597 S CB 1.226 64.349 63.200 -0.128 0.000 1.062 597 S HN 0.415 nan 8.310 nan 0.000 0.483 598 W N 1.046 122.112 121.300 -0.389 0.000 2.469 598 W HA 0.565 5.225 4.660 -0.000 0.000 0.320 598 W C -0.105 176.045 176.519 -0.615 0.000 1.086 598 W CA -0.146 56.979 57.345 -0.367 0.000 1.211 598 W CB 0.982 30.336 29.460 -0.178 0.000 1.298 598 W HN 0.749 nan 8.180 nan 0.000 0.525 599 H N 0.140 119.239 119.070 0.049 0.000 2.589 599 H HA 0.166 4.721 4.556 -0.000 0.000 0.351 599 H C -0.906 174.482 175.328 0.099 0.000 1.074 599 H CA -1.092 54.965 56.048 0.015 0.000 1.203 599 H CB 1.365 31.051 29.762 -0.127 0.000 1.558 599 H HN 0.377 nan 8.280 nan 0.000 0.522 600 H N 2.220 121.400 119.070 0.184 0.000 3.089 600 H HA 0.047 4.602 4.556 -0.000 0.000 0.262 600 H C -0.513 174.918 175.328 0.171 0.000 1.160 600 H CA -0.470 55.678 56.048 0.166 0.000 1.482 600 H CB 0.164 29.990 29.762 0.105 0.000 1.511 600 H HN 0.520 nan 8.280 nan 0.000 0.483 601 D N 3.771 123.959 120.400 -0.354 0.000 2.344 601 D HA -0.038 4.602 4.640 -0.000 0.000 0.253 601 D C 0.988 176.983 176.300 -0.509 0.000 1.255 601 D CA 0.210 54.062 54.000 -0.247 0.000 0.894 601 D CB 0.783 41.638 40.800 0.092 0.000 1.067 601 D HN 0.797 nan 8.370 nan 0.000 0.492 602 T N 1.698 116.088 114.554 -0.274 0.000 2.915 602 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 602 T C 1.921 176.597 174.700 -0.039 0.000 1.071 602 T CA 0.211 62.267 62.100 -0.073 0.000 1.132 602 T CB 0.158 69.062 68.868 0.060 0.000 0.878 602 T HN 0.250 nan 8.240 nan 0.000 0.479 603 L N 2.460 123.652 121.223 -0.051 0.000 2.023 603 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 603 L C 2.998 179.845 176.870 -0.039 0.000 1.073 603 L CA 2.280 57.101 54.840 -0.031 0.000 0.745 603 L CB -2.211 39.831 42.059 -0.029 0.000 0.900 603 L HN 0.561 nan 8.230 nan 0.000 0.435 604 T N -4.126 110.389 114.554 -0.065 0.000 3.100 604 T HA -0.001 4.349 4.350 -0.000 0.000 0.253 604 T C 0.810 175.486 174.700 -0.041 0.000 1.118 604 T CA -0.154 61.907 62.100 -0.065 0.000 1.058 604 T CB 0.039 68.838 68.868 -0.115 0.000 0.953 604 T HN 0.141 nan 8.240 nan 0.000 0.515 605 K N 1.850 122.220 120.400 -0.050 0.000 3.129 605 K HA -0.128 4.191 4.320 -0.000 0.000 0.273 605 K C 0.213 176.868 176.600 0.091 0.000 1.123 605 K CA 1.286 57.604 56.287 0.052 0.000 0.800 605 K CB -2.858 29.698 32.500 0.093 0.000 1.238 605 K HN 0.871 nan 8.250 nan 0.000 0.492 606 T N -2.698 111.867 114.554 0.019 0.000 2.930 606 T HA 0.810 5.160 4.350 -0.000 0.000 0.290 606 T C 0.361 175.197 174.700 0.226 0.000 1.052 606 T CA -1.066 61.102 62.100 0.114 0.000 1.017 606 T CB 2.239 71.130 68.868 0.038 0.000 1.137 606 T HN 0.138 nan 8.240 nan 0.000 0.511 607 I N 2.837 123.596 120.570 0.315 0.000 2.330 607 I HA 0.505 4.674 4.170 -0.000 0.000 0.289 607 I C -0.198 176.247 176.117 0.547 0.000 1.001 607 I CA -0.739 60.808 61.300 0.412 0.000 1.193 607 I CB 0.603 38.801 38.000 0.330 0.000 1.345 607 I HN 0.941 nan 8.210 nan 0.000 0.461 608 H N 5.886 125.127 119.070 0.284 0.000 3.008 608 H HA 0.665 5.221 4.556 -0.000 0.000 0.354 608 H C -3.175 171.961 175.328 -0.320 0.000 1.252 608 H CA -2.241 53.819 56.048 0.020 0.000 1.117 608 H CB 2.031 31.790 29.762 -0.005 0.000 1.857 608 H HN 0.155 nan 8.280 nan 0.000 0.547 609 P HA 0.213 nan 4.420 nan 0.000 0.290 609 P C -1.049 176.074 177.300 -0.296 0.000 1.275 609 P CA -0.694 61.801 63.100 -1.008 0.000 0.841 609 P CB 1.931 32.700 31.700 -1.552 0.000 1.042 610 Q N 0.578 120.347 119.800 -0.052 0.000 2.365 610 Q HA 0.591 4.931 4.340 -0.000 0.000 0.269 610 Q C 0.092 176.161 176.000 0.115 0.000 1.061 610 Q CA -0.552 55.317 55.803 0.109 0.000 0.816 610 Q CB 2.826 31.603 28.738 0.066 0.000 1.325 610 Q HN 0.605 nan 8.270 nan 0.000 0.446 611 G N 0.506 109.248 108.800 -0.096 0.000 2.389 611 G HA2 0.360 4.320 3.960 -0.000 0.000 0.328 611 G HA3 0.360 4.320 3.960 -0.000 0.000 0.328 611 G C -0.390 174.253 174.900 -0.428 0.000 1.133 611 G CA -0.338 44.385 45.100 -0.629 0.000 0.891 611 G HN 0.427 nan 8.290 nan 0.000 0.485 612 S N -0.731 114.663 115.700 -0.509 0.000 2.576 612 S HA 0.311 4.781 4.470 -0.000 0.000 0.276 612 S C 1.516 175.859 174.600 -0.429 0.000 1.339 612 S CA 0.323 58.268 58.200 -0.425 0.000 1.039 612 S CB 0.749 63.646 63.200 -0.505 0.000 0.902 612 S HN 0.955 nan 8.310 nan 0.000 0.516 613 T N -0.162 114.216 114.554 -0.293 0.000 3.134 613 T HA 0.203 4.552 4.350 -0.000 0.000 0.260 613 T C 0.912 175.500 174.700 -0.186 0.000 1.027 613 T CA 0.369 62.353 62.100 -0.194 0.000 0.913 613 T CB -0.257 68.556 68.868 -0.093 0.000 1.046 613 T HN 0.706 nan 8.240 nan 0.000 0.553 614 T N -1.578 112.781 114.554 -0.326 0.000 3.080 614 T HA 0.324 4.674 4.350 -0.000 0.000 0.280 614 T C 0.052 174.547 174.700 -0.342 0.000 0.926 614 T CA -0.579 61.387 62.100 -0.224 0.000 0.883 614 T CB 0.114 68.904 68.868 -0.130 0.000 1.194 614 T HN 0.657 nan 8.240 nan 0.000 0.541 615 K N -0.039 119.943 120.400 -0.697 0.000 2.508 615 K HA 0.696 5.015 4.320 -0.000 0.000 0.260 615 K C -2.127 173.835 176.600 -1.063 0.000 0.949 615 K CA -0.998 54.917 56.287 -0.620 0.000 0.834 615 K CB 1.789 34.083 32.500 -0.345 0.000 1.365 615 K HN 0.081 nan 8.250 nan 0.000 0.437 616 Y N -0.244 119.960 120.300 -0.160 0.000 2.588 616 Y HA 0.469 5.019 4.550 -0.000 0.000 0.343 616 Y C -0.498 175.395 175.900 -0.011 0.000 1.065 616 Y CA -1.085 56.951 58.100 -0.106 0.000 1.038 616 Y CB 2.437 40.907 38.460 0.016 0.000 1.297 616 Y HN 0.387 nan 8.280 nan 0.000 0.467 617 R N 1.725 122.348 120.500 0.205 0.000 2.338 617 R HA 0.602 4.942 4.340 -0.000 0.000 0.317 617 R C -1.289 175.179 176.300 0.279 0.000 0.968 617 R CA -0.692 55.576 56.100 0.279 0.000 0.849 617 R CB 1.746 32.188 30.300 0.237 0.000 1.128 617 R HN 0.665 nan 8.270 nan 0.000 0.448 618 I N 4.309 125.068 120.570 0.315 0.000 2.441 618 I HA 0.439 4.609 4.170 -0.000 0.000 0.295 618 I C -1.058 175.246 176.117 0.313 0.000 0.994 618 I CA -0.793 60.682 61.300 0.293 0.000 1.144 618 I CB 1.127 39.311 38.000 0.308 0.000 1.314 618 I HN 0.537 nan 8.210 nan 0.000 0.445 619 I N 7.917 128.639 120.570 0.253 0.000 2.545 619 I HA 0.529 4.699 4.170 -0.000 0.000 0.292 619 I C -1.019 175.245 176.117 0.244 0.000 1.040 619 I CA -0.527 60.869 61.300 0.160 0.000 1.068 619 I CB 1.751 39.807 38.000 0.093 0.000 1.251 619 I HN 0.505 nan 8.210 nan 0.000 0.424 620 F N 2.419 122.395 119.950 0.044 0.000 2.713 620 F HA 0.571 5.098 4.527 -0.000 0.000 0.311 620 F C -1.076 174.708 175.800 -0.027 0.000 1.141 620 F CA -1.301 56.703 58.000 0.006 0.000 0.939 620 F CB 1.295 40.288 39.000 -0.013 0.000 1.325 620 F HN 0.213 nan 8.300 nan 0.000 0.453 621 K N 1.948 122.429 120.400 0.134 0.000 2.312 621 K HA 0.718 5.038 4.320 -0.000 0.000 0.287 621 K C -0.627 176.010 176.600 0.062 0.000 1.062 621 K CA -0.315 55.993 56.287 0.036 0.000 0.934 621 K CB 0.842 33.398 32.500 0.094 0.000 1.027 621 K HN 0.917 nan 8.250 nan 0.000 0.478 622 A N 4.697 127.468 122.820 -0.082 0.000 2.301 622 A HA 0.379 4.699 4.320 -0.000 0.000 0.312 622 A C -0.626 177.090 177.584 0.219 0.000 1.182 622 A CA -0.666 51.385 52.037 0.023 0.000 0.826 622 A CB 0.636 19.614 19.000 -0.037 0.000 1.134 622 A HN 0.876 nan 8.150 nan 0.000 0.501 623 R N 2.328 123.072 120.500 0.406 0.000 2.360 623 R HA 0.603 4.943 4.340 -0.000 0.000 0.318 623 R C -1.878 174.694 176.300 0.453 0.000 0.950 623 R CA -0.224 56.108 56.100 0.386 0.000 0.837 623 R CB 1.183 31.688 30.300 0.342 0.000 1.165 623 R HN 0.482 nan 8.270 nan 0.000 0.458 624 V N 6.315 126.458 119.914 0.382 0.000 2.638 624 V HA 0.446 4.565 4.120 -0.000 0.000 0.306 624 V C -2.253 173.774 176.094 -0.111 0.000 1.052 624 V CA -2.317 60.103 62.300 0.199 0.000 0.885 624 V CB 1.907 33.816 31.823 0.143 0.000 0.999 624 V HN 0.792 nan 8.190 nan 0.000 0.424 625 P HA 0.215 nan 4.420 nan 0.000 0.271 625 P C -2.740 174.088 177.300 -0.787 0.000 1.244 625 P CA -1.365 60.884 63.100 -1.419 0.000 0.793 625 P CB -0.284 30.754 31.700 -1.105 0.000 0.984 626 P HA 0.072 nan 4.420 nan 0.000 0.264 626 P C 0.126 177.387 177.300 -0.066 0.000 1.193 626 P CA 0.635 63.544 63.100 -0.318 0.000 0.763 626 P CB -0.261 31.317 31.700 -0.204 0.000 0.810 627 M N 0.260 119.865 119.600 0.010 0.000 2.253 627 M HA -0.217 4.262 4.480 -0.000 0.000 0.199 627 M C 0.581 177.092 176.300 0.350 0.000 0.342 627 M CA 1.026 56.476 55.300 0.251 0.000 0.417 627 M CB -2.042 30.793 32.600 0.392 0.000 1.338 627 M HN 0.592 nan 8.290 nan 0.000 0.920 628 G N -0.240 108.621 108.800 0.101 0.000 3.022 628 G HA2 0.934 4.894 3.960 -0.000 0.000 0.284 628 G HA3 0.934 4.894 3.960 -0.000 0.000 0.284 628 G C -1.340 173.701 174.900 0.234 0.000 1.375 628 G CA -0.974 44.154 45.100 0.047 0.000 0.902 628 G HN 0.175 nan 8.290 nan 0.000 0.538 629 L N -0.536 120.808 121.223 0.202 0.000 2.388 629 L HA 0.810 5.150 4.340 -0.000 0.000 0.264 629 L C -0.239 176.735 176.870 0.175 0.000 0.998 629 L CA -1.034 53.954 54.840 0.245 0.000 0.817 629 L CB 2.470 44.676 42.059 0.245 0.000 1.338 629 L HN 0.775 nan 8.230 nan 0.000 0.414 630 A N 0.742 123.705 122.820 0.239 0.000 2.455 630 A HA 0.817 5.137 4.320 -0.000 0.000 0.300 630 A C -0.826 176.914 177.584 0.259 0.000 1.040 630 A CA -0.449 51.711 52.037 0.205 0.000 0.697 630 A CB 1.802 20.971 19.000 0.281 0.000 1.265 630 A HN 0.555 nan 8.150 nan 0.000 0.407 631 T N 1.926 116.529 114.554 0.081 0.000 2.824 631 T HA 0.666 5.016 4.350 -0.000 0.000 0.280 631 T C -1.111 173.505 174.700 -0.139 0.000 0.995 631 T CA 0.196 62.385 62.100 0.149 0.000 1.009 631 T CB 0.434 69.382 68.868 0.134 0.000 0.955 631 T HN 0.438 nan 8.240 nan 0.000 0.452 632 Y N 0.226 120.605 120.300 0.131 0.000 2.605 632 Y HA 0.664 5.214 4.550 -0.000 0.000 0.343 632 Y C -0.372 175.443 175.900 -0.142 0.000 1.036 632 Y CA -1.126 56.967 58.100 -0.012 0.000 1.065 632 Y CB 1.751 40.226 38.460 0.025 0.000 1.288 632 Y HN 0.312 nan 8.280 nan 0.000 0.481 633 V N 2.924 122.792 119.914 -0.076 0.000 2.588 633 V HA 0.434 4.553 4.120 -0.000 0.000 0.304 633 V C -1.135 174.896 176.094 -0.106 0.000 1.042 633 V CA -0.782 61.413 62.300 -0.175 0.000 0.877 633 V CB 1.791 33.448 31.823 -0.277 0.000 0.996 633 V HN 0.410 nan 8.190 nan 0.000 0.425 634 L N 3.896 125.085 121.223 -0.057 0.000 2.296 634 L HA 0.716 5.056 4.340 -0.000 0.000 0.286 634 L C 0.268 177.152 176.870 0.024 0.000 1.023 634 L CA 0.421 55.244 54.840 -0.029 0.000 0.812 634 L CB 1.892 43.944 42.059 -0.011 0.000 1.223 634 L HN 0.719 nan 8.230 nan 0.000 0.421 635 T N 4.043 118.615 114.554 0.031 0.000 2.861 635 T HA 0.541 4.890 4.350 -0.000 0.000 0.287 635 T C -0.270 174.478 174.700 0.079 0.000 1.003 635 T CA -0.399 61.734 62.100 0.054 0.000 0.977 635 T CB 1.741 70.632 68.868 0.038 0.000 0.996 635 T HN 0.390 nan 8.240 nan 0.000 0.448 636 I N 2.944 123.569 120.570 0.092 0.000 2.612 636 I HA 0.578 4.748 4.170 -0.000 0.000 0.295 636 I C 0.223 176.403 176.117 0.104 0.000 1.011 636 I CA 0.114 61.484 61.300 0.117 0.000 1.326 636 I CB 0.830 38.902 38.000 0.120 0.000 1.427 636 I HN 0.837 nan 8.210 nan 0.000 0.537 637 S N 2.997 118.776 115.700 0.132 0.000 2.685 637 S HA 0.323 4.793 4.470 -0.000 0.000 0.282 637 S C -0.035 174.597 174.600 0.055 0.000 1.159 637 S CA -0.488 57.755 58.200 0.072 0.000 0.833 637 S CB 1.497 64.721 63.200 0.040 0.000 1.151 637 S HN 0.714 nan 8.310 nan 0.000 0.485 638 D N 0.117 120.487 120.400 -0.050 0.000 2.347 638 D HA 0.129 4.769 4.640 -0.000 0.000 0.213 638 D C 0.734 176.770 176.300 -0.440 0.000 0.985 638 D CA 0.742 54.675 54.000 -0.112 0.000 0.879 638 D CB -0.168 40.581 40.800 -0.084 0.000 0.919 638 D HN 0.667 nan 8.370 nan 0.000 0.526 639 S N -1.649 113.680 115.700 -0.619 0.000 2.688 639 S HA 0.376 4.846 4.470 -0.000 0.000 0.275 639 S C -0.765 173.393 174.600 -0.737 0.000 1.175 639 S CA -1.215 56.379 58.200 -1.010 0.000 0.818 639 S CB 1.415 64.323 63.200 -0.487 0.000 1.157 639 S HN -0.050 nan 8.310 nan 0.000 0.482 640 K N 1.981 122.066 120.400 -0.525 0.000 2.466 640 K HA 0.193 4.512 4.320 -0.000 0.000 0.278 640 K C -2.363 174.258 176.600 0.035 0.000 1.048 640 K CA -0.590 55.703 56.287 0.011 0.000 1.088 640 K CB -0.467 32.074 32.500 0.067 0.000 0.884 640 K HN 0.390 nan 8.250 nan 0.000 0.478 641 P HA 0.015 nan 4.420 nan 0.000 0.277 641 P C 0.460 177.777 177.300 0.029 0.000 1.240 641 P CA -0.370 62.772 63.100 0.069 0.000 0.798 641 P CB 0.783 32.547 31.700 0.106 0.000 0.979 642 E N 0.820 120.996 120.200 -0.040 0.000 2.118 642 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 642 E C 0.502 176.919 176.600 -0.305 0.000 0.992 642 E CA 1.182 57.461 56.400 -0.202 0.000 0.804 642 E CB -0.030 29.486 29.700 -0.306 0.000 0.741 642 E HN 0.474 nan 8.360 nan 0.000 0.458 643 H N -0.666 118.415 119.070 0.018 0.000 2.505 643 H HA 0.222 4.778 4.556 -0.000 0.000 0.286 643 H C -0.447 174.877 175.328 -0.007 0.000 1.072 643 H CA 0.181 56.234 56.048 0.010 0.000 1.141 643 H CB 0.742 30.509 29.762 0.008 0.000 1.550 643 H HN -0.049 nan 8.280 nan 0.000 0.547 644 T N 1.435 116.014 114.554 0.040 0.000 2.792 644 T HA 0.322 4.672 4.350 -0.000 0.000 0.280 644 T C 0.337 174.923 174.700 -0.189 0.000 0.990 644 T CA -0.693 61.362 62.100 -0.074 0.000 0.960 644 T CB 2.134 70.951 68.868 -0.084 0.000 0.939 644 T HN 0.266 nan 8.240 nan 0.000 0.439 645 S N 2.306 117.849 115.700 -0.263 0.000 2.718 645 S HA 0.780 5.249 4.470 -0.000 0.000 0.300 645 S C -1.405 172.849 174.600 -0.577 0.000 1.117 645 S CA -0.818 57.239 58.200 -0.239 0.000 1.002 645 S CB 0.880 64.052 63.200 -0.047 0.000 1.092 645 S HN 0.577 nan 8.310 nan 0.000 0.542 646 Y N 0.045 120.353 120.300 0.015 0.000 2.361 646 Y HA 0.646 5.196 4.550 -0.000 0.000 0.337 646 Y C 0.580 176.538 175.900 0.095 0.000 0.965 646 Y CA -0.770 57.326 58.100 -0.007 0.000 1.091 646 Y CB 1.674 39.998 38.460 -0.228 0.000 1.182 646 Y HN 1.040 nan 8.280 nan 0.000 0.450 647 A N 2.086 125.098 122.820 0.319 0.000 2.445 647 A HA 0.479 4.799 4.320 -0.000 0.000 0.242 647 A C 0.333 178.112 177.584 0.325 0.000 1.075 647 A CA -0.278 51.928 52.037 0.282 0.000 0.777 647 A CB -0.058 19.103 19.000 0.268 0.000 1.013 647 A HN 0.772 nan 8.150 nan 0.000 0.493 648 S N 1.937 117.765 115.700 0.213 0.000 2.652 648 S HA 0.531 5.001 4.470 -0.000 0.000 0.270 648 S C -0.319 174.376 174.600 0.158 0.000 1.243 648 S CA -0.857 57.453 58.200 0.184 0.000 0.999 648 S CB 0.704 63.971 63.200 0.111 0.000 0.973 648 S HN 0.696 nan 8.310 nan 0.000 0.544 649 N N 0.392 119.161 118.700 0.115 0.000 2.310 649 N HA 0.471 5.210 4.740 -0.000 0.000 0.292 649 N C -2.020 173.435 175.510 -0.092 0.000 1.049 649 N CA -0.525 52.553 53.050 0.046 0.000 0.849 649 N CB 2.029 40.630 38.487 0.189 0.000 1.532 649 N HN 0.585 nan 8.380 nan 0.000 0.479 650 L N 2.497 123.624 121.223 -0.159 0.000 2.406 650 L HA 0.497 4.837 4.340 -0.000 0.000 0.272 650 L C -1.472 175.248 176.870 -0.251 0.000 0.980 650 L CA -0.521 54.197 54.840 -0.205 0.000 0.831 650 L CB 1.497 43.490 42.059 -0.108 0.000 1.253 650 L HN 0.446 nan 8.230 nan 0.000 0.406 651 L N 6.640 127.669 121.223 -0.324 0.000 2.265 651 L HA 0.454 4.794 4.340 -0.000 0.000 0.289 651 L C -1.159 175.702 176.870 -0.015 0.000 1.033 651 L CA -0.433 54.290 54.840 -0.197 0.000 0.814 651 L CB 1.203 43.158 42.059 -0.173 0.000 1.203 651 L HN 0.688 nan 8.230 nan 0.000 0.423 652 L N 6.828 128.054 121.223 0.004 0.000 2.262 652 L HA 0.551 4.891 4.340 -0.000 0.000 0.288 652 L C -0.240 176.675 176.870 0.075 0.000 1.035 652 L CA -0.481 54.388 54.840 0.049 0.000 0.820 652 L CB 1.089 43.167 42.059 0.032 0.000 1.204 652 L HN 0.653 nan 8.230 nan 0.000 0.424 653 R N 2.227 122.781 120.500 0.091 0.000 2.739 653 R HA 0.407 4.747 4.340 -0.000 0.000 0.266 653 R C -1.736 174.601 176.300 0.061 0.000 1.044 653 R CA -0.992 55.154 56.100 0.077 0.000 0.885 653 R CB 1.069 31.417 30.300 0.080 0.000 1.260 653 R HN 0.138 nan 8.270 nan 0.000 0.477 654 K N 1.604 122.028 120.400 