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 3bui_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 SWAIAPFGHS PTMPYILQKS GFKNMLIQRT DATA SEQUENCE HYSVKKELAQ QRQLEFLWRQ IWDNKGDTAL FTHMMPFYSY DIPHTcGPDP DATA SEQUENCE KVccQFDFKR MGSFGLScPW KVPPRTISDQ NVAARSDLLV DQWKKKAELY DATA SEQUENCE RTNVLLIPLG DDFRFKQNTE WDVQRVNYER LFEHINSQAH FNVQAQFGTL DATA SEQUENCE QEYFDAVHQA ERAGQAEFPT LSGDFFTYAD RSDNYWSGYY TSRPYHKRMD DATA SEQUENCE RVLMHYVRAA EMLSAWHSWD GMARIEERLE QARRELSLFQ HHDGITGTAK DATA SEQUENCE THVVVDYEQR MQEALKACQM VMQQSVYRLL TKPSIYSPDF SFSYFTLDDS DATA SEQUENCE RWPGSGVEDS RTTIILGEDI LPSKHVVMHN TLPHWREQLV DFYVSSPFVS DATA SEQUENCE VTDLANNPVE AQVSPVWSWH HDTLTKTIHP QGSTTKYRII FKARVPPMGL DATA SEQUENCE ATYVLTISDS KPEHTSYASN LLLRKNPTSL PLGQYPEDVK FGDPREISLR DATA SEQUENCE VGNGPTLAFS EQGLLKSIQL TQDSPHVPVH FKFLKYGVRS HGDRSGAYLF DATA SEQUENCE LPNGPASPVE LGQPVVLVTK GKLESSVSVG LPSVVHQTIM RGGAPEIRNL DATA SEQUENCE VDIGSLDNTE IVMRLETHID SGDIFYTDLN GLQFIKRRRL DKLPLQANYY DATA SEQUENCE PIPSGMFIED ANTRLTLLTG QPLGGSSLAS GELEIMQDRR LASDDERGLG DATA SEQUENCE QGVLDNKPVL HIYRLVLEKV NNcVRPSKLH PAGYLTSAAH KASQSLLDPL DATA SEQUENCE DKFIFAENEW IGAQGQFGGD HPSAREDLDV SVMRRLTKSS AKTQRVGYVL DATA SEQUENCE HRTNLMQcGT PEEHTQKLDV cHLLPNVARc ERTTLTFLQN LEHLDGMVAP DATA SEQUENCE EVcPMETAAY VSSHSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 176.009 176.000 0.015 0.000 1.003 30 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 30 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 31 c N 3.621 122.226 118.600 0.008 0.000 2.653 31 c HA 0.153 4.722 4.570 -0.001 0.000 0.421 31 c C 0.642 174.745 174.090 0.020 0.000 1.334 31 c CA -0.169 56.166 56.329 0.010 0.000 1.885 31 c CB 0.183 42.686 42.510 -0.013 0.000 2.645 31 c HN 0.743 nan 8.230 nan 0.000 0.601 32 Q N 1.725 121.553 119.800 0.047 0.000 2.392 32 Q HA 0.079 4.419 4.340 -0.001 0.000 0.262 32 Q C 0.027 176.058 176.000 0.051 0.000 1.003 32 Q CA 0.240 56.086 55.803 0.071 0.000 0.888 32 Q CB 0.563 29.382 28.738 0.135 0.000 1.260 32 Q HN 0.645 nan 8.270 nan 0.000 0.435 33 D N 1.529 121.962 120.400 0.054 0.000 2.317 33 D HA 0.064 4.704 4.640 -0.001 0.000 0.252 33 D C 0.438 176.785 176.300 0.078 0.000 1.174 33 D CA -0.212 53.801 54.000 0.022 0.000 0.866 33 D CB 1.368 42.179 40.800 0.019 0.000 1.127 33 D HN 0.381 nan 8.370 nan 0.000 0.467 34 V N 2.117 122.029 119.914 -0.003 0.000 3.647 34 V HA 0.104 4.224 4.120 -0.001 0.000 0.279 34 V C 1.095 177.236 176.094 0.079 0.000 1.314 34 V CA 0.065 62.427 62.300 0.103 0.000 1.125 34 V CB 0.256 31.962 31.823 -0.195 0.000 0.907 34 V HN 0.394 nan 8.190 nan 0.000 0.434 35 V N -0.016 119.858 119.914 -0.067 0.000 2.908 35 V HA 0.117 4.236 4.120 -0.001 0.000 0.240 35 V C 2.234 178.302 176.094 -0.042 0.000 1.117 35 V CA 1.209 63.421 62.300 -0.147 0.000 1.133 35 V CB 0.030 31.719 31.823 -0.224 0.000 0.857 35 V HN 0.490 nan 8.190 nan 0.000 0.478 36 Q N -0.295 119.534 119.800 0.047 0.000 2.319 36 Q HA 0.149 4.488 4.340 -0.001 0.000 0.209 36 Q C -0.577 175.506 176.000 0.138 0.000 0.884 36 Q CA 0.193 56.041 55.803 0.075 0.000 0.938 36 Q CB 0.712 29.468 28.738 0.030 0.000 1.098 36 Q HN 0.506 nan 8.270 nan 0.000 0.517 37 D N 1.173 121.689 120.400 0.195 0.000 2.440 37 D HA 0.185 4.824 4.640 -0.001 0.000 0.239 37 D C -0.711 175.708 176.300 0.198 0.000 1.084 37 D CA -0.277 53.820 54.000 0.162 0.000 0.843 37 D CB 2.270 43.142 40.800 0.121 0.000 1.097 37 D HN -0.175 nan 8.370 nan 0.000 0.531 38 V N 4.335 124.330 119.914 0.136 0.000 2.470 38 V HA 0.163 4.283 4.120 -0.001 0.000 0.276 38 V C -1.851 174.222 176.094 -0.034 0.000 1.040 38 V CA -1.156 61.147 62.300 0.004 0.000 1.008 38 V CB 0.629 32.461 31.823 0.016 0.000 0.990 38 V HN 0.311 nan 8.190 nan 0.000 0.477 39 P HA 0.116 nan 4.420 nan 0.000 0.269 39 P C -0.493 176.779 177.300 -0.047 0.000 1.209 39 P CA -0.252 62.817 63.100 -0.051 0.000 0.776 39 P CB 0.375 32.027 31.700 -0.080 0.000 0.876 40 N N 2.457 121.144 118.700 -0.021 0.000 2.462 40 N HA 0.315 5.054 4.740 -0.001 0.000 0.242 40 N C -1.095 174.407 175.510 -0.014 0.000 1.010 40 N CA -0.397 52.644 53.050 -0.016 0.000 0.939 40 N CB 0.002 38.489 38.487 -0.001 0.000 1.127 40 N HN 0.119 nan 8.380 nan 0.000 0.509 41 V N 0.408 120.307 119.914 -0.027 0.000 2.960 41 V HA 0.540 4.659 4.120 -0.001 0.000 0.315 41 V C 0.627 176.706 176.094 -0.025 0.000 1.087 41 V CA -0.750 61.537 62.300 -0.021 0.000 0.982 41 V CB 2.062 33.861 31.823 -0.040 0.000 1.039 41 V HN 0.362 nan 8.190 nan 0.000 0.437 42 D N 0.961 121.354 120.400 -0.012 0.000 2.149 42 D HA 0.028 4.667 4.640 -0.001 0.000 0.201 42 D C 0.478 176.747 176.300 -0.051 0.000 0.972 42 D CA 1.562 55.552 54.000 -0.017 0.000 0.835 42 D CB 0.516 41.322 40.800 0.010 0.000 0.966 42 D HN 0.421 nan 8.370 nan 0.000 0.476 43 V N 1.541 121.402 119.914 -0.087 0.000 2.483 43 V HA 0.210 4.329 4.120 -0.001 0.000 0.297 43 V C -0.347 175.649 176.094 -0.163 0.000 1.027 43 V CA -0.747 61.470 62.300 -0.138 0.000 0.855 43 V CB 2.398 34.094 31.823 -0.212 0.000 0.995 43 V HN -0.087 nan 8.190 nan 0.000 0.424 44 Q N 4.519 124.235 119.800 -0.140 0.000 2.341 44 Q HA 0.443 4.783 4.340 -0.001 0.000 0.268 44 Q C 0.397 176.298 176.000 -0.166 0.000 1.013 44 Q CA -0.684 55.029 55.803 -0.151 0.000 0.798 44 Q CB 1.905 30.577 28.738 -0.111 0.000 1.253 44 Q HN 0.671 nan 8.270 nan 0.000 0.457 45 M N 3.058 122.510 119.600 -0.246 0.000 2.213 45 M HA -0.147 4.333 4.480 -0.001 0.000 0.263 45 M C 1.604 177.794 176.300 -0.184 0.000 1.062 45 M CA 0.904 56.043 55.300 -0.269 0.000 1.105 45 M CB -0.753 31.551 32.600 -0.493 0.000 1.385 45 M HN 0.566 nan 8.290 nan 0.000 0.417 46 L N 0.748 121.860 121.223 -0.184 0.000 2.056 46 L HA -0.133 4.207 4.340 -0.001 0.000 0.207 46 L C 2.488 179.350 176.870 -0.012 0.000 1.078 46 L CA 1.810 56.578 54.840 -0.121 0.000 0.749 46 L CB -0.643 41.319 42.059 -0.161 0.000 0.901 46 L HN 0.267 nan 8.230 nan 0.000 0.433 47 E N -0.370 119.808 120.200 -0.037 0.000 2.072 47 E HA -0.230 4.120 4.350 -0.001 0.000 0.191 47 E C 2.198 178.812 176.600 0.023 0.000 0.985 47 E CA 1.421 57.815 56.400 -0.010 0.000 0.801 47 E CB -0.292 29.387 29.700 -0.035 0.000 0.750 47 E HN 0.448 nan 8.360 nan 0.000 0.452 48 L N 0.493 121.728 121.223 0.020 0.000 2.046 48 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 48 L C 2.295 179.237 176.870 0.119 0.000 1.077 48 L CA 1.657 56.516 54.840 0.032 0.000 0.747 48 L CB -0.955 41.108 42.059 0.008 0.000 0.896 48 L HN 0.120 nan 8.230 nan 0.000 0.432 49 Y N -0.067 120.236 120.300 0.004 0.000 2.207 49 Y HA -0.262 4.287 4.550 -0.001 0.000 0.287 49 Y C 2.548 178.546 175.900 0.162 0.000 1.156 49 Y CA 1.819 60.013 58.100 0.157 0.000 1.182 49 Y CB -0.597 37.950 38.460 0.145 0.000 0.979 49 Y HN 0.368 nan 8.280 nan 0.000 0.521 50 D N -0.593 119.923 120.400 0.193 0.000 2.178 50 D HA -0.112 4.528 4.640 -0.001 0.000 0.202 50 D C 2.000 178.343 176.300 0.072 0.000 0.974 50 D CA 1.210 55.276 54.000 0.110 0.000 0.841 50 D CB 0.070 40.908 40.800 0.064 0.000 0.953 50 D HN 0.257 nan 8.370 nan 0.000 0.478 51 R N -1.039 119.486 120.500 0.040 0.000 2.140 51 R HA 0.203 4.543 4.340 -0.001 0.000 0.213 51 R C 0.852 177.132 176.300 -0.034 0.000 1.059 51 R CA 0.013 56.112 56.100 -0.002 0.000 1.000 51 R CB 0.031 30.315 30.300 -0.026 0.000 0.910 51 R HN 0.194 nan 8.270 nan 0.000 0.455 52 M N 0.923 120.471 119.600 -0.086 0.000 2.249 52 M HA -0.059 4.421 4.480 -0.001 0.000 0.340 52 M C 1.209 177.452 176.300 -0.095 0.000 1.166 52 M CA 0.386 55.535 55.300 -0.251 0.000 1.115 52 M CB 1.199 33.343 32.600 -0.762 0.000 1.606 52 M HN 0.084 nan 8.290 nan 0.000 0.448 53 S N 1.261 116.894 115.700 -0.111 0.000 2.517 53 S HA 0.140 4.609 4.470 -0.001 0.000 0.214 53 S C 0.538 175.260 174.600 0.204 0.000 0.991 53 S CA -0.363 57.877 58.200 0.067 0.000 0.906 53 S CB -0.135 63.076 63.200 0.017 0.000 0.789 53 S HN 0.769 nan 8.310 nan 0.000 0.513 54 F N 1.033 120.911 119.950 -0.119 0.000 3.093 54 F HA -0.151 4.375 4.527 -0.001 0.000 0.287 54 F C 0.183 175.992 175.800 0.016 0.000 0.882 54 F CA 0.307 58.243 58.000 -0.107 0.000 1.063 54 F CB -1.890 37.023 39.000 -0.145 0.000 1.097 54 F HN 0.117 nan 8.300 nan 0.000 0.604 55 K N 1.015 121.494 120.400 0.132 0.000 2.350 55 K HA 0.183 4.503 4.320 -0.001 0.000 0.279 55 K C 0.274 176.986 176.600 0.187 0.000 1.027 55 K CA -0.226 56.143 56.287 0.138 0.000 0.969 55 K CB 0.686 33.229 32.500 0.071 0.000 0.954 55 K HN 0.083 nan 8.250 nan 0.000 0.474 56 D N 3.407 123.929 120.400 0.204 0.000 2.557 56 D HA 0.164 4.803 4.640 -0.001 0.000 0.236 56 D C -0.229 176.121 176.300 0.083 0.000 1.154 56 D CA -0.521 53.607 54.000 0.214 0.000 0.985 56 D CB -0.602 40.334 40.800 0.228 0.000 1.010 56 D HN 0.464 nan 8.370 nan 0.000 0.516 57 I N -1.465 119.143 120.570 0.063 0.000 2.566 57 I HA 0.467 4.637 4.170 -0.001 0.000 0.303 57 I C 0.201 176.313 176.117 -0.009 0.000 0.983 57 I CA -0.966 60.346 61.300 0.021 0.000 1.235 57 I CB 1.280 39.291 38.000 0.018 0.000 1.386 57 I HN -0.126 nan 8.210 nan 0.000 0.494 58 D N 4.223 124.616 120.400 -0.012 0.000 2.342 58 D HA 0.152 4.792 4.640 -0.001 0.000 0.260 58 D C 1.048 177.337 176.300 -0.017 0.000 1.278 58 D CA 0.097 54.084 54.000 -0.022 0.000 0.910 58 D CB 1.404 42.198 40.800 -0.011 0.000 1.079 58 D HN 0.829 nan 8.370 nan 0.000 0.496 59 G N 2.456 111.230 108.800 -0.044 0.000 2.920 59 G HA2 0.413 4.373 3.960 -0.001 0.000 0.208 59 G HA3 0.413 4.373 3.960 -0.001 0.000 0.208 59 G C 0.889 175.795 174.900 0.010 0.000 1.159 59 G CA 0.373 45.450 45.100 -0.038 0.000 0.784 59 G HN 0.917 nan 8.290 nan 0.000 0.535 60 G N -0.742 108.068 108.800 0.017 0.000 2.418 60 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.206 60 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.206 60 G C 1.115 176.041 174.900 0.044 0.000 1.202 60 G CA 0.572 45.694 45.100 0.037 0.000 1.061 60 G HN 1.089 nan 8.290 nan 0.000 0.563 61 V N -3.610 116.327 119.914 0.039 0.000 2.490 61 V HA 0.087 4.206 4.120 -0.001 0.000 0.250 61 V C 1.440 177.568 176.094 0.057 0.000 1.061 61 V CA 2.371 64.677 62.300 0.011 0.000 1.064 61 V CB -0.565 31.228 31.823 -0.050 0.000 0.670 61 V HN 1.421 nan 8.190 nan 0.000 0.461 62 W N 2.656 123.868 121.300 -0.146 0.000 2.430 62 W HA 0.419 5.079 4.660 -0.001 0.000 0.380 62 W C 1.150 177.638 176.519 -0.051 0.000 1.045 62 W CA -1.695 55.560 57.345 -0.151 0.000 1.547 62 W CB 0.209 29.543 29.460 -0.210 0.000 1.554 62 W HN 0.042 nan 8.180 nan 0.000 0.378 63 K N 2.685 123.181 120.400 0.159 0.000 2.209 63 K HA -0.155 4.164 4.320 -0.001 0.000 0.204 63 K C 0.876 177.404 176.600 -0.121 0.000 1.048 63 K CA 1.359 57.645 56.287 -0.002 0.000 0.940 63 K CB 0.188 32.681 32.500 -0.011 0.000 0.729 63 K HN 0.569 nan 8.250 nan 0.000 0.451 64 Q N -0.745 118.941 119.800 -0.190 0.000 2.198 64 Q HA 0.145 4.484 4.340 -0.001 0.000 0.209 64 Q C 0.805 176.443 176.000 -0.604 0.000 