0.040 0.000 2.168 654 K HA 0.179 4.499 4.320 -0.000 0.000 0.258 654 K C -0.152 176.448 176.600 -0.001 0.000 1.010 654 K CA -0.442 55.857 56.287 0.021 0.000 0.929 654 K CB 0.341 32.852 32.500 0.017 0.000 0.998 654 K HN 0.826 nan 8.250 nan 0.000 0.479 655 N N 1.001 119.688 118.700 -0.021 0.000 2.756 655 N HA -0.115 4.625 4.740 -0.000 0.000 0.248 655 N C -2.352 173.110 175.510 -0.081 0.000 1.062 655 N CA 0.054 53.074 53.050 -0.051 0.000 0.696 655 N CB -0.553 37.906 38.487 -0.047 0.000 0.946 655 N HN 0.470 nan 8.380 nan 0.000 0.548 656 P HA 0.207 nan 4.420 nan 0.000 0.276 656 P C -0.104 177.033 177.300 -0.272 0.000 1.252 656 P CA 0.091 63.090 63.100 -0.168 0.000 0.802 656 P CB 1.073 32.634 31.700 -0.232 0.000 1.035 657 T N -2.945 111.452 114.554 -0.261 0.000 2.916 657 T HA 0.500 4.849 4.350 -0.000 0.000 0.292 657 T C 0.280 174.811 174.700 -0.281 0.000 1.064 657 T CA -0.733 61.216 62.100 -0.251 0.000 1.011 657 T CB 0.637 69.429 68.868 -0.127 0.000 1.152 657 T HN 0.482 nan 8.240 nan 0.000 0.510 658 S N 0.589 116.176 115.700 -0.188 0.000 2.576 658 S HA 0.432 4.902 4.470 -0.000 0.000 0.272 658 S C -0.125 174.583 174.600 0.180 0.000 1.352 658 S CA -0.795 57.393 58.200 -0.021 0.000 1.021 658 S CB -0.287 62.918 63.200 0.009 0.000 0.887 658 S HN 0.707 nan 8.310 nan 0.000 0.542 659 L N 1.931 123.355 121.223 0.336 0.000 2.470 659 L HA 0.363 4.702 4.340 -0.000 0.000 0.256 659 L C -2.405 174.574 176.870 0.182 0.000 1.357 659 L CA -1.591 53.423 54.840 0.289 0.000 0.902 659 L CB 1.599 43.914 42.059 0.426 0.000 1.121 659 L HN 0.586 nan 8.230 nan 0.000 0.507 660 P HA 0.165 nan 4.420 nan 0.000 0.272 660 P C -0.041 177.256 177.300 -0.005 0.000 1.223 660 P CA -0.147 62.989 63.100 0.060 0.000 0.784 660 P CB 1.659 33.383 31.700 0.040 0.000 0.923 661 L N 0.975 122.203 121.223 0.009 0.000 3.347 661 L HA 0.286 4.626 4.340 -0.000 0.000 0.306 661 L C 1.350 178.275 176.870 0.091 0.000 1.301 661 L CA -0.097 54.723 54.840 -0.033 0.000 0.985 661 L CB 0.011 42.036 42.059 -0.057 0.000 1.400 661 L HN 0.745 nan 8.230 nan 0.000 0.601 662 G N 1.071 109.906 108.800 0.057 0.000 2.583 662 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.292 662 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.292 662 G C 0.469 175.431 174.900 0.105 0.000 1.203 662 G CA 0.585 45.743 45.100 0.097 0.000 0.987 662 G HN 0.453 nan 8.290 nan 0.000 0.554 663 Q N -0.446 119.414 119.800 0.099 0.000 2.444 663 Q HA 0.217 4.557 4.340 -0.000 0.000 0.206 663 Q C 0.736 176.592 176.000 -0.241 0.000 0.948 663 Q CA 0.113 55.866 55.803 -0.083 0.000 0.946 663 Q CB 0.300 28.910 28.738 -0.214 0.000 1.027 663 Q HN 0.492 nan 8.270 nan 0.000 0.513 664 Y N 3.604 123.738 120.300 -0.277 0.000 2.721 664 Y HA -0.039 4.511 4.550 -0.000 0.000 0.329 664 Y C -1.456 174.293 175.900 -0.252 0.000 1.211 664 Y CA -1.529 56.364 58.100 -0.345 0.000 1.512 664 Y CB 0.830 39.241 38.460 -0.082 0.000 1.249 664 Y HN 0.053 nan 8.280 nan 0.000 0.549 665 P HA -0.026 nan 4.420 nan 0.000 0.249 665 P C -0.686 176.447 177.300 -0.277 0.000 1.229 665 P CA 0.604 63.440 63.100 -0.440 0.000 0.788 665 P CB 0.328 31.682 31.700 -0.577 0.000 1.072 666 E N 0.935 121.011 120.200 -0.207 0.000 2.165 666 E HA 0.234 4.583 4.350 -0.000 0.000 0.266 666 E C -0.804 175.910 176.600 0.191 0.000 0.889 666 E CA -0.761 55.660 56.400 0.036 0.000 0.756 666 E CB 0.567 30.318 29.700 0.085 0.000 1.131 666 E HN -0.176 nan 8.360 nan 0.000 0.411 667 D N 2.773 123.247 120.400 0.123 0.000 2.382 667 D HA 0.077 4.717 4.640 -0.000 0.000 0.245 667 D C -0.067 176.298 176.300 0.109 0.000 1.120 667 D CA -0.135 53.943 54.000 0.131 0.000 0.890 667 D CB 1.126 41.991 40.800 0.108 0.000 1.201 667 D HN 0.207 nan 8.370 nan 0.000 0.433 668 V N 2.704 122.669 119.914 0.085 0.000 2.763 668 V HA -0.040 4.079 4.120 -0.000 0.000 0.306 668 V C 0.629 176.561 176.094 -0.270 0.000 1.059 668 V CA 0.252 62.499 62.300 -0.087 0.000 1.138 668 V CB 0.465 32.214 31.823 -0.124 0.000 0.940 668 V HN 0.383 nan 8.190 nan 0.000 0.489 669 K N 3.345 123.518 120.400 -0.379 0.000 2.166 669 K HA 0.745 5.065 4.320 -0.000 0.000 0.245 669 K C -1.015 175.185 176.600 -0.668 0.000 0.967 669 K CA -0.219 55.880 56.287 -0.314 0.000 0.863 669 K CB 1.234 33.673 32.500 -0.102 0.000 1.107 669 K HN 0.400 nan 8.250 nan 0.000 0.436 670 F N -0.532 119.433 119.950 0.025 0.000 2.577 670 F HA 0.789 5.316 4.527 -0.000 0.000 0.318 670 F C 0.565 176.372 175.800 0.012 0.000 1.065 670 F CA -0.634 57.373 58.000 0.012 0.000 0.929 670 F CB 2.762 41.768 39.000 0.011 0.000 1.237 670 F HN 0.529 nan 8.300 nan 0.000 0.468 671 G N 0.443 109.356 108.800 0.188 0.000 2.646 671 G HA2 0.403 4.362 3.960 -0.000 0.000 0.291 671 G HA3 0.403 4.362 3.960 -0.000 0.000 0.291 671 G C -2.095 172.862 174.900 0.095 0.000 1.445 671 G CA -0.857 44.311 45.100 0.113 0.000 0.814 671 G HN 0.371 nan 8.290 nan 0.000 0.495 672 D N 0.736 121.178 120.400 0.070 0.000 2.368 672 D HA 0.344 4.984 4.640 -0.000 0.000 0.240 672 D C -1.991 174.341 176.300 0.054 0.000 1.169 672 D CA -0.543 53.491 54.000 0.057 0.000 0.906 672 D CB 0.825 41.651 40.800 0.044 0.000 1.187 672 D HN -0.000 nan 8.370 nan 0.000 0.435 673 P HA 0.045 nan 4.420 nan 0.000 0.263 673 P C -0.479 176.851 177.300 0.051 0.000 1.175 673 P CA 0.515 63.647 63.100 0.054 0.000 0.761 673 P CB 0.402 32.136 31.700 0.056 0.000 0.794 674 R N 0.525 121.057 120.500 0.054 0.000 2.690 674 R HA 0.416 4.756 4.340 -0.000 0.000 0.269 674 R C -1.141 175.199 176.300 0.067 0.000 1.037 674 R CA -1.041 55.090 56.100 0.052 0.000 0.877 674 R CB 1.099 31.425 30.300 0.044 0.000 1.255 674 R HN 0.227 nan 8.270 nan 0.000 0.467 675 E N 1.487 121.726 120.200 0.065 0.000 2.398 675 E HA 0.173 4.522 4.350 -0.000 0.000 0.263 675 E C -0.182 176.474 176.600 0.094 0.000 1.046 675 E CA -0.085 56.367 56.400 0.087 0.000 0.908 675 E CB 0.723 30.457 29.700 0.057 0.000 0.963 675 E HN 0.227 nan 8.360 nan 0.000 0.431 676 I N 1.402 122.061 120.570 0.149 0.000 2.686 676 I HA 0.167 4.337 4.170 -0.000 0.000 0.295 676 I C -0.350 175.911 176.117 0.239 0.000 1.114 676 I CA -0.368 61.029 61.300 0.162 0.000 1.038 676 I CB 1.985 40.061 38.000 0.127 0.000 1.238 676 I HN 0.397 nan 8.210 nan 0.000 0.420 677 S N 6.785 122.594 115.700 0.182 0.000 2.513 677 S HA 0.882 5.352 4.470 -0.000 0.000 0.299 677 S C -1.252 173.467 174.600 0.199 0.000 1.087 677 S CA -0.467 57.853 58.200 0.200 0.000 1.012 677 S CB 1.400 64.666 63.200 0.109 0.000 1.044 677 S HN 0.475 nan 8.310 nan 0.000 0.485 678 L N 3.278 124.647 121.223 0.244 0.000 2.409 678 L HA 0.693 5.033 4.340 -0.000 0.000 0.262 678 L C -0.390 176.576 176.870 0.160 0.000 0.992 678 L CA -0.752 54.201 54.840 0.188 0.000 0.817 678 L CB 2.427 44.608 42.059 0.203 0.000 1.350 678 L HN 0.710 nan 8.230 nan 0.000 0.411 679 R N 1.743 122.313 120.500 0.117 0.000 2.533 679 R HA 0.668 5.008 4.340 -0.000 0.000 0.288 679 R C -1.994 174.354 176.300 0.080 0.000 1.039 679 R CA -0.488 55.668 56.100 0.095 0.000 0.909 679 R CB 2.234 32.581 30.300 0.079 0.000 1.195 679 R HN 0.409 nan 8.270 nan 0.000 0.438 680 V N 4.672 124.631 119.914 0.076 0.000 2.427 680 V HA 0.551 4.670 4.120 -0.000 0.000 0.286 680 V C 1.116 177.242 176.094 0.054 0.000 1.034 680 V CA 0.638 62.977 62.300 0.065 0.000 0.893 680 V CB 1.068 32.931 31.823 0.067 0.000 0.982 680 V HN 1.117 nan 8.190 nan 0.000 0.452 681 G N 4.793 113.623 108.800 0.049 0.000 2.582 681 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.288 681 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.288 681 G C 0.398 175.320 174.900 0.036 0.000 1.247 681 G CA 0.603 45.728 45.100 0.041 0.000 0.972 681 G HN 1.084 nan 8.290 nan 0.000 0.557 682 N N 1.200 119.917 118.700 0.029 0.000 2.321 682 N HA 0.355 5.095 4.740 -0.000 0.000 0.242 682 N C 0.951 176.472 175.510 0.019 0.000 1.141 682 N CA 0.213 53.277 53.050 0.023 0.000 0.864 682 N CB 0.702 39.199 38.487 0.017 0.000 1.100 682 N HN 0.836 nan 8.380 nan 0.000 0.510 683 G N 1.974 110.789 108.800 0.026 0.000 2.516 683 G HA2 0.252 4.212 3.960 -0.000 0.000 0.276 683 G HA3 0.252 4.212 3.960 -0.000 0.000 0.276 683 G C -2.318 172.596 174.900 0.023 0.000 1.390 683 G CA -0.863 44.252 45.100 0.024 0.000 1.050 683 G HN 0.063 nan 8.290 nan 0.000 0.519 684 P HA 0.213 nan 4.420 nan 0.000 0.274 684 P C -0.517 176.807 177.300 0.039 0.000 1.237 684 P CA -0.016 63.093 63.100 0.015 0.000 0.793 684 P CB 0.863 32.568 31.700 0.007 0.000 0.977 685 T N 2.420 116.996 114.554 0.038 0.000 2.749 685 T HA 0.441 4.791 4.350 -0.000 0.000 0.287 685 T C 0.040 174.783 174.700 0.071 0.000 0.970 685 T CA -0.353 61.793 62.100 0.078 0.000 0.980 685 T CB 0.049 68.980 68.868 0.105 0.000 0.924 685 T HN 0.175 nan 8.240 nan 0.000 0.456 686 L N 2.795 124.064 121.223 0.078 0.000 2.307 686 L HA 0.767 5.107 4.340 -0.000 0.000 0.284 686 L C 0.204 177.018 176.870 -0.093 0.000 1.023 686 L CA -1.110 53.697 54.840 -0.056 0.000 0.810 686 L CB 1.504 43.525 42.059 -0.062 0.000 1.231 686 L HN 0.643 nan 8.230 nan 0.000 0.423 687 A N 3.343 126.010 122.820 -0.254 0.000 2.337 687 A HA 0.859 5.179 4.320 -0.000 0.000 0.329 687 A C -1.213 176.131 177.584 -0.401 0.000 1.146 687 A CA -0.321 51.621 52.037 -0.159 0.000 0.800 687 A CB 0.834 19.784 19.000 -0.083 0.000 1.220 687 A HN 0.502 nan 8.150 nan 0.000 0.472 688 F N 0.937 120.926 119.950 0.065 0.000 2.532 688 F HA 0.523 5.050 4.527 -0.000 0.000 0.321 688 F C 1.106 176.948 175.800 0.071 0.000 1.089 688 F CA -0.308 57.747 58.000 0.092 0.000 0.926 688 F CB 2.172 41.230 39.000 0.097 0.000 1.168 688 F HN 0.677 nan 8.300 nan 0.000 0.459 689 S N 0.238 116.090 115.700 0.253 0.000 2.596 689 S HA 0.073 4.543 4.470 -0.000 0.000 0.260 689 S C 1.114 175.817 174.600 0.173 0.000 1.336 689 S CA -0.007 58.293 58.200 0.166 0.000 0.993 689 S CB 0.716 64.010 63.200 0.157 0.000 0.923 689 S HN 0.868 nan 8.310 nan 0.000 0.567 690 E N 0.001 120.270 120.200 0.116 0.000 2.333 690 E HA -0.208 4.142 4.350 -0.000 0.000 0.198 690 E C 1.332 177.996 176.600 0.108 0.000 1.007 690 E CA 1.058 57.517 56.400 0.100 0.000 0.845 690 E CB -0.372 29.371 29.700 0.071 0.000 0.766 690 E HN 0.766 nan 8.360 nan 0.000 0.507 691 Q N -0.093 119.785 119.800 0.130 0.000 2.320 691 Q HA 0.214 4.554 4.340 -0.000 0.000 0.201 691 Q C 0.832 176.926 176.000 0.157 0.000 0.910 691 Q CA 0.529 56.410 55.803 0.129 0.000 0.946 691 Q CB 0.938 29.754 28.738 0.130 0.000 1.062 691 Q HN 0.489 nan 8.270 nan 0.000 0.503 692 G N 0.141 109.056 108.800 0.192 0.000 2.132 692 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.234 692 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.234 692 G C -0.354 174.777 174.900 0.384 0.000 0.989 692 G CA -0.232 44.990 45.100 0.203 0.000 0.676 692 G HN 0.242 nan 8.290 nan 0.000 0.522 693 L N -0.109 121.381 121.223 0.444 0.000 2.334 693 L HA 0.712 5.051 4.340 -0.000 0.000 0.276 693 L C 0.701 177.872 176.870 0.500 0.000 1.014 693 L CA -1.310 53.837 54.840 0.512 0.000 0.815 693 L CB 1.650 43.913 42.059 0.341 0.000 1.268 693 L HN 0.131 nan 8.230 nan 0.000 0.428 694 L N 2.862 124.359 121.223 0.456 0.000 2.559 694 L HA -0.048 4.291 4.340 -0.000 0.000 0.282 694 L C 0.949 177.890 176.870 0.118 0.000 1.232 694 L CA 1.113 55.965 54.840 0.020 0.000 0.885 694 L CB 0.064 42.169 42.059 0.077 0.000 1.131 694 L HN 0.688 nan 8.230 nan 0.000 0.498 695 K N 1.016 121.377 120.400 -0.064 0.000 2.424 695 K HA 0.234 4.554 4.320 -0.000 0.000 0.198 695 K C -0.393 176.138 176.600 -0.115 0.000 1.190 695 K CA 0.631 56.888 56.287 -0.049 0.000 0.935 695 K CB 0.532 32.978 32.500 -0.090 0.000 1.087 695 K HN 0.839 nan 8.250 nan 0.000 0.524 696 S N -0.435 115.174 115.700 -0.151 0.000 2.565 696 S HA 0.506 4.976 4.470 -0.000 0.000 0.269 696 S C -1.002 173.537 174.600 -0.101 0.000 1.153 696 S CA -1.031 57.105 58.200 -0.106 0.000 0.835 696 S CB 1.433 64.609 63.200 -0.039 0.000 1.122 696 S HN 0.069 nan 8.310 nan 0.000 0.462 697 I N 1.414 121.947 120.570 -0.062 0.000 2.466 697 I HA 0.441 4.610 4.170 -0.000 0.000 0.289 697 I C -0.491 175.605 176.117 -0.036 0.000 1.026 697 I CA -0.390 60.881 61.300 -0.049 0.000 1.078 697 I CB 2.076 40.034 38.000 -0.069 0.000 1.249 697 I HN 0.723 nan 8.210 nan 0.000 0.429 698 Q N 6.057 125.832 119.800 -0.042 0.000 2.372 698 Q HA 0.405 4.745 4.340 -0.000 0.000 0.259 698 Q C 0.043 175.982 176.000 -0.102 0.000 0.993 698 Q CA -0.480 55.229 55.803 -0.156 0.000 0.854 698 Q CB 1.579 30.102 28.738 -0.358 0.000 1.231 698 Q HN 0.785 nan 8.270 nan 0.000 0.462 699 L N 2.198 123.367 121.223 -0.091 0.000 2.109 699 L HA 0.012 4.352 4.340 -0.000 0.000 0.207 699 L C 1.164 178.003 176.870 -0.051 0.000 1.086 699 L CA 1.100 55.905 54.840 -0.058 0.000 0.760 699 L CB -0.072 41.954 42.059 -0.054 0.000 0.910 699 L HN 0.665 nan 8.230 nan 0.000 0.437 700 T N -6.243 108.270 114.554 -0.068 0.000 2.901 700 T HA 0.125 4.475 4.350 -0.000 0.000 0.293 700 T C 0.450 175.111 174.700 -0.065 0.000 1.084 700 T CA -0.740 61.329 62.100 -0.052 0.000 1.008 700 T CB 2.034 70.876 68.868 -0.043 0.000 1.170 700 T HN -0.149 nan 8.240 nan 0.000 0.509 701 Q N 0.471 120.248 119.800 -0.038 0.000 2.234 701 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 701 Q C 1.278 177.254 176.000 -0.041 0.000 0.980 701 Q CA 2.328 58.114 55.803 -0.028 0.000 0.869 701 Q CB -0.161 28.573 28.738 -0.006 0.000 0.912 701 Q HN 0.857 nan 8.270 nan 0.000 0.436 702 D N -0.801 119.571 120.400 -0.047 0.000 2.216 702 D HA -0.048 4.591 4.640 -0.000 0.000 0.208 702 D C 1.212 177.470 176.300 -0.071 0.000 0.960 702 D CA 0.513 54.487 54.000 -0.043 0.000 0.861 702 D CB -0.292 40.489 40.800 -0.031 0.000 0.985 702 D HN 0.101 nan 8.370 nan 0.000 0.493 703 S N 1.400 117.041 115.700 -0.098 0.000 2.617 703 S HA 0.309 4.779 4.470 -0.000 0.000 0.259 703 S C -2.565 171.933 174.600 -0.171 0.000 1.301 703 S CA -1.030 57.105 58.200 -0.108 0.000 0.984 703 S CB 0.731 63.873 63.200 -0.097 0.000 0.954 703 S HN -0.154 nan 8.310 nan 0.000 0.572 704 P HA 0.222 nan 4.420 nan 0.000 0.274 704 P C -0.672 176.511 177.300 -0.196 0.000 1.231 704 P CA -0.281 62.749 63.100 -0.117 0.000 0.790 704 P CB 0.148 31.830 31.700 -0.031 0.000 0.951 705 H N 0.651 119.710 119.070 -0.018 0.000 3.089 705 H HA 0.128 4.684 4.556 -0.000 0.000 0.262 705 H C -0.122 175.179 175.328 -0.046 0.000 1.160 705 H CA -0.147 55.880 56.048 -0.034 0.000 1.482 705 H CB -0.238 29.505 29.762 -0.031 0.000 1.511 705 H HN 0.103 nan 8.280 nan 0.000 0.483 706 V N 7.191 127.107 119.914 0.003 0.000 2.455 706 V HA 0.075 4.195 4.120 -0.000 0.000 0.273 706 V C -1.864 174.180 176.094 -0.083 0.000 1.045 706 V CA -1.616 60.664 62.300 -0.033 0.000 0.976 706 V CB 0.869 32.663 31.823 -0.049 0.000 0.993 706 V HN 0.550 nan 8.190 nan 0.000 0.475 707 P HA 0.189 nan 4.420 nan 0.000 0.267 707 P C -0.801 176.358 177.300 -0.234 0.000 1.209 707 P CA 0.183 63.136 63.100 -0.246 0.000 0.763 707 P CB 0.545 31.942 31.700 -0.504 0.000 0.816 708 V N 4.116 123.921 119.914 -0.181 0.000 2.555 708 V HA 0.197 4.317 4.120 -0.000 0.000 0.283 708 V C -0.665 175.332 176.094 -0.162 0.000 1.020 708 V CA -0.398 61.782 62.300 -0.199 0.000 0.883 708 V CB 1.000 32.694 31.823 -0.216 0.000 1.030 708 V HN 0.630 nan 8.190 nan 0.000 0.448 709 H N 4.592 123.501 119.070 -0.269 0.000 2.505 709 H HA 0.577 5.133 4.556 -0.000 0.000 0.338 709 H C -1.402 173.802 175.328 -0.206 0.000 1.057 709 H CA -0.679 55.255 56.048 -0.190 0.000 1.202 709 H CB 1.298 30.989 29.762 -0.118 0.000 1.466 709 H HN 0.439 nan 8.280 nan 0.000 0.499 710 F N 3.716 123.409 119.950 -0.429 0.000 2.384 710 F HA 0.313 4.840 4.527 -0.000 0.000 0.338 710 F C 0.323 175.623 175.800 -0.833 0.000 1.103 710 F CA -0.033 57.647 58.000 -0.534 0.000 1.157 710 F CB 1.131 39.941 39.000 -0.315 0.000 1.167 710 F HN 0.442 nan 8.300 nan 0.000 0.529 711 K N 3.027 123.161 120.400 -0.444 0.000 2.523 711 K HA 0.503 4.823 4.320 -0.000 0.000 0.257 711 K C -1.942 174.401 176.600 -0.428 0.000 0.932 711 K CA -0.560 55.510 56.287 -0.362 0.000 0.812 711 K CB 1.310 33.653 32.500 -0.262 0.000 1.326 711 K HN 0.391 nan 8.250 nan 0.000 0.433 712 F N 3.965 123.831 119.950 -0.139 0.000 2.420 712 F HA 0.492 5.019 4.527 -0.000 0.000 0.342 712 F C -0.351 175.403 175.800 -0.078 0.000 1.113 712 F CA -0.570 57.364 58.000 -0.110 0.000 1.059 712 F CB 1.134 40.056 39.000 -0.129 0.000 1.128 712 F HN 0.237 nan 8.300 nan 0.000 0.475 713 L N 2.712 123.981 121.223 0.076 0.000 2.277 713 L HA 0.635 4.975 4.340 -0.000 0.000 0.254 713 L C -1.192 175.672 176.870 -0.011 0.000 1.044 713 L CA -1.021 53.811 54.840 -0.014 0.000 0.842 713 L CB 2.240 44.228 42.059 -0.117 0.000 1.422 713 L HN 0.455 nan 8.230 nan 0.000 0.422 714 K N -0.181 120.173 120.400 -0.076 0.000 2.427 714 K HA 0.654 4.974 4.320 -0.000 0.000 0.252 714 K C -1.796 174.739 176.600 -0.109 0.000 0.931 714 K CA -0.809 55.464 56.287 -0.022 0.000 0.793 714 K CB 1.795 34.312 32.500 0.027 0.000 1.211 714 K HN 0.226 nan 8.250 nan 0.000 0.426 715 Y N 0.479 120.837 120.300 0.096 0.000 2.352 715 Y HA 0.509 5.059 4.550 -0.000 0.000 0.326 715 Y C 1.034 176.988 175.900 0.089 0.000 1.166 715 Y CA -0.035 58.133 58.100 0.113 0.000 1.182 715 Y CB 2.029 40.622 38.460 0.222 0.000 1.216 715 Y HN 0.891 nan 8.280 nan 0.000 0.474 716 G N 0.534 109.474 108.800 0.232 0.000 2.971 716 G HA2 0.640 4.600 3.960 -0.000 0.000 0.235 716 G HA3 0.640 4.600 3.960 -0.000 0.000 0.235 716 G C -1.410 173.559 174.900 0.115 0.000 1.351 716 G CA -0.730 44.452 45.100 0.138 0.000 1.039 716 G HN 0.438 nan 8.290 nan 0.000 0.563 717 V N -0.234 119.714 119.914 0.057 0.000 2.914 717 V HA 0.479 4.599 4.120 -0.000 0.000 0.314 717 V C -0.038 176.040 176.094 -0.027 0.000 1.084 717 V CA -0.872 61.439 62.300 0.018 0.000 0.963 717 V CB 1.984 33.823 31.823 0.027 0.000 1.025 717 V HN 0.674 nan 8.190 nan 0.000 0.432 718 R N 1.146 121.599 120.500 -0.078 0.000 2.543 718 R HA 0.218 4.557 4.340 -0.000 0.000 0.277 718 R C 1.062 177.286 176.300 -0.127 0.000 1.074 718 R CA 0.436 56.436 56.100 -0.167 0.000 1.076 718 R CB 0.604 30.756 30.300 -0.247 0.000 0.993 718 R HN 0.906 nan 8.270 nan 0.000 0.459 719 S N 0.784 116.403 115.700 -0.136 0.000 2.535 719 S HA 0.002 4.472 4.470 -0.000 0.000 0.214 719 S C 0.044 174.698 174.600 0.090 0.000 0.980 719 S CA -0.268 57.940 58.200 0.013 0.000 0.907 719 S CB -0.232 63.026 63.200 0.096 0.000 0.790 719 S HN 0.801 nan 8.310 nan 0.000 0.510 720 H N -1.842 117.228 119.070 0.001 0.000 2.821 720 H HA 0.791 5.346 4.556 -0.001 0.000 0.373 720 H C 0.689 176.013 175.328 -0.005 0.000 1.165 720 H CA -0.643 55.404 56.048 -0.002 0.000 1.154 720 H CB 1.102 30.863 29.762 -0.002 0.000 1.765 720 H HN 0.309 nan 8.280 nan 0.000 0.549 721 G N 1.193 110.034 108.800 0.068 0.000 2.512 721 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.240 721 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.240 721 G C -1.133 173.753 174.900 -0.024 0.000 1.246 721 G CA -0.121 44.986 45.100 0.013 0.000 0.919 721 G HN 0.799 nan 8.290 nan 0.000 0.577 722 D N 1.459 121.836 120.400 -0.039 0.000 2.302 722 D HA 0.559 5.199 4.640 -0.000 0.000 0.248 722 D C 0.752 177.021 176.300 -0.051 0.000 1.094 722 D CA -0.147 53.829 54.000 -0.040 0.000 0.897 722 D CB 0.796 41.572 40.800 -0.040 0.000 1.200 722 D HN 0.358 nan 8.370 nan 0.000 0.429 723 R N 0.906 121.384 120.500 -0.037 0.000 2.368 723 R HA 0.337 4.677 4.340 -0.000 0.000 0.302 723 R C 0.036 176.323 176.300 -0.022 0.000 1.002 723 R CA -0.650 55.434 56.100 -0.028 0.000 0.929 723 R CB 0.730 31.023 30.300 -0.012 0.000 1.073 723 R HN 0.271 nan 8.270 nan 0.000 0.464 724 S N 0.334 116.030 115.700 -0.006 0.000 2.563 724 S HA 0.429 4.898 4.470 -0.000 0.000 0.284 724 S C 0.686 175.302 174.600 0.026 0.000 1.331 724 S CA 0.350 58.564 58.200 0.023 0.000 1.047 724 S CB 0.856 64.102 63.200 0.076 0.000 0.859 724 S HN 0.757 nan 8.310 nan 0.000 0.514 725 G N -0.081 108.735 108.800 0.028 0.000 2.846 725 G HA2 0.587 4.547 3.960 -0.000 0.000 0.299 725 G HA3 0.587 4.547 3.960 -0.000 0.000 0.299 725 G C 0.542 175.463 174.900 0.034 0.000 1.242 725 G CA -0.118 45.006 45.100 0.040 0.000 0.800 725 G HN 0.706 nan 8.290 nan 0.000 0.538 726 A N -1.249 121.585 122.820 0.023 0.000 1.978 726 A HA 0.078 4.398 4.320 -0.000 0.000 0.220 726 A C 1.935 179.442 177.584 -0.129 0.000 1.170 726 A CA 2.006 54.003 52.037 -0.066 0.000 0.636 726 A CB -0.632 18.271 19.000 -0.162 0.000 0.810 726 A HN 0.585 nan 8.150 nan 0.000 0.448 727 Y N -0.743 119.488 120.300 -0.115 0.000 2.266 727 Y HA 0.326 4.875 4.550 -0.000 0.000 0.294 727 Y C 0.911 176.688 175.900 -0.206 0.000 1.127 727 Y CA 0.131 58.084 58.100 -0.246 0.000 1.140 727 Y CB -0.166 37.796 38.460 -0.830 0.000 1.071 727 Y HN 0.029 nan 8.280 nan 0.000 0.525 728 L N 0.448 121.623 121.223 -0.079 0.000 2.334 728 L HA 0.207 4.547 4.340 -0.000 0.000 0.277 728 L C -1.088 175.826 176.870 0.073 0.000 1.075 728 L CA -0.600 54.197 54.840 -0.072 0.000 0.804 728 L CB 0.927 42.897 42.059 -0.149 0.000 1.174 728 L HN 0.019 nan 8.230 nan 0.000 0.438 729 F N 4.748 124.635 119.950 -0.105 0.000 2.361 729 F HA 0.477 5.003 4.527 -0.000 0.000 0.364 729 F C -0.694 175.023 175.800 -0.138 0.000 1.117 729 F CA -1.145 56.756 58.000 -0.166 0.000 1.071 729 F CB 0.651 39.485 39.000 -0.276 0.000 1.188 729 F HN 0.209 nan 8.300 nan 0.000 0.464 730 L N 9.170 130.283 121.223 -0.183 0.000 2.556 730 L HA 0.331 4.670 4.340 -0.000 0.000 0.243 730 L C -2.347 174.337 176.870 -0.309 0.000 1.331 730 L CA -1.726 52.955 54.840 -0.265 0.000 0.927 730 L CB 1.012 43.002 42.059 -0.115 0.000 1.219 730 L HN 0.396 nan 8.230 nan 0.000 0.490 731 P HA 0.053 nan 4.420 nan 0.000 0.272 731 P C -0.539 176.671 177.300 -0.150 0.000 1.230 731 P CA -0.332 62.583 63.100 -0.308 0.000 0.788 731 P CB 0.581 31.979 31.700 -0.503 0.000 0.949 732 N N 0.798 119.478 118.700 -0.033 0.000 3.250 732 N HA 0.282 5.022 4.740 -0.000 0.000 0.307 732 N C 0.707 176.223 175.510 0.009 0.000 1.355 732 N CA -0.181 52.848 53.050 -0.035 0.000 1.192 732 N CB -0.824 37.649 38.487 -0.024 0.000 1.478 732 N HN 0.747 nan 8.380 nan 0.000 0.543 733 G N 0.825 109.629 108.800 0.007 0.000 2.655 733 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.680 733 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.680 733 G C -3.026 171.945 174.900 0.118 0.000 1.302 733 G CA -1.084 44.038 45.100 0.038 0.000 0.872 733 G HN 0.375 nan 8.290 nan 0.000 0.540 734 P HA 0.456 nan 4.420 nan 0.000 0.269 734 P C 0.528 177.789 177.300 -0.065 0.000 1.217 734 P CA 0.650 63.811 63.100 0.100 0.000 0.783 734 P CB 0.315 32.040 31.700 0.042 0.000 0.898 735 A N 1.973 124.562 122.820 -0.386 0.000 2.425 735 A HA 0.368 4.688 4.320 -0.000 0.000 0.242 735 A C 0.232 177.663 177.584 -0.255 0.000 1.077 735 A CA 0.284 51.941 52.037 -0.635 0.000 0.781 735 A CB -0.272 18.066 19.000 -1.104 0.000 1.020 735 A HN 0.471 nan 8.150 nan 0.000 0.494 736 S N 2.319 117.910 115.700 -0.183 0.000 2.509 736 S HA 0.582 5.052 4.470 -0.000 0.000 0.297 736 S C -2.669 171.893 174.600 -0.063 0.000 1.118 736 S CA -0.985 57.165 58.200 -0.083 0.000 1.074 736 S CB 1.300 64.474 63.200 -0.045 0.000 1.038 736 S HN 0.565 nan 8.310 nan 0.000 0.498 737 P HA 0.105 nan 4.420 nan 0.000 0.268 737 P C -0.690 176.616 177.300 0.011 0.000 1.205 737 P CA -0.340 62.758 63.100 -0.004 0.000 0.771 737 P CB 0.291 32.000 31.700 0.015 0.000 0.858 738 V N 3.305 123.239 119.914 0.033 0.000 2.585 738 V HA -0.037 4.083 4.120 -0.000 0.000 0.296 738 V C 1.061 177.172 176.094 0.028 0.000 1.035 738 V CA 0.306 62.624 62.300 0.031 0.000 1.084 738 V CB -0.292 31.555 31.823 0.040 0.000 0.953 738 V HN 0.539 nan 8.190 nan 0.000 0.483 739 E N 3.722 123.933 120.200 0.019 0.000 2.217 739 E HA 0.162 4.512 4.350 -0.000 0.000 0.279 739 E C 0.439 177.051 176.600 0.019 0.000 1.068 739 E CA -0.190 56.223 56.400 0.021 0.000 0.882 739 E CB 0.624 30.335 29.700 0.018 0.000 1.039 739 E HN 0.590 nan 8.360 nan 0.000 0.418 740 L N 3.556 124.797 121.223 0.029 0.000 2.567 740 L HA 0.177 4.516 4.340 -0.000 0.000 0.225 740 L C 1.379 178.267 176.870 0.031 0.000 1.119 740 L CA 0.259 55.114 54.840 0.025 0.000 0.871 740 L CB -0.539 41.544 42.059 0.040 0.000 1.036 740 L HN 0.863 nan 8.230 nan 0.000 0.459 741 G N 1.131 109.951 108.800 0.034 0.000 2.596 741 G HA2 -0.423 3.536 3.960 -0.000 0.000 0.295 741 G HA3 -0.423 3.536 3.960 -0.000 0.000 0.295 741 G C 0.151 175.077 174.900 0.044 0.000 1.240 741 G CA 0.410 45.532 45.100 0.037 0.000 0.985 741 G HN 0.402 nan 8.290 nan 0.000 0.555 742 Q N 1.586 121.415 119.800 0.048 0.000 2.721 742 Q HA 0.455 4.795 4.340 -0.000 0.000 0.257 742 Q C -2.121 173.918 176.000 0.065 0.000 1.070 742 Q CA -1.587 54.248 55.803 0.053 0.000 0.910 742 Q CB 0.974 29.740 28.738 0.046 0.000 1.163 742 Q HN 0.608 nan 8.270 nan 0.000 0.501 743 P HA 0.044 nan 4.420 nan 0.000 0.272 743 P C -0.480 176.889 177.300 0.115 0.000 1.230 743 P CA -0.272 62.880 63.100 0.087 0.000 0.788 743 P CB 1.154 32.888 31.700 0.057 0.000 0.949 744 V N 2.149 122.168 119.914 0.176 0.000 2.530 744 V HA 0.142 4.262 4.120 -0.000 0.000 0.282 744 V C 0.529 176.782 176.094 0.265 0.000 1.048 744 V CA -0.258 62.170 62.300 0.214 0.000 0.997 744 V CB 1.269 33.257 31.823 0.276 0.000 0.987 744 V HN 0.264 nan 8.190 nan 0.000 0.477 745 V N 6.238 126.252 119.914 0.168 0.000 2.495 745 V HA 0.497 4.616 4.120 -0.000 0.000 0.298 745 V C -0.470 175.653 176.094 0.048 0.000 1.031 745 V CA -0.645 61.730 62.300 0.125 0.000 0.871 745 V CB 1.724 33.581 31.823 0.055 0.000 0.988 745 V HN 0.667 nan 8.190 nan 0.000 0.432 746 L N 6.453 127.694 121.223 0.030 0.000 2.325 746 L HA 0.737 5.076 4.340 -0.000 0.000 0.281 746 L C -0.685 176.075 176.870 -0.184 0.000 1.004 746 L CA -0.046 54.686 54.840 -0.179 0.000 0.823 746 L CB 1.812 43.666 42.059 -0.342 0.000 1.236 746 L HN 0.441 nan 8.230 nan 0.000 0.415 747 V N 4.029 123.824 119.914 -0.199 0.000 2.384 747 V HA 0.559 4.679 4.120 -0.000 0.000 0.287 747 V C -0.010 176.014 176.094 -0.118 0.000 1.020 747 V CA -0.386 61.819 62.300 -0.158 0.000 0.850 747 V CB 1.514 33.261 31.823 -0.128 0.000 0.987 747 V HN 0.839 nan 8.190 nan 0.000 0.436 748 T N 5.339 119.853 114.554 -0.068 0.000 2.792 748 T HA 0.447 4.797 4.350 -0.000 0.000 0.280 748 T C -0.407 174.320 174.700 0.045 0.000 0.990 748 T CA -0.578 61.538 62.100 0.027 0.000 0.960 748 T CB 1.168 70.092 68.868 0.093 0.000 0.939 748 T HN 0.666 nan 8.240 nan 0.000 0.439 749 K N 2.441 122.884 120.400 0.071 0.000 2.450 749 K HA 0.681 5.001 4.320 -0.000 0.000 0.257 749 K C -0.383 176.275 176.600 0.096 0.000 0.953 749 K CA -0.572 55.757 56.287 0.070 0.000 0.844 749 K CB 0.994 33.529 32.500 0.057 0.000 1.103 749 K HN 0.791 nan 8.250 nan 0.000 0.429 750 G N 2.249 111.103 108.800 0.090 0.000 2.680 750 G HA2 0.168 4.128 3.960 -0.000 0.000 0.290 750 G HA3 0.168 4.128 3.960 -0.000 0.000 0.290 750 G C -0.214 174.731 174.900 0.075 0.000 1.355 750 G CA -0.648 44.508 45.100 0.093 0.000 0.903 750 G HN 0.627 nan 8.290 nan 0.000 0.474 751 K N -0.502 119.938 120.400 0.067 0.000 2.097 751 K HA 0.134 4.454 4.320 -0.000 0.000 0.205 751 K C 1.826 178.461 176.600 0.059 0.000 1.050 751 K CA 1.321 57.644 56.287 0.059 0.000 0.938 751 K CB -0.195 32.336 32.500 0.053 0.000 0.718 751 K HN 0.402 nan 8.250 nan 0.000 0.442 752 L N -0.908 120.351 121.223 0.061 0.000 2.425 752 L HA 0.239 4.579 4.340 -0.000 0.000 0.215 752 L C 0.424 177.329 176.870 0.058 0.000 1.065 752 L CA -0.016 54.860 54.840 0.059 0.000 0.842 752 L CB 0.367 42.464 42.059 0.064 0.000 1.033 752 L HN 0.182 nan 8.230 nan 0.000 0.474 753 E N -0.210 120.029 120.200 0.065 0.000 2.321 753 E HA 0.385 4.735 4.350 -0.000 0.000 0.281 753 E C -1.502 175.142 176.600 0.073 0.000 0.910 753 E CA -0.206 56.233 56.400 0.065 0.000 0.770 753 E CB 2.165 31.902 29.700 0.063 0.000 1.225 753 E HN -0.127 nan 8.360 nan 0.000 0.417 754 S N 1.238 116.979 115.700 0.068 0.000 2.634 754 S HA 0.791 5.261 4.470 -0.000 0.000 0.296 754 S C -1.275 173.349 174.600 0.040 0.000 1.104 754 S CA -0.670 57.566 58.200 0.058 0.000 0.920 754 S CB 1.785 65.021 63.200 0.060 0.000 1.111 754 S HN 0.622 nan 8.310 nan 0.000 0.493 755 S N -0.206 115.494 115.700 -0.001 0.000 2.547 755 S HA 0.723 5.192 4.470 -0.000 0.000 0.270 755 S C -1.662 172.844 174.600 -0.155 0.000 1.150 755 S CA -0.760 57.412 58.200 -0.046 0.000 0.850 755 S CB 1.062 64.257 63.200 -0.007 0.000 1.118 755 S HN 0.446 nan 8.310 nan 0.000 0.461 756 V N 1.848 121.608 119.914 -0.258 0.000 2.444 756 V HA 0.721 4.840 4.120 -0.000 0.000 0.294 756 V C -0.438 175.525 176.094 -0.219 0.000 1.022 756 V CA -0.375 61.703 62.300 -0.368 0.000 0.850 756 V CB 1.511 32.794 31.823 -0.899 0.000 0.992 756 V HN 0.984 nan 8.190 nan 0.000 0.426 757 S N 3.207 118.839 115.700 -0.113 0.000 2.513 757 S HA 0.795 5.265 4.470 -0.000 0.000 0.299 757 S C -0.820 173.734 174.600 -0.076 0.000 1.087 757 S CA -0.610 57.539 58.200 -0.085 0.000 1.012 757 S CB 2.148 65.410 63.200 0.103 0.000 1.044 757 S HN 0.662 nan 8.310 nan 0.000 0.485 758 V N 2.019 121.763 119.914 -0.284 0.000 2.760 758 V HA 0.809 4.928 4.120 -0.000 0.000 0.309 758 V C -0.074 175.660 176.094 -0.600 0.000 1.077 758 V CA -0.441 61.702 62.300 -0.262 0.000 0.910 758 V CB 1.810 33.613 31.823 -0.035 0.000 1.008 758 V HN 0.983 nan 8.190 nan 0.000 0.424 759 G N 6.972 115.431 108.800 -0.568 0.000 2.663 759 G HA2 0.530 4.489 3.960 -0.000 0.000 0.320 759 G HA3 0.530 4.489 3.960 -0.000 0.000 0.320 759 G C -0.521 174.270 174.900 -0.182 0.000 0.937 759 G CA -0.329 44.491 45.100 -0.467 0.000 1.332 759 G HN 0.707 nan 8.290 nan 0.000 0.461 760 L N 2.601 123.679 121.223 -0.242 0.000 2.400 760 L HA 0.410 4.750 4.340 -0.000 0.000 0.264 760 L C -2.037 174.732 176.870 -0.168 0.000 1.061 760 L CA -2.375 52.352 54.840 -0.189 0.000 0.799 760 L CB 1.667 43.542 42.059 -0.307 0.000 1.240 760 L HN 0.193 nan 8.230 nan 0.000 0.461 761 P HA 0.079 nan 4.420 nan 0.000 0.267 761 P C 0.059 177.269 177.300 -0.150 0.000 1.209 761 P CA 0.396 63.434 63.100 -0.103 0.000 0.763 761 P CB 0.971 32.632 31.700 -0.065 0.000 0.816 762 S N -0.225 115.395 115.700 -0.133 0.000 2.929 762 S HA -0.115 4.355 4.470 -0.000 0.000 0.271 762 S C 0.210 174.702 174.600 -0.180 0.000 1.295 762 S CA 1.294 59.417 58.200 -0.128 0.000 1.277 762 S CB -1.500 61.644 63.200 -0.093 0.000 1.557 762 S HN 0.403 nan 8.310 nan 0.000 0.666 763 V N 1.287 121.037 119.914 -0.273 0.000 2.655 763 V HA 0.448 4.568 4.120 -0.000 0.000 0.301 763 V C -0.217 175.660 176.094 -0.362 0.000 1.082 763 V CA -0.812 61.284 62.300 -0.340 0.000 0.899 763 V CB 2.120 33.575 31.823 -0.613 0.000 1.014 763 V HN 0.095 nan 8.190 nan 0.000 0.429 764 V N 4.103 123.817 119.914 -0.334 0.000 2.368 764 V HA 0.313 4.433 4.120 -0.000 0.000 0.266 764 V C -0.143 175.756 176.094 -0.326 0.000 1.045 764 V CA -0.316 61.691 62.300 -0.489 0.000 0.899 764 V CB 0.661 32.082 31.823 -0.671 0.000 1.006 764 V HN 0.932 nan 8.190 nan 0.000 0.470 765 H N 4.468 123.295 119.070 -0.405 0.000 2.467 765 H HA 0.600 5.156 4.556 -0.000 0.000 0.326 765 H C -0.417 174.804 175.328 -0.178 0.000 1.094 765 H CA -0.182 55.731 56.048 -0.224 0.000 1.253 765 H CB 1.198 30.865 29.762 -0.159 0.000 1.439 765 H HN 0.688 nan 8.280 nan 0.000 0.479 766 Q N 3.773 123.276 119.800 -0.494 0.000 2.347 766 Q HA 0.396 4.735 4.340 -0.000 0.000 0.271 766 Q C -1.344 174.450 176.000 -0.344 0.000 1.064 766 Q CA -0.930 54.665 55.803 -0.347 0.000 0.800 766 Q CB 1.735 30.376 28.738 -0.161 0.000 1.304 766 Q HN 0.759 nan 8.270 nan 0.000 0.438 767 T N 4.586 119.021 114.554 -0.197 0.000 2.770 767 T HA 0.550 4.900 4.350 -0.000 0.000 0.283 767 T C -0.413 174.313 174.700 0.042 0.000 0.988 767 T CA -0.324 61.779 62.100 0.005 0.000 0.957 767 T CB 0.328 69.364 68.868 0.280 0.000 0.930 767 T HN 0.446 