0.848 64 Q CA -0.329 55.341 55.803 -0.221 0.000 0.974 64 Q CB 1.282 30.028 28.738 0.015 0.000 1.115 64 Q HN 0.210 nan 8.270 nan 0.000 0.494 65 G N 0.615 108.640 108.800 -1.291 0.000 3.407 65 G HA2 0.519 4.478 3.960 -0.001 0.000 0.187 65 G HA3 0.519 4.478 3.960 -0.001 0.000 0.187 65 G C -1.403 173.202 174.900 -0.491 0.000 1.262 65 G CA -0.304 43.715 45.100 -1.800 0.000 0.808 65 G HN 0.355 nan 8.290 nan 0.000 0.687 66 W N -1.478 119.545 121.300 -0.462 0.000 2.959 66 W HA 0.630 5.289 4.660 -0.000 0.000 0.358 66 W C -1.537 175.076 176.519 0.156 0.000 1.228 66 W CA -1.158 56.138 57.345 -0.082 0.000 1.183 66 W CB 0.669 30.093 29.460 -0.060 0.000 1.467 66 W HN 0.190 nan 8.180 nan 0.000 0.578 67 N N 2.170 121.030 118.700 0.267 0.000 2.402 67 N HA 0.223 4.962 4.740 -0.001 0.000 0.259 67 N C -0.279 175.362 175.510 0.219 0.000 1.167 67 N CA 0.019 53.172 53.050 0.172 0.000 0.949 67 N CB 0.244 38.834 38.487 0.171 0.000 1.212 67 N HN 0.412 nan 8.380 nan 0.000 0.493 68 I N 2.014 122.609 120.570 0.042 0.000 2.588 68 I HA 0.016 4.185 4.170 -0.001 0.000 0.283 68 I C 0.817 177.089 176.117 0.258 0.000 1.119 68 I CA 0.276 61.679 61.300 0.173 0.000 1.419 68 I CB 0.519 38.562 38.000 0.071 0.000 1.394 68 I HN 0.119 nan 8.210 nan 0.000 0.562 69 K N 6.025 126.616 120.400 0.318 0.000 2.259 69 K HA 0.591 4.911 4.320 -0.001 0.000 0.249 69 K C -1.356 175.401 176.600 0.262 0.000 0.942 69 K CA -0.687 55.714 56.287 0.191 0.000 0.816 69 K CB 2.228 34.811 32.500 0.139 0.000 1.155 69 K HN 0.476 nan 8.250 nan 0.000 0.428 70 Y N -1.900 118.488 120.300 0.147 0.000 2.581 70 Y HA 0.433 4.982 4.550 -0.001 0.000 0.345 70 Y C -1.041 174.926 175.900 0.112 0.000 1.036 70 Y CA -1.585 56.601 58.100 0.144 0.000 1.042 70 Y CB 1.137 39.706 38.460 0.181 0.000 1.289 70 Y HN 0.395 nan 8.280 nan 0.000 0.471 71 D N 2.822 123.357 120.400 0.225 0.000 2.316 71 D HA 0.339 4.978 4.640 -0.001 0.000 0.245 71 D C -1.969 174.479 176.300 0.248 0.000 1.171 71 D CA -2.647 51.428 54.000 0.125 0.000 0.856 71 D CB 1.739 42.589 40.800 0.082 0.000 1.090 71 D HN 0.362 nan 8.370 nan 0.000 0.476 72 P HA -0.064 nan 4.420 nan 0.000 0.219 72 P C 1.175 178.613 177.300 0.229 0.000 1.146 72 P CA 0.851 64.144 63.100 0.322 0.000 0.808 72 P CB 0.183 32.005 31.700 0.204 0.000 0.779 73 L N -0.841 120.460 121.223 0.131 0.000 2.599 73 L HA 0.053 4.392 4.340 -0.001 0.000 0.230 73 L C 2.308 179.204 176.870 0.043 0.000 1.141 73 L CA 0.484 55.379 54.840 0.090 0.000 0.877 73 L CB -0.642 41.452 42.059 0.058 0.000 1.009 73 L HN 0.001 nan 8.230 nan 0.000 0.447 74 K N 0.687 121.076 120.400 -0.018 0.000 2.097 74 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 74 K C -0.085 176.335 176.600 -0.301 0.000 1.049 74 K CA 1.089 57.234 56.287 -0.236 0.000 0.933 74 K CB 0.103 32.333 32.500 -0.451 0.000 0.717 74 K HN 0.115 nan 8.250 nan 0.000 0.442 75 Y N 0.799 121.217 120.300 0.197 0.000 2.361 75 Y HA 0.280 4.830 4.550 -0.000 0.000 0.332 75 Y C 0.082 176.057 175.900 0.125 0.000 1.101 75 Y CA -1.140 57.066 58.100 0.177 0.000 1.137 75 Y CB 1.283 39.799 38.460 0.094 0.000 1.207 75 Y HN 0.250 nan 8.280 nan 0.000 0.463 76 N N -0.615 118.232 118.700 0.246 0.000 3.364 76 N HA 0.521 5.260 4.740 -0.001 0.000 0.294 76 N C -0.010 175.502 175.510 0.005 0.000 1.562 76 N CA -0.442 52.669 53.050 0.103 0.000 0.862 76 N CB 0.387 38.920 38.487 0.077 0.000 1.691 76 N HN 0.499 nan 8.380 nan 0.000 0.572 77 A N -1.337 121.372 122.820 -0.184 0.000 2.019 77 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 77 A C 0.871 178.282 177.584 -0.288 0.000 1.164 77 A CA 1.273 53.129 52.037 -0.302 0.000 0.644 77 A CB -1.028 17.692 19.000 -0.465 0.000 0.805 77 A HN 0.681 nan 8.150 nan 0.000 0.449 78 H N -2.682 116.447 119.070 0.099 0.000 2.551 78 H HA 0.167 4.723 4.556 -0.001 0.000 0.271 78 H C -0.379 175.059 175.328 0.184 0.000 0.984 78 H CA 0.720 56.832 56.048 0.106 0.000 1.164 78 H CB 0.054 29.867 29.762 0.086 0.000 1.437 78 H HN 0.721 nan 8.280 nan 0.000 0.550 79 H N 0.390 119.534 119.070 0.123 0.000 2.809 79 H HA 0.284 4.840 4.556 -0.000 0.000 0.268 79 H C -0.766 174.674 175.328 0.186 0.000 1.403 79 H CA -0.442 55.692 56.048 0.142 0.000 1.564 79 H CB 0.239 30.083 29.762 0.136 0.000 1.834 79 H HN -0.049 nan 8.280 nan 0.000 0.613 80 K N 1.967 122.308 120.400 -0.098 0.000 2.090 80 K HA 0.338 4.658 4.320 -0.001 0.000 0.249 80 K C -0.698 175.748 176.600 -0.257 0.000 0.995 80 K CA -1.253 54.969 56.287 -0.108 0.000 0.914 80 K CB 1.614 34.045 32.500 -0.115 0.000 1.057 80 K HN 0.225 nan 8.250 nan 0.000 0.462 81 L N 2.105 123.092 121.223 -0.393 0.000 2.265 81 L HA 0.197 4.537 4.340 -0.001 0.000 0.288 81 L C -1.026 175.606 176.870 -0.398 0.000 1.058 81 L CA 0.158 54.674 54.840 -0.540 0.000 0.809 81 L CB 0.343 41.855 42.059 -0.911 0.000 1.179 81 L HN 0.382 nan 8.230 nan 0.000 0.429 82 K N 4.517 124.700 120.400 -0.361 0.000 2.234 82 K HA 0.574 4.893 4.320 -0.001 0.000 0.277 82 K C -1.171 175.092 176.600 -0.562 0.000 1.038 82 K CA -0.552 55.463 56.287 -0.454 0.000 0.888 82 K CB 1.713 33.989 32.500 -0.372 0.000 1.091 82 K HN 0.394 nan 8.250 nan 0.000 0.467 83 V N 4.615 124.079 119.914 -0.751 0.000 2.409 83 V HA 0.385 4.504 4.120 -0.001 0.000 0.291 83 V C -0.987 174.567 176.094 -0.899 0.000 1.020 83 V CA -0.795 61.016 62.300 -0.816 0.000 0.848 83 V CB 0.641 31.799 31.823 -1.109 0.000 0.990 83 V HN 0.555 nan 8.190 nan 0.000 0.430 84 F N 3.747 123.438 119.950 -0.431 0.000 2.361 84 F HA 0.504 5.031 4.527 -0.001 0.000 0.364 84 F C 0.186 175.794 175.800 -0.319 0.000 1.117 84 F CA -0.701 57.102 58.000 -0.329 0.000 1.071 84 F CB 1.790 40.668 39.000 -0.204 0.000 1.188 84 F HN 0.181 nan 8.300 nan 0.000 0.464 85 V N 5.135 125.002 119.914 -0.078 0.000 2.385 85 V HA 0.300 4.419 4.120 -0.001 0.000 0.269 85 V C -0.208 175.983 176.094 0.163 0.000 1.043 85 V CA -0.600 61.723 62.300 0.038 0.000 0.906 85 V CB 1.249 33.167 31.823 0.159 0.000 0.995 85 V HN 0.431 nan 8.190 nan 0.000 0.467 86 V N 8.403 128.361 119.914 0.073 0.000 2.304 86 V HA 0.316 4.436 4.120 -0.001 0.000 0.278 86 V C -2.376 173.751 176.094 0.055 0.000 1.018 86 V CA -1.914 60.395 62.300 0.014 0.000 0.814 86 V CB 1.485 33.220 31.823 -0.146 0.000 1.021 86 V HN 0.725 nan 8.190 nan 0.000 0.440 87 P HA 0.332 nan 4.420 nan 0.000 0.271 87 P C -0.866 176.418 177.300 -0.026 0.000 1.216 87 P CA 0.250 63.319 63.100 -0.052 0.000 0.776 87 P CB 0.380 31.851 31.700 -0.381 0.000 0.881 88 H N -1.190 117.865 119.070 -0.025 0.000 2.990 88 H HA 0.793 5.349 4.556 -0.001 0.000 0.336 88 H C -1.495 173.935 175.328 0.169 0.000 1.306 88 H CA -1.121 54.815 56.048 -0.186 0.000 1.118 88 H CB 0.961 30.557 29.762 -0.276 0.000 1.856 88 H HN 0.196 nan 8.280 nan 0.000 0.538 89 S N 0.617 116.325 115.700 0.013 0.000 2.750 89 S HA 0.205 4.675 4.470 -0.001 0.000 0.276 89 S C -1.843 172.682 174.600 -0.126 0.000 1.165 89 S CA -0.663 57.593 58.200 0.093 0.000 1.047 89 S CB 0.125 63.570 63.200 0.409 0.000 1.056 89 S HN 0.850 nan 8.310 nan 0.000 0.481 90 H N 4.461 123.432 119.070 -0.164 0.000 2.864 90 H HA 0.431 4.986 4.556 -0.001 0.000 0.281 90 H C -0.114 174.824 175.328 -0.650 0.000 1.093 90 H CA 0.265 56.130 56.048 -0.304 0.000 1.453 90 H CB 0.259 29.894 29.762 -0.211 0.000 1.462 90 H HN 0.551 nan 8.280 nan 0.000 0.480 91 N N 5.380 123.417 118.700 -1.106 0.000 2.476 91 N HA 0.062 4.801 4.740 -0.001 0.000 0.257 91 N C -1.183 173.847 175.510 -0.800 0.000 0.970 91 N CA -0.641 51.626 53.050 -1.305 0.000 0.938 91 N CB 1.144 39.169 38.487 -0.770 0.000 1.144 91 N HN 0.660 nan 8.380 nan 0.000 0.500 92 D N 2.821 122.794 120.400 -0.711 0.000 2.343 92 D HA 0.128 4.767 4.640 -0.001 0.000 0.255 92 D C -2.073 174.299 176.300 0.120 0.000 1.187 92 D CA -1.033 52.845 54.000 -0.204 0.000 0.875 92 D CB 1.474 42.414 40.800 0.234 0.000 1.136 92 D HN 0.200 nan 8.370 nan 0.000 0.469 93 P HA 0.204 nan 4.420 nan 0.000 0.230 93 P C -0.003 177.495 177.300 0.330 0.000 1.791 93 P CA -0.069 63.061 63.100 0.051 0.000 1.020 93 P CB 0.196 31.780 31.700 -0.193 0.000 1.977 94 G N 0.469 109.646 108.800 0.629 0.000 3.067 94 G HA2 0.006 3.965 3.960 -0.001 0.000 0.686 94 G HA3 0.006 3.965 3.960 -0.001 0.000 0.686 94 G C -1.064 174.369 174.900 0.888 0.000 1.119 94 G CA -0.609 44.876 45.100 0.641 0.000 0.790 94 G HN 0.361 nan 8.290 nan 0.000 0.605 95 W N 2.030 123.671 121.300 0.568 0.000 4.511 95 W HA 0.223 4.882 4.660 -0.001 0.000 0.159 95 W C 1.673 178.373 176.519 0.302 0.000 3.471 95 W CA 1.271 58.923 57.345 0.512 0.000 1.173 95 W CB -0.844 29.002 29.460 0.643 0.000 2.090 95 W HN 0.958 nan 8.180 nan 0.000 0.393 96 I N 0.765 121.342 120.570 0.012 0.000 3.860 96 I HA 0.298 4.467 4.170 -0.001 0.000 0.319 96 I C 0.342 176.322 176.117 -0.228 0.000 1.279 96 I CA 0.452 61.573 61.300 -0.298 0.000 1.220 96 I CB -0.019 37.674 38.000 -0.512 0.000 1.027 96 I HN -0.157 nan 8.210 nan 0.000 0.428 97 Q N 2.076 121.587 119.800 -0.482 0.000 2.416 97 Q HA 0.385 4.724 4.340 -0.001 0.000 0.279 97 Q C -0.166 175.572 176.000 -0.437 0.000 1.101 97 Q CA -0.368 55.064 55.803 -0.619 0.000 0.830 97 Q CB 2.275 30.281 28.738 -1.220 0.000 1.402 97 Q HN 0.345 nan 8.270 nan 0.000 0.445 98 T N -2.302 112.116 114.554 -0.226 0.000 2.766 98 T HA 0.157 4.507 4.350 -0.001 0.000 0.295 98 T C 1.104 175.903 174.700 0.165 0.000 1.024 98 T CA -0.462 61.596 62.100 -0.070 0.000 1.018 98 T CB 0.273 69.136 68.868 -0.008 0.000 1.002 98 T HN 0.519 nan 8.240 nan 0.000 0.532 99 F N 1.230 121.266 119.950 0.144 0.000 2.063 99 F HA -0.180 4.347 4.527 -0.001 0.000 0.298 99 F C 2.462 178.487 175.800 0.375 0.000 1.109 99 F CA 2.465 60.633 58.000 0.281 0.000 1.212 99 F CB -0.331 38.716 39.000 0.079 0.000 0.973 99 F HN 0.788 nan 8.300 nan 0.000 0.480 100 E N 0.296 120.739 120.200 0.405 0.000 2.107 100 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 100 E C 2.003 178.759 176.600 0.259 0.000 0.982 100 E CA 1.618 58.224 56.400 0.343 0.000 0.809 100 E CB -0.281 29.608 29.700 0.315 0.000 0.756 100 E HN 0.611 nan 8.360 nan 0.000 0.459 101 E N -0.935 119.365 120.200 0.167 0.000 2.051 101 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 101 E C 1.801 178.469 176.600 0.113 0.000 0.991 101 E CA 1.204 57.656 56.400 0.087 0.000 0.799 101 E CB -0.255 29.425 29.700 -0.032 0.000 0.748 101 E HN 0.338 nan 8.360 nan 0.000 0.449 102 Y N -0.512 119.847 120.300 0.098 0.000 2.224 102 Y HA -0.250 4.299 4.550 -0.001 0.000 0.289 102 Y C 2.197 178.110 175.900 0.022 0.000 1.146 102 Y CA 1.184 59.289 58.100 0.009 0.000 1.182 102 Y CB -0.732 37.791 38.460 0.105 0.000 0.983 102 Y HN 0.193 nan 8.280 nan 0.000 0.524 103 Y N 0.822 121.207 120.300 0.142 0.000 2.145 103 Y HA -0.275 4.274 4.550 -0.001 0.000 0.286 103 Y C 2.282 178.211 175.900 0.048 0.000 1.145 103 Y CA 1.874 59.991 58.100 0.028 0.000 1.148 103 Y CB -0.349 38.115 38.460 0.006 0.000 0.981 103 Y HN 0.046 nan 8.280 nan 