nan 8.240 nan 0.000 0.443 768 I N 3.530 124.140 120.570 0.066 0.000 2.474 768 I HA 0.512 4.681 4.170 -0.000 0.000 0.294 768 I C -0.282 175.889 176.117 0.089 0.000 1.005 768 I CA -0.821 60.517 61.300 0.062 0.000 1.113 768 I CB 1.846 39.873 38.000 0.045 0.000 1.289 768 I HN 0.385 nan 8.210 nan 0.000 0.436 769 M N 5.701 125.353 119.600 0.087 0.000 2.253 769 M HA 0.489 4.969 4.480 -0.000 0.000 0.314 769 M C 0.162 176.503 176.300 0.069 0.000 1.019 769 M CA -0.355 54.999 55.300 0.091 0.000 0.932 769 M CB 2.253 34.922 32.600 0.115 0.000 1.606 769 M HN 0.487 nan 8.290 nan 0.000 0.430 770 R N 1.083 121.617 120.500 0.058 0.000 2.535 770 R HA 0.353 4.693 4.340 -0.000 0.000 0.323 770 R C 0.796 177.123 176.300 0.045 0.000 0.979 770 R CA 0.268 56.396 56.100 0.047 0.000 1.120 770 R CB 1.126 31.447 30.300 0.034 0.000 1.306 770 R HN 1.143 nan 8.270 nan 0.000 0.540 771 G N -0.242 108.587 108.800 0.049 0.000 2.211 771 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.201 771 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.201 771 G C 0.262 175.183 174.900 0.034 0.000 0.997 771 G CA -0.361 44.764 45.100 0.042 0.000 0.652 771 G HN 0.524 nan 8.290 nan 0.000 0.500 772 G N -0.124 108.697 108.800 0.034 0.000 3.264 772 G HA2 0.794 4.754 3.960 -0.000 0.000 0.168 772 G HA3 0.794 4.754 3.960 -0.000 0.000 0.168 772 G C 0.447 175.366 174.900 0.032 0.000 1.145 772 G CA 0.457 45.572 45.100 0.026 0.000 0.855 772 G HN 1.543 nan 8.290 nan 0.000 0.629 773 A N 1.431 124.268 122.820 0.028 0.000 2.546 773 A HA 0.528 4.848 4.320 -0.000 0.000 0.243 773 A C -1.868 175.752 177.584 0.060 0.000 1.063 773 A CA -0.454 51.605 52.037 0.037 0.000 0.757 773 A CB -0.468 18.551 19.000 0.031 0.000 0.991 773 A HN 0.348 nan 8.150 nan 0.000 0.503 774 P HA 0.154 nan 4.420 nan 0.000 0.272 774 P C -0.399 176.970 177.300 0.116 0.000 1.230 774 P CA -0.158 63.007 63.100 0.108 0.000 0.788 774 P CB 0.573 32.361 31.700 0.146 0.000 0.949 775 E N 1.186 121.451 120.200 0.109 0.000 2.179 775 E HA 0.402 4.751 4.350 -0.000 0.000 0.275 775 E C -0.849 175.824 176.600 0.123 0.000 0.945 775 E CA -0.696 55.771 56.400 0.112 0.000 0.792 775 E CB 0.558 30.300 29.700 0.070 0.000 1.125 775 E HN 0.186 nan 8.360 nan 0.000 0.397 776 I N 4.065 124.739 120.570 0.174 0.000 2.404 776 I HA 0.409 4.579 4.170 -0.000 0.000 0.293 776 I C -0.076 176.158 176.117 0.195 0.000 0.992 776 I CA -0.630 60.751 61.300 0.135 0.000 1.149 776 I CB 1.260 39.340 38.000 0.134 0.000 1.315 776 I HN 0.569 nan 8.210 nan 0.000 0.446 777 R N 4.696 125.241 120.500 0.075 0.000 2.480 777 R HA 0.494 4.834 4.340 -0.000 0.000 0.306 777 R C -0.935 175.418 176.300 0.088 0.000 0.958 777 R CA -0.833 55.325 56.100 0.097 0.000 0.861 777 R CB 1.935 32.251 30.300 0.027 0.000 1.171 777 R HN 0.457 nan 8.270 nan 0.000 0.445 778 N N 2.726 121.542 118.700 0.193 0.000 2.443 778 N HA 0.186 4.925 4.740 -0.000 0.000 0.269 778 N C -1.194 174.336 175.510 0.033 0.000 0.985 778 N CA -0.706 52.435 53.050 0.152 0.000 0.921 778 N CB 1.863 40.545 38.487 0.324 0.000 1.195 778 N HN 0.326 nan 8.380 nan 0.000 0.492 779 L N 3.727 124.912 121.223 -0.064 0.000 2.282 779 L HA 0.350 4.690 4.340 -0.000 0.000 0.287 779 L C -0.984 175.820 176.870 -0.110 0.000 1.075 779 L CA -0.417 54.363 54.840 -0.100 0.000 0.839 779 L CB 0.379 42.367 42.059 -0.118 0.000 1.219 779 L HN 0.210 nan 8.230 nan 0.000 0.434 780 V N 4.589 124.440 119.914 -0.105 0.000 2.350 780 V HA 0.382 4.502 4.120 -0.000 0.000 0.276 780 V C -0.475 175.580 176.094 -0.065 0.000 1.028 780 V CA -0.515 61.740 62.300 -0.076 0.000 0.860 780 V CB 1.329 33.134 31.823 -0.030 0.000 0.990 780 V HN 0.677 nan 8.190 nan 0.000 0.453 781 D N 4.061 124.424 120.400 -0.062 0.000 2.375 781 D HA 0.261 4.900 4.640 -0.000 0.000 0.259 781 D C 0.497 176.775 176.300 -0.037 0.000 1.235 781 D CA -0.399 53.574 54.000 -0.044 0.000 0.924 781 D CB 1.370 42.140 40.800 -0.049 0.000 1.143 781 D HN 0.469 nan 8.370 nan 0.000 0.529 782 I N 2.350 122.913 120.570 -0.012 0.000 3.176 782 I HA 0.093 4.263 4.170 -0.000 0.000 0.275 782 I C 1.319 177.430 176.117 -0.010 0.000 1.298 782 I CA 1.077 62.375 61.300 -0.003 0.000 1.445 782 I CB -0.248 37.768 38.000 0.028 0.000 1.075 782 I HN 0.617 nan 8.210 nan 0.000 0.482 783 G N 0.895 109.685 108.800 -0.016 0.000 2.583 783 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.292 783 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.292 783 G C 0.520 175.414 174.900 -0.010 0.000 1.203 783 G CA 0.398 45.484 45.100 -0.023 0.000 0.987 783 G HN 0.702 nan 8.290 nan 0.000 0.554 784 S N -0.116 115.576 115.700 -0.014 0.000 2.573 784 S HA 0.548 5.018 4.470 -0.000 0.000 0.244 784 S C 0.750 175.352 174.600 0.002 0.000 0.984 784 S CA 0.013 58.211 58.200 -0.003 0.000 1.001 784 S CB 0.018 63.215 63.200 -0.005 0.000 0.788 784 S HN 0.696 nan 8.310 nan 0.000 0.456 785 L N 2.954 124.179 121.223 0.003 0.000 2.448 785 L HA 0.283 4.623 4.340 -0.000 0.000 0.278 785 L C -0.341 176.543 176.870 0.024 0.000 1.201 785 L CA -0.336 54.511 54.840 0.012 0.000 1.036 785 L CB -0.489 41.577 42.059 0.012 0.000 1.325 785 L HN 0.167 nan 8.230 nan 0.000 0.441 786 D N 2.776 123.190 120.400 0.023 0.000 2.382 786 D HA 0.016 4.656 4.640 -0.000 0.000 0.240 786 D C 0.651 176.974 176.300 0.037 0.000 1.146 786 D CA 0.214 54.231 54.000 0.029 0.000 0.897 786 D CB 0.383 41.198 40.800 0.024 0.000 1.197 786 D HN 0.301 nan 8.370 nan 0.000 0.432 787 N N 0.462 119.188 118.700 0.043 0.000 2.714 787 N HA -0.171 4.568 4.740 -0.000 0.000 0.253 787 N C -1.013 174.538 175.510 0.068 0.000 1.024 787 N CA 0.829 53.910 53.050 0.052 0.000 0.726 787 N CB -1.114 37.398 38.487 0.042 0.000 0.908 787 N HN 0.287 nan 8.380 nan 0.000 0.542 788 T N 0.462 115.060 114.554 0.074 0.000 2.916 788 T HA 0.407 4.757 4.350 -0.000 0.000 0.298 788 T C -0.343 174.422 174.700 0.107 0.000 1.031 788 T CA -0.721 61.434 62.100 0.092 0.000 0.993 788 T CB 2.263 71.171 68.868 0.067 0.000 1.045 788 T HN 0.030 nan 8.240 nan 0.000 0.454 789 E N 2.526 122.818 120.200 0.155 0.000 2.199 789 E HA 0.417 4.767 4.350 -0.000 0.000 0.265 789 E C -0.657 176.057 176.600 0.191 0.000 0.882 789 E CA -0.883 55.606 56.400 0.148 0.000 0.759 789 E CB 1.921 31.686 29.700 0.108 0.000 1.148 789 E HN 0.355 nan 8.360 nan 0.000 0.412 790 I N 3.058 123.724 120.570 0.161 0.000 2.331 790 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 790 I C 0.053 176.303 176.117 0.221 0.000 0.998 790 I CA -0.563 60.844 61.300 0.179 0.000 1.267 790 I CB 1.248 39.339 38.000 0.151 0.000 1.386 790 I HN 0.289 nan 8.210 nan 0.000 0.476 791 V N 8.293 128.338 119.914 0.219 0.000 2.628 791 V HA 0.496 4.616 4.120 -0.000 0.000 0.306 791 V C -0.303 175.826 176.094 0.060 0.000 1.045 791 V CA -0.798 61.617 62.300 0.190 0.000 0.905 791 V CB 2.270 34.263 31.823 0.284 0.000 0.997 791 V HN 0.774 nan 8.190 nan 0.000 0.436 792 M N 7.316 126.874 119.600 -0.070 0.000 2.129 792 M HA 0.554 5.034 4.480 -0.000 0.000 0.348 792 M C -0.516 175.626 176.300 -0.264 0.000 1.116 792 M CA -0.393 54.631 55.300 -0.460 0.000 1.022 792 M CB 0.523 32.815 32.600 -0.514 0.000 1.599 792 M HN 0.752 nan 8.290 nan 0.000 0.449 793 R N 4.718 125.053 120.500 -0.274 0.000 2.589 793 R HA 0.695 5.034 4.340 -0.000 0.000 0.293 793 R C -1.925 174.275 176.300 -0.167 0.000 0.963 793 R CA -0.630 55.375 56.100 -0.158 0.000 0.905 793 R CB 1.439 31.664 30.300 -0.126 0.000 1.144 793 R HN 0.810 nan 8.270 nan 0.000 0.459 794 L N 3.305 124.414 121.223 -0.189 0.000 2.313 794 L HA 0.415 4.755 4.340 -0.000 0.000 0.283 794 L C -0.507 176.247 176.870 -0.194 0.000 1.013 794 L CA -0.422 54.235 54.840 -0.304 0.000 0.816 794 L CB 1.932 43.764 42.059 -0.378 0.000 1.236 794 L HN 0.610 nan 8.230 nan 0.000 0.419 795 E N 2.130 122.229 120.200 -0.168 0.000 2.158 795 E HA 0.498 4.848 4.350 -0.000 0.000 0.271 795 E C -0.554 175.986 176.600 -0.100 0.000 0.911 795 E CA -0.473 55.878 56.400 -0.082 0.000 0.767 795 E CB 2.096 31.790 29.700 -0.009 0.000 1.120 795 E HN 0.614 nan 8.360 nan 0.000 0.405 796 T N -1.271 113.238 114.554 -0.074 0.000 2.831 796 T HA 0.312 4.662 4.350 -0.000 0.000 0.287 796 T C 0.255 174.976 174.700 0.036 0.000 1.070 796 T CA -0.680 61.361 62.100 -0.099 0.000 1.010 796 T CB 1.079 69.902 68.868 -0.076 0.000 1.264 796 T HN 0.580 nan 8.240 nan 0.000 0.532 797 H N -0.744 118.314 119.070 -0.019 0.000 2.529 797 H HA 0.395 4.950 4.556 -0.000 0.000 0.277 797 H C 0.226 175.553 175.328 -0.003 0.000 1.004 797 H CA -0.521 55.521 56.048 -0.010 0.000 1.167 797 H CB 0.099 29.856 29.762 -0.010 0.000 1.445 797 H HN 0.333 nan 8.280 nan 0.000 0.554 798 I N 1.945 122.585 120.570 0.116 0.000 2.668 798 I HA -0.140 4.029 4.170 -0.000 0.000 0.285 798 I C 0.553 176.713 176.117 0.071 0.000 1.168 798 I CA 0.333 61.679 61.300 0.076 0.000 1.424 798 I CB 0.395 38.429 38.000 0.057 0.000 1.377 798 I HN 0.161 nan 8.210 nan 0.000 0.560 799 D N 4.822 125.258 120.400 0.060 0.000 2.713 799 D HA 0.031 4.671 4.640 -0.000 0.000 0.229 799 D C 1.257 177.594 176.300 0.062 0.000 1.136 799 D CA -0.028 54.001 54.000 0.050 0.000 1.010 799 D CB 0.341 41.162 40.800 0.035 0.000 1.084 799 D HN 0.558 nan 8.370 nan 0.000 0.495 800 S N 0.222 115.966 115.700 0.073 0.000 2.496 800 S HA 0.225 4.695 4.470 -0.000 0.000 0.224 800 S C 1.609 176.259 174.600 0.083 0.000 0.996 800 S CA 0.351 58.608 58.200 0.095 0.000 0.927 800 S CB -0.154 63.115 63.200 0.115 0.000 0.774 800 S HN 0.526 nan 8.310 nan 0.000 0.524 801 G N 3.157 111.995 108.800 0.064 0.000 2.557 801 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.292 801 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.292 801 G C 0.160 175.100 174.900 0.067 0.000 1.162 801 G CA 0.587 45.720 45.100 0.056 0.000 0.964 801 G HN 0.768 nan 8.290 nan 0.000 0.541 802 D N 0.133 120.576 120.400 0.073 0.000 2.440 802 D HA 0.355 4.995 4.640 -0.000 0.000 0.216 802 D C 0.694 177.074 176.300 0.134 0.000 1.150 802 D CA -0.218 53.843 54.000 0.101 0.000 0.832 802 D CB 0.316 41.161 40.800 0.075 0.000 0.992 802 D HN 0.453 nan 8.370 nan 0.000 0.502 803 I N 1.494 122.125 120.570 0.102 0.000 2.437 803 I HA 0.497 4.667 4.170 -0.000 0.000 0.298 803 I C -0.229 175.967 176.117 0.131 0.000 0.984 803 I CA -1.085 60.219 61.300 0.006 0.000 1.214 803 I CB 0.652 38.624 38.000 -0.046 0.000 1.365 803 I HN -0.029 nan 8.210 nan 0.000 0.469 804 F N 4.424 124.191 119.950 -0.306 0.000 2.745 804 F HA 0.688 5.215 4.527 -0.000 0.000 0.316 804 F C -2.034 173.415 175.800 -0.585 0.000 1.155 804 F CA -1.419 56.425 58.000 -0.260 0.000 0.937 804 F CB 1.206 40.122 39.000 -0.139 0.000 1.361 804 F HN 0.188 nan 8.300 nan 0.000 0.472 805 Y N 0.043 120.123 120.300 -0.367 0.000 2.425 805 Y HA 0.674 5.223 4.550 -0.001 0.000 0.344 805 Y C 0.018 175.749 175.900 -0.280 0.000 0.969 805 Y CA -0.664 57.085 58.100 -0.585 0.000 1.052 805 Y CB 2.467 40.151 38.460 -1.292 0.000 1.215 805 Y HN 0.900 nan 8.280 nan 0.000 0.451 806 T N -1.307 113.182 114.554 -0.109 0.000 2.906 806 T HA 0.482 4.832 4.350 -0.000 0.000 0.295 806 T C -1.043 173.488 174.700 -0.282 0.000 1.075 806 T CA -1.065 60.990 62.100 -0.075 0.000 1.005 806 T CB 2.020 70.817 68.868 -0.119 0.000 1.136 806 T HN 0.585 nan 8.240 nan 0.000 0.498 807 D N 1.087 121.167 120.400 -0.533 0.000 2.340 807 D HA 0.369 5.008 4.640 -0.000 0.000 0.251 807 D C -0.610 175.423 176.300 -0.444 0.000 1.080 807 D CA -0.814 52.674 54.000 -0.854 0.000 0.971 807 D CB 1.242 41.280 40.800 -1.271 0.000 1.137 807 D HN 0.557 nan 8.370 nan 0.000 0.475 808 L N 0.847 121.851 121.223 -0.366 0.000 2.316 808 L HA 0.220 4.560 4.340 -0.000 0.000 0.280 808 L C -0.130 176.614 176.870 -0.210 0.000 1.006 808 L CA -0.777 53.938 54.840 -0.209 0.000 0.836 808 L CB 0.478 42.480 42.059 -0.095 0.000 1.221 808 L HN 0.457 nan 8.230 nan 0.000 0.418 809 N N 2.110 120.695 118.700 -0.192 0.000 2.714 809 N HA -0.231 4.509 4.740 -0.000 0.000 0.250 809 N C 0.983 176.280 175.510 -0.355 0.000 1.117 809 N CA 0.906 53.841 53.050 -0.192 0.000 0.719 809 N CB -1.058 37.392 38.487 -0.061 0.000 1.081 809 N HN 1.080 nan 8.380 nan 0.000 0.557 810 G N -1.626 106.968 108.800 -0.344 0.000 2.155 810 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 810 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 810 G C 0.619 175.486 174.900 -0.055 0.000 0.983 810 G CA 0.686 45.611 45.100 -0.292 0.000 0.676 810 G HN 0.486 nan 8.290 nan 0.000 0.528 811 L N -0.363 120.765 121.223 -0.158 0.000 2.467 811 L HA 0.498 4.837 4.340 -0.000 0.000 0.213 811 L C 0.982 177.726 176.870 -0.210 0.000 1.053 811 L CA 1.905 56.563 54.840 -0.303 0.000 0.847 811 L CB 0.156 41.877 42.059 -0.565 0.000 1.075 811 L HN 0.701 nan 8.230 nan 0.000 0.479 812 Q N -1.766 117.917 119.800 -0.195 0.000 2.482 812 Q HA 0.350 4.690 4.340 -0.000 0.000 0.286 812 Q C -1.702 174.181 176.000 -0.196 0.000 1.007 812 Q CA -0.750 55.005 55.803 -0.080 0.000 0.801 812 Q CB 1.136 29.884 28.738 0.016 0.000 1.455 812 Q HN -0.041 nan 8.270 nan 0.000 0.398 813 F N 1.279 121.188 119.950 -0.067 0.000 2.436 813 F HA 0.603 5.129 4.527 -0.001 0.000 0.340 813 F C -0.150 175.617 175.800 -0.055 0.000 1.113 813 F CA -0.838 57.134 58.000 -0.046 0.000 1.022 813 F CB 1.691 40.708 39.000 0.030 0.000 1.128 813 F HN 0.529 nan 8.300 nan 0.000 0.466 814 I N 3.672 124.252 120.570 0.017 0.000 2.474 814 I HA 0.332 4.502 4.170 -0.000 0.000 0.294 814 I C -0.476 175.509 176.117 -0.220 0.000 1.005 814 I CA -0.894 60.364 61.300 -0.069 0.000 1.113 814 I CB 1.296 39.208 38.000 -0.147 0.000 1.289 814 I HN 0.506 nan 8.210 nan 0.000 0.436 815 K N 6.698 126.928 120.400 -0.285 0.000 2.412 815 K HA 0.233 4.552 4.320 -0.000 0.000 0.281 815 K C -0.826 175.332 176.600 -0.737 0.000 1.027 815 K CA -0.326 55.516 56.287 -0.742 0.000 0.989 815 K CB 0.491 32.696 32.500 -0.492 0.000 0.935 815 K HN 0.494 nan 8.250 nan 0.000 0.475 816 R N 3.289 123.169 120.500 -1.032 0.000 2.664 816 R HA 0.349 4.689 4.340 -0.000 0.000 0.286 816 R C -0.467 175.345 176.300 -0.813 0.000 0.967 816 R CA -0.774 54.651 56.100 -1.125 0.000 0.933 816 R CB 1.510 30.595 30.300 -2.025 0.000 1.146 816 R HN 0.659 nan 8.270 nan 0.000 0.468 817 R N 1.479 121.708 120.500 -0.451 0.000 2.476 817 R HA 0.282 4.621 4.340 -0.000 0.000 0.305 817 R C -0.525 175.809 176.300 0.056 0.000 0.965 817 R CA -0.673 55.335 56.100 -0.152 0.000 0.867 817 R CB 1.479 31.729 30.300 -0.083 0.000 1.176 817 R HN 0.549 nan 8.270 nan 0.000 0.447 818 R N 5.629 126.266 120.500 0.229 0.000 2.421 818 R HA 0.130 4.469 4.340 -0.000 0.000 0.305 818 R C -1.008 175.375 176.300 0.139 0.000 1.039 818 R CA 0.066 56.336 56.100 0.283 0.000 1.003 818 R CB 0.323 30.800 30.300 0.294 0.000 0.959 818 R HN 0.545 nan 8.270 nan 0.000 0.427 819 L N 5.367 126.652 121.223 0.103 0.000 2.294 819 L HA 0.208 4.547 4.340 -0.000 0.000 0.283 819 L C 0.295 177.161 176.870 -0.007 0.000 1.015 819 L CA -0.675 54.183 54.840 0.030 0.000 0.831 819 L CB 1.827 43.877 42.059 -0.016 0.000 1.217 819 L HN 0.664 nan 8.230 nan 0.000 0.420 820 D N 1.693 122.095 120.400 0.004 0.000 2.348 820 D HA -0.123 4.517 4.640 -0.000 0.000 0.216 820 D C 1.749 178.033 176.300 -0.026 0.000 0.970 820 D CA 0.825 54.821 54.000 -0.006 0.000 0.889 820 D CB 0.339 41.145 40.800 0.010 0.000 0.912 820 D HN 0.550 nan 8.370 nan 0.000 0.524 821 K N 0.142 120.519 120.400 -0.038 0.000 2.439 821 K HA 0.002 4.322 4.320 -0.000 0.000 0.197 821 K C 0.691 177.233 176.600 -0.097 0.000 1.041 821 K CA 0.370 56.631 56.287 -0.043 0.000 0.970 821 K CB 0.321 32.811 32.500 -0.017 0.000 0.773 821 K HN 0.111 nan 8.250 nan 0.000 0.479 822 L N 2.294 123.421 121.223 -0.159 0.000 2.334 822 L HA 0.450 4.790 4.340 -0.000 0.000 0.272 822 L C -2.215 174.550 176.870 -0.175 0.000 1.020 822 L CA -2.887 51.816 54.840 -0.229 0.000 0.812 822 L CB 1.395 43.222 42.059 -0.387 0.000 1.264 822 L HN -0.036 nan 8.230 nan 0.000 0.439 823 P HA 0.044 nan 4.420 nan 0.000 0.274 823 P C 0.831 178.002 177.300 -0.214 0.000 1.256 823 P CA -0.425 62.577 63.100 -0.163 0.000 0.795 823 P CB 1.202 32.828 31.700 -0.123 0.000 1.038 824 L N 0.780 121.906 121.223 -0.162 0.000 1.997 824 L HA -0.280 4.060 4.340 -0.000 0.000 0.216 824 L C 2.497 179.276 176.870 -0.152 0.000 1.074 824 L CA 1.955 56.724 54.840 -0.119 0.000 0.763 824 L CB -0.671 41.316 42.059 -0.121 0.000 0.890 824 L HN 0.427 nan 8.230 nan 0.000 0.434 825 Q N -0.294 119.304 119.800 -0.336 0.000 2.291 825 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 825 Q C 1.865 177.756 176.000 -0.182 0.000 0.976 825 Q CA 1.480 57.119 55.803 -0.274 0.000 0.875 825 Q CB -0.526 27.971 28.738 -0.401 0.000 0.927 825 Q HN 0.612 nan 8.270 nan 0.000 0.450 826 A N 1.466 123.965 122.820 -0.536 0.000 2.119 826 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 826 A C 1.620 179.024 177.584 -0.299 0.000 1.153 826 A CA 0.768 52.352 52.037 -0.755 0.000 0.692 826 A CB -0.189 17.990 19.000 -1.367 0.000 0.799 826 A HN 0.344 nan 8.150 nan 0.000 0.458 827 N N -1.204 117.436 118.700 -0.100 0.000 2.336 827 N HA 0.064 4.804 4.740 -0.000 0.000 0.189 827 N C -0.876 174.735 175.510 0.167 0.000 1.113 827 N CA 0.182 53.290 53.050 0.097 0.000 0.858 827 N CB 0.073 38.664 38.487 0.174 0.000 0.970 827 N HN 0.461 nan 8.380 nan 0.000 0.471 828 Y N 0.229 120.491 120.300 -0.064 0.000 2.304 828 Y HA 0.209 4.759 4.550 -0.001 0.000 0.328 828 Y C -0.187 175.665 175.900 -0.079 0.000 1.123 828 Y CA -0.128 58.016 58.100 0.073 0.000 1.218 828 Y CB 0.428 39.002 38.460 0.191 0.000 1.207 828 Y HN -0.065 nan 8.280 nan 0.000 0.495 829 Y N 3.263 123.706 120.300 0.238 0.000 2.605 829 Y HA 0.460 5.010 4.550 -0.001 0.000 0.343 829 Y C -2.288 173.308 175.900 -0.506 0.000 1.036 829 Y CA -2.924 55.157 58.100 -0.032 0.000 1.065 829 Y CB 1.425 39.867 38.460 -0.030 0.000 1.288 829 Y HN 0.445 nan 8.280 nan 0.000 0.481 830 P HA 0.128 nan 4.420 nan 0.000 0.271 830 P C -0.676 176.383 177.300 -0.402 0.000 1.216 830 P CA 0.236 62.756 63.100 -0.967 0.000 0.776 830 P CB 0.547 31.584 31.700 -1.106 0.000 0.881 831 I N 4.915 125.333 120.570 -0.254 0.000 2.620 831 I HA 0.174 4.344 4.170 -0.000 0.000 0.280 831 I C -1.764 174.285 176.117 -0.115 0.000 1.143 831 I CA -2.468 58.755 61.300 -0.128 0.000 1.163 831 I CB 0.815 38.796 38.000 -0.033 0.000 1.461 831 I HN 0.194 nan 8.210 nan 0.000 0.530 832 P HA -0.038 nan 4.420 nan 0.000 0.222 832 P C 1.063 178.333 177.300 -0.050 0.000 1.153 832 P CA 1.134 64.163 63.100 -0.118 0.000 0.798 832 P CB 0.608 32.210 31.700 -0.164 0.000 0.796 833 S N -3.427 112.247 115.700 -0.044 0.000 2.483 833 S HA 0.462 4.932 4.470 -0.000 0.000 0.280 833 S C 0.561 175.248 174.600 0.145 0.000 1.059 833 S CA 0.352 58.582 58.200 0.049 0.000 1.359 833 S CB 0.274 63.524 63.200 0.084 0.000 1.171 833 S HN 0.312 nan 8.310 nan 0.000 0.625 834 G N 1.508 110.399 108.800 0.152 0.000 2.466 834 G HA2 0.562 4.522 3.960 -0.000 0.000 0.291 834 G HA3 0.562 4.522 3.960 -0.000 0.000 0.291 834 G C -1.478 173.667 174.900 0.410 0.000 1.460 834 G CA -0.429 44.881 45.100 0.350 0.000 0.791 834 G HN 0.883 nan 8.290 nan 0.000 0.505 835 M N -0.751 119.106 119.600 0.429 0.000 2.578 835 M HA 0.897 5.376 4.480 -0.000 0.000 0.276 835 M C -1.698 174.836 176.300 0.391 0.000 1.245 835 M CA -1.023 54.493 55.300 0.360 0.000 0.871 835 M CB 2.547 35.268 32.600 0.202 0.000 1.722 835 M HN 1.181 nan 8.290 nan 0.000 0.473 836 F N 0.664 120.758 119.950 0.241 0.000 2.668 836 F HA 0.898 5.424 4.527 -0.001 0.000 0.309 836 F C -1.726 174.209 175.800 0.226 0.000 1.117 836 F CA -1.202 56.879 58.000 0.134 0.000 0.951 836 F CB 1.064 40.058 39.000 -0.011 0.000 1.323 836 F HN 0.789 nan 8.300 nan 0.000 0.451 837 I N -0.231 120.567 120.570 0.380 0.000 2.892 837 I HA 0.902 5.072 4.170 -0.000 0.000 0.306 837 I C -1.366 174.941 176.117 0.316 0.000 1.078 837 I CA -0.917 60.579 61.300 0.326 0.000 1.032 837 I CB 2.424 40.530 38.000 0.176 0.000 1.229 837 I HN 0.957 nan 8.210 nan 0.000 0.435 838 E N 1.772 122.139 120.200 0.278 0.000 2.407 838 E HA 0.517 4.867 4.350 -0.000 0.000 0.279 838 E C -2.076 174.609 176.600 0.142 0.000 1.012 838 E CA -0.828 55.679 56.400 0.179 0.000 0.800 838 E CB 2.228 32.027 29.700 0.166 0.000 1.276 838 E HN 0.745 nan 8.360 nan 0.000 0.452 839 D N 0.647 121.100 120.400 0.088 0.000 2.784 839 D HA 0.463 5.103 4.640 -0.000 0.000 0.256 839 D C 0.913 177.243 176.300 0.050 0.000 1.129 839 D CA -0.148 53.895 54.000 0.072 0.000 1.102 839 D CB 0.034 40.868 40.800 0.057 0.000 1.330 839 D HN 0.451 nan 8.370 nan 0.000 0.626 840 A N -0.689 122.153 122.820 0.037 0.000 1.972 840 A HA -0.160 4.159 4.320 -0.000 0.000 0.219 840 A C 1.564 179.153 177.584 0.008 0.000 1.169 840 A CA 1.564 53.615 52.037 0.023 0.000 0.635 840 A CB -0.719 18.292 19.000 0.019 0.000 0.810 840 A HN 0.515 nan 8.150 nan 0.000 0.446 841 N N -1.707 116.997 118.700 0.007 0.000 2.397 841 N HA 0.072 4.812 4.740 -0.000 0.000 0.190 841 N C -0.444 175.058 175.510 -0.014 0.000 1.099 841 N CA 0.738 53.784 53.050 -0.006 0.000 0.876 841 N CB 0.637 39.122 38.487 -0.003 0.000 1.143 841 N HN 0.308 nan 8.380 nan 0.000 0.468 842 T N 0.568 115.119 114.554 -0.005 0.000 2.893 842 T HA 0.445 4.795 4.350 -0.000 0.000 0.293 842 T C -0.578 174.117 174.700 -0.008 0.000 1.027 842 T CA -0.650 61.443 62.100 -0.013 0.000 0.988 842 T CB 2.825 71.692 68.868 -0.001 0.000 1.043 842 T HN -0.041 nan 8.240 nan 0.000 0.461 843 R N 2.043 122.521 120.500 -0.037 0.000 2.686 843 R HA 0.732 5.072 4.340 -0.000 0.000 0.286 843 R C -1.921 174.359 176.300 -0.034 0.000 0.969 843 R CA -0.911 55.168 56.100 -0.034 0.000 0.898 843 R CB 1.283 31.499 30.300 -0.141 0.000 1.183 843 R HN 0.454 nan 8.270 nan 0.000 0.456 844 L N 2.702 123.934 121.223 0.015 0.000 2.349 844 L HA 0.492 4.832 4.340 -0.000 0.000 0.278 844 L C -1.301 175.608 176.870 0.065 0.000 0.996 844 L CA 0.089 54.931 54.840 0.004 0.000 0.825 844 L CB 2.214 44.263 42.059 -0.016 0.000 1.243 844 L HN 0.642 nan 8.230 nan 0.000 0.412 845 T N 5.639 120.211 114.554 0.030 0.000 2.807 845 T HA 0.559 4.909 4.350 -0.000 0.000 0.279 845 T C -1.019 173.744 174.700 0.104 0.000 0.993 845 T CA -0.287 61.870 62.100 0.096 0.000 0.970 845 T CB 1.427 70.281 68.868 -0.023 0.000 0.950 845 T HN 0.446 nan 8.240 nan 0.000 0.441 846 L N 5.067 126.387 121.223 0.161 0.000 2.298 846 L HA 0.524 4.863 4.340 -0.000 0.000 0.284 846 L C -1.255 175.756 176.870 0.235 0.000 1.013 846 L CA -0.706 54.240 54.840 0.176 0.000 0.824 846 L CB 0.516 42.659 42.059 0.139 0.000 1.221 846 L HN 0.412 nan 8.230 nan 0.000 0.418 847 L N 4.150 125.512 121.223 0.233 0.000 2.343 847 L HA 0.625 4.964 4.340 -0.000 0.000 0.275 847 L C 0.261 177.272 176.870 0.235 0.000 1.056 847 L CA -0.202 54.772 54.840 0.224 0.000 0.804 847 L CB 1.424 43.582 42.059 0.164 0.000 1.203 847 L HN 0.604 nan 8.230 nan 0.000 0.440 848 T N 0.484 115.129 114.554 0.152 0.000 2.887 848 T HA 0.483 4.833 4.350 -0.000 0.000 0.288 848 T C 0.842 175.499 174.700 -0.072 0.000 1.021 848 T CA -0.368 61.740 62.100 0.014 0.000 1.000 848 T CB 1.931 70.835 68.868 0.059 0.000 1.034 848 T HN 0.774 nan 8.240 nan 0.000 0.467 849 G N 1.488 110.169 108.800 -0.198 0.000 3.284 849 G HA2 0.342 4.302 3.960 -0.000 0.000 0.236 849 G HA3 0.342 4.302 3.960 -0.000 0.000 0.236 849 G C 0.135 174.963 174.900 -0.119 0.000 1.158 849 G CA -0.271 44.744 45.100 -0.141 0.000 0.774 849 G HN 0.609 nan 8.290 nan 0.000 0.545 850 Q N -0.241 119.486 119.800 -0.122 0.000 2.479 850 Q HA 0.295 4.634 4.340 -0.000 0.000 0.276 850 Q C -3.546 172.416 176.000 -0.064 0.000 0.989 850 Q CA -2.267 53.492 55.803 -0.073 0.000 0.864 850 Q CB 1.891 30.602 28.738 -0.045 0.000 1.444 850 Q HN -0.005 nan 8.270 nan 0.000 0.388 851 P HA 0.458 nan 4.420 nan 0.000 0.281 851 P C -0.690 176.599 177.300 -0.018 0.000 1.252 851 P CA -0.153 62.931 63.100 -0.026 0.000 0.778 851 P CB 1.006 32.698 31.700 -0.012 0.000 0.895 852 L N 1.618 122.825 121.223 -0.026 0.000 2.491 852 L HA 0.665 5.004 4.340 -0.000 0.000 0.254 852 L C 0.754 177.644 176.870 0.034 0.000 1.048 852 L CA -1.124 53.724 54.840 0.013 0.000 0.855 852 L CB 2.121 44.172 42.059 -0.012 0.000 1.466 852 L HN 0.345 nan 8.230 nan 0.000 0.409 853 G N -0.938 107.938 108.800 0.127 0.000 2.448 853 G HA2 0.680 4.640 3.960 -0.000 0.000 0.285 853 G HA3 0.680 4.640 3.960 -0.000 0.000 0.285 853 G C -0.500 174.430 174.900 0.050 0.000 1.176 853 G CA 0.106 45.334 45.100 0.214 0.000 0.852 853 G HN 0.874 nan 8.290 nan 0.000 0.530 854 G N -1.506 107.133 108.800 -0.268 0.000 2.550 854 G HA2 0.663 4.623 3.960 -0.000 0.000 0.293 854 G HA3 0.663 4.623 3.960 -0.000 0.000 0.293 854 G C -1.186 173.255 174.900 -0.765 0.000 1.402 854 G CA 0.442 45.187 45.100 -0.591 0.000 0.784 854 G HN 1.250 nan 8.290 nan 0.000 0.482 855 S N -1.847 113.461 115.700 -0.654 0.000 2.703 855 S HA 0.740 5.210 4.470 -0.000 0.000 0.273 855 S C -1.507 172.628 174.600 -0.776 0.000 1.178 855 S CA 0.292 58.109 58.200 -0.639 0.000 0.838 855 S CB 1.355 64.256 63.200 -0.499 0.000 1.178 855 S HN 1.507 nan 8.310 nan 0.000 0.494 856 S N 1.591 116.542 115.700 -1.249 0.000 2.653 856 S HA 0.487 4.957 4.470 -0.000 0.000 0.272 856 S C 0.109 174.456 174.600 -0.421 0.000 1.221 856 S CA -0.626 57.115 58.200 -0.765 0.000 1.149 856 S CB -0.059 62.640 63.200 -0.834 0.000 1.029 856 S HN 0.571 nan 8.310 nan 0.000 0.481 857 L N 3.162 124.277 121.223 -0.180 0.000 2.591 857 L HA 0.499 4.839 4.340 -0.000 0.000 0.228 857 L C 0.836 177.696 176.870 -0.016 0.000 1.133 857 L CA 0.201 55.015 54.840 -0.043 0.000 0.880 857 L CB 0.008 42.099 42.059 0.054 0.000 1.033 857 L HN 0.685 nan 8.230 nan 0.000 0.450 858 A N -1.227 121.570 122.820 -0.037 0.000 2.612 858 A HA 0.459 4.779 4.320 -0.000 0.000 0.293 858 A C -0.430 177.149 177.584 -0.007 0.000 1.075 858 A CA -0.444 51.590 52.037 -0.006 0.000 0.680 858 A CB 1.207 20.210 19.000 0.005 0.000 1.279 858 A HN -0.144 nan 8.150 nan 0.000 0.411 859 S N -0.111 115.598 115.700 0.016 0.000 2.593 859 S HA 0.384 4.854 4.470 -0.000 0.000 0.300 859 S C 1.537 176.153 174.600 0.026 0.000 1.267 859 S CA 1.974 60.191 58.200 0.028 0.000 1.065 859 S CB -0.147 63.074 63.200 0.034 0.000 0.807 859 S HN 2.652 nan 8.310 nan 0.000 0.499 860 G N 3.434 112.253 108.800 0.031 0.000 2.179 860 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.260 860 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.260 860 G C -0.148 174.746 174.900 -0.010 0.000 0.977 860 G CA 0.500 45.617 45.100 0.029 0.000 0.641 860 G HN 0.716 nan 8.290 nan 0.000 0.533 861 E N -0.538 119.640 120.200 -0.036 0.000 2.212 861 E HA 0.759 5.108 4.350 -0.000 0.000 0.270 861 E C -0.160 176.373 176.600 -0.111 0.000 0.956 861 E CA -0.737 55.619 56.400 -0.074 0.000 0.825 861 E CB 1.730 31.387 29.700 -0.073 0.000 1.167 861 E HN 0.241 nan 8.360 nan 0.000 0.400 862 L N 1.749 122.900 121.223 -0.120 0.000 2.370 862 L HA 0.476 4.816 4.340 -0.000 0.000 0.266 862 L C -0.568 176.224 176.870 -0.130 0.000 1.002 862 L CA -0.629 54.129 54.840 -0.136 0.000 0.818 862 L CB 1.968 43.977 42.059 -0.083 0.000 1.325 862 L HN 0.653 nan 8.230 nan 0.000 0.418 863 E N 2.807 122.921 120.200 -0.142 0.000 2.366 863 E HA 0.696 5.046 4.350 -0.000 0.000 0.278 863 E C -1.546 175.000 176.600 -0.090 0.000 0.923 863 E CA -0.833 55.515 56.400 -0.086 0.000 0.761 863 E CB 3.321 33.018 29.700 -0.005 0.000 1.231 863 E HN 0.526 nan 8.360 nan 0.000 0.443 864 I N 2.259 122.816 120.570 -0.023 0.000 2.571 864 I HA 0.324 4.493 4.170 -0.000 0.000 0.289 864 I C -1.359 174.821 176.117 0.104 0.000 1.115 864 I CA -1.113 60.198 61.300 0.018 0.000 1.045 864 I CB 1.942 39.956 38.000 0.023 0.000 1.238 864 I HN 0.775 nan 8.210 nan 0.000 0.424 865 M N 6.265 125.964 119.600 0.166 0.000 2.238 865 M HA 0.224 4.704 4.480 -0.000 0.000 0.347 865 M C 0.563 176.960 176.300 0.162 0.000 1.173 865 M CA 0.631 56.035 55.300 0.174 0.000 1.147 865 M CB 0.928 33.604 32.600 0.127 0.000 1.547 865 M HN 0.576 nan 8.290 nan 0.000 0.455 866 Q N 1.376 121.305 119.800 0.215 0.000 2.304 866 Q HA 0.261 4.600 4.340 -0.000 0.000 0.204 866 Q C -0.273 175.930 176.000 0.339 0.000 0.936 866 Q CA 0.785 56.782 55.803 0.323 0.000 0.878 866 Q CB 0.411 29.369 28.738 0.367 0.000 0.983 866 Q HN 0.767 nan 8.270 nan 0.000 0.516 867 D N -0.869 119.662 120.400 0.217 0.000 2.671 867 D HA 0.293 4.933 4.640 -0.000 0.000 0.273 867 D C -1.435 174.933 176.300 0.113 0.000 1.264 867 D CA -0.490 53.616 54.000 0.176 0.000 0.788 867 D CB 1.456 42.352 40.800 0.160 0.000 1.324 867 D HN 0.034 nan 8.370 nan 0.000 0.424 868 R N 0.827 121.383 120.500 0.094 0.000 2.584 868 R HA 0.678 5.018 4.340 -0.000 0.000 0.276 868 R C -1.113 175.229 176.300 0.069 0.000 1.046 868 R CA -1.043 55.095 56.100 0.064 0.000 0.906 868 R CB 2.070 32.380 30.300 0.017 0.000 1.215 868 R HN 0.329 nan 8.270 nan 0.000 0.449 869 R N 3.755 124.293 120.500 0.064 0.000 2.451 869 R HA 0.487 4.827 4.340 -0.000 0.000 0.307 869 R C -1.502 174.830 176.300 0.053 0.000 0.965 869 R CA -0.579 55.556 56.100 0.057 0.000 0.865 869 R CB 1.300 31.630 30.300 0.050 0.000 1.174 869 R HN 0.717 nan 8.270 nan 0.000 0.455 870 L N 3.922 125.175 121.223 0.050 0.000 2.406 870 L HA 0.513 4.853 4.340 -0.000 0.000 0.272 870 L C 0.669 177.562 176.870 0.039 0.000 0.980 870 L CA -0.560 54.308 54.840 0.046 0.000 0.831 870 L CB 2.167 44.255 42.059 0.048 0.000 1.253 870 L HN 0.804 nan 8.230 nan 0.000 0.406 871 A N 1.590 124.430 122.820 0.034 0.000 2.067 871 A HA 0.163 4.483 4.320 -0.000 0.000 0.217 871 A C 0.922 178.522 177.584 0.026 0.000 1.156 871 A CA 0.685 52.739 52.037 0.028 0.000 0.683 871 A CB 0.009 19.023 19.000 0.024 0.000 0.808 871 A HN 0.619 nan 8.150 nan 0.000 0.455 872 S N -0.256 115.460 115.700 0.026 0.000 2.638 872 S HA 0.427 4.897 4.470 -0.000 0.000 0.298 872 S C -0.658 173.960 174.600 0.029 0.000 1.111 872 S CA -0.696 57.517 58.200 0.022 0.000 1.027 872 S CB 1.459 64.668 63.200 0.015 0.000 1.064 872 S HN 0.457 nan 8.310 nan 0.000 0.525 873 D N 0.405 120.822 120.400 0.028 0.000 2.372 873 D HA 0.205 4.845 4.640 -0.000 0.000 0.243 873 D C -0.213 176.103 176.300 0.026 0.000 1.121 873 D CA -0.280 53.744 54.000 0.040 0.000 0.898 873 D CB 0.609 41.432 40.800 0.038 0.000 1.202 873 D HN 0.516 nan 8.370 nan 0.000 0.428 874 D N 2.046 122.467 120.400 0.034 0.000 2.559 874 D HA 0.076 4.715 4.640 -0.000 0.000 0.234 874 D C -0.380 175.880 176.300 -0.067 0.000 1.226 874 D CA -0.289 53.700 54.000 -0.019 0.000 0.830 874 D CB -0.267 40.512 40.800 -0.034 0.000 1.028 874 D HN 0.617 nan 8.370 nan 0.000 0.492 875 E N -0.128 120.056 120.200 -0.027 0.000 2.868 875 E HA -0.204 4.146 4.350 -0.000 0.000 0.278 875 E C 0.231 176.793 176.600 -0.065 0.000 1.009 875 E CA 0.247 56.628 56.400 -0.031 0.000 0.856 875 E CB -0.939 28.740 29.700 -0.035 0.000 1.428 875 E HN 0.289 nan 8.360 nan 0.000 0.423 876 R N -0.389 120.041 120.500 -0.117 0.000 2.509 876 R HA 0.227 4.566 4.340 -0.000 0.000 0.300 876 R C 1.431 177.798 176.300 0.111 0.000 0.985 876 R CA 0.649 56.621 56.100 -0.213 0.000 1.092 876 R CB 0.968 30.706 30.300 -0.937 0.000 1.237 876 R HN 0.400 nan 8.270 nan 0.000 0.546 877 G N 0.827 109.766 108.800 0.231 0.000 2.195 877 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.224 877 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.224 877 G C 0.718 175.743 174.900 0.210 0.000 0.990 877 G CA 0.216 45.528 45.100 0.352 0.000 0.639 877 G HN 0.297 nan 8.290 nan 0.000 0.514 878 L N 1.401 122.822 121.223 0.330 0.000 2.141 878 L HA 0.450 4.790 4.340 -0.000 0.000 0.209 878 L C 2.201 179.054 176.870 -0.028 0.000 1.094 878 L CA 2.694 57.607 54.840 0.121 0.000 0.763 878 L CB -0.591 41.707 42.059 0.398 0.000 0.908 878 L HN 1.680 nan 8.230 nan 0.000 0.437 879 G N -0.369 108.449 108.800 0.031 0.000 2.160 879 