0.000 0.507 104 Q N -0.973 118.848 119.800 0.034 0.000 2.119 104 Q HA -0.204 4.135 4.340 -0.001 0.000 0.201 104 Q C 2.262 178.278 176.000 0.026 0.000 0.972 104 Q CA 1.751 57.531 55.803 -0.038 0.000 0.847 104 Q CB -0.636 28.178 28.738 0.127 0.000 0.903 104 Q HN 0.665 nan 8.270 nan 0.000 0.433 105 H N -0.319 118.769 119.070 0.030 0.000 2.465 105 H HA 0.010 4.566 4.556 -0.001 0.000 0.289 105 H C 0.499 175.931 175.328 0.174 0.000 1.022 105 H CA 0.950 57.053 56.048 0.091 0.000 1.340 105 H CB 0.926 30.704 29.762 0.027 0.000 1.437 105 H HN 0.197 nan 8.280 nan 0.000 0.539 106 D N -1.407 119.090 120.400 0.163 0.000 3.165 106 D HA 0.015 4.654 4.640 -0.001 0.000 0.264 106 D C 1.729 178.082 176.300 0.088 0.000 1.363 106 D CA 0.408 54.495 54.000 0.145 0.000 1.166 106 D CB 0.163 40.978 40.800 0.025 0.000 1.291 106 D HN 0.140 nan 8.370 nan 0.000 0.390 107 T N 2.449 116.986 114.554 -0.028 0.000 2.821 107 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 107 T C 1.910 176.444 174.700 -0.275 0.000 1.046 107 T CA 1.345 63.389 62.100 -0.094 0.000 1.139 107 T CB -0.052 68.606 68.868 -0.350 0.000 0.871 107 T HN 0.245 nan 8.240 nan 0.000 0.454 108 K N 0.722 120.766 120.400 -0.593 0.000 2.211 108 K HA -0.124 4.195 4.320 -0.001 0.000 0.203 108 K C 1.899 178.231 176.600 -0.445 0.000 1.050 108 K CA 1.294 57.212 56.287 -0.615 0.000 0.945 108 K CB -0.344 31.578 32.500 -0.963 0.000 0.732 108 K HN 0.392 nan 8.250 nan 0.000 0.451 109 H N 1.091 120.067 119.070 -0.156 0.000 2.363 109 H HA 0.052 4.607 4.556 -0.001 0.000 0.301 109 H C 2.282 177.595 175.328 -0.025 0.000 1.074 109 H CA 1.403 57.412 56.048 -0.065 0.000 1.354 109 H CB -0.148 29.583 29.762 -0.051 0.000 1.397 109 H HN 0.178 nan 8.280 nan 0.000 0.516 110 I N 0.773 121.413 120.570 0.117 0.000 2.163 110 I HA -0.276 3.894 4.170 -0.001 0.000 0.243 110 I C 2.451 178.575 176.117 0.012 0.000 1.085 110 I CA 1.137 62.555 61.300 0.198 0.000 1.347 110 I CB -0.260 37.931 38.000 0.320 0.000 1.044 110 I HN 0.095 nan 8.210 nan 0.000 0.408 111 L N -0.472 120.533 121.223 -0.364 0.000 2.109 111 L HA -0.151 4.188 4.340 -0.001 0.000 0.207 111 L C 2.677 179.182 176.870 -0.608 0.000 1.086 111 L CA 0.908 55.284 54.840 -0.774 0.000 0.760 111 L CB -0.469 40.545 42.059 -1.741 0.000 0.910 111 L HN 0.163 nan 8.230 nan 0.000 0.437 112 S N 0.140 115.617 115.700 -0.372 0.000 2.359 112 S HA -0.156 4.314 4.470 -0.001 0.000 0.224 112 S C 1.719 176.278 174.600 -0.069 0.000 1.035 112 S CA 1.458 59.672 58.200 0.023 0.000 1.018 112 S CB -0.251 63.015 63.200 0.110 0.000 0.876 112 S HN 0.455 nan 8.310 nan 0.000 0.448 113 N N 1.376 120.024 118.700 -0.086 0.000 2.354 113 N HA 0.135 4.875 4.740 -0.001 0.000 0.179 113 N C 1.702 176.841 175.510 -0.619 0.000 1.021 113 N CA 0.936 53.857 53.050 -0.216 0.000 0.887 113 N CB -0.496 37.982 38.487 -0.014 0.000 0.974 113 N HN 0.384 nan 8.380 nan 0.000 0.437 114 A N 1.092 123.618 122.820 -0.489 0.000 1.902 114 A HA -0.092 4.227 4.320 -0.001 0.000 0.217 114 A C 2.182 179.461 177.584 -0.509 0.000 1.181 114 A CA 0.912 52.476 52.037 -0.788 0.000 0.623 114 A CB -0.661 18.173 19.000 -0.277 0.000 0.818 114 A HN 0.228 nan 8.150 nan 0.000 0.443 115 L N 0.225 121.303 121.223 -0.243 0.000 2.017 115 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 115 L C 2.474 179.264 176.870 -0.133 0.000 1.073 115 L CA 2.611 57.393 54.840 -0.098 0.000 0.745 115 L CB -0.672 41.402 42.059 0.024 0.000 0.894 115 L HN 0.515 nan 8.230 nan 0.000 0.432 116 R N -1.799 118.589 120.500 -0.186 0.000 2.066 116 R HA -0.238 4.102 4.340 -0.001 0.000 0.232 116 R C 2.403 178.594 176.300 -0.182 0.000 1.131 116 R CA 1.878 57.888 56.100 -0.150 0.000 0.955 116 R CB -0.574 29.645 30.300 -0.135 0.000 0.851 116 R HN 0.554 nan 8.270 nan 0.000 0.432 117 H N 0.117 118.882 119.070 -0.508 0.000 2.389 117 H HA 0.035 4.591 4.556 -0.001 0.000 0.299 117 H C 2.014 177.119 175.328 -0.372 0.000 1.081 117 H CA 1.834 57.568 56.048 -0.523 0.000 1.345 117 H CB 0.054 29.205 29.762 -1.019 0.000 1.393 117 H HN 0.147 nan 8.280 nan 0.000 0.520 118 L N -0.693 120.343 121.223 -0.312 0.000 2.072 118 L HA -0.187 4.152 4.340 -0.001 0.000 0.205 118 L C 2.566 179.384 176.870 -0.087 0.000 1.079 118 L CA 1.350 56.094 54.840 -0.160 0.000 0.752 118 L CB -0.623 41.363 42.059 -0.121 0.000 0.906 118 L HN 0.505 nan 8.230 nan 0.000 0.436 119 H N 0.543 119.525 119.070 -0.148 0.000 2.353 119 H HA -0.215 4.341 4.556 -0.001 0.000 0.298 119 H C 1.236 176.497 175.328 -0.111 0.000 1.103 119 H CA 2.106 58.094 56.048 -0.099 0.000 1.293 119 H CB 0.242 29.952 29.762 -0.086 0.000 1.372 119 H HN 0.325 nan 8.280 nan 0.000 0.501 120 D N 0.208 120.540 120.400 -0.113 0.000 2.347 120 D HA 0.012 4.651 4.640 -0.001 0.000 0.213 120 D C -0.046 176.132 176.300 -0.203 0.000 0.985 120 D CA 0.436 54.336 54.000 -0.167 0.000 0.879 120 D CB 0.051 40.761 40.800 -0.150 0.000 0.919 120 D HN 0.320 nan 8.370 nan 0.000 0.526 121 N N 0.649 119.228 118.700 -0.202 0.000 2.762 121 N HA 0.142 4.882 4.740 -0.001 0.000 0.252 121 N C -2.218 173.257 175.510 -0.059 0.000 1.269 121 N CA -1.040 51.931 53.050 -0.131 0.000 0.799 121 N CB 2.345 40.739 38.487 -0.155 0.000 1.173 121 N HN -0.123 nan 8.380 nan 0.000 0.516 122 P HA -0.087 nan 4.420 nan 0.000 0.221 122 P C 0.927 178.246 177.300 0.031 0.000 1.145 122 P CA 1.187 64.271 63.100 -0.027 0.000 0.795 122 P CB 0.547 32.228 31.700 -0.033 0.000 0.775 123 E N -1.643 118.606 120.200 0.081 0.000 2.478 123 E HA 0.058 4.407 4.350 -0.001 0.000 0.194 123 E C 0.819 177.555 176.600 0.227 0.000 1.045 123 E CA 0.053 56.549 56.400 0.161 0.000 0.868 123 E CB -0.337 29.489 29.700 0.212 0.000 0.885 123 E HN 0.256 nan 8.360 nan 0.000 0.505 124 M N 1.535 121.205 119.600 0.116 0.000 2.243 124 M HA 0.099 4.578 4.480 -0.001 0.000 0.341 124 M C -0.301 175.989 176.300 -0.015 0.000 1.130 124 M CA 0.242 55.514 55.300 -0.046 0.000 1.162 124 M CB 0.489 33.069 32.600 -0.033 0.000 1.497 124 M HN -0.363 nan 8.290 nan 0.000 0.456 125 K N 2.995 123.352 120.400 -0.071 0.000 2.444 125 K HA 0.659 4.978 4.320 -0.001 0.000 0.252 125 K C -1.746 174.898 176.600 0.072 0.000 0.993 125 K CA -0.485 55.816 56.287 0.023 0.000 0.847 125 K CB 2.155 34.691 32.500 0.060 0.000 1.340 125 K HN 0.675 nan 8.250 nan 0.000 0.446 126 F N 1.404 121.272 119.950 -0.138 0.000 2.654 126 F HA 0.421 4.947 4.527 -0.001 0.000 0.314 126 F C -1.469 174.226 175.800 -0.175 0.000 1.116 126 F CA -1.242 56.662 58.000 -0.159 0.000 1.017 126 F CB 0.968 39.958 39.000 -0.018 0.000 1.285 126 F HN 0.450 nan 8.300 nan 0.000 0.448 127 I N 1.857 122.069 120.570 -0.596 0.000 2.648 127 I HA 0.614 4.783 4.170 -0.001 0.000 0.304 127 I C -1.698 173.986 176.117 -0.722 0.000 1.009 127 I CA -0.618 60.309 61.300 -0.623 0.000 1.114 127 I CB 2.526 40.099 38.000 -0.712 0.000 1.293 127 I HN 0.699 nan 8.210 nan 0.000 0.449 128 W N 4.434 125.341 121.300 -0.655 0.000 2.957 128 W HA 0.628 5.288 4.660 -0.001 0.000 0.336 128 W C -0.736 175.703 176.519 -0.133 0.000 1.087 128 W CA -0.563 56.533 57.345 -0.415 0.000 1.235 128 W CB 2.669 31.942 29.460 -0.313 0.000 1.399 128 W HN 0.787 nan 8.180 nan 0.000 0.480 129 A N 3.440 125.900 122.820 -0.600 0.000 2.013 129 A HA 0.162 4.482 4.320 -0.001 0.000 0.204 129 A C -0.039 177.503 177.584 -0.070 0.000 1.262 129 A CA 0.510 52.435 52.037 -0.187 0.000 0.800 129 A CB 0.050 18.989 19.000 -0.101 0.000 0.909 129 A HN 0.504 nan 8.150 nan 0.000 0.472 130 E N 0.899 120.944 120.200 -0.258 0.000 2.014 130 E HA 0.326 4.675 4.350 -0.001 0.000 0.275 130 E C 0.407 177.177 176.600 0.283 0.000 0.997 130 E CA -0.285 56.134 56.400 0.032 0.000 0.804 130 E CB 0.840 30.546 29.700 0.010 0.000 1.090 130 E HN 0.261 nan 8.360 nan 0.000 0.401 131 I N 1.511 122.140 120.570 0.098 0.000 2.761 131 I HA -0.182 3.988 4.170 -0.001 0.000 0.261 131 I C 1.967 177.738 176.117 -0.577 0.000 1.198 131 I CA 0.870 62.156 61.300 -0.024 0.000 1.482 131 I CB -1.302 36.735 38.000 0.062 0.000 1.100 131 I HN 0.417 nan 8.210 nan 0.000 0.445 132 S N 1.128 116.162 115.700 -1.110 0.000 2.365 132 S HA -0.267 4.203 4.470 -0.001 0.000 0.225 132 S C 2.132 176.436 174.600 -0.494 0.000 1.039 132 S CA 1.320 58.487 58.200 -1.723 0.000 1.033 132 S CB -0.984 61.240 63.200 -1.626 0.000 0.887 132 S HN 0.366 nan 8.310 nan 0.000 0.447 133 Y N 0.542 120.873 120.300 0.052 0.000 2.220 133 Y HA 0.153 4.702 4.550 -0.001 0.000 0.291 133 Y C 2.219 178.185 175.900 0.110 0.000 1.129 133 Y CA 0.359 58.588 58.100 0.216 0.000 1.161 133 Y CB -0.940 37.745 38.460 0.376 0.000 0.997 133 Y HN 0.333 nan 8.280 nan 0.000 0.522 134 F N 0.031 120.069 119.950 0.147 0.000 2.134 134 F HA -0.173 4.354 4.527 -0.001 0.000 0.299 134 F C 2.346 177.973 175.800 -0.288 0.000 1.097 134 F CA 1.292 59.247 58.000 -0.075 0.000 1.264 134 F CB -0.447 38.502 39.000 -0.085 0.000 1.001 134 F HN -0.016 nan 8.300 nan 0.000 0.479 135 A N 0.180 122.640 122.820 -0.600 0.000 1.902 135 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 135 A C 2.138 179.594 177.584 -0.213 0.000 1.181 135 A CA 1.760 53.235 52.037 -0.936 0.000 0.623 135 A CB -0.752 17.539 19.000 -1.182 0.000 0.818 135 A HN 0.385 nan 8.150 nan 0.000 0.443 136 R N -0.865 119.562 120.500 -0.121 0.000 2.091 136 R HA -0.158 4.181 4.340 -0.001 0.000 0.238 136 R C 1.750 178.010 176.300 -0.066 0.000 1.136 136 R CA 2.160 58.210 56.100 -0.083 0.000 0.959 136 R CB -0.954 29.246 30.300 -0.166 0.000 0.856 136 R HN 0.491 nan 8.270 nan 0.000 0.437 137 F N -0.221 119.649 119.950 -0.134 0.000 2.113 137 F HA -0.120 4.407 4.527 -0.001 0.000 0.297 137 F C 2.010 177.733 175.800 -0.129 0.000 1.103 137 F CA 1.688 59.668 58.000 -0.033 0.000 1.248 137 F CB -0.857 38.053 39.000 -0.149 0.000 0.999 137 F HN 0.149 nan 8.300 nan 0.000 0.475 138 Y N 0.251 120.332 120.300 -0.365 0.000 2.128 138 Y HA -0.308 4.242 4.550 -0.001 0.000 0.284 138 Y C 2.754 178.474 175.900 -0.300 0.000 1.154 138 Y CA 2.385 60.262 58.100 -0.372 0.000 1.149 138 Y CB -0.807 37.576 38.460 -0.128 0.000 0.976 138 Y HN 0.114 nan 8.280 nan 0.000 0.505 139 H N -0.450 118.627 119.070 0.013 0.000 2.491 139 H HA -0.096 4.460 4.556 -0.001 0.000 0.290 139 H C 1.198 176.415 175.328 -0.186 0.000 1.050 139 H CA 1.580 57.586 56.048 -0.070 0.000 1.309 139 H CB -0.193 29.596 29.762 0.045 0.000 1.392 139 H HN 0.471 nan 8.280 nan 0.000 0.554 140 D N 0.043 120.367 120.400 -0.126 0.000 2.355 140 D HA 0.050 4.690 4.640 -0.001 0.000 0.218 140 D C 0.586 176.713 176.300 -0.288 0.000 1.004 140 D CA 0.065 53.968 54.000 -0.162 0.000 0.880 140 D CB 0.179 40.918 40.800 -0.103 0.000 0.911 140 D HN 0.196 nan 8.370 nan 0.000 0.528 141 L N 0.586 121.534 121.223 -0.458 0.000 2.426 141 L HA 0.283 4.622 4.340 -0.001 0.000 0.271 141 L C 1.416 178.105 176.870 -0.301 0.000 1.169 141 L CA -0.544 54.024 54.840 -0.453 0.000 0.836 141 L CB 0.778 42.505 42.059 -0.553 0.000 1.112 141 L HN -0.022 nan 8.230 nan 0.000 0.465 142 G N 0.872 109.541 108.800 -0.219 0.000 2.636 142 G HA2 0.026 3.986 3.960 -0.001 0.000 0.246 142 G HA3 0.026 3.986 3.960 -0.001 0.000 0.246 142 G C 0.653 175.462 174.900 -0.152 0.000 1.216 142 G CA -0.296 44.713 45.100 -0.151 0.000 0.854 142 G HN 0.806 nan 8.290 nan 0.000 0.572 143 E N 0.248 120.386 120.200 -0.103 0.000 2.118 143 E HA -0.211 4.139 4.350 -0.001 0.000 0.195 143 E C 2.211 178.775 176.600 -0.060 0.000 0.992 143 E CA 1.583 57.936 56.400 -0.078 0.000 0.804 143 E CB -0.131 29.547 29.700 -0.036 0.000 0.741 143 E HN 0.593 nan 8.360 nan 0.000 0.458 144 N N 0.274 118.940 118.700 -0.057 0.000 2.069 144 N HA -0.205 4.535 4.740 -0.001 0.000 0.191 144 N C 1.416 176.893 175.510 -0.055 0.000 1.031 144 N CA 1.415 54.437 53.050 -0.046 0.000 0.852 144 N CB -0.013 38.443 38.487 -0.051 0.000 1.018 144 N HN 0.046 nan 8.380 nan 0.000 0.423 145 K N 1.115 121.464 120.400 -0.086 0.000 2.155 145 K HA -0.016 4.303 4.320 -0.001 0.000 0.203 145 K C 2.041 178.609 176.600 -0.053 0.000 1.052 145 K CA 0.606 56.842 56.287 -0.084 0.000 0.948 145 K CB -0.147 32.281 32.500 -0.120 0.000 0.728 145 K HN 0.348 nan 8.250 nan 0.000 0.448 146 K N 0.863 121.197 120.400 -0.110 0.000 2.032 146 K HA -0.079 4.241 4.320 -0.001 0.000 0.209 146 K C 2.269 178.937 176.600 0.113 0.000 1.048 146 K CA 1.104 57.353 56.287 -0.063 0.000 0.927 146 K CB -0.225 32.146 32.500 -0.215 0.000 0.712 146 K HN 0.040 nan 8.250 nan 0.000 0.441 147 L N 1.173 122.435 121.223 0.064 0.000 2.046 147 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 147 L C 2.575 179.507 176.870 0.103 0.000 1.077 147 L CA 1.323 56.218 54.840 0.092 0.000 0.747 147 L CB -0.412 41.680 42.059 0.054 0.000 0.896 147 L HN 0.282 nan 8.230 nan 0.000 0.432 148 Q N -0.906 118.936 119.800 0.070 0.000 2.124 148 Q HA -0.271 4.069 4.340 -0.001 0.000 0.202 148 Q C 2.188 178.272 176.000 0.141 0.000 0.977 148 Q CA 1.722 57.575 55.803 0.084 0.000 0.850 148 Q CB -0.210 28.515 28.738 -0.021 0.000 0.901 148 Q HN 0.381 nan 8.270 nan 0.000 0.429 149 M N 1.168 120.874 119.600 0.177 0.000 2.132 149 M HA -0.135 4.344 4.480 -0.001 0.000 0.263 149 M C 1.624 178.100 176.300 0.294 0.000 1.065 149 M CA 1.734 57.200 55.300 0.278 0.000 1.122 149 M CB 0.050 32.891 32.600 0.403 0.000 1.365 149 M HN -0.104 nan 8.290 nan 0.000 0.411 150 K N -0.957 119.613 120.400 0.284 0.000 2.103 150 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 150 K C 2.281 178.981 176.600 0.166 0.000 1.048 150 K CA 1.595 58.024 56.287 0.238 0.000 0.930 150 K CB -0.431 32.194 32.500 0.208 0.000 0.716 150 K HN 0.417 nan 8.250 nan 0.000 0.444 151 S N 1.498 117.285 115.700 0.145 0.000 2.368 151 S HA -0.087 4.383 4.470 -0.001 0.000 0.224 151 S C 1.945 176.603 174.600 0.096 0.000 1.029 151 S CA 1.062 59.327 58.200 0.108 0.000 0.988 151 S CB -0.233 63.031 63.200 0.106 0.000 0.838 151 S HN 0.389 nan 8.310 nan 0.000 0.462 152 I N -0.744 119.894 120.570 0.113 0.000 2.830 152 I HA 0.047 4.216 4.170 -0.001 0.000 0.263 152 I C 1.814 177.967 176.117 0.060 0.000 1.230 152 I CA 0.656 62.003 61.300 0.078 0.000 1.480 152 I CB -0.351 37.695 38.000 0.077 0.000 1.095 152 I HN 0.100 nan 8.210 nan 0.000 0.455 153 V N 1.531 121.500 119.914 0.092 0.000 2.346 153 V HA -0.177 3.943 4.120 -0.001 0.000 0.244 153 V C 2.692 178.824 176.094 0.063 0.000 1.037 153 V CA 1.935 64.278 62.300 0.071 0.000 1.029 153 V CB -0.651 31.281 31.823 0.182 0.000 0.663 153 V HN 0.421 nan 8.190 nan 0.000 0.454 154 K N 1.504 121.950 120.400 0.076 0.000 2.097 154 K HA -0.212 4.108 4.320 -0.001 0.000 0.206 154 K C 1.747 178.366 176.600 0.032 0.000 1.049 154 K CA 1.799 58.117 56.287 0.053 0.000 0.933 154 K CB -0.188 32.345 32.500 0.055 0.000 0.717 154 K HN 0.664 nan 8.250 nan 0.000 0.442 155 N N -0.594 118.125 118.700 0.030 0.000 2.398 155 N HA 0.005 4.745 4.740 -0.001 0.000 0.188 155 N C 0.817 176.331 175.510 0.008 0.000 1.122 155 N CA 1.035 54.096 53.050 0.017 0.000 0.866 155 N CB 0.457 38.954 38.487 0.016 0.000 0.970 155 N HN 0.320 nan 8.380 nan 0.000 0.462 156 G N -0.151 108.651 108.800 0.002 0.000 2.157 156 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.248 156 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.248 156 G C 0.765 175.653 174.900 -0.020 0.000 0.979 156 G CA 0.477 45.568 45.100 -0.016 0.000 0.650 156 G HN 0.459 nan 8.290 nan 0.000 0.529 157 Q N -1.344 118.451 119.800 -0.008 0.000 2.096 157 Q HA 0.228 4.568 4.340 -0.001 0.000 0.197 157 Q C 1.136 177.130 176.000 -0.010 0.000 0.964 157 Q CA 0.954 56.758 55.803 0.001 0.000 0.838 157 Q CB 0.214 28.958 28.738 0.009 0.000 0.906 157 Q HN 0.550 nan 8.270 nan 0.000 0.444 158 L N 1.409 122.606 121.223 -0.042 0.000 2.265 158 L HA 0.282 4.622 4.340 -0.001 0.000 0.289 158 L C -0.921 175.774 176.870 -0.291 0.000 1.033 158 L CA -0.030 54.736 54.840 -0.123 0.000 0.814 158 L CB 1.341 43.332 42.059 -0.114 0.000 1.203 158 L HN -0.058 nan 8.230 nan 0.000 0.423 159 E N 4.325 124.314 120.200 -0.351 0.000 2.199 159 E HA 0.349 4.698 4.350 -0.001 0.000 0.265 159 E C -1.422 174.907 176.600 -0.451 0.000 0.882 159 E CA -0.741 55.455 56.400 -0.341 0.000 0.759 159 E CB 0.970 30.553 29.700 -0.194 0.000 1.148 159 E HN 0.483 nan 8.360 nan 0.000 0.412 160 F N 3.055 122.961 119.950 -0.074 0.000 2.412 160 F HA 0.214 4.740 4.527 -0.001 0.000 0.348 160 F C 0.320 176.093 175.800 -0.045 0.000 1.102 160 F CA -0.457 57.513 58.000 -0.051 0.000 1.196 160 F CB 1.227 40.209 39.000 -0.030 0.000 1.144 160 F HN 0.187 nan 8.300 nan 0.000 0.541 161 V N -0.097 119.887 119.914 0.117 0.000 2.495 161 V HA 0.642 4.762 4.120 -0.001 0.000 0.298 161 V C 0.208 176.439 176.094 0.227 0.000 1.031 161 V CA -0.506 61.860 62.300 0.110 0.000 0.871 161 V CB 0.914 32.694 31.823 -0.072 0.000 0.988 161 V HN 0.976 nan 8.190 nan 0.000 0.432 162 T N 3.245 118.007 114.554 0.347 0.000 12.940 162 T HA -0.307 4.042 4.350 -0.001 0.000 0.419 162 T C 1.751 176.685 174.700 0.389 0.000 1.444 162 T CA 2.886 65.237 62.100 0.419 0.000 2.373 162 T CB -1.682 67.333 68.868 0.244 0.000 2.821 162 T HN 2.795 nan 8.240 nan 0.000 0.696 163 G N 1.895 110.863 108.800 0.280 0.000 2.136 163 G HA2 0.101 4.060 3.960 -0.001 0.000 0.242 163 G HA3 0.101 4.060 3.960 -0.001 0.000 0.242 163 G C 0.320 175.366 174.900 0.243 0.000 0.989 163 G CA 0.597 45.837 45.100 0.234 0.000 0.682 163 G HN 1.558 nan 8.290 nan 0.000 0.522 164 G N -1.666 107.276 108.800 0.237 0.000 2.599 164 G HA2 0.360 4.319 3.960 -0.001 0.000 0.264 164 G HA3 0.360 4.319 3.960 -0.001 0.000 0.264 164 G C 0.986 176.066 174.900 0.299 0.000 1.200 164 G CA 0.169 45.421 45.100 0.253 0.000 0.896 164 G HN 0.338 nan 8.290 nan 0.000 0.536 165 W N 0.247 121.596 121.300 0.082 0.000 2.342 165 W HA -0.038 4.622 4.660 -0.001 0.000 0.297 165 W C 0.713 177.268 176.519 0.060 0.000 1.213 165 W CA 1.898 59.276 57.345 0.056 0.000 1.251 165 W CB 0.238 29.714 29.460 0.026 0.000 1.136 165 W HN 0.401 nan 8.180 nan 0.000 0.526 166 V N -2.730 117.309 119.914 0.208 0.000 3.105 166 V HA 0.502 4.621 4.120 -0.001 0.000 0.311 166 V C -0.452 175.735 176.094 0.156 0.000 1.287 166 V CA -1.282 61.088 62.300 0.117 0.000 1.066 166 V CB 1.739 33.653 31.823 0.151 0.000 1.105 166 V HN -0.061 nan 8.190 nan 0.000 0.462 167 M N 3.929 123.651 119.600 0.203 0.000 2.103 167 M HA 0.516 4.996 4.480 -0.001 0.000 0.350 167 M C -2.712 173.754 176.300 0.277 0.000 1.100 167 M CA -1.894 53.541 55.300 0.225 0.000 1.042 167 M CB 1.415 34.170 32.600 0.258 0.000 1.368 167 M HN 0.637 nan 8.290 nan 0.000 0.404 168 P HA 0.130 nan 4.420 nan 0.000 0.276 168 P C -0.933 176.377 177.300 0.017 0.000 1.244 168 P CA -0.210 62.943 63.100 0.089 0.000 0.801 168 P CB 0.581 32.321 31.700 0.066 0.000 1.006 169 D N 0.697 121.064 120.400 -0.055 0.000 2.478 169 D HA -0.093 4.546 4.640 -0.001 0.000 0.234 169 D C 0.707 177.018 176.300 0.017 0.000 1.154 169 D CA 0.788 54.736 54.000 -0.086 0.000 0.874 169 D CB 0.431 41.191 40.800 -0.067 0.000 1.198 169 D HN 0.312 nan 8.370 nan 0.000 0.455 170 E N 1.407 121.663 120.200 0.092 0.000 2.511 170 E HA 0.187 4.536 4.350 -0.001 0.000 0.209 170 E C 0.918 177.693 176.600 0.292 0.000 0.986 170 E CA 0.053 56.577 56.400 0.206 0.000 0.974 170 E CB 0.655 30.500 29.700 0.241 0.000 1.030 170 E HN 0.476 nan 8.360 nan 0.000 0.490 171 A N 1.427 124.369 122.820 0.204 0.000 1.901 171 A HA 0.020 4.339 4.320 -0.001 0.000 0.210 171 A C 1.818 179.283 177.584 -0.198 0.000 1.208 171 A CA 0.610 52.529 52.037 -0.198 0.000 0.644 171 A CB 0.043 18.903 19.000 -0.233 0.000 0.863 171 A HN 0.032 nan 8.150 nan 0.000 0.454 172 N N 0.604 119.281 118.700 -0.038 0.000 2.356 172 N HA 0.013 4.752 4.740 -0.001 0.000 0.178 172 N C 0.458 175.956 175.510 -0.020 0.000 1.075 172 N CA 0.751 53.773 53.050 -0.046 0.000 0.889 172 N CB 0.066 38.573 38.487 0.032 0.000 0.999 172 N HN 0.498 nan 8.380 nan 0.000 0.464 173 S N 0.791 116.490 115.700 -0.002 0.000 2.562 173 S HA 0.024 4.493 4.470 -0.001 0.000 0.281 173 S C 0.043 174.655 174.600 0.019 0.000 1.333 173 S CA -0.530 57.681 58.200 0.018 0.000 1.052 173 S CB 1.076 64.290 63.200 0.023 0.000 0.884 173 S HN 0.209 nan 8.310 nan 0.000 0.506 174 H N 3.383 122.428 119.070 -0.042 0.000 2.582 174 H HA 0.045 4.601 4.556 -0.001 0.000 0.345 174 H C 1.261 176.554 175.328 -0.059 0.000 1.104 174 H CA -0.251 55.755 56.048 -0.069 0.000 1.390 174 H CB 0.539 30.209 29.762 -0.155 0.000 1.461 174 H HN 1.030 nan 8.280 nan 0.000 0.551 175 W N 5.788 126.983 121.300 -0.176 0.000 2.350 175 W HA -0.175 4.484 4.660 -0.001 0.000 0.289 175 W C 1.068 177.655 176.519 0.114 0.000 1.215 175 W CA 0.428 57.751 57.345 -0.037 0.000 1.236 175 W CB -0.471 28.902 29.460 -0.145 0.000 1.130 175 W HN 0.533 nan 8.180 nan 0.000 0.541 176 R N 0.767 120.880 120.500 -0.644 0.000 2.096 176 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 176 R C 1.998 178.134 176.300 -0.273 0.000 1.127 176 R CA 1.859 57.495 56.100 -0.774 0.000 0.968 176 R CB -0.409 29.380 30.300 -0.851 0.000 0.861 176 R HN 0.146 nan 8.270 nan 0.000 0.440 177 N N -0.222 118.400 118.700 -0.130 0.000 2.376 177 N HA -0.049 4.690 4.740 -0.001 0.000 0.177 177 N C 1.708 177.222 175.510 0.008 0.000 1.024 177 N CA 0.656 53.673 53.050 -0.055 0.000 0.893 177 N CB 0.035 38.509 38.487 -0.021 0.000 0.980 177 N HN -0.007 nan 8.380 nan 0.000 0.439 178 V N 1.446 121.387 119.914 0.045 0.000 2.295 178 V HA -0.181 3.938 4.120 -0.001 0.000 0.246 178 V C 2.327 178.467 176.094 0.077 0.000 1.049 178 V CA 1.131 63.476 62.300 0.076 0.000 1.024 178 V CB -0.483 31.403 31.823 0.106 0.000 0.648 178 V HN 0.199 nan 8.190 nan 0.000 0.447 179 L N -0.352 120.927 121.223 0.092 0.000 2.093 179 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 179 L C 2.161 179.044 176.870 0.023 0.000 1.085 179 L CA 1.743 56.632 54.840 0.081 0.000 0.755 179 L CB -0.673 41.470 42.059 0.140 0.000 0.904 179 L