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.251 879 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.251 879 G C 0.079 174.982 174.900 0.005 0.000 1.008 879 G CA 0.660 45.760 45.100 -0.000 0.000 0.724 879 G HN 0.792 nan 8.290 nan 0.000 0.514 880 Q N -1.888 117.931 119.800 0.031 0.000 2.575 880 Q HA 0.688 5.028 4.340 -0.000 0.000 0.290 880 Q C 0.444 176.473 176.000 0.048 0.000 0.963 880 Q CA -0.612 55.210 55.803 0.031 0.000 0.783 880 Q CB 0.587 29.340 28.738 0.025 0.000 1.467 880 Q HN 0.892 nan 8.270 nan 0.000 0.402 881 G N 0.107 108.932 108.800 0.041 0.000 2.504 881 G HA2 0.475 4.435 3.960 -0.000 0.000 0.257 881 G HA3 0.475 4.435 3.960 -0.000 0.000 0.257 881 G C -0.872 174.058 174.900 0.050 0.000 1.451 881 G CA -0.599 44.528 45.100 0.046 0.000 1.059 881 G HN 0.413 nan 8.290 nan 0.000 0.550 882 V N 0.876 120.821 119.914 0.051 0.000 2.289 882 V HA 0.340 4.459 4.120 -0.000 0.000 0.272 882 V C 0.108 176.237 176.094 0.057 0.000 1.026 882 V CA -0.132 62.204 62.300 0.061 0.000 0.807 882 V CB 0.834 32.697 31.823 0.066 0.000 1.044 882 V HN 0.531 nan 8.190 nan 0.000 0.443 883 L N 3.186 124.441 121.223 0.053 0.000 3.229 883 L HA 0.324 4.664 4.340 -0.000 0.000 0.286 883 L C 0.614 177.510 176.870 0.044 0.000 1.239 883 L CA 0.048 54.914 54.840 0.044 0.000 1.035 883 L CB 0.716 42.796 42.059 0.034 0.000 1.408 883 L HN 0.666 nan 8.230 nan 0.000 0.593 884 D N -2.225 118.210 120.400 0.058 0.000 2.559 884 D HA 0.057 4.697 4.640 -0.000 0.000 0.234 884 D C 0.148 176.489 176.300 0.068 0.000 1.226 884 D CA -0.457 53.579 54.000 0.059 0.000 0.830 884 D CB -0.363 40.479 40.800 0.071 0.000 1.028 884 D HN 0.069 nan 8.370 nan 0.000 0.492 885 N N 1.659 120.397 118.700 0.063 0.000 2.374 885 N HA 0.112 4.851 4.740 -0.000 0.000 0.241 885 N C 0.175 175.695 175.510 0.018 0.000 1.262 885 N CA 0.359 53.447 53.050 0.063 0.000 0.880 885 N CB 0.643 39.163 38.487 0.056 0.000 1.105 885 N HN 0.311 nan 8.380 nan 0.000 0.438 886 K N -0.498 119.900 120.400 -0.003 0.000 2.512 886 K HA 0.559 4.879 4.320 -0.000 0.000 0.263 886 K C -3.241 173.332 176.600 -0.044 0.000 0.966 886 K CA -2.022 54.220 56.287 -0.075 0.000 0.851 886 K CB 1.287 33.658 32.500 -0.216 0.000 1.395 886 K HN 0.126 nan 8.250 nan 0.000 0.440 887 P HA -0.013 nan 4.420 nan 0.000 0.265 887 P C -1.057 176.262 177.300 0.031 0.000 1.193 887 P CA -0.428 62.653 63.100 -0.032 0.000 0.765 887 P CB 0.760 32.431 31.700 -0.050 0.000 0.823 888 V N 5.123 125.019 119.914 -0.030 0.000 2.841 888 V HA 0.473 4.593 4.120 -0.000 0.000 0.310 888 V C -1.330 174.631 176.094 -0.221 0.000 1.090 888 V CA -1.091 61.165 62.300 -0.074 0.000 0.930 888 V CB 2.103 33.861 31.823 -0.109 0.000 1.014 888 V HN 0.276 nan 8.190 nan 0.000 0.425 889 L N 6.997 128.116 121.223 -0.173 0.000 2.272 889 L HA 0.588 4.928 4.340 -0.000 0.000 0.284 889 L C -0.333 176.513 176.870 -0.041 0.000 1.045 889 L CA 0.136 54.910 54.840 -0.109 0.000 0.842 889 L CB 0.267 42.283 42.059 -0.072 0.000 1.224 889 L HN 0.701 nan 8.230 nan 0.000 0.430 890 H N 5.601 124.683 119.070 0.021 0.000 2.582 890 H HA 0.477 5.033 4.556 -0.000 0.000 0.345 890 H C -0.079 175.146 175.328 -0.171 0.000 1.104 890 H CA -0.155 55.849 56.048 -0.074 0.000 1.390 890 H CB 1.211 30.997 29.762 0.040 0.000 1.461 890 H HN 0.693 nan 8.280 nan 0.000 0.551 891 I N 0.146 120.544 120.570 -0.287 0.000 2.689 891 I HA 0.602 4.772 4.170 -0.000 0.000 0.299 891 I C -1.435 174.321 176.117 -0.602 0.000 1.059 891 I CA -0.963 60.180 61.300 -0.261 0.000 1.055 891 I CB 2.164 40.102 38.000 -0.102 0.000 1.243 891 I HN 0.238 nan 8.210 nan 0.000 0.425 892 Y N 2.497 122.838 120.300 0.067 0.000 2.625 892 Y HA 0.689 5.238 4.550 -0.001 0.000 0.338 892 Y C -0.597 175.348 175.900 0.075 0.000 1.123 892 Y CA -1.075 57.071 58.100 0.077 0.000 1.046 892 Y CB 1.622 40.147 38.460 0.108 0.000 1.299 892 Y HN 0.419 nan 8.280 nan 0.000 0.464 893 R N 1.412 122.063 120.500 0.252 0.000 2.740 893 R HA 0.630 4.970 4.340 -0.000 0.000 0.282 893 R C -1.861 174.549 176.300 0.183 0.000 0.969 893 R CA -1.172 55.035 56.100 0.178 0.000 0.918 893 R CB 2.553 32.916 30.300 0.105 0.000 1.175 893 R HN 0.649 nan 8.270 nan 0.000 0.464 894 L N 2.100 123.411 121.223 0.148 0.000 2.343 894 L HA 0.453 4.792 4.340 -0.000 0.000 0.278 894 L C -1.236 175.665 176.870 0.051 0.000 0.996 894 L CA -0.583 54.322 54.840 0.108 0.000 0.831 894 L CB 1.908 44.048 42.059 0.134 0.000 1.232 894 L HN 0.312 nan 8.230 nan 0.000 0.413 895 V N 6.178 126.106 119.914 0.022 0.000 2.376 895 V HA 0.408 4.528 4.120 -0.000 0.000 0.287 895 V C -0.395 175.676 176.094 -0.038 0.000 1.015 895 V CA -0.592 61.702 62.300 -0.011 0.000 0.834 895 V CB 1.436 33.244 31.823 -0.024 0.000 1.001 895 V HN 0.645 nan 8.190 nan 0.000 0.428 896 L N 5.317 126.514 121.223 -0.043 0.000 2.289 896 L HA 0.695 5.035 4.340 -0.000 0.000 0.285 896 L C -0.136 176.697 176.870 -0.060 0.000 1.049 896 L CA 0.717 55.524 54.840 -0.055 0.000 0.804 896 L CB 1.038 43.062 42.059 -0.058 0.000 1.195 896 L HN 0.741 nan 8.230 nan 0.000 0.428 897 E N 3.468 123.625 120.200 -0.071 0.000 2.390 897 E HA 0.405 4.755 4.350 -0.000 0.000 0.277 897 E C -1.281 175.277 176.600 -0.071 0.000 0.939 897 E CA -1.187 55.168 56.400 -0.076 0.000 0.769 897 E CB 1.490 31.128 29.700 -0.104 0.000 1.251 897 E HN 0.259 nan 8.360 nan 0.000 0.450 898 K N 1.501 121.863 120.400 -0.064 0.000 2.297 898 K HA 0.165 4.484 4.320 -0.000 0.000 0.286 898 K C 0.424 176.983 176.600 -0.068 0.000 1.053 898 K CA -0.076 56.177 56.287 -0.056 0.000 0.940 898 K CB 1.030 33.502 32.500 -0.047 0.000 1.019 898 K HN 0.470 nan 8.250 nan 0.000 0.475 899 V N -0.385 119.490 119.914 -0.065 0.000 3.346 899 V HA 0.030 4.150 4.120 -0.000 0.000 0.309 899 V C 1.126 177.187 176.094 -0.056 0.000 1.457 899 V CA -0.297 61.957 62.300 -0.078 0.000 1.069 899 V CB -0.265 31.496 31.823 -0.103 0.000 0.944 899 V HN 0.597 nan 8.190 nan 0.000 0.449 900 N N 1.246 119.922 118.700 -0.040 0.000 2.453 900 N HA -0.134 4.605 4.740 -0.000 0.000 0.183 900 N C 0.966 176.456 175.510 -0.033 0.000 1.041 900 N CA 1.300 54.332 53.050 -0.029 0.000 0.900 900 N CB -0.480 37.994 38.487 -0.021 0.000 0.961 900 N HN 0.533 nan 8.380 nan 0.000 0.443 901 N N 0.149 118.825 118.700 -0.040 0.000 2.336 901 N HA 0.067 4.806 4.740 -0.000 0.000 0.189 901 N C -0.290 175.190 175.510 -0.050 0.000 1.113 901 N CA -0.094 52.932 53.050 -0.041 0.000 0.858 901 N CB 0.098 38.561 38.487 -0.040 0.000 0.970 901 N HN 0.206 nan 8.380 nan 0.000 0.471 902 c N 1.294 119.859 118.600 -0.060 0.000 2.601 902 c HA 0.250 4.819 4.570 -0.000 0.000 0.409 902 c C 1.073 175.126 174.090 -0.063 0.000 1.293 902 c CA -0.914 55.371 56.329 -0.073 0.000 2.101 902 c CB 0.760 43.212 42.510 -0.096 0.000 2.639 902 c HN 0.019 nan 8.230 nan 0.000 0.592 903 V N 5.775 125.648 119.914 -0.069 0.000 2.370 903 V HA 0.195 4.315 4.120 -0.000 0.000 0.257 903 V C 0.660 176.715 176.094 -0.065 0.000 1.064 903 V CA 0.403 62.666 62.300 -0.061 0.000 0.975 903 V CB -0.671 31.112 31.823 -0.067 0.000 1.067 903 V HN 0.792 nan 8.190 nan 0.000 0.485 904 R N 4.657 125.131 120.500 -0.043 0.000 2.758 904 R HA 0.542 4.882 4.340 -0.000 0.000 0.265 904 R C -2.421 173.870 176.300 -0.015 0.000 1.016 904 R CA -1.853 54.229 56.100 -0.030 0.000 1.040 904 R CB 1.009 31.296 30.300 -0.021 0.000 1.152 904 R HN 0.396 nan 8.270 nan 0.000 0.503 905 P HA -0.045 nan 4.420 nan 0.000 0.270 905 P C -0.366 176.971 177.300 0.062 0.000 1.223 905 P CA -0.202 62.882 63.100 -0.025 0.000 0.785 905 P CB 0.565 32.175 31.700 -0.150 0.000 0.923 906 S N 1.024 116.789 115.700 0.107 0.000 2.580 906 S HA 0.045 4.515 4.470 -0.000 0.000 0.266 906 S C 1.122 175.803 174.600 0.135 0.000 1.354 906 S CA -0.090 58.177 58.200 0.111 0.000 1.008 906 S CB 0.239 63.509 63.200 0.117 0.000 0.898 906 S HN 0.316 nan 8.310 nan 0.000 0.555 907 K N 0.701 121.163 120.400 0.103 0.000 2.281 907 K HA 0.001 4.321 4.320 -0.000 0.000 0.203 907 K C 1.500 178.158 176.600 0.096 0.000 1.046 907 K CA 1.274 57.619 56.287 0.096 0.000 0.938 907 K CB -0.486 32.054 32.500 0.066 0.000 0.737 907 K HN 0.573 nan 8.250 nan 0.000 0.458 908 L N -0.105 121.177 121.223 0.099 0.000 2.567 908 L HA 0.023 4.362 4.340 -0.000 0.000 0.225 908 L C 1.064 177.988 176.870 0.090 0.000 1.119 908 L CA -0.187 54.695 54.840 0.071 0.000 0.871 908 L CB -0.172 41.915 42.059 0.046 0.000 1.036 908 L HN 0.238 nan 8.230 nan 0.000 0.459 909 H N 2.369 121.478 119.070 0.065 0.000 2.803 909 H HA 0.077 4.633 4.556 -0.000 0.000 0.330 909 H C -1.708 173.662 175.328 0.071 0.000 1.057 909 H CA -1.363 54.736 56.048 0.085 0.000 1.458 909 H CB 1.753 31.593 29.762 0.129 0.000 1.470 909 H HN -0.076 nan 8.280 nan 0.000 0.560 910 P HA 0.129 nan 4.420 nan 0.000 0.245 910 P C -0.430 176.976 177.300 0.177 0.000 1.212 910 P CA 0.196 63.329 63.100 0.056 0.000 0.774 910 P CB 0.475 32.137 31.700 -0.063 0.000 0.999 911 A N -0.300 122.795 122.820 0.457 0.000 2.311 911 A HA 0.741 5.061 4.320 -0.000 0.000 0.334 911 A C 0.322 177.974 177.584 0.114 0.000 1.139 911 A CA -0.322 51.855 52.037 0.233 0.000 0.830 911 A CB 1.044 20.169 19.000 0.208 0.000 1.234 911 A HN 0.165 nan 8.150 nan 0.000 0.483 912 G N -1.234 107.519 108.800 -0.078 0.000 2.630 912 G HA2 0.642 4.602 3.960 -0.000 0.000 0.296 912 G HA3 0.642 4.602 3.960 -0.000 0.000 0.296 912 G C -1.779 172.754 174.900 -0.612 0.000 1.285 912 G CA -0.435 44.502 45.100 -0.272 0.000 0.958 912 G HN 0.531 nan 8.290 nan 0.000 0.479 913 Y N -0.961 119.298 120.300 -0.067 0.000 2.524 913 Y HA 0.472 5.021 4.550 -0.001 0.000 0.347 913 Y C 0.333 175.987 175.900 -0.409 0.000 1.005 913 Y CA -0.847 57.148 58.100 -0.175 0.000 1.025 913 Y CB 1.985 40.333 38.460 -0.187 0.000 1.275 913 Y HN 0.341 nan 8.280 nan 0.000 0.460 914 L N 2.227 123.279 121.223 -0.285 0.000 2.464 914 L HA 0.328 4.668 4.340 -0.000 0.000 0.264 914 L C 0.777 177.491 176.870 -0.259 0.000 1.199 914 L CA -0.519 54.078 54.840 -0.405 0.000 0.818 914 L CB 0.702 42.606 42.059 -0.258 0.000 1.102 914 L HN 0.797 nan 8.230 nan 0.000 0.473 915 T N -1.869 112.518 114.554 -0.278 0.000 2.828 915 T HA 0.102 4.451 4.350 -0.000 0.000 0.290 915 T C 1.187 175.832 174.700 -0.093 0.000 1.019 915 T CA -0.573 61.418 62.100 -0.181 0.000 1.031 915 T CB 1.228 69.986 68.868 -0.183 0.000 1.001 915 T HN 0.572 nan 8.240 nan 0.000 0.531 916 S N 1.047 116.705 115.700 -0.070 0.000 2.365 916 S HA -0.126 4.343 4.470 -0.000 0.000 0.225 916 S C 2.478 177.085 174.600 0.011 0.000 1.039 916 S CA 1.262 59.455 58.200 -0.012 0.000 1.033 916 S CB -1.034 62.143 63.200 -0.039 0.000 0.887 916 S HN 0.907 nan 8.310 nan 0.000 0.447 917 A N 1.263 124.066 122.820 -0.028 0.000 1.930 917 A HA 0.187 4.506 4.320 -0.000 0.000 0.217 917 A C 2.319 179.894 177.584 -0.015 0.000 1.175 917 A CA 1.599 53.622 52.037 -0.023 0.000 0.627 917 A CB -0.917 18.060 19.000 -0.039 0.000 0.815 917 A HN 0.518 nan 8.150 nan 0.000 0.443 918 A N -1.323 121.476 122.820 -0.035 0.000 1.897 918 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 918 A C 2.104 179.714 177.584 0.043 0.000 1.181 918 A CA 1.547 53.568 52.037 -0.027 0.000 0.620 918 A CB -0.928 18.003 19.000 -0.115 0.000 0.821 918 A HN 0.767 nan 8.150 nan 0.000 0.443 919 H N 0.064 119.116 119.070 -0.029 0.000 2.321 919 H HA -0.075 4.481 4.556 -0.000 0.000 0.300 919 H C 1.844 177.203 175.328 0.053 0.000 1.087 919 H CA 1.867 57.935 56.048 0.033 0.000 1.319 919 H CB -0.031 29.743 29.762 0.021 0.000 1.379 919 H HN 0.432 nan 8.280 nan 0.000 0.501 920 K N 0.161 120.515 120.400 -0.076 0.000 2.097 920 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 920 K C 2.379 178.935 176.600 -0.073 0.000 1.049 920 K CA 0.846 57.068 56.287 -0.110 0.000 0.933 920 K CB -0.032 32.453 32.500 -0.025 0.000 0.717 920 K HN 0.273 nan 8.250 nan 0.000 0.442 921 A N 0.813 123.614 122.820 -0.030 0.000 1.930 921 A HA -0.173 4.146 4.320 -0.000 0.000 0.217 921 A C 2.200 179.781 177.584 -0.007 0.000 1.175 921 A CA 1.952 53.986 52.037 -0.005 0.000 0.627 921 A CB -0.607 18.405 19.000 0.021 0.000 0.815 921 A HN 0.272 nan 8.150 nan 0.000 0.443 922 S N -0.638 115.061 115.700 -0.001 0.000 2.368 922 S HA -0.239 4.231 4.470 -0.000 0.000 0.225 922 S C 2.143 176.720 174.600 -0.038 0.000 1.030 922 S CA 1.735 59.948 58.200 0.022 0.000 0.999 922 S CB -0.407 62.854 63.200 0.101 0.000 0.844 922 S HN 0.677 nan 8.310 nan 0.000 0.459 923 Q N 0.286 120.015 119.800 -0.118 0.000 2.124 923 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 923 Q C 2.385 178.327 176.000 -0.096 0.000 0.977 923 Q CA 1.649 57.384 55.803 -0.114 0.000 0.850 923 Q CB -0.241 28.410 28.738 -0.145 0.000 0.901 923 Q HN 0.507 nan 8.270 nan 0.000 0.429 924 S N 0.686 116.341 115.700 -0.076 0.000 2.423 924 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 924 S C 1.862 176.399 174.600 -0.105 0.000 1.014 924 S CA 0.715 58.867 58.200 -0.079 0.000 0.965 924 S CB -0.008 63.166 63.200 -0.044 0.000 0.785 924 S HN 0.274 nan 8.310 nan 0.000 0.495 925 L N 0.395 121.566 121.223 -0.087 0.000 2.095 925 L HA 0.086 4.425 4.340 -0.000 0.000 0.204 925 L C 2.033 178.808 176.870 -0.159 0.000 1.080 925 L CA 0.935 55.714 54.840 -0.102 0.000 0.759 925 L CB -0.350 41.672 42.059 -0.061 0.000 0.914 925 L HN 0.269 nan 8.230 nan 0.000 0.439 926 L N -1.286 119.848 121.223 -0.149 0.000 2.249 926 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 926 L C 0.185 176.874 176.870 -0.301 0.000 1.090 926 L CA 0.728 55.454 54.840 -0.190 0.000 0.802 926 L CB 0.120 42.105 42.059 -0.124 0.000 0.947 926 L HN 0.200 nan 8.230 nan 0.000 0.453 927 D N 0.455 120.675 120.400 -0.301 0.000 2.613 927 D HA 0.230 4.870 4.640 -0.000 0.000 0.312 927 D C -2.351 173.702 176.300 -0.410 0.000 1.202 927 D CA -1.006 52.745 54.000 -0.415 0.000 0.825 927 D CB 1.324 42.086 40.800 -0.064 0.000 1.113 927 D HN 0.051 nan 8.370 nan 0.000 0.502 928 P HA 0.105 nan 4.420 nan 0.000 0.273 928 P C 0.609 177.774 177.300 -0.224 0.000 1.250 928 P CA -0.482 62.432 63.100 -0.309 0.000 0.793 928 P CB 1.506 33.029 31.700 -0.295 0.000 1.011 929 L N 0.899 122.059 121.223 -0.105 0.000 2.514 929 L HA 0.057 4.397 4.340 -0.000 0.000 0.280 929 L C 0.917 177.807 176.870 0.033 0.000 1.223 929 L CA 0.503 55.337 54.840 -0.011 0.000 0.864 929 L CB -0.351 41.713 42.059 0.010 0.000 1.118 929 L HN 0.282 nan 8.230 nan 0.000 0.494 930 D N 3.350 123.861 120.400 0.186 0.000 2.210 930 D HA 0.327 4.967 4.640 -0.000 0.000 0.249 930 D C -0.328 176.037 176.300 0.107 0.000 1.062 930 D CA -0.308 53.795 54.000 0.171 0.000 0.891 930 D CB 1.652 42.650 40.800 0.330 0.000 1.186 930 D HN 0.373 nan 8.370 nan 0.000 0.432 931 K N 1.380 121.725 120.400 -0.092 0.000 2.345 931 K HA 0.471 4.790 4.320 -0.000 0.000 0.255 931 K C -1.021 175.537 176.600 -0.070 0.000 0.934 931 K CA -0.643 55.687 56.287 0.072 0.000 0.801 931 K CB 1.553 34.039 32.500 -0.023 0.000 1.137 931 K HN 0.229 nan 8.250 nan 0.000 0.424 932 F N 2.634 122.790 119.950 0.344 0.000 2.529 932 F HA 0.491 5.018 4.527 -0.000 0.000 0.320 932 F C -0.013 176.072 175.800 0.475 0.000 1.118 932 F CA -0.882 57.305 58.000 0.311 0.000 0.915 932 F CB 1.290 40.306 39.000 0.026 0.000 1.161 932 F HN 0.201 nan 8.300 nan 0.000 0.445 933 I N 3.539 124.488 120.570 0.631 0.000 2.362 933 I HA 0.224 4.394 4.170 -0.000 0.000 0.289 933 I C -0.549 175.860 176.117 0.488 0.000 0.994 933 I CA -0.822 60.779 61.300 0.501 0.000 1.158 933 I CB 1.228 39.421 38.000 0.320 0.000 1.315 933 I HN 0.438 nan 8.210 nan 0.000 0.451 934 F N 5.678 125.804 119.950 0.292 0.000 2.538 934 F HA 0.230 4.757 4.527 -0.000 0.000 0.371 934 F C 1.154 176.878 175.800 -0.127 0.000 1.087 934 F CA 0.086 57.971 58.000 -0.191 0.000 1.250 934 F CB 1.242 40.168 39.000 -0.123 0.000 1.110 934 F HN 0.587 nan 8.300 nan 0.000 0.570 935 A N 4.318 126.578 122.820 -0.935 0.000 2.030 935 A HA 0.102 4.422 4.320 -0.000 0.000 0.215 935 A C 0.836 178.142 177.584 -0.463 0.000 1.164 935 A CA 0.333 52.040 52.037 -0.550 0.000 0.697 935 A CB -0.417 18.236 19.000 -0.578 0.000 0.827 935 A HN 0.790 nan 8.150 nan 0.000 0.457 936 E N -0.474 119.312 120.200 -0.691 0.000 2.330 936 E HA 0.196 4.546 4.350 -0.000 0.000 0.256 936 E C 0.137 176.833 176.600 0.160 0.000 1.146 936 E CA -0.718 55.578 56.400 -0.174 0.000 0.945 936 E CB 0.307 29.961 29.700 -0.077 0.000 1.182 936 E HN 0.174 nan 8.360 nan 0.000 0.480 937 N N 0.503 119.318 118.700 0.191 0.000 2.300 937 N HA -0.069 4.671 4.740 -0.000 0.000 0.179 937 N C -0.352 175.319 175.510 0.269 0.000 1.016 937 N CA 0.900 54.075 53.050 0.208 0.000 0.876 937 N CB 0.264 38.831 38.487 0.132 0.000 0.979 937 N HN 0.433 nan 8.380 nan 0.000 0.432 938 E N -0.681 119.706 120.200 0.312 0.000 2.275 938 E HA 0.111 4.461 4.350 -0.000 0.000 0.270 938 E C -1.552 175.173 176.600 0.209 0.000 0.882 938 E CA -0.700 55.812 56.400 0.187 0.000 0.758 938 E CB 1.287 31.055 29.700 0.113 0.000 1.195 938 E HN -0.005 nan 8.360 nan 0.000 0.419 939 W N 7.831 128.848 121.300 -0.471 0.000 2.288 939 W HA 0.412 5.071 4.660 -0.000 0.000 0.325 939 W C -1.346 174.993 176.519 -0.301 0.000 1.019 939 W CA -1.358 55.565 57.345 -0.703 0.000 1.403 939 W CB -0.094 28.380 29.460 -1.643 0.000 1.226 939 W HN 0.447 nan 8.180 nan 0.000 0.391 940 I N 6.221 126.903 120.570 0.186 0.000 2.441 940 I HA 0.296 4.466 4.170 -0.000 0.000 0.287 940 I C 1.460 177.564 176.117 -0.022 0.000 1.049 940 I CA 0.938 62.261 61.300 0.039 0.000 1.381 940 I CB 0.731 38.785 38.000 0.089 0.000 1.409 940 I HN 0.786 nan 8.210 nan 0.000 0.523 941 G N 4.224 112.928 108.800 -0.161 0.000 2.157 941 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.248 941 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.248 941 G C 0.416 175.076 174.900 -0.400 0.000 0.979 941 G CA -0.094 44.895 45.100 -0.185 0.000 0.650 941 G HN 0.985 nan 8.290 nan 0.000 0.529 942 A N -0.265 122.060 122.820 -0.824 0.000 2.531 942 A HA 0.571 4.891 4.320 -0.000 0.000 0.236 942 A C 0.551 177.725 177.584 -0.684 0.000 1.062 942 A CA 0.839 52.037 52.037 -1.398 0.000 0.760 942 A CB 0.239 18.066 19.000 -1.955 0.000 0.995 942 A HN 0.622 nan 8.150 nan 0.000 0.501 943 Q N 0.600 120.079 119.800 -0.535 0.000 2.351 943 Q HA 0.524 4.864 4.340 -0.000 0.000 0.273 943 Q C 1.069 176.962 176.000 -0.179 0.000 1.077 943 Q CA -0.214 55.435 55.803 -0.256 0.000 0.843 943 Q CB 1.960 30.616 28.738 -0.138 0.000 1.367 943 Q HN 0.802 nan 8.270 nan 0.000 0.449 944 G N 0.102 108.832 108.800 -0.117 0.000 2.603 944 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.214 944 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.214 944 G C 0.185 175.064 174.900 -0.036 0.000 1.140 944 G CA 0.542 45.587 45.100 -0.091 0.000 0.800 944 G HN 0.433 nan 8.290 nan 0.000 0.533 945 Q N -1.366 118.429 119.800 -0.007 0.000 2.472 945 Q HA 0.518 4.858 4.340 -0.000 0.000 0.281 945 Q C -2.369 173.661 176.000 0.050 0.000 0.997 945 Q CA -0.922 54.893 55.803 0.021 0.000 0.828 945 Q CB 2.231 30.966 28.738 -0.004 0.000 1.443 945 Q HN 0.049 nan 8.270 nan 0.000 0.390 946 F N 1.170 121.032 119.950 -0.146 0.000 2.556 946 F HA 0.639 5.166 4.527 -0.000 0.000 0.314 946 F C 0.498 176.046 175.800 -0.421 0.000 1.106 946 F CA 0.466 58.313 58.000 -0.256 0.000 0.911 946 F CB 2.049 40.907 39.000 -0.237 0.000 1.190 946 F HN 0.679 nan 8.300 nan 0.000 0.448 947 G N 3.096 110.927 108.800 -1.614 0.000 2.141 947 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.231 947 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.231 947 G C 1.020 175.249 174.900 -1.117 0.000 0.984 947 G CA 0.236 44.093 45.100 -2.072 0.000 0.660 947 G HN 1.555 nan 8.290 nan 0.000 0.525 948 G N 1.104 109.548 108.800 -0.595 0.000 2.470 948 G HA2 0.027 3.987 3.960 -0.000 0.000 0.220 948 G HA3 0.027 3.987 3.960 -0.000 0.000 0.220 948 G C 1.251 176.091 174.900 -0.100 0.000 1.121 948 G CA 1.726 46.700 45.100 -0.210 0.000 0.766 948 G HN 0.800 nan 8.290 nan 0.000 0.553 949 D N -0.641 119.625 120.400 -0.223 0.000 2.339 949 D HA 0.000 4.640 4.640 -0.000 0.000 0.217 949 D C 0.318 176.625 176.300 0.011 0.000 1.050 949 D CA -0.402 53.558 54.000 -0.067 0.000 0.856 949 D CB -0.827 39.939 40.800 -0.056 0.000 0.922 949 D HN 0.448 nan 8.370 nan 0.000 0.518 950 H N 1.288 120.251 119.070 -0.178 0.000 2.764 950 H HA 0.215 4.770 4.556 -0.000 0.000 0.341 950 H C -1.976 173.320 175.328 -0.054 0.000 1.072 950 H CA -1.730 54.237 56.048 -0.135 0.000 1.444 950 H CB 0.617 30.242 29.762 -0.228 0.000 1.458 950 H HN 0.000 nan 8.280 nan 0.000 0.572 951 P HA -0.060 nan 4.420 nan 0.000 0.268 951 P C -0.573 176.793 177.300 0.111 0.000 1.205 951 P CA 0.061 63.224 63.100 0.104 0.000 0.771 951 P CB 0.720 32.461 31.700 0.068 0.000 0.858 952 S N 2.073 117.875 115.700 0.169 0.000 2.415 952 S HA 0.576 5.046 4.470 -0.000 0.000 0.313 952 S C -0.017 174.692 174.600 0.181 0.000 1.067 952 S CA -0.569 57.762 58.200 0.217 0.000 1.099 952 S CB -0.726 62.723 63.200 0.415 0.000 0.991 952 S HN 0.493 nan 8.310 nan 0.000 0.491 953 A N 5.133 128.051 122.820 0.164 0.000 2.304 953 A HA 0.563 4.883 4.320 -0.000 0.000 0.271 953 A C 0.693 178.345 177.584 0.112 0.000 1.091 953 A CA -0.788 51.322 52.037 0.122 0.000 0.812 953 A CB 0.264 19.332 19.000 0.114 0.000 1.056 953 A HN 0.965 nan 8.150 nan 0.000 0.489 954 R N 0.527 121.062 120.500 0.058 0.000 2.950 954 R HA -0.094 4.246 4.340 -0.000 0.000 0.277 954 R C 0.567 176.875 176.300 0.015 0.000 0.984 954 R CA 0.880 56.987 56.100 0.010 0.000 1.163 954 R CB 0.015 30.309 30.300 -0.010 0.000 1.094 954 R HN 0.883 nan 8.270 nan 0.000 0.482 955 E N 0.282 120.452 120.200 -0.050 0.000 2.299 955 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 955 E C 0.394 177.024 176.600 0.051 0.000 0.998 955 E CA 0.923 57.279 56.400 -0.075 0.000 0.851 955 E CB -0.032 29.595 29.700 -0.122 0.000 0.795 955 E HN 0.777 nan 8.360 nan 0.000 0.492 956 D N 0.906 121.297 120.400 -0.016 0.000 2.349 956 D HA 0.001 4.641 4.640 -0.000 0.000 0.224 956 D C 0.360 176.652 176.300 -0.013 0.000 1.029 956 D CA -0.114 53.832 54.000 -0.089 0.000 0.879 956 D CB 0.020 40.712 40.800 -0.180 0.000 0.906 956 D HN 0.178 nan 8.370 nan 0.000 0.528 957 L N 0.637 121.903 121.223 0.073 0.000 2.317 957 L HA 0.537 4.877 4.340 -0.000 0.000 0.281 957 L C -1.186 175.807 176.870 0.205 0.000 1.024 957 L CA -0.497 54.403 54.840 0.100 0.000 0.810 957 L CB 1.798 43.904 42.059 0.078 0.000 1.240 957 L HN -0.235 nan 8.230 nan 0.000 0.427 958 D N 2.324 122.866 120.400 0.236 0.000 2.575 958 D HA 0.370 5.010 4.640 -0.000 0.000 0.236 958 D C -1.287 175.170 176.300 0.261 0.000 1.075 958 D CA -0.270 53.893 54.000 0.271 0.000 0.860 958 D CB 2.442 43.447 40.800 0.343 0.000 1.475 958 D HN 0.250 nan 8.370 nan 0.000 0.474 959 V N 3.405 123.453 119.914 0.222 0.000 2.267 959 V HA 0.120 4.240 4.120 -0.000 0.000 0.254 959 V C 1.304 177.533 176.094 0.226 0.000 1.144 959 V CA -0.000 62.443 62.300 0.238 0.000 0.992 959 V CB 0.350 32.302 31.823 0.215 0.000 1.199 959 V HN 0.571 nan 8.190 nan 0.000 0.493 960 S N 2.961 118.823 115.700 0.271 0.000 2.399 960 S HA -0.007 4.463 4.470 -0.000 0.000 0.231 960 S C 0.671 175.329 174.600 0.097 0.000 1.022 960 S CA 0.822 59.136 58.200 0.190 0.000 0.983 960 S CB 0.177 63.550 63.200 0.289 0.000 0.803 960 S HN 0.499 nan 8.310 nan 0.000 0.480 961 V N 1.587 121.599 119.914 0.163 0.000 2.686 961 V HA 0.523 4.643 4.120 -0.000 0.000 0.306 961 V C -0.751 175.421 176.094 0.130 0.000 1.065 961 V CA -0.563 61.810 62.300 0.122 0.000 0.894 961 V CB 1.881 33.802 31.823 0.164 0.000 1.004 961 V HN 0.368 nan 8.190 nan 0.000 0.424 962 M N 5.652 125.251 119.600 -0.002 0.000 2.197 962 M HA 0.699 5.178 4.480 -0.000 0.000 0.301 962 M C -1.056 175.085 176.300 -0.266 0.000 0.987 962 M CA -0.511 54.660 55.300 -0.216 0.000 0.921 962 M CB 1.545 34.024 32.600 -0.202 0.000 1.569 962 M HN 0.754 nan 8.290 nan 0.000 0.431 963 R N 4.172 124.443 120.500 -0.383 0.000 2.510 963 R HA 0.426 4.766 4.340 -0.000 0.000 0.287 963 R C -1.438 174.638 176.300 -0.375 0.000 1.084 963 R CA -0.686 55.241 56.100 -0.288 0.000 0.934 963 R CB 1.807 32.018 30.300 -0.148 0.000 1.201 963 R HN 0.916 nan 8.270 nan 0.000 0.431 964 R N 4.421 124.756 120.500 -0.274 0.000 2.442 964 R HA 0.135 4.475 4.340 -0.000 0.000 0.291 964 R C 0.189 176.378 176.300 -0.185 0.000 1.069 964 R CA 0.077 56.040 56.100 -0.228 0.000 1.022 964 R CB 0.624 30.847 30.300 -0.129 0.000 0.976 964 R HN 0.713 nan 8.270 nan 0.000 0.443 965 L N 2.937 124.043 121.223 -0.194 0.000 2.616 965 L HA 0.147 4.487 4.340 -0.000 0.000 0.229 965 L C 0.294 177.111 176.870 -0.089 0.000 1.110 965 L CA 0.037 54.782 54.840 -0.158 0.000 0.884 965 L CB 0.464 42.395 42.059 -0.213 0.000 1.115 965 L HN 0.713 nan 8.230 nan 0.000 0.481 966 T N -2.655 111.858 114.554 -0.068 0.000 2.887 966 T HA 0.451 4.800 4.350 -0.000 0.000 0.288 966 T C -0.228 174.463 174.700 -0.014 0.000 1.021 966 T CA -0.909 61.169 62.100 -0.037 0.000 1.000 966 T CB 2.437 71.289 68.868 -0.027 0.000 1.034 966 T HN -0.086 nan 8.240 nan 0.000 0.467 967 K N 0.899 121.297 120.400 -0.004 0.000 2.117 967 K HA 0.324 4.643 4.320 -0.000 0.000 0.240 967 K C 1.647 178.260 176.600 0.022 0.000 1.031 967 K CA -0.252 56.045 56.287 0.016 0.000 0.909 967 K CB 0.486 32.993 32.500 0.012 0.000 1.097 967 K HN 0.800 nan 8.250 nan 0.000 0.492 968 S N -0.672 115.050 115.700 0.036 0.000 2.447 968 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 968 S C 1.712 176.325 174.600 0.023 0.000 1.006 968 S CA 1.393 59.613 58.200 0.033 0.000 0.957 968 S CB -0.358 62.869 63.200 0.045 0.000 0.773 968 S HN 0.612 nan 8.310 nan 0.000 0.507 969 S N 1.566 117.278 115.700 0.019 0.000 2.522 969 S HA 0.426 4.896 4.470 -0.000 0.000 0.227 969 S C 0.847 175.452 174.600 0.009 0.000 0.986 969 S CA 0.081 58.289 58.200 0.015 0.000 0.929 969 S CB -0.592 62.616 63.200 0.014 0.000 0.769 969 S HN 0.764 nan 8.310 nan 0.000 0.529 970 A N 2.019 124.842 122.820 0.006 0.000 2.451 970 A HA 0.354 4.674 4.320 -0.000 0.000 0.266 970 A C 1.191 178.779 177.584 0.006 0.000 1.119 970 A CA -0.507 51.531 52.037 0.002 0.000 0.786 970 A CB 0.238 19.235 19.000 -0.004 0.000 1.061 970 A HN 0.367 nan 8.150 nan 0.000 0.503 971 K N 1.224 121.627 120.400 0.004 0.000 2.097 971 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 971 K C 0.081 176.688 176.600 0.011 0.000 1.049 971 K CA 1.379 57.671 56.287 0.008 0.000 0.933 971 K CB -0.068 32.434 32.500 0.003 0.000 0.717 971 K HN 0.685 nan 8.250 nan 0.000 0.442 972 T N 2.655 117.213 114.554 0.006 0.000 2.781 972 T HA 0.155 4.504 4.350 -0.000 0.000 0.305 972 T C -0.249 174.462 174.700 0.018 0.000 1.001 972 T CA -0.510 61.596 62.100 0.010 0.000 0.950 972 T CB 1.287 70.149 68.868 -0.010 0.000 0.955 972 T HN -0.011 nan 8.240 nan 0.000 0.471 973 Q N 2.682 122.512 119.800 0.051 0.000 2.354 973 Q HA 0.420 4.760 4.340 -0.000 0.000 0.244 973 Q C 0.085 176.134 176.000 0.081 0.000 0.969 973 Q CA -0.020 55.813 55.803 0.051 0.000 0.885 973 Q CB 1.347 30.116 28.738 0.052 0.000 1.241 973 Q HN 0.545 nan 8.270 nan 0.000 0.461 974 R N 0.234 120.748 120.500 0.024 0.000 2.575 974 R HA 0.627 4.967 4.340 -0.000 0.000 0.293 974 R C -1.106 175.143 176.300 -0.085 0.000 0.983 974 R CA -0.625 55.474 56.100 -0.002 0.000 0.887 974 R CB 1.842 32.106 30.300 -0.060 0.000 1.184 974 R HN 0.254 nan 8.270 nan 0.000 0.445 975 V N 1.540 121.402 119.914 -0.086 0.000 2.540 975 V HA 0.613 4.733 4.120 -0.000 0.000 0.302 975 V C 0.243 176.059 176.094 -0.463 0.000 1.035 975 V CA -0.833 61.278 62.300 -0.314 0.000 0.873 975 V CB 2.026 33.669 31.823 -0.300 0.000 0.992 975 V HN 0.941 nan 8.190 nan 0.000 0.428 976 G N 2.894 111.220 108.800 -0.789 0.000 2.371 976 G HA2 0.665 4.625 3.960 -0.000 0.000 0.326 976 G HA3 0.665 4.625 3.960 -0.000 0.000 0.326 976 G C -1.666 172.811 174.900 -0.706 0.000 1.127 976 G CA -0.294 44.198 45.100 -1.014 0.000 0.885 976 G HN 0.506 nan 8.290 nan 0.000 0.477 977 Y N 0.275 120.674 120.300 0.165 0.000 2.442 977 Y HA 0.467 5.017 4.550 -0.000 0.000 0.344 977 Y C -0.158 176.010 175.900 0.447 0.000 0.976 977 Y CA -0.902 57.375 58.100 0.294 0.000 1.040 977 Y CB 2.774 41.373 38.460 0.232 0.000 1.228 977 Y HN 0.346 nan 8.280 nan 0.000 0.451 978 V N 5.116 125.325 119.914 0.491 0.000 2.370 978 V HA 0.384 4.504 4.120 -0.000 0.000 0.283 978 V C -0.396 175.923 176.094 0.376 0.000 1.023 978 V CA -0.727 61.786 62.300 0.356 0.000 0.857 978 V CB 1.348 33.334 31.823 0.271 0.000 0.985 978 V HN 0.609 nan 8.190 nan 0.000 0.443 979 L N 4.768 126.200 121.223 0.348 0.000 2.296 979 L HA 0.570 4.910 4.340 -0.000 0.000 0.286 979 L C -0.750 176.315 176.870 0.325 0.000 1.023 979 L CA -0.587 54.451 54.840 0.329 0.000 0.812 979 L CB 1.524 43.772 42.059 0.315 0.000 1.223 979 L HN 0.725 nan 8.230 nan 0.000 0.421 980 H N 3.877 123.097 119.070 0.251 0.000 2.547 980 H HA 0.455 5.010 4.556 -0.001 0.000 0.342 980 H C -1.035 174.380 175.328 0.145 0.000 1.048 980 H CA -0.606 55.561 56.048 0.198 0.000 1.204 980 H CB 1.430 31.380 29.762 0.312 0.000 1.493 980 H HN 0.453 nan 8.280 nan 0.000 0.511 981 R N 4.221 124.354 120.500 -0.612 0.000 2.343 981 R HA 0.315 4.655 4.340 -0.000 0.000 0.320 981 R C -0.358 175.505 176.300 -0.728 0.000 0.956 981 R CA -0.500 55.320 56.100 -0.467 0.000 0.836 981 R CB 1.330 31.490 30.300 -0.233 0.000 1.151 981 R HN 0.759 nan 8.270 nan 0.000 0.450 982 T N 1.502 115.786 114.554 -0.451 0.000 2.793 982 T HA 0.180 4.530 4.350 -0.000 0.000 0.299 982 T C -0.512 174.012 174.700 -0.293 0.000 1.038 982 T CA -0.422 61.507 62.100 -0.284 0.000 0.948 982 T CB 0.561 69.334 68.868 -0.158 0.000 1.231 982 T HN 0.670 nan 8.240 nan 0.000 0.538 983 N N 0.652 119.205 118.700 -0.246 0.000 2.399 983 N HA 0.461 5.201 4.740 -0.000 0.000 0.284 983 N C -1.450 173.898 175.510 -0.270 0.000 1.025 983 N CA -0.479 52.367 53.050 -0.340 0.000 0.885 983 N CB 0.636 38.770 38.487 -0.588 0.000 1.339 983 N HN 0.462 nan 8.380 nan 0.000 0.487 984 L N 2.762 123.823 121.223 -0.269 0.000 2.325 984 L HA 0.534 4.873 4.340 -0.000 0.000 0.278 984 L C 0.561 177.305 176.870 -0.210 0.000 1.023 984 L CA -0.949 53.767 54.840 -0.207 0.000 0.811 984 L CB 1.561 43.507 42.059 -0.188 0.000 1.249 984 L HN 0.388 nan 8.230 nan 0.000 0.431 985 M N 2.131 121.627 119.600 -0.173 0.000 2.249 985 M HA 0.067 4.547 4.480 -0.000 0.000 0.340 985 M C -0.091 176.121 176.300 -0.146 0.000 1.166 985 M CA -0.083 55.118 55.300 -0.165 0.000 1.115 985 M CB 0.410 32.919 32.600 -0.152 0.000 1.606 985 M HN 0.463 nan 8.290 nan 0.000 0.448 986 Q N 1.897 121.616 119.800 -0.135 0.000 2.307 986 Q HA 0.162 4.502 4.340 -0.000 0.000 0.259 986 Q C -0.179 175.765 176.000 -0.094 0.000 0.998 986 Q CA 0.183 55.921 55.803 -0.108 0.000 0.923 986 Q CB 0.783 29.461 28.738 -0.100 0.000 1.196 986 Q HN 0.802 nan 8.270 nan 0.000 0.416 987 c N 0.513 119.062 118.600 -0.086 0.000 3.240 987 c HA 0.355 4.924 4.570 -0.000 0.000 0.271 987 c C 1.235 175.287 174.090 -0.063 0.000 1.534 987 c CA -0.028 56.255 56.329 -0.077 0.000 1.796 987 c CB -0.244 42.214 42.510 -0.086 0.000 2.892 987 c HN 1.000 nan 8.230 nan 0.000 0.566 988 G N 1.556 110.321 108.800 -0.059 0.000 2.141 988 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.231 988 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.231 988 G C -0.038 174.834 174.900 -0.047 0.000 0.984 988 G CA 0.376 45.447 45.100 -0.049 0.000 0.660 988 G HN 0.467 nan 8.290 nan 0.000 0.525 989 T N 2.034 116.556 114.554 -0.053 0.000 2.723 989 T HA 0.463 4.813 4.350 -0.000 0.000 0.297 989 T C -0.420 174.249 174.700 -0.051 0.000 0.925 989 T CA -0.557 61.513 62.100 -0.050 0.000 1.030 989 T CB 1.767 70.603 68.868 -0.054 0.000 0.905 989 T HN 0.028 nan 8.240 nan 0.000 0.502 990 P HA -0.220 nan 4.420 nan 0.000 0.218 990 P C 0.315 177.584 177.300 -0.052 0.000 1.165 990 P CA 