HN 0.278 nan 8.230 nan 0.000 0.435 180 L N -0.041 121.173 121.223 -0.014 0.000 2.012 180 L HA -0.258 4.082 4.340 -0.001 0.000 0.210 180 L C 2.593 179.456 176.870 -0.011 0.000 1.073 180 L CA 2.376 57.197 54.840 -0.032 0.000 0.748 180 L CB -0.761 41.260 42.059 -0.064 0.000 0.891 180 L HN 0.678 nan 8.230 nan 0.000 0.431 181 Q N -1.025 118.792 119.800 0.028 0.000 2.123 181 Q HA -0.193 4.147 4.340 -0.001 0.000 0.199 181 Q C 2.037 178.124 176.000 0.145 0.000 0.966 181 Q CA 2.009 57.864 55.803 0.086 0.000 0.845 181 Q CB -1.169 27.657 28.738 0.147 0.000 0.907 181 Q HN 0.464 nan 8.270 nan 0.000 0.439 182 L N 0.877 122.171 121.223 0.118 0.000 2.046 182 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 182 L C 1.935 178.888 176.870 0.140 0.000 1.077 182 L CA 2.461 57.384 54.840 0.139 0.000 0.747 182 L CB -0.995 41.123 42.059 0.098 0.000 0.896 182 L HN 0.342 nan 8.230 nan 0.000 0.432 183 T N -1.037 113.568 114.554 0.084 0.000 2.821 183 T HA -0.173 4.176 4.350 -0.001 0.000 0.267 183 T C 1.713 176.468 174.700 0.091 0.000 1.046 183 T CA 1.376 63.518 62.100 0.071 0.000 1.139 183 T CB -0.147 68.734 68.868 0.022 0.000 0.871 183 T HN 0.343 nan 8.240 nan 0.000 0.454 184 E N 1.040 121.267 120.200 0.045 0.000 2.051 184 E HA -0.049 4.301 4.350 -0.001 0.000 0.192 184 E C 2.349 179.070 176.600 0.202 0.000 0.991 184 E CA 1.568 57.946 56.400 -0.036 0.000 0.799 184 E CB -0.853 28.635 29.700 -0.353 0.000 0.748 184 E HN 0.440 nan 8.360 nan 0.000 0.449 185 G N -0.157 108.864 108.800 0.370 0.000 2.402 185 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.216 185 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.216 185 G C 1.492 176.614 174.900 0.370 0.000 1.162 185 G CA 0.669 46.074 45.100 0.509 0.000 0.777 185 G HN 0.264 nan 8.290 nan 0.000 0.539 186 Q N -0.216 119.737 119.800 0.256 0.000 2.172 186 Q HA -0.044 4.295 4.340 -0.001 0.000 0.200 186 Q C 2.760 178.859 176.000 0.165 0.000 0.964 186 Q CA 1.338 57.251 55.803 0.184 0.000 0.855 186 Q CB -0.134 28.695 28.738 0.152 0.000 0.918 186 Q HN 0.403 nan 8.270 nan 0.000 0.444 187 T N 0.103 114.768 114.554 0.184 0.000 2.821 187 T HA -0.171 4.178 4.350 -0.001 0.000 0.267 187 T C 1.068 175.871 174.700 0.171 0.000 1.046 187 T CA 0.922 63.105 62.100 0.139 0.000 1.139 187 T CB -0.315 68.632 68.868 0.130 0.000 0.871 187 T HN 0.466 nan 8.240 nan 0.000 0.454 188 W N 1.607 123.003 121.300 0.160 0.000 2.355 188 W HA -0.042 4.617 4.660 -0.001 0.000 0.309 188 W C 1.779 178.408 176.519 0.182 0.000 1.206 188 W CA 0.916 58.433 57.345 0.287 0.000 1.284 188 W CB -0.438 29.258 29.460 0.394 0.000 1.145 188 W HN 0.133 nan 8.180 nan 0.000 0.502 189 L N 0.670 122.105 121.223 0.352 0.000 2.042 189 L HA -0.256 4.083 4.340 -0.001 0.000 0.210 189 L C 2.610 179.404 176.870 -0.127 0.000 1.076 189 L CA 1.918 56.782 54.840 0.040 0.000 0.749 189 L CB -0.918 41.107 42.059 -0.056 0.000 0.893 189 L HN 0.006 nan 8.230 nan 0.000 0.432 190 K N -0.002 120.348 120.400 -0.082 0.000 2.057 190 K HA -0.253 4.067 4.320 -0.001 0.000 0.206 190 K C 2.186 178.643 176.600 -0.239 0.000 1.050 190 K CA 1.506 57.720 56.287 -0.122 0.000 0.935 190 K CB -0.021 32.436 32.500 -0.071 0.000 0.715 190 K HN 0.255 nan 8.250 nan 0.000 0.439 191 Q N -0.794 118.790 119.800 -0.361 0.000 2.050 191 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 191 Q C 1.391 176.878 176.000 -0.856 0.000 0.980 191 Q CA 1.784 57.199 55.803 -0.645 0.000 0.840 191 Q CB 0.039 28.247 28.738 -0.883 0.000 0.898 191 Q HN 0.322 nan 8.270 nan 0.000 0.424 192 F N -1.465 118.081 119.950 -0.673 0.000 2.622 192 F HA 0.143 4.670 4.527 -0.001 0.000 0.288 192 F C 1.561 177.043 175.800 -0.530 0.000 1.120 192 F CA 0.230 57.759 58.000 -0.785 0.000 1.423 192 F CB 0.483 38.469 39.000 -1.690 0.000 1.127 192 F HN 0.092 nan 8.300 nan 0.000 0.588 193 M N -0.948 118.487 119.600 -0.275 0.000 2.306 193 M HA 0.248 4.728 4.480 -0.001 0.000 0.292 193 M C 0.243 176.520 176.300 -0.039 0.000 1.018 193 M CA 0.175 55.431 55.300 -0.074 0.000 1.007 193 M CB -1.024 31.570 32.600 -0.011 0.000 1.510 193 M HN 0.104 nan 8.290 nan 0.000 0.537 194 N N 2.056 120.697 118.700 -0.099 0.000 2.740 194 N HA -0.134 4.606 4.740 -0.001 0.000 0.248 194 N C -0.984 174.507 175.510 -0.031 0.000 1.062 194 N CA 0.744 53.752 53.050 -0.069 0.000 0.704 194 N CB -0.984 37.475 38.487 -0.045 0.000 0.968 194 N HN 0.403 nan 8.380 nan 0.000 0.547 195 V N -3.916 115.981 119.914 -0.028 0.000 3.049 195 V HA 0.887 5.006 4.120 -0.001 0.000 0.309 195 V C 0.018 176.099 176.094 -0.022 0.000 1.148 195 V CA -0.447 61.853 62.300 -0.000 0.000 0.990 195 V CB 2.353 34.222 31.823 0.077 0.000 1.039 195 V HN 0.062 nan 8.190 nan 0.000 0.430 196 T N 3.703 118.235 114.554 -0.036 0.000 2.985 196 T HA 0.561 4.910 4.350 -0.001 0.000 0.315 196 T C -2.775 171.845 174.700 -0.133 0.000 1.001 196 T CA -0.748 61.311 62.100 -0.069 0.000 1.016 196 T CB 1.372 70.190 68.868 -0.083 0.000 0.993 196 T HN 0.754 nan 8.240 nan 0.000 0.454 197 P HA 0.172 nan 4.420 nan 0.000 0.266 197 P C 0.847 177.767 177.300 -0.633 0.000 1.195 197 P CA -0.151 62.836 63.100 -0.190 0.000 0.768 197 P CB 0.542 32.245 31.700 0.004 0.000 0.838 198 T N -1.778 112.461 114.554 -0.526 0.000 3.043 198 T HA 0.544 4.893 4.350 -0.001 0.000 0.272 198 T C 0.326 174.848 174.700 -0.297 0.000 0.990 198 T CA -0.289 61.377 62.100 -0.724 0.000 0.897 198 T CB 0.128 68.780 68.868 -0.361 0.000 1.111 198 T HN 0.406 nan 8.240 nan 0.000 0.529 199 A N 0.879 123.684 122.820 -0.025 0.000 2.355 199 A HA 0.811 5.130 4.320 -0.001 0.000 0.317 199 A C -0.167 177.694 177.584 0.462 0.000 1.094 199 A CA -0.707 51.467 52.037 0.228 0.000 0.764 199 A CB 1.833 20.985 19.000 0.253 0.000 1.230 199 A HN 0.273 nan 8.150 nan 0.000 0.448 200 S N 2.026 117.979 115.700 0.421 0.000 2.549 200 S HA 0.700 5.169 4.470 -0.001 0.000 0.297 200 S C -1.192 173.602 174.600 0.324 0.000 1.115 200 S CA -0.440 57.950 58.200 0.317 0.000 1.059 200 S CB 0.865 64.069 63.200 0.006 0.000 1.046 200 S HN 0.842 nan 8.310 nan 0.000 0.506 201 W N 4.409 125.729 121.300 0.033 0.000 2.543 201 W HA 0.630 5.289 4.660 -0.001 0.000 0.318 201 W C -1.489 174.983 176.519 -0.079 0.000 1.002 201 W CA -0.813 56.505 57.345 -0.045 0.000 1.302 201 W CB 1.151 30.558 29.460 -0.089 0.000 1.299 201 W HN 0.798 nan 8.180 nan 0.000 0.424 202 A N 7.869 130.521 122.820 -0.280 0.000 2.893 202 A HA 0.274 4.593 4.320 -0.001 0.000 0.333 202 A C 0.377 177.712 177.584 -0.415 0.000 1.152 202 A CA -0.471 51.422 52.037 -0.241 0.000 0.782 202 A CB -0.406 18.572 19.000 -0.038 0.000 1.108 202 A HN 0.693 nan 8.150 nan 0.000 0.469 203 I N -2.189 117.945 120.570 -0.726 0.000 3.419 203 I HA 0.299 4.469 4.170 -0.001 0.000 0.286 203 I C 1.319 177.122 176.117 -0.523 0.000 1.268 203 I CA 1.244 62.086 61.300 -0.764 0.000 1.414 203 I CB 0.479 37.766 38.000 -1.188 0.000 1.074 203 I HN 0.347 nan 8.210 nan 0.000 0.457 204 A N 0.532 123.007 122.820 -0.575 0.000 2.211 204 A HA 0.484 4.804 4.320 -0.001 0.000 0.208 204 A C -1.986 175.175 177.584 -0.703 0.000 1.250 204 A CA -0.216 51.451 52.037 -0.617 0.000 0.935 204 A CB -0.767 17.714 19.000 -0.864 0.000 0.982 204 A HN 0.245 nan 8.150 nan 0.000 0.490 205 P HA 0.161 nan 4.420 nan 0.000 0.269 205 P C -0.770 176.084 177.300 -0.743 0.000 1.215 205 P CA 0.228 62.816 63.100 -0.854 0.000 0.780 205 P CB 0.113 31.471 31.700 -0.570 0.000 0.898 206 F N 1.790 121.500 119.950 -0.400 0.000 2.541 206 F HA 0.544 5.071 4.527 -0.001 0.000 0.351 206 F C 1.400 177.130 175.800 -0.117 0.000 1.209 206 F CA -0.651 57.067 58.000 -0.470 0.000 1.277 206 F CB -1.111 37.747 39.000 -0.236 0.000 1.632 206 F HN 0.500 nan 8.300 nan 0.000 0.619 207 G N 1.295 109.818 108.800 -0.462 0.000 2.662 207 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.686 207 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.686 207 G C -1.485 173.032 174.900 -0.640 0.000 1.271 207 G CA -1.157 43.773 45.100 -0.283 0.000 0.816 207 G HN 0.606 nan 8.290 nan 0.000 0.608 208 H N -0.541 118.212 119.070 -0.528 0.000 2.717 208 H HA 0.743 5.299 4.556 -0.001 0.000 0.366 208 H C -0.365 174.847 175.328 -0.193 0.000 1.132 208 H CA 0.025 55.961 56.048 -0.188 0.000 1.180 208 H CB 2.060 31.873 29.762 0.085 0.000 1.678 208 H HN 0.675 nan 8.280 nan 0.000 0.537 209 S N 2.329 118.176 115.700 0.245 0.000 2.501 209 S HA 0.258 4.727 4.470 -0.001 0.000 0.301 209 S C -1.788 172.840 174.600 0.046 0.000 1.096 209 S CA -1.813 56.542 58.200 0.257 0.000 1.063 209 S CB 1.303 64.696 63.200 0.321 0.000 1.042 209 S HN 0.450 nan 8.310 nan 0.000 0.494 210 P HA 0.019 nan 4.420 nan 0.000 0.234 210 P C 1.077 178.120 177.300 -0.428 0.000 1.167 210 P CA 0.707 63.403 63.100 -0.673 0.000 0.763 210 P CB -0.261 31.207 31.700 -0.387 0.000 0.835 211 T N -0.291 114.148 114.554 -0.193 0.000 2.833 211 T HA -0.148 4.201 4.350 -0.001 0.000 0.269 211 T C 1.739 176.389 174.700 -0.083 0.000 1.054 211 T CA 1.382 63.408 62.100 -0.123 0.000 1.135 211 T CB -0.483 68.353 68.868 -0.054 0.000 0.869 211 T HN 0.049 nan 8.240 nan 0.000 0.466 212 M N 1.885 121.395 119.600 -0.150 0.000 2.077 212 M HA 0.019 4.499 4.480 -0.001 0.000 0.261 212 M C -1.064 175.097 176.300 -0.232 0.000 1.070 212 M CA 1.443 56.656 55.300 -0.145 0.000 1.125 212 M CB -0.948 31.594 32.600 -0.096 0.000 1.339 212 M HN 0.013 nan 8.290 nan 0.000 0.409 213 P HA -0.201 nan 4.420 nan 0.000 0.220 213 P C 1.374 178.547 177.300 -0.211 0.000 1.148 213 P CA 1.422 64.328 63.100 -0.324 0.000 0.803 213 P CB -0.518 30.892 31.700 -0.483 0.000 0.782 214 Y N 1.145 121.255 120.300 -0.316 0.000 2.097 214 Y HA -0.209 4.341 4.550 -0.001 0.000 0.282 214 Y C 2.421 178.237 175.900 -0.139 0.000 1.152 214 Y CA 1.745 59.725 58.100 -0.200 0.000 1.136 214 Y CB -0.946 37.412 38.460 -0.170 0.000 0.975 214 Y HN -0.239 nan 8.280 nan 0.000 0.498 215 I N -0.455 120.145 120.570 0.049 0.000 2.286 215 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 215 I C 2.270 178.324 176.117 -0.104 0.000 1.104 215 I CA 1.097 62.391 61.300 -0.009 0.000 1.397 215 I CB -0.389 37.664 38.000 0.089 0.000 1.072 215 I HN 0.269 nan 8.210 nan 0.000 0.417 216 L N 0.112 121.222 121.223 -0.188 0.000 2.046 216 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 216 L C 2.691 179.548 176.870 -0.021 0.000 1.077 216 L CA 1.206 55.870 54.840 -0.294 0.000 0.747 216 L CB -0.695 40.998 42.059 -0.610 0.000 0.896 216 L HN 0.345 nan 8.230 nan 0.000 0.432 217 Q N 1.110 120.862 119.800 -0.079 0.000 2.226 217 Q HA -0.193 4.146 4.340 -0.001 0.000 0.204 217 Q C 1.632 177.593 176.000 -0.064 0.000 0.975 217 Q CA 1.457 57.234 55.803 -0.044 0.000 0.866 217 Q CB 0.123 28.803 28.738 -0.097 0.000 0.915 217 Q HN 0.463 nan 8.270 nan 0.000 0.440 218 K N -0.447 119.875 120.400 -0.130 0.000 2.458 218 K HA 0.112 4.432 4.320 -0.001 0.000 0.194 218 K C 0.613 177.180 176.600 -0.055 0.000 1.024 218 K CA 0.096 56.303 56.287 -0.134 0.000 1.108 218 K CB 0.515 32.865 32.500 -0.251 0.000 0.846 218 K HN -0.073 nan 8.250 nan 0.000 0.518 219 S N -0.274 115.449 115.700 0.039 0.000 2.754 219 S HA 0.208 4.677 4.470 -0.001 0.000 0.247 219 S C 0.770 175.470 174.600 0.167 0.000 1.031 219 S CA 0.104 58.373 58.200 0.114 0.000 1.014 219 S CB 1.309 64.622 63.200 0.189 0.000 0.918 219 S HN 0.528 nan 8.310 nan 0.000 0.519 220 G N 1.189 110.039 108.800 0.085 0.000 2.195 220 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.246 220 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.246 220 G C -0.013 174.858 174.900 -0.047 0.000 0.984 220 G CA -0.462 44.628 45.100 -0.016 0.000 0.633 220 G HN 0.432 nan 8.290 nan 0.000 0.525 221 F N 0.457 120.368 119.950 -0.065 0.000 2.450 221 F HA 0.586 5.112 4.527 -0.001 0.000 0.339 221 F C 1.570 177.311 175.800 -0.097 0.000 1.146 221 F CA 0.053 58.010 58.000 -0.072 0.000 1.267 221 F CB 0.910 39.871 39.000 -0.066 0.000 1.178 221 F HN -0.196 nan 8.300 nan 0.000 0.585 222 K N 0.670 121.085 120.400 0.025 0.000 2.425 222 K HA 0.252 4.572 4.320 -0.001 0.000 0.201 222 K C -0.401 176.140 176.600 -0.099 0.000 1.128 222 K CA 0.267 56.512 56.287 -0.070 0.000 1.000 222 K CB 0.248 32.658 32.500 -0.150 0.000 0.961 222 K HN 0.518 nan 8.250 nan 0.000 0.555 223 N N 0.694 119.318 118.700 -0.126 0.000 2.484 223 N HA 0.393 5.132 4.740 -0.001 0.000 0.269 223 N C -0.942 174.412 175.510 -0.260 0.000 1.237 223 N CA -0.392 52.414 53.050 -0.408 0.000 0.838 223 N CB 2.510 40.178 38.487 -1.365 0.000 1.593 223 N HN -0.080 nan 8.380 nan 0.000 0.485 224 M N -0.336 119.126 119.600 -0.230 0.000 2.569 224 M HA 0.627 5.107 4.480 -0.001 0.000 0.279 224 M C -1.919 174.445 176.300 0.106 0.000 1.253 224 M CA -0.956 54.336 55.300 -0.014 0.000 0.867 224 M CB 2.896 35.478 32.600 -0.029 0.000 1.727 224 M HN 0.459 nan 8.290 nan 0.000 0.467 225 L N 3.634 124.941 121.223 0.140 0.000 2.386 225 L HA 0.878 5.217 4.340 -0.001 0.000 0.271 225 L C -1.412 175.333 176.870 -0.209 0.000 0.993 225 L CA -0.747 54.127 54.840 0.058 0.000 0.819 225 L CB 1.979 44.117 42.059 0.132 0.000 1.294 225 L HN 0.950 nan 8.230 nan 0.000 0.414 226 I N 0.963 121.318 120.570 -0.358 0.000 3.145 226 I HA 0.622 4.791 4.170 -0.001 0.000 0.313 226 I C -0.696 175.107 176.117 -0.524 0.000 1.122 226 I CA -0.580 60.314 61.300 -0.676 0.000 0.987 226 I CB 2.235 39.552 38.000 -1.139 0.000 1.236 226 I HN 0.733 nan 8.210 nan 0.000 0.453 227 Q N 1.699 121.252 119.800 -0.411 0.000 2.485 227 Q HA 0.329 4.668 4.340 -0.001 0.000 0.228 227 Q C -0.064 175.838 176.000 -0.163 0.000 0.763 227 Q CA 0.356 56.009 55.803 -0.250 0.000 0.959 227 Q CB 0.648 29.236 28.738 -0.250 0.000 1.314 227 Q HN 0.662 nan 8.270 nan 0.000 0.508 228 R N 2.056 122.507 120.500 -0.082 0.000 2.870 228 R HA 0.362 4.701 4.340 -0.001 0.000 0.254 228 R C -0.687 175.365 176.300 -0.413 0.000 1.392 228 R CA 0.502 56.283 56.100 -0.532 0.000 1.322 228 R CB 0.401 30.037 30.300 -1.107 0.000 1.205 228 R HN 0.378 nan 8.270 nan 0.000 0.597 229 T N -2.603 111.925 114.554 -0.043 0.000 2.924 229 T HA 0.143 4.492 4.350 -0.001 0.000 0.291 229 T C 0.064 175.020 174.700 0.427 0.000 1.045 229 T CA -0.873 61.333 62.100 0.176 0.000 1.015 229 T CB 1.771 70.587 68.868 -0.087 0.000 1.103 229 T HN 0.407 nan 8.240 nan 0.000 0.496 230 H N 1.955 121.243 119.070 0.363 0.000 3.140 230 H HA -0.052 4.503 4.556 -0.001 0.000 0.316 230 H C 1.055 176.443 175.328 0.100 0.000 0.986 230 H CA 0.515 56.676 56.048 0.189 0.000 1.397 230 H CB 0.322 30.219 29.762 0.225 0.000 1.377 230 H HN 0.925 nan 8.280 nan 0.000 0.585 231 Y N 2.327 122.729 120.300 0.170 0.000 2.256 231 Y HA -0.181 4.369 4.550 -0.001 0.000 0.288 231 Y C 2.218 178.291 175.900 0.289 0.000 1.155 231 Y CA 0.971 59.205 58.100 0.223 0.000 1.203 231 Y CB -0.692 37.838 38.460 0.117 0.000 0.980 231 Y HN 0.295 nan 8.280 nan 0.000 0.530 232 S N 0.309 116.048 115.700 0.065 0.000 2.402 232 S HA -0.118 4.352 4.470 -0.001 0.000 0.229 232 S C 2.090 176.603 174.600 -0.145 0.000 1.021 232 S CA 1.169 59.289 58.200 -0.133 0.000 0.974 232 S CB -0.552 62.328 63.200 -0.534 0.000 0.800 232 S HN 0.374 nan 8.310 nan 0.000 0.484 233 V N 1.913 121.803 119.914 -0.040 0.000 2.358 233 V HA -0.165 3.955 4.120 -0.001 0.000 0.246 233 V C 2.226 178.354 176.094 0.056 0.000 1.047 233 V CA 1.584 63.893 62.300 0.015 0.000 1.035 233 V CB -0.495 31.445 31.823 0.194 0.000 0.658 233 V HN 0.408 nan 8.190 nan 0.000 0.452 234 K N 0.122 120.599 120.400 0.129 0.000 2.063 234 K HA -0.244 4.076 4.320 -0.001 0.000 0.208 234 K C 2.273 179.002 176.600 0.214 0.000 1.048 234 K CA 1.766 58.145 56.287 0.154 0.000 0.928 234 K CB -0.237 32.414 32.500 0.251 0.000 0.713 234 K HN 0.347 nan 8.250 nan 0.000 0.442 235 K N 1.158 121.682 120.400 0.207 0.000 2.057 235 K HA -0.234 4.086 4.320 -0.001 0.000 0.207 235 K C 2.132 178.823 176.600 0.151 0.000 1.049 235 K CA 1.734 58.151 56.287 0.216 0.000 0.931 235 K CB 0.050 32.603 32.500 0.088 0.000 0.714 235 K HN -0.026 nan 8.250 nan 0.000 0.440 236 E N 0.905 121.114 120.200 0.014 0.000 2.051 236 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 236 E C 1.933 178.524 176.600 -0.016 0.000 0.991 236 E CA 1.376 57.743 56.400 -0.054 0.000 0.799 236 E CB -0.185 29.433 29.700 -0.136 0.000 0.748 236 E HN 0.346 nan 8.360 nan 0.000 0.449 237 L N -0.247 120.978 121.223 0.004 0.000 2.109 237 L HA -0.044 4.296 4.340 -0.001 0.000 0.207 237 L C 2.490 179.378 176.870 0.030 0.000 1.086 237 L CA 0.914 55.749 54.840 -0.008 0.000 0.760 237 L CB -0.560 41.479 42.059 -0.033 0.000 0.910 237 L HN 0.214 nan 8.230 nan 0.000 0.437 238 A N -0.346 122.545 122.820 0.118 0.000 1.933 238 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 238 A C 2.201 179.969 177.584 0.307 0.000 1.175 238 A CA 1.387 53.548 52.037 0.206 0.000 0.628 238 A CB -0.421 18.860 19.000 0.468 0.000 0.814 238 A HN 0.454 nan 8.150 nan 0.000 0.444 239 Q N -0.909 119.020 119.800 0.214 0.000 2.170 239 Q HA -0.150 4.189 4.340 -0.001 0.000 0.203 239 Q C 1.311 177.298 176.000 -0.021 0.000 0.976 239 Q CA 1.256 57.027 55.803 -0.052 0.000 0.858 239 Q CB -0.029 28.549 28.738 -0.266 0.000 0.907 239 Q HN 0.610 nan 8.270 nan 0.000 0.433 240 Q N -0.261 119.540 119.800 0.001 0.000 2.247 240 Q HA 0.143 4.483 4.340 -0.001 0.000 0.204 240 Q C -0.350 175.665 176.000 0.026 0.000 0.872 240 Q CA -0.054 55.748 55.803 -0.003 0.000 0.951 240 Q CB 0.680 29.407 28.738 -0.019 0.000 1.099 240 Q HN 0.262 nan 8.270 nan 0.000 0.501 241 R N 0.858 121.380 120.500 0.036 0.000 3.333 241 R HA -0.204 4.135 4.340 -0.001 0.000 0.256 241 R C -0.160 176.172 176.300 0.054 0.000 1.010 241 R CA 0.469 56.584 56.100 0.024 0.000 0.680 241 R CB -1.631 28.709 30.300 0.067 0.000 1.102 241 R HN 0.389 nan 8.270 nan 0.000 0.440 242 Q N -0.045 119.776 119.800 0.034 0.000 2.186 242 Q HA 0.190 4.529 4.340 -0.001 0.000 0.241 242 Q C 1.196 177.277 176.000 0.134 0.000 0.849 242 Q CA -0.227 55.630 55.803 0.091 0.000 1.053 242 Q CB 0.557 29.312 28.738 0.027 0.000 1.146 242 Q HN 0.431 nan 8.270 nan 0.000 0.475 243 L N 0.085 121.320 121.223 0.020 0.000 2.418 243 L HA 0.062 4.401 4.340 -0.001 0.000 0.218 243 L C 0.249 177.106 176.870 -0.023 0.000 1.125 243 L CA 0.884 55.704 54.840 -0.033 0.000 0.835 243 L CB 0.376 42.220 42.059 -0.358 0.000 0.953 243 L HN 0.185 nan 8.230 nan 0.000 0.454 244 E N 0.214 120.447 120.200 0.056 0.000 2.158 244 E HA 0.505 4.855 4.350 -0.001 0.000 0.271 244 E C -1.223 175.285 176.600 -0.153 0.000 0.911 244 E CA -0.530 55.697 56.400 -0.287 0.000 0.767 244 E CB 1.502 31.149 29.700 -0.087 0.000 1.120 244 E HN -0.001 nan 8.360 nan 0.000 0.405 245 F N -0.247 119.444 119.950 -0.432 0.000 2.686 245 F HA 0.481 5.008 4.527 -0.001 0.000 0.311 245 F C -1.487 174.207 175.800 -0.176 0.000 1.128 245 F CA -1.426 56.473 58.000 -0.168 0.000 0.946 245 F CB 0.773 39.702 39.000 -0.118 0.000 1.336 245 F HN 0.154 nan 8.300 nan 0.000 0.457 246 L N 2.635 124.024 121.223 0.276 0.000 2.268 246 L HA 0.166 4.506 4.340 -0.001 0.000 0.289 246 L C -1.074 176.031 176.870 0.393 0.000 1.064 246 L CA -0.202 54.796 54.840 0.264 0.000 0.824 246 L CB 0.448 42.662 42.059 0.259 0.000 1.202 246 L HN 0.581 nan 8.230 nan 0.000 0.433 247 W N 6.812 128.225 121.300 0.188 0.000 2.416 247 W HA 0.338 4.998 4.660 -0.001 0.000 0.318 247 W C 0.236 176.784 176.519 0.047 0.000 1.150 247 W CA -1.281 56.192 57.345 0.213 0.000 1.392 247 W CB 0.475 30.099 29.460 0.273 0.000 1.311 247 W HN 0.515 nan 8.180 nan 0.000 0.436 248 R N 3.677 124.359 120.500 0.303 0.000 2.758 248 R HA 0.550 4.890 4.340 -0.001 0.000 0.265 248 R C -0.095 176.112 176.300 -0.155 0.000 1.016 248 R CA -0.898 55.202 56.100 0.001 0.000 1.040 248 R CB 1.119 31.402 30.300 -0.028 0.000 1.152 248 R HN 0.237 nan 8.270 nan 0.000 0.503 249 Q N 1.301 120.849 119.800 -0.420 0.000 2.394 249 Q HA 0.076 4.415 4.340 -0.001 0.000 0.248 249 Q C 1.446 177.054 176.000 -0.654 0.000 0.992 249 Q CA 0.047 55.406 55.803 -0.740 0.000 0.888 249 Q CB 0.900 28.703 28.738 -1.560 0.000 1.257 249 Q HN 0.851 nan 8.270 nan 0.000 0.462 250 I N -2.181 118.114 120.570 -0.458 0.000 2.567 250 I HA -0.141 4.028 4.170 -0.001 0.000 0.257 250 I C 1.300 177.361 176.117 -0.093 0.000 1.184 250 I CA 1.192 62.385 61.300 -0.177 0.000 1.451 250 I CB -0.354 37.637 38.000 -0.014 0.000 1.089 250 I HN 0.667 nan 8.210 nan 0.000 0.441 251 W N 1.389 122.750 121.300 0.102 0.000 3.278 251 W HA 0.356 5.016 4.660 -0.001 0.000 0.308 251 W C 0.215 176.813 176.519 0.132 0.000 1.253 251 W CA -0.654 56.814 57.345 0.205 0.000 1.759 251 W CB -0.666 29.008 29.460 0.357 0.000 1.093 251 W HN -0.049 nan 8.180 nan 0.000 0.648 252 D N 1.814 121.976 120.400 -0.397 0.000 2.393 252 D HA -0.013 4.626 4.640 -0.001 0.000 0.232 252 D C 0.942 177.216 176.300 -0.043 0.000 1.192 252 D CA 0.068 53.943 54.000 -0.208 0.000 0.882 252 D CB 0.394 40.966 40.800 -0.381 0.000 1.038 252 D HN 0.078 nan 8.370 nan 0.000 0.499 253 N N 3.758 122.496 118.700 0.063 0.000 2.270 253 N HA -0.142 4.598 4.740 -0.001 0.000 0.181 253 N C 1.437 176.966 175.510 0.033 0.000 1.016 253 N CA 1.150 54.229 53.050 0.048 0.000 0.870 253 N CB 0.129 38.667 38.487 0.086 0.000 0.979 253 N HN 0.367 nan 8.380 nan 0.000 0.431 254 K N -1.221 119.204 120.400 0.040 0.000 2.186 254 K HA 0.112 4.431 4.320 -0.001 0.000 0.202 254 K C 0.725 177.339 176.600 0.023 0.000 1.052 254 K CA 1.030 57.338 56.287 0.034 0.000 0.965 254 K CB 0.050 32.575 32.500 0.042 0.000 0.746 254 K HN 0.201 nan 8.250 nan 0.000 0.457 255 G N 0.782 109.586 108.800 0.008 0.000 2.163 255 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.213 255 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.213 255 G C 0.135 175.037 174.900 0.003 0.000 0.991 255 G CA 0.335 45.438 45.100 0.004 0.000 0.653 255 G HN 0.389 nan 8.290 nan 0.000 0.518 256 D N 0.617 121.019 120.400 0.004 0.000 2.348 256 D HA 0.007 4.646 4.640 -0.001 0.000 0.216 256 D C 2.547 178.833 176.300 -0.023 0.000 0.970 256 D CA 1.652 55.651 54.000 -0.001 0.000 0.889 256 D CB -0.208 40.597 40.800 0.009 0.000 0.912 256 D HN 0.663 nan 8.370 nan 0.000 0.524 257 T N -2.182 112.347 114.554 -0.042 0.000 3.129 257 T HA 0.332 4.681 4.350 -0.001 0.000 0.251 257 T C 0.937 175.596 174.700 -0.067 0.000 1.117 257 T CA -0.182 61.871 62.100 -0.078 0.000 1.034 257 T CB 0.013 68.812 68.868 -0.114 0.000 0.968 257 T HN 0.048 nan 8.240 nan 0.000 0.526 258 A N 1.369 124.177 122.820 -0.020 0.000 2.462 258 A HA 0.597 4.917 4.320 -0.001 0.000 0.243 258 A C -0.321 177.285 177.584 0.037 0.000 1.076 258 A CA -0.450 51.607 52.037 0.033 0.000 0.773 258 A CB 0.024 19.071 19.000 0.078 0.000 1.010 258 A HN 0.538 nan 8.150 nan 0.000 0.493 259 L N 2.441 123.708 121.223 0.073 0.000 2.409 259 L HA 0.566 4.906 4.340 -0.001 0.000 0.272 259 L C -0.707 176.230 176.870 0.110 0.000 0.980 259 L CA -0.548 54.330 54.840 0.064 0.000 0.826 259 L CB 1.446 43.506 42.059 0.001 0.000 1.268 259 L HN 0.659 nan 8.230 nan 0.000 0.407 260 F N 3.855 123.767 119.950 -0.063 0.000 2.578 260 F HA 0.411 4.938 4.527 -0.001 0.000 0.381 260 F C 0.020 175.703 175.800 -0.196 0.000 1.069 260 F CA 0.746 58.676 58.000 -0.118 0.000 1.231 260 F CB 0.475 39.424 39.000 -0.084 0.000 1.086 260 F HN 0.565 nan 8.300 nan 0.000 0.564 261 T N 5.387 119.377 114.554 -0.940 0.000 2.848 261 T HA 0.201 4.551 4.350 -0.001 0.000 0.285 261 T C -1.598 172.453 174.700 -1.082 0.000 0.995 261 T CA -0.468 61.145 62.100 -0.812 0.000 0.970 261 T CB 0.866 69.239 68.868 -0.825 0.000 0.976 261 T HN 0.619 nan 8.240 nan 0.000 0.441 262 H N 2.868 121.618 119.070 -0.532 0.000 2.504 262 H HA 0.631 5.186 4.556 -0.001 0.000 0.322 262 H C -0.403 174.727 175.328 -0.330 0.000 1.055 262 H CA -0.756 55.096 56.048 -0.326 0.000 1.231 262 H CB 0.760 30.558 29.762 0.060 0.000 1.417 262 H HN 0.481 nan 8.280 nan 0.000 0.472 263 M N 6.945 126.195 119.600 -0.584 0.000 2.157 263 M HA 0.302 4.782 4.480 -0.001 0.000 0.354 263 M C -0.989 175.042 176.300 -0.449 0.000 1.170 263 M CA -0.599 54.436 55.300 -0.441 0.000 1.060 263 M CB 0.721 33.123 32.600 -0.329 0.000 1.615 263 M HN 0.671 nan 8.290 nan 0.000 0.460 264 M N 6.666 126.105 119.600 -0.267 0.000 2.240 264 M HA 0.219 4.699 4.480 -0.001 0.000 0.333 264 M C -1.644 174.519 176.300 -0.229 0.000 1.110 264 M CA -1.286 53.910 55.300 -0.173 0.000 1.173 264 M CB 0.448 32.974 32.600 -0.124 0.000 1.458 264 M HN 0.476 nan 8.290 nan 0.000 0.458 265 P HA 0.137 nan 4.420 nan 0.000 0.252 265 P C -0.354 176.758 177.300 -0.314 0.000 1.218 265 P CA 0.820 63.621 63.100 -0.499 0.000 0.807 265 P CB 0.389 31.475 31.700 -1.023 0.000 1.072 266 F N -1.778 118.181 119.950 0.016 0.000 2.629 266 F HA 0.304 4.831 4.527 -0.001 0.000 0.386 266 F C 1.987 177.878 175.800 0.153 0.000 1.135 266 F CA -1.367 56.682 58.000 0.082 0.000 1.116 266 F CB -0.860 38.121 39.000 -0.031 0.000 1.426 266 F HN -0.323 nan 8.300 nan 0.000 0.501 267 Y N -0.069 120.383 120.300 0.253 0.000 2.395 267 Y HA 0.167 4.717 4.550 -0.001 0.000 0.293 267 Y C 0.862 176.679 175.900 -0.138 0.000 1.123 267 Y CA 1.178 59.281 58.100 0.005 0.000 1.227 267 Y CB 0.110 38.467 38.460 -0.170 0.000 1.012 267 Y HN 0.343 nan 8.280 nan 0.000 0.552 268 S N -1.707 113.851 115.700 -0.237 0.000 2.651 268 S HA 0.253 4.722 4.470 -0.001 0.000 0.279 268 S C -0.349 174.193 174.600 -0.098 0.000 1.148 268 S CA -0.394 57.569 58.200 -0.395 0.000 0.837 268 S CB 0.318 63.245 63.200 -0.455 0.000 1.138 268 S HN 0.282 nan 8.310 nan 0.000 0.478 269 Y N 0.767 121.025 120.300 -0.069 0.000 2.466 269 Y HA 0.312 4.861 4.550 -0.001 0.000 0.272 269 Y C 0.452 176.443 175.900 0.152 0.000 1.169 269 Y CA -0.569 57.525 58.100 -0.010 0.000 1.285 269 Y CB -0.976 37.393 38.460 -0.152 0.000 1.078 269 Y HN 0.537 nan 8.280 nan 0.000 0.523 270 D N 0.682 121.132 120.400 0.083 0.000 2.384 270 D HA -0.020 4.620 4.640 -0.001 0.000 0.244 270 D C 1.237 177.679 176.300 0.237 0.000 1.251 270 D CA -0.408 53.712 54.000 0.200 0.000 0.961 270 D CB 0.801 41.678 40.800 0.128 0.000 1.116 270 D HN 0.252 nan 8.370 nan 0.000 0.484 271 I N -0.377 120.304 120.570 0.184 0.000 2.252 271 I HA -0.132 4.037 4.170 -0.001 0.000 0.245 271 I C -0.767 175.390 176.117 0.067 0.000 1.102 271 I CA 0.710 62.101 61.300 0.152 0.000 1.385 271 I CB -1.166 36.910 38.000 0.127 0.000 1.064 271 I HN 0.320 nan 8.210 nan 0.000 0.414 272 P HA -0.167 nan 4.420 nan 0.000 0.218 272 P C 0.573 177.561 177.300 -0.519 0.000 1.146 272 P CA 1.652 64.559 63.100 -0.321 0.000 0.813 272 P CB -0.107 31.385 31.700 -0.346 0.000 0.778 273 H N -3.119 115.954 119.070 0.004 0.000 2.512 273 H HA 0.225 4.780 4.556 -0.001 0.000 0.276 273 H C 0.830 176.262 175.328 0.172 0.000 1.126 273 H CA 0.509 56.572 56.048 0.025 0.000 1.060 273 H CB -0.140 29.708 29.762 0.143 0.000 1.646 273 H HN 0.096 nan 8.280 nan 0.000 0.571 274 T N -4.125 110.550 114.554 0.203 0.000 3.016 274 T HA -0.016 4.334 4.350 -0.001 0.000 0.271 274 T C 1.754 176.579 174.700 0.209 0.000 0.968 274 T CA 0.354 62.601 62.100 0.245 0.000 0.891 274 T CB -0.691 68.313 68.868 0.225 0.000 1.149 274 T HN 0.506 nan 8.240 nan 0.000 0.524 275 c N 1.470 120.161 118.600 0.152 0.000 2.563 275 c HA 0.718 5.287 4.570 -0.001 0.000 0.268 275 c C 1.315 175.529 174.090 0.206 0.000 1.365 275 c CA 0.350 56.810 56.329 0.218 0.000 1.754 275 c CB -1.148 41.452 42.510 0.149 0.000 1.932 275 c HN 0.886 nan 8.230 nan 0.000 0.536 276 G N -0.235 108.605 108.800 0.067 0.000 2.324 276 G HA2 0.358 4.318 3.960 -0.001 0.000 0.293 276 G HA3 0.358 4.318 3.960 -0.001 0.000 0.293 276 G C -2.760 171.716 174.900 -0.707 0.000 1.297 276 G CA 0.207 45.270 45.100 -0.063 0.000 0.853 276 G HN -0.110 nan 8.290 nan 0.000 0.535 277 P HA 0.106 nan 4.420 nan 0.000 0.229 277 P C -0.124 176.742 177.300 -0.724 0.000 1.160 277 P CA 0.986 63.352 63.100 -1.223 0.000 0.777 277 P CB 0.390 31.720 31.700 -0.617 0.000 0.814 278 D N 0.975 121.071 120.400 -0.507 0.000 2.454 278 D HA 0.141 4.781 4.640 -0.001 0.000 0.225 278 D C -1.502 174.452 176.300 -0.576 0.000 1.081 278 D CA -2.595 51.154 54.000 -0.418 0.000 0.864 278 D CB 1.365 42.004 40.800 -0.268 0.000 1.040 278 D HN -0.005 nan 8.370 nan 0.000 0.517 279 P HA -0.136 nan 4.420 nan 0.000 0.221 279 P C 1.233 177.722 177.300 -1.352 0.000 1.150 279 P CA 0.682 63.029 63.100 -1.256 0.000 0.800 279 P CB 0.471 31.115 31.700 -1.759 0.000 0.787 280 K N 0.361 120.082 120.400 -1.132 0.000 2.147 280 K HA -0.068 4.252 4.320 -0.001 0.000 0.205 280 K C 1.745 178.149 176.600 -0.326 0.000 1.049 280 K CA 1.101 57.028 56.287 -0.600 0.000 0.936 280 K CB -0.239 32.109 32.500 -0.252 0.000 0.722 280 K HN -0.064 nan 8.250 nan 0.000 0.446 281 V N 0.412 120.141 119.914 -0.309 0.000 2.379 281 V HA -0.220 3.899 4.120 -0.001 0.000 0.243 281 V C 2.401 178.460 176.094 -0.060 0.000 1.035 281 V CA 1.331 63.550 62.300 -0.135 0.000 1.035 281 V CB -0.273 31.484 31.823 -0.109 0.000 0.673 281 V HN 0.479 nan 8.190 nan 0.000 0.457 282 c N -0.691 117.795 118.600 -0.190 0.000 2.422 282 c HA -0.195 4.375 4.570 -0.001 0.000 0.279 282 c C 2.974 177.026 174.090 -0.064 0.000 1.305 282 c CA 0.803 57.084 56.329 -0.079 0.000 1.757 282 c CB -1.504 40.880 42.510 -0.209 0.000 1.962 282 c HN 0.760 nan 8.230 nan 0.000 0.499 283 c N 0.827 119.298 118.600 -0.216 0.000 2.419 283 c HA -0.134 4.435 4.570 -0.001 0.000 0.281 283 c C 2.607 176.589 174.090 -0.181 0.000 1.336 283 c CA 1.167 57.421 56.329 -0.125 0.000 1.770 283 c CB -1.466 41.035 42.510 -0.014 0.000 1.929 283 c HN 0.637 nan 8.230 nan 0.000 0.509 284 Q N -1.304 118.339 119.800 -0.261 0.000 2.500 284 Q HA -0.030 4.309 4.340 -0.001 0.000 0.213 284 Q C 0.656 176.012 176.000 -1.073 0.000 0.974 284 Q CA 1.047 56.513 55.803 -0.562 0.000 0.918 284 Q CB -0.024 28.362 28.738 -0.586 0.000 0.980 284 Q HN 0.750 nan 8.270 nan 0.000 0.505 285 F N -0.410 119.238 119.950 -0.504 0.000 2.698 285 F HA 0.165 4.692 4.527 -0.001 0.000 0.304 285 F C 0.209 175.734 175.800 -0.457 0.000 1.108 285 F CA -0.608 56.989 58.000 -0.671 0.000 1.263 285 F CB 0.788 39.649 39.000 -0.233 0.000 1.013 285 F HN -0.150 nan 8.300 nan 0.000 0.532 286 D N 0.149 120.346 120.400 -0.339 0.000 2.479 286 D HA 0.126 4.765 4.640 -0.001 0.000 0.218 286 D C 0.461 176.587 176.300 -0.289 0.000 1.131 286 D CA -0.270 53.631 54.000 -0.166 0.000 0.916 286 D CB 0.091 40.848 40.800 -0.072 0.000 1.022 286 D HN 0.090 nan 8.370 nan 0.000 0.515 287 F N 1.755 121.710 119.950 0.008 0.000 2.802 287 F HA 0.111 4.637 4.527 -0.001 0.000 0.300 287 F C 2.315 178.061 175.800 -0.090 0.000 1.168 287 F CA 0.245 58.223 58.000 -0.036 0.000 1.433 287 F CB 0.114 39.114 39.000 0.000 0.000 1.115 287 F HN 0.262 nan 8.300 nan 0.000 0.582 288 K N 0.661 120.994 120.400 -0.111 0.000 2.525 288 K HA 0.045 4.364 4.320 -0.001 0.000 0.192 288 K C 1.037 177.600 176.600 -0.062 0.000 1.029 288 K CA 0.276 56.361 56.287 -0.337 0.000 1.029 288 K CB 0.122 32.284 32.500 -0.563 0.000 0.814 288 K HN 0.191 nan 8.250 nan 0.000 0.503 289 R N 0.202 120.691 120.500 -0.018 0.000 2.702 289 R HA 0.197 4.536 4.340 -0.001 0.000 0.314 289 R C 0.777 177.107 176.300 0.050 0.000 1.152 289 R CA -0.153 55.960 56.100 0.022 0.000 1.097 289 R CB 0.225 30.515 30.300 -0.018 0.000 1.343 289 R HN 0.185 nan 8.270 nan 0.000 0.575 290 M N -1.216 118.454 119.600 0.116 0.000 2.428 290 M HA 0.183 4.663 4.480 -0.001 0.000 0.239 290 M C 1.123 177.466 176.300 0.071 0.000 1.121 290 M CA 0.592 55.939 55.300 0.078 0.000 1.019 290 M CB 1.053 33.709 32.600 0.094 0.000 1.485 290 M HN 0.498 nan 8.290 nan 0.000 0.484 291 G N 0.070 108.930 108.800 0.101 0.000 3.180 291 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.197 291 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.197 291 G C 0.987 175.907 174.900 0.033 0.000 1.149 291 G CA 0.258 45.391 45.100 0.055 0.000 0.847 291 G HN 0.407 nan 8.290 nan 0.000 0.469 292 S N 0.235 115.921 115.700 -0.022 0.000 2.474 292 S HA 0.203 4.673 4.470 -0.001 0.000 0.235 292 S C 1.726 176.164 174.600 -0.271 0.000 0.997 292 S CA 1.499 59.591 58.200 -0.180 0.000 0.949 292 S CB -0.411 62.605 63.200 -0.306 0.000 0.766 292 S HN 0.353 nan 8.310 nan 0.000 0.517 293 F N 1.884 121.833 119.950 -0.000 0.000 2.765 293 F HA 0.421 4.948 4.527 -0.001 0.000 0.302 293 F C 1.902 177.705 175.800 0.004 0.000 1.111 293 F CA -0.021 57.979 58.000 -0.001 0.000 1.359 293 F CB -0.109 38.886 39.000 -0.008 0.000 1.097 293 F HN 0.375 nan 8.300 nan 0.000 0.577 294 G N 0.936 109.814 108.800 0.130 0.000 2.143 294 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.248 294 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.248 294 G C -0.085 174.871 174.900 0.093 0.000 0.991 294 G CA 0.067 45.221 45.100 0.089 0.000 0.689 294 G HN 0.300 nan 8.290 nan 0.000 0.522 295 L N 0.120 121.410 121.223 0.112 0.000 2.323 295 L HA 0.873 5.213 4.340 -0.001 0.000 0.265 295 L C 0.484 177.390 176.870 0.059 0.000 1.012 295 L CA -0.401 54.487 54.840 0.079 0.000 0.820 295 L CB 2.357 44.461 42.059 0.074 0.000 1.334 295 L HN 0.462 nan 8.230 nan 0.000 0.427 296 S N -0.873 114.850 115.700 0.038 0.000 2.688 296 S HA 0.536 5.005 4.470 -0.001 0.000 0.275 296 S C -1.297 173.321 174.600 0.030 0.000 1.175 296 S CA -0.807 57.408 58.200 0.025 0.000 0.818 296 S CB 1.610 64.815 63.200 0.007 0.000 1.157 296 S HN 0.523 nan 8.310 nan 0.000 0.482 297 c N 2.869 121.492 118.600 0.039 0.000 2.273 297 c HA 0.560 5.130 4.570 -0.001 0.000 0.328 297 c C -1.182 172.910 174.090 0.004 0.000 1.275 297 c CA -1.169 55.228 56.329 0.114 0.000 1.704 297 c CB 0.821 43.435 42.510 0.172 0.000 2.326 297 c HN 0.759 nan 8.230 nan 0.000 0.517 298 P HA -0.090 nan 4.420 nan 0.000 0.222 298 P C 1.165 178.176 177.300 -0.481 0.000 1.147 298 P CA 1.334 64.144 63.100 -0.482 0.000 0.790 298 P CB 0.047 31.233 31.700 -0.856 0.000 0.780 299 W N 0.211 121.488 121.300 -0.040 0.000 3.180 299 W HA 0.168 4.827 4.660 -0.001 0.000 0.254 299 W C 0.630 177.122 176.519 -0.046 0.000 1.318 299 W CA 0.134 57.451 57.345 -0.046 0.000 1.608 299 W CB -0.524 28.899 29.460 -0.062 0.000 1.124 299 W HN 0.130 nan 8.180 nan 0.000 0.694 300 K N -1.058 119.403 120.400 0.101 0.000 3.467 300 K HA -0.166 4.154 4.320 -0.001 0.000 0.309 300 K C -0.447 176.178 176.600 0.041 0.000 1.350 300 K CA 0.439 56.749 56.287 0.040 0.000 0.934 300 K CB -1.899 30.610 32.500 0.016 0.000 1.312 300 K HN -0.118 nan 8.250 nan 0.000 0.461 301 V N 1.998 121.949 119.914 0.061 0.000 2.350 301 V HA 0.317 4.436 4.120 -0.001 0.000 0.285 301 V C -1.851 174.229 176.094 -0.024 0.000 1.014 301 V CA -1.535 60.769 62.300 0.007 0.000 0.831 301 V CB 1.418 33.236 31.823 -0.009 0.000 1.000 301 V HN -0.033 nan 8.190 nan 0.000 0.433 302 P HA 0.394 nan 4.420 nan 0.000 0.276 302 P C -2.831 174.376 177.300 -0.154 0.000 1.252 302 P CA -2.055 61.003 63.100 -0.071 0.000 0.802 302 P CB 0.283 31.956 31.700 -0.045 0.000 1.035 303 P HA 0.244 nan 4.420 nan 0.000 0.269 303 P C -0.273 176.922 177.300 -0.174 0.000 1.215 303 P CA 0.201 63.089 63.100 -0.352 0.000 0.780 303 P CB 0.547 31.987 31.700 -0.433 0.000 0.898 304 R N 0.368 120.775 120.500 -0.156 0.000 2.686 304 R HA 0.415 4.755 4.340 -0.001 0.000 0.286 304 R C -0.296 176.060 176.300 0.093 0.000 0.969 304 R CA -0.678 55.405 56.100 -0.029 0.000 0.898 304 R CB 1.324 31.585 30.300 -0.065 0.000 1.183 304 R HN 0.351 nan 8.270 nan 0.000 0.456 305 T N 3.918 118.523 114.554 0.085 0.000 2.908 305 T HA 0.038 4.387 4.350 -0.001 0.000 0.301 305 T C 0.730 175.420 174.700 -0.016 0.000 1.019 305 T CA 0.132 62.258 62.100 0.043 0.000 1.152 305 T CB 0.125 68.998 68.868 0.009 0.000 0.966 305 T HN 0.188 nan 8.240 nan 0.000 0.540 306 I N 4.009 124.522 120.570 -0.096 0.000 2.496 306 I HA 0.240 4.410 4.170 -0.001 0.000 0.285 306 I C 1.007 177.075 176.117 -0.083 0.000 1.080 306 I CA 0.068 61.311 61.300 -0.096 0.000 1.404 306 I CB 0.218 38.120 38.000 -0.163 0.000 1.403 306 I HN 0.761 nan 8.210 nan 0.000 0.539 307 S N 3.795 119.457 115.700 -0.063 0.000 2.697 307 S HA 0.441 4.910 4.470 -0.001 0.000 0.289 307 S C 0.381 174.950 174.600 -0.053 0.000 1.149 307 S CA -0.764 57.407 58.200 -0.049 0.000 0.850 307 S CB 2.085 65.264 63.200 -0.035 0.000 1.151 307 S HN 0.505 nan 8.310 nan 0.000 0.491 308 D N 0.822 121.202 120.400 -0.035 0.000 2.221 308 D HA -0.139 4.501 4.640 -0.001 0.000 0.204 308 D C 1.788 178.063 176.300 -0.041 0.000 0.982 308 D CA 1.717 55.699 54.000 -0.031 0.000 0.857 308 D CB -0.185 40.611 40.800 -0.007 0.000 0.934 308 D HN 0.810 nan 8.370 nan 0.000 0.475 309 Q N 0.763 120.542 119.800 -0.035 0.000 2.424 309 Q HA -0.063 4.276 4.340 -0.001 0.000 0.204 309 Q C 0.853 176.828 176.000 -0.042 0.000 0.933 309 Q CA 0.739 56.523 55.803 -0.032 0.000 0.929 309 Q CB 0.101 28.827 28.738 -0.020 0.000 1.037 309 Q HN 0.188 nan 8.270 nan 0.000 0.511 310 N N -0.565 118.102 118.700 -0.055 0.000 2.181 310 N HA -0.061 4.678 4.740 -0.001 0.000 0.207 310 N C 1.309 176.767 175.510 -0.087 0.000 1.182 310 N CA 0.373 53.389 53.050 -0.056 0.000 0.893 310 N CB 0.107 38.568 38.487 -0.044 0.000 1.032 310 N HN 0.062 nan 8.380 nan 0.000 0.513 311 V N 0.424 120.250 119.914 -0.147 0.000 2.515 311 V HA 0.006 4.125 4.120 -0.001 0.000 0.250 311 V C 2.213 178.088 176.094 -0.365 0.000 1.058 311 V CA 1.902 64.062 62.300 -0.234 0.000 1.064 311 V CB -0.812 30.852 31.823 -0.265 0.000 0.675 311 V HN 0.419 nan 8.190 nan 0.000 0.461 312 A N -0.067 122.518 122.820 -0.392 0.000 1.877 312 A HA -0.029 4.291 4.320 -0.001 0.000 0.216 312 A C 2.429 180.046 177.584 0.055 0.000 1.186 312 A CA 2.105 54.044 52.037 -0.164 0.000 0.620 312 A CB -1.018 17.986 19.000 0.006 0.000 0.822 312 A HN 0.791 nan 8.150 nan 0.000 0.443 313 A N -0.498 122.332 122.820 0.017 0.000 1.898 313 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 313 A C 2.236 179.855 177.584 0.058 0.000 1.181 313 A CA 1.362 53.427 52.037 0.047 0.000 0.620 313 A CB -0.436 18.575 19.000 0.018 0.000 0.819 313 A HN 0.408 nan 8.150 nan 0.000 0.442 314 R N 0.085 120.611 120.500 0.043 0.000 2.081 314 R HA -0.049 4.290 4.340 -0.001 0.000 0.235 314 R C 2.396 178.743 176.300 0.078 0.000 1.131 314 R CA 1.536 57.716 56.100 0.133 0.000 0.960 314 R CB -0.941 29.431 30.300 0.120 0.000 0.856 314 R HN 0.532 nan 8.270 nan 0.000 0.436 315 S N 1.289 116.985 115.700 -0.007 0.000 2.368 315 S HA -0.110 4.359 4.470 -0.001 0.000 0.224 315 S C 1.317 175.798 174.600 -0.199 0.000 1.029 315 S CA 1.200 59.303 58.200 -0.161 0.000 0.988 315 S CB -0.198 63.048 63.200 0.076 0.000 0.838 315 S HN 0.258 nan 8.310 nan 0.000 0.462 316 D N 1.678 122.155 120.400 0.128 0.000 2.126 316 D HA -0.119 4.521 4.640 -0.001 0.000 0.190 316 D C 1.891 178.191 176.300 0.001 0.000 1.001 316 D CA 1.023 55.148 54.000 0.208 0.000 0.841 316 D CB -0.464 40.457 40.800 0.201 0.000 0.949 316 D HN 0.288 nan 8.370 nan 0.000 0.446 317 L N -0.150 121.052 121.223 -0.035 0.000 2.056 317 L HA -0.156 4.184 4.340 -0.001 0.000 0.207 317 L C 2.412 179.104 176.870 -0.297 0.000 1.078 317 L CA 0.467 55.264 54.840 -0.073 0.000 0.749 317 L CB -0.193 41.895 42.059 0.049 0.000 0.901 317 L HN 0.077 nan 8.230 nan 0.000 0.433 318 L N -0.937 119.938 121.223 -0.581 0.000 2.072 318 L HA -0.109 4.230 4.340 -0.001 0.000 0.205 318 L C 2.303 178.467 176.870 -1.177 0.000 1.079 318 L CA 1.524 55.685 54.840 -1.132 0.000 0.752 318 L CB -0.299 40.787 42.059 -1.621 0.000 0.906 318 L HN -0.087 nan 8.230 nan 0.000 0.436 319 V N -0.002 119.338 119.914 -0.955 0.000 2.407 319 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 319 V C 2.299 178.204 176.094 -0.315 0.000 1.055 319 V CA 1.881 63.767 62.300 -0.691 0.000 1.049 319 V CB -0.791 30.597 31.823 -0.725 0.000 0.662 319 V HN 0.587 nan 8.190 nan 0.000 0.455 320 D N -0.718 119.566 120.400 -0.192 0.000 2.117 320 D HA -0.212 4.428 4.640 -0.001 0.000 0.197 320 D C 2.223 178.494 176.300 -0.049 0.000 0.987 320 D CA 1.202 55.204 54.000 0.004 0.000 0.829 320 D CB -0.006 40.858 40.800 0.107 0.000 0.961 320 D HN 0.299 nan 8.370 nan 0.000 0.460 321 Q N -0.500 119.201 119.800 -0.164 0.000 2.050 321 Q HA -0.140 4.199 4.340 -0.001 0.000 0.202 321 Q C 2.144 178.160 176.000 0.027 0.000 0.980 321 Q CA 1.017 56.750 55.803 -0.117 0.000 0.840 321 Q CB -0.621 27.985 28.738 -0.220 0.000 0.898 321 Q HN 0.555 nan 8.270 nan 0.000 0.424 322 W N 1.465 122.656 121.300 -0.183 0.000 2.358 322 W HA -0.094 4.566 4.660 -0.001 0.000 0.303 322 W C 2.073 178.475 176.519 -0.195 0.000 1.208 322 W CA 0.716 57.955 57.345 -0.177 0.000 1.274 322 W CB -0.615 28.709 29.460 -0.226 0.000 1.138 322 W HN 0.214 nan 8.180 nan 0.000 0.515 323 K N 0.127 120.486 120.400 -0.068 0.000 2.148 323 K HA -0.127 4.192 4.320 -0.001 0.000 0.204 323 K C 1.932 178.392 176.600 -0.234 0.000 1.050 323 K CA 1.122 57.222 56.287 -0.311 0.000 0.942 323 K CB -0.166 31.819 32.500 -0.858 0.000 0.724 323 K HN 0.081 nan 8.250 nan 0.000 0.446 324 K N 0.961 121.307 120.400 -0.089 0.000 2.025 324 K HA -0.138 4.181 4.320 -0.001 0.000 0.207 324 K C 2.089 178.764 176.600 0.124 0.000 1.049 324 K CA 1.154 57.514 56.287 0.122 0.000 0.933 324 K CB 0.001 32.582 32.500 0.134 0.000 0.714 324 K HN 0.000 nan 8.250 nan 0.000 0.438 325 K N 0.821 121.298 120.400 0.130 0.000 2.103 325 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 325 K C 1.998 178.724 176.600 0.211 0.000 1.048 325 K CA 1.286 57.679 56.287 0.177 0.000 0.930 325 K CB -0.087 32.535 32.500 0.202 0.000 0.716 325 K HN 0.142 nan 8.250 nan 0.000 0.444 326 A N 1.057 123.982 122.820 0.176 0.000 2.070 326 A HA -0.121 4.199 4.320 -0.001 0.000 0.220 326 A C 1.683 179.442 177.584 0.292 0.000 1.159 326 A CA 1.214 53.394 52.037 0.238 0.000 0.656 326 A CB -0.283 18.814 19.000 0.162 0.000 0.800 326 A HN 0.289 nan 8.150 nan 0.000 0.453 327 E N 0.012 120.360 120.200 0.246 0.000 2.338 327 E HA -0.072 4.278 4.350 -0.001 0.000 0.197 327 E C 1.541 178.272 176.600 0.219 0.000 1.007 327 E CA 0.596 57.151 56.400 0.257 0.000 0.849 327 E CB -0.214 29.662 29.700 0.294 0.000 0.774 327 E HN 0.720 nan 8.360 nan 0.000 0.506 328 L N -0.565 120.747 121.223 0.147 0.000 2.599 328 L HA 0.039 4.379 4.340 -0.001 0.000 0.230 328 L C 0.168 176.837 176.870 -0.335 0.000 1.141 328 L CA 0.269 55.059 54.840 -0.083 0.000 0.877 328 L CB -0.072 41.811 42.059 -0.294 0.000 1.009 328 L HN -0.003 nan 8.230 nan 0.000 0.447 329 Y N -1.791 118.598 120.300 0.148 0.000 2.634 329 Y HA 0.377 4.927 4.550 -0.001 0.000 0.340 329 Y C 1.049 177.067 175.900 0.197 0.000 1.058 329 Y CA -0.989 57.217 58.100 0.177 0.000 1.081 329 Y CB 1.244 39.820 38.460 0.193 0.000 1.295 329 Y HN -0.295 nan 8.280 nan 0.000 0.487 330 R N -0.573 120.174 120.500 0.411 0.000 2.265 330 R HA 0.106 4.445 4.340 -0.001 0.000 0.194 330 R C 0.265 176.697 176.300 0.220 0.000 0.931 330 R CA 0.701 56.947 56.100 0.243 0.000 1.032 330 R CB 0.366 30.743 30.300 0.128 0.000 0.980 330 R HN 0.754 nan 8.270 nan 0.000 0.497 331 T N -0.891 113.834 114.554 0.286 0.000 2.922 331 T HA 0.115 4.464 4.350 -0.001 0.000 0.281 331 T C 0.576 175.411 174.700 0.225 0.000 1.005 331 T CA -0.946 61.286 62.100 0.219 0.000 0.982 331 T CB 1.229 70.206 68.868 0.183 0.000 1.158 331 T HN 0.067 nan 8.240 nan 0.000 0.566 332 N N 0.066 118.867 118.700 0.168 0.000 2.327 332 N HA 0.155 4.894 4.740 -0.001 0.000 0.231 332 N C -0.746 174.753 175.510 -0.019 0.000 1.130 332 N CA -0.389 52.718 53.050 0.096 0.000 0.845 332 N CB -0.154 38.273 38.487 -0.100 0.000 1.073 332 N HN 0.379 nan 8.380 nan 0.000 0.496 333 V N 1.221 121.154 119.914 0.032 0.000 2.409 333 V HA 0.416 4.536 4.120 -0.001 0.000 0.291 333 V C -0.649 175.531 176.094 0.142 0.000 1.020 333 V CA -0.968 61.350 62.300 0.031 0.000 0.848 333 V CB 1.542 33.