0.973 64.050 63.100 -0.037 0.000 0.922 990 P CB -0.029 31.656 31.700 -0.024 0.000 0.794 991 E N -0.997 119.167 120.200 -0.061 0.000 2.596 991 E HA -0.239 4.111 4.350 -0.000 0.000 0.154 991 E C 0.280 176.810 176.600 -0.117 0.000 1.849 991 E CA 0.178 56.524 56.400 -0.089 0.000 0.629 991 E CB -0.371 29.280 29.700 -0.083 0.000 1.066 991 E HN 0.209 nan 8.360 nan 0.000 0.334 992 E N 0.189 120.287 120.200 -0.171 0.000 4.087 992 E HA 0.125 4.475 4.350 -0.000 0.000 0.195 992 E C -0.785 175.651 176.600 -0.274 0.000 0.963 992 E CA 0.157 56.469 56.400 -0.146 0.000 1.167 992 E CB -0.266 29.415 29.700 -0.033 0.000 1.838 992 E HN 0.611 nan 8.360 nan 0.000 0.390 993 H N 0.399 119.464 119.070 -0.009 0.000 2.527 993 H HA -0.036 4.520 4.556 -0.000 0.000 0.238 993 H C -0.342 174.993 175.328 0.011 0.000 0.658 993 H CA 0.879 56.925 56.048 -0.002 0.000 1.429 993 H CB -1.349 28.410 29.762 -0.005 0.000 1.348 993 H HN 0.213 nan 8.280 nan 0.000 0.379 994 T N 0.671 115.266 114.554 0.067 0.000 2.887 994 T HA 0.535 4.885 4.350 -0.000 0.000 0.292 994 T C -0.277 174.476 174.700 0.089 0.000 1.087 994 T CA -1.342 60.803 62.100 0.075 0.000 1.009 994 T CB 2.027 70.910 68.868 0.024 0.000 1.203 994 T HN 0.733 nan 8.240 nan 0.000 0.518 995 Q N 0.555 120.413 119.800 0.098 0.000 2.222 995 Q HA 0.411 4.751 4.340 -0.000 0.000 0.252 995 Q C -0.373 175.657 176.000 0.050 0.000 0.926 995 Q CA -0.956 54.892 55.803 0.075 0.000 0.899 995 Q CB 1.706 30.497 28.738 0.088 0.000 1.250 995 Q HN 0.630 nan 8.270 nan 0.000 0.441 996 K N 1.830 122.247 120.400 0.027 0.000 2.484 996 K HA 0.036 4.356 4.320 -0.000 0.000 0.280 996 K C -0.966 175.637 176.600 0.006 0.000 1.013 996 K CA -0.210 56.082 56.287 0.009 0.000 1.029 996 K CB 0.322 32.816 32.500 -0.009 0.000 0.902 996 K HN 0.409 nan 8.250 nan 0.000 0.481 997 L N 4.851 126.075 121.223 0.001 0.000 2.257 997 L HA 0.264 4.603 4.340 -0.000 0.000 0.290 997 L C -1.111 175.722 176.870 -0.060 0.000 1.044 997 L CA -0.004 54.827 54.840 -0.015 0.000 0.810 997 L CB 1.165 43.227 42.059 0.004 0.000 1.193 997 L HN 0.631 nan 8.230 nan 0.000 0.425 998 D N 3.538 123.895 120.400 -0.073 0.000 2.472 998 D HA 0.153 4.793 4.640 -0.000 0.000 0.234 998 D C 1.094 177.302 176.300 -0.154 0.000 1.088 998 D CA -0.290 53.646 54.000 -0.107 0.000 0.882 998 D CB 1.199 41.975 40.800 -0.040 0.000 1.037 998 D HN 0.379 nan 8.370 nan 0.000 0.520 999 V N 1.337 121.062 119.914 -0.315 0.000 2.594 999 V HA -0.185 3.935 4.120 -0.000 0.000 0.253 999 V C 2.090 177.895 176.094 -0.482 0.000 1.069 999 V CA 1.058 62.998 62.300 -0.601 0.000 1.082 999 V CB -1.103 30.070 31.823 -1.084 0.000 0.680 999 V HN 0.605 nan 8.190 nan 0.000 0.469 1000 c N 0.499 118.952 118.600 -0.245 0.000 2.472 1000 c HA 0.052 4.622 4.570 -0.000 0.000 0.278 1000 c C 2.020 176.029 174.090 -0.135 0.000 1.447 1000 c CA 1.074 57.329 56.329 -0.124 0.000 1.773 1000 c CB -1.901 40.529 42.510 -0.133 0.000 1.793 1000 c HN 0.760 nan 8.230 nan 0.000 0.544 1001 H N -1.019 118.033 119.070 -0.029 0.000 2.542 1001 H HA 0.267 4.823 4.556 -0.000 0.000 0.283 1001 H C 1.681 177.046 175.328 0.062 0.000 1.059 1001 H CA -0.021 56.051 56.048 0.039 0.000 1.162 1001 H CB 0.075 29.840 29.762 0.007 0.000 1.539 1001 H HN 0.341 nan 8.280 nan 0.000 0.543 1002 L N -0.131 121.158 121.223 0.111 0.000 2.217 1002 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 1002 L C 0.115 177.133 176.870 0.248 0.000 1.107 1002 L CA 0.820 55.749 54.840 0.149 0.000 0.783 1002 L CB 0.163 42.275 42.059 0.088 0.000 0.919 1002 L HN 0.206 nan 8.230 nan 0.000 0.442 1003 L N -0.070 121.259 121.223 0.177 0.000 2.331 1003 L HA 0.395 4.735 4.340 -0.000 0.000 0.275 1003 L C -2.109 174.822 176.870 0.101 0.000 1.022 1003 L CA -1.987 52.888 54.840 0.058 0.000 0.812 1003 L CB 1.475 43.323 42.059 -0.351 0.000 1.257 1003 L HN -0.209 nan 8.230 nan 0.000 0.435 1004 P HA 0.149 nan 4.420 nan 0.000 0.276 1004 P C -0.890 176.536 177.300 0.210 0.000 1.261 1004 P CA -0.309 62.872 63.100 0.135 0.000 0.800 1004 P CB 0.385 32.139 31.700 0.090 0.000 1.066 1005 N N -3.183 115.613 118.700 0.159 0.000 2.758 1005 N HA -0.145 4.594 4.740 -0.000 0.000 0.248 1005 N C 0.004 175.585 175.510 0.118 0.000 1.076 1005 N CA 0.043 53.171 53.050 0.129 0.000 0.696 1005 N CB -1.886 36.671 38.487 0.116 0.000 0.979 1005 N HN 0.253 nan 8.380 nan 0.000 0.550 1006 V N -0.025 119.908 119.914 0.031 0.000 2.655 1006 V HA 0.389 4.509 4.120 -0.000 0.000 0.300 1006 V C 1.168 177.152 176.094 -0.184 0.000 1.044 1006 V CA 1.187 63.328 62.300 -0.264 0.000 1.095 1006 V CB 1.303 32.873 31.823 -0.422 0.000 0.952 1006 V HN 0.422 nan 8.190 nan 0.000 0.485 1007 A N 6.835 129.524 122.820 -0.218 0.000 2.211 1007 A HA 0.489 4.809 4.320 -0.000 0.000 0.208 1007 A C 0.933 178.470 177.584 -0.079 0.000 1.250 1007 A CA 0.005 51.980 52.037 -0.104 0.000 0.935 1007 A CB 0.267 19.223 19.000 -0.073 0.000 0.982 1007 A HN 0.771 nan 8.150 nan 0.000 0.490 1008 R N -1.621 118.804 120.500 -0.126 0.000 2.629 1008 R HA 0.497 4.836 4.340 -0.000 0.000 0.266 1008 R C -2.294 173.975 176.300 -0.051 0.000 1.051 1008 R CA -0.334 55.747 56.100 -0.031 0.000 0.895 1008 R CB 1.599 31.870 30.300 -0.047 0.000 1.246 1008 R HN 0.290 nan 8.270 nan 0.000 0.459 1009 c N 2.667 121.300 118.600 0.055 0.000 2.431 1009 c HA 0.603 5.173 4.570 -0.000 0.000 0.321 1009 c C -1.164 173.026 174.090 0.166 0.000 1.202 1009 c CA -0.225 56.142 56.329 0.063 0.000 1.398 1009 c CB 1.166 43.681 42.510 0.008 0.000 2.047 1009 c HN 0.912 nan 8.230 nan 0.000 0.465 1010 E N 2.987 123.298 120.200 0.185 0.000 2.266 1010 E HA 0.438 4.788 4.350 -0.000 0.000 0.268 1010 E C -0.858 175.913 176.600 0.286 0.000 0.879 1010 E CA -0.582 55.942 56.400 0.207 0.000 0.762 1010 E CB 1.785 31.560 29.700 0.125 0.000 1.199 1010 E HN 0.634 nan 8.360 nan 0.000 0.422 1011 R N 1.490 122.144 120.500 0.256 0.000 2.438 1011 R HA 0.282 4.622 4.340 -0.000 0.000 0.287 1011 R C -0.426 175.904 176.300 0.050 0.000 1.077 1011 R CA 0.180 56.351 56.100 0.117 0.000 1.034 1011 R CB 0.560 30.902 30.300 0.069 0.000 0.993 1011 R HN 0.688 nan 8.270 nan 0.000 0.459 1012 T N -0.322 114.234 114.554 0.003 0.000 2.907 1012 T HA 0.351 4.701 4.350 -0.000 0.000 0.290 1012 T C 0.124 174.807 174.700 -0.029 0.000 1.066 1012 T CA -0.792 61.333 62.100 0.040 0.000 1.012 1012 T CB 1.406 70.368 68.868 0.156 0.000 1.184 1012 T HN 0.620 nan 8.240 nan 0.000 0.522 1013 T N 0.101 114.642 114.554 -0.022 0.000 2.795 1013 T HA 0.204 4.554 4.350 -0.000 0.000 0.314 1013 T C 1.559 176.178 174.700 -0.135 0.000 1.069 1013 T CA -0.683 61.381 62.100 -0.060 0.000 1.071 1013 T CB -0.059 68.791 68.868 -0.031 0.000 0.988 1013 T HN 0.563 nan 8.240 nan 0.000 0.543 1014 L N 1.015 122.142 121.223 -0.159 0.000 2.362 1014 L HA -0.018 4.322 4.340 -0.000 0.000 0.219 1014 L C 2.844 179.423 176.870 -0.486 0.000 1.134 1014 L CA 1.337 56.014 54.840 -0.272 0.000 0.807 1014 L CB -0.966 41.021 42.059 -0.119 0.000 0.927 1014 L HN 0.988 nan 8.230 nan 0.000 0.447 1015 T N -4.839 109.536 114.554 -0.298 0.000 3.129 1015 T HA -0.007 4.343 4.350 -0.000 0.000 0.251 1015 T C 0.758 175.356 174.700 -0.172 0.000 1.117 1015 T CA -0.189 61.767 62.100 -0.240 0.000 1.034 1015 T CB -0.158 68.694 68.868 -0.027 0.000 0.968 1015 T HN 0.210 nan 8.240 nan 0.000 0.526 1016 F N -0.912 119.050 119.950 0.020 0.000 2.794 1016 F HA -0.186 4.341 4.527 -0.000 0.000 0.335 1016 F C 1.009 176.808 175.800 -0.001 0.000 0.653 1016 F CA -0.050 57.954 58.000 0.006 0.000 1.266 1016 F CB -2.296 36.703 39.000 -0.001 0.000 1.666 1016 F HN 0.247 nan 8.300 nan 0.000 0.314 1017 L N -0.815 120.476 121.223 0.114 0.000 2.567 1017 L HA 0.115 4.455 4.340 -0.000 0.000 0.225 1017 L C 1.024 177.915 176.870 0.035 0.000 1.119 1017 L CA 0.809 55.689 54.840 0.067 0.000 0.871 1017 L CB 0.204 42.286 42.059 0.039 0.000 1.036 1017 L HN 0.345 nan 8.230 nan 0.000 0.459 1018 Q N 0.440 120.260 119.800 0.034 0.000 2.305 1018 Q HA 0.275 4.614 4.340 -0.000 0.000 0.271 1018 Q C -1.172 174.843 176.000 0.026 0.000 1.046 1018 Q CA -0.713 55.098 55.803 0.013 0.000 0.798 1018 Q CB 1.913 30.646 28.738 -0.009 0.000 1.286 1018 Q HN 0.072 nan 8.270 nan 0.000 0.435 1019 N N 4.402 123.115 118.700 0.022 0.000 2.458 1019 N HA 0.189 4.928 4.740 -0.000 0.000 0.270 1019 N C 0.254 175.779 175.510 0.025 0.000 1.102 1019 N CA 0.220 53.288 53.050 0.031 0.000 0.967 1019 N CB 1.106 39.605 38.487 0.020 0.000 1.078 1019 N HN 0.648 nan 8.380 nan 0.000 0.471 1020 L N 0.453 121.696 121.223 0.033 0.000 2.537 1020 L HA 0.302 4.642 4.340 -0.000 0.000 0.224 1020 L C 0.668 177.566 176.870 0.046 0.000 1.065 1020 L CA 0.422 55.277 54.840 0.025 0.000 0.860 1020 L CB 0.366 42.429 42.059 0.006 0.000 1.086 1020 L HN 0.513 nan 8.230 nan 0.000 0.482 1021 E N -0.374 119.872 120.200 0.078 0.000 2.354 1021 E HA 0.114 4.464 4.350 -0.000 0.000 0.283 1021 E C -1.458 175.242 176.600 0.167 0.000 0.938 1021 E CA -0.527 55.936 56.400 0.105 0.000 0.777 1021 E CB 1.698 31.454 29.700 0.093 0.000 1.222 1021 E HN 0.117 nan 8.360 nan 0.000 0.423 1022 H N 6.003 125.099 119.070 0.044 0.000 2.594 1022 H HA 0.361 4.917 4.556 -0.000 0.000 0.304 1022 H C -0.786 174.567 175.328 0.041 0.000 1.068 1022 H CA -0.586 55.485 56.048 0.039 0.000 1.308 1022 H CB 0.647 30.421 29.762 0.021 0.000 1.409 1022 H HN 0.337 nan 8.280 nan 0.000 0.460 1023 L N 4.946 126.210 121.223 0.068 0.000 2.307 1023 L HA 0.132 4.472 4.340 -0.000 0.000 0.282 1023 L C 0.239 177.031 176.870 -0.129 0.000 1.051 1023 L CA -0.886 53.944 54.840 -0.017 0.000 0.804 1023 L CB 1.240 43.333 42.059 0.057 0.000 1.197 1023 L HN 0.671 nan 8.230 nan 0.000 0.431 1024 D N 2.441 122.771 120.400 -0.117 0.000 2.458 1024 D HA 0.105 4.745 4.640 -0.000 0.000 0.243 1024 D C 1.138 177.407 176.300 -0.052 0.000 1.146 1024 D CA 1.287 55.222 54.000 -0.108 0.000 0.877 1024 D CB 1.234 41.992 40.800 -0.070 0.000 1.176 1024 D HN 0.842 nan 8.370 nan 0.000 0.461 1025 G N 3.315 112.089 108.800 -0.043 0.000 2.180 1025 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.263 1025 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.263 1025 G C 0.847 175.789 174.900 0.070 0.000 0.989 1025 G CA 0.566 45.671 45.100 0.009 0.000 0.692 1025 G HN 0.667 nan 8.290 nan 0.000 0.526 1026 M N -2.869 116.752 119.600 0.034 0.000 2.576 1026 M HA -0.194 4.286 4.480 -0.000 0.000 0.200 1026 M C 0.207 176.567 176.300 0.099 0.000 0.487 1026 M CA 0.915 56.239 55.300 0.040 0.000 0.553 1026 M CB -1.774 30.818 32.600 -0.014 0.000 2.042 1026 M HN 0.201 nan 8.290 nan 0.000 0.758 1027 V N 0.855 120.806 119.914 0.061 0.000 2.394 1027 V HA 0.697 4.816 4.120 -0.000 0.000 0.282 1027 V C 0.679 176.711 176.094 -0.103 0.000 1.031 1027 V CA -0.279 62.034 62.300 0.022 0.000 0.881 1027 V CB 1.721 33.538 31.823 -0.010 0.000 0.982 1027 V HN 0.367 nan 8.190 nan 0.000 0.451 1028 A N 8.107 130.786 122.820 -0.235 0.000 2.310 1028 A HA 0.710 5.029 4.320 -0.000 0.000 0.300 1028 A C -2.391 174.930 177.584 -0.438 0.000 1.269 1028 A CA -1.384 50.288 52.037 -0.609 0.000 0.909 1028 A CB -0.014 18.343 19.000 -1.073 0.000 1.144 1028 A HN 0.634 nan 8.150 nan 0.000 0.540 1029 P HA 0.180 nan 4.420 nan 0.000 0.272 1029 P C -0.066 177.218 177.300 -0.026 0.000 1.223 1029 P CA -0.162 62.889 63.100 -0.082 0.000 0.784 1029 P CB 0.566 32.279 31.700 0.021 0.000 0.923 1030 E N -0.160 120.040 120.200 -0.000 0.000 2.391 1030 E HA 0.250 4.600 4.350 -0.000 0.000 0.255 1030 E C 0.110 176.759 176.600 0.082 0.000 1.187 1030 E CA -0.764 55.664 56.400 0.046 0.000 0.941 1030 E CB 0.377 30.088 29.700 0.019 0.000 1.010 1030 E HN 0.299 nan 8.360 nan 0.000 0.458 1031 V N -1.668 118.296 119.914 0.083 0.000 2.966 1031 V HA 0.388 4.507 4.120 -0.000 0.000 0.317 1031 V C 0.039 176.137 176.094 0.005 0.000 1.070 1031 V CA -1.091 61.248 62.300 0.064 0.000 1.008 1031 V CB 1.368 33.238 31.823 0.078 0.000 1.070 1031 V HN 0.754 nan 8.190 nan 0.000 0.457 1032 c N 2.530 121.129 118.600 -0.003 0.000 2.595 1032 c HA 0.453 5.023 4.570 -0.000 0.000 0.384 1032 c C -2.091 171.947 174.090 -0.086 0.000 1.289 1032 c CA -0.318 55.992 56.329 -0.032 0.000 2.372 1032 c CB 0.042 42.550 42.510 -0.003 0.000 2.593 1032 c HN 0.822 nan 8.230 nan 0.000 0.639 1033 P HA 0.041 nan 4.420 nan 0.000 0.264 1033 P C 0.246 177.404 177.300 -0.237 0.000 1.183 1033 P CA 0.883 63.854 63.100 -0.216 0.000 0.763 1033 P CB 0.183 31.738 31.700 -0.242 0.000 0.807 1034 M N -1.215 118.196 119.600 -0.315 0.000 2.908 1034 M HA -0.183 4.296 4.480 -0.000 0.000 0.191 1034 M C -0.173 176.142 176.300 0.025 0.000 0.619 1034 M CA 1.357 56.466 55.300 -0.318 0.000 0.709 1034 M CB -2.078 30.030 32.600 -0.820 0.000 2.554 1034 M HN 0.430 nan 8.290 nan 0.000 0.356 1035 E N 0.176 120.376 120.200 -0.001 0.000 2.222 1035 E HA 0.711 5.061 4.350 -0.000 0.000 0.267 1035 E C 0.032 176.699 176.600 0.111 0.000 0.963 1035 E CA -0.156 56.314 56.400 0.118 0.000 0.837 1035 E CB 1.537 31.271 29.700 0.056 0.000 1.183 1035 E HN 0.132 nan 8.360 nan 0.000 0.403 1036 T N 0.576 115.214 114.554 0.140 0.000 2.881 1036 T HA 0.690 5.040 4.350 -0.000 0.000 0.290 1036 T C -0.803 173.912 174.700 0.024 0.000 1.000 1036 T CA -0.649 61.542 62.100 0.150 0.000 0.978 1036 T CB 1.567 70.538 68.868 0.172 0.000 0.997 1036 T HN 0.514 nan 8.240 nan 0.000 0.443 1037 A N 1.967 124.803 122.820 0.027 0.000 2.479 1037 A HA 1.012 5.332 4.320 -0.000 0.000 0.296 1037 A C -1.014 176.474 177.584 -0.160 0.000 1.121 1037 A CA -0.945 51.013 52.037 -0.131 0.000 0.743 1037 A CB 1.529 20.404 19.000 -0.208 0.000 1.323 1037 A HN 1.112 nan 8.150 nan 0.000 0.415 1038 A N 0.049 122.681 122.820 -0.314 0.000 2.401 1038 A HA 0.829 5.149 4.320 -0.000 0.000 0.310 1038 A C -1.645 175.745 177.584 -0.323 0.000 1.075 1038 A CA -0.359 51.604 52.037 -0.124 0.000 0.746 1038 A CB 0.838 19.797 19.000 -0.069 0.000 1.277 1038 A HN 0.865 nan 8.150 nan 0.000 0.425 1039 Y N -0.101 120.415 120.300 0.361 0.000 2.512 1039 Y HA 0.581 5.131 4.550 -0.000 0.000 0.348 1039 Y C -0.285 175.794 175.900 0.298 0.000 0.990 1039 Y CA -0.886 57.383 58.100 0.282 0.000 1.033 1039 Y CB 2.512 41.101 38.460 0.214 0.000 1.259 1039 Y HN 0.424 nan 8.280 nan 0.000 0.461 1040 V N 2.357 122.475 119.914 0.339 0.000 2.531 1040 V HA 0.502 4.622 4.120 -0.000 0.000 0.301 1040 V C -0.655 175.526 176.094 0.145 0.000 1.034 1040 V CA -0.945 61.447 62.300 0.153 0.000 0.865 1040 V CB 1.782 33.628 31.823 0.038 0.000 0.995 1040 V HN 0.829 nan 8.190 nan 0.000 0.424 1041 S N 3.421 119.213 115.700 0.154 0.000 2.541 1041 S HA 0.723 5.193 4.470 -0.000 0.000 0.283 1041 S C -0.227 174.315 174.600 -0.097 0.000 1.196 1041 S CA -0.592 57.626 58.200 0.029 0.000 1.062 1041 S CB 1.608 64.905 63.200 0.162 0.000 1.009 1041 S HN 0.564 nan 8.310 nan 0.000 0.502 1042 S N 2.327 117.842 115.700 -0.309 0.000 2.501 1042 S HA 0.529 4.999 4.470 -0.000 0.000 0.301 1042 S C -0.895 173.376 174.600 -0.549 0.000 1.096 1042 S CA -0.766 57.279 58.200 -0.258 0.000 1.063 1042 S CB 0.518 63.636 63.200 -0.136 0.000 1.042 1042 S HN 0.783 nan 8.310 nan 0.000 0.494 1043 H N 0.874 119.930 119.070 -0.024 0.000 2.679 1043 H HA 0.278 4.834 4.556 -0.000 0.000 0.360 1043 H C 0.060 175.381 175.328 -0.013 0.000 1.105 1043 H CA -0.546 55.491 56.048 -0.018 0.000 1.196 1043 H CB 1.820 31.574 29.762 -0.013 0.000 1.636 1043 H HN 0.662 nan 8.280 nan 0.000 0.531 1044 S N 1.321 117.066 115.700 0.075 0.000 2.634 1044 S HA 0.004 4.474 4.470 -0.000 0.000 0.221 1044 S C 1.114 175.745 174.600 0.052 0.000 0.952 1044 S CA -0.290 57.936 58.200 0.044 0.000 0.930 1044 S CB 0.085 63.298 63.200 0.022 0.000 0.780 1044 S HN 0.529 nan 8.310 nan 0.000 0.498 1045 S N 0.000 115.750 115.700 0.083 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1045 S CA 0.000 58.236 58.200 0.060 0.000 1.107 1045 S CB 0.000 63.229 63.200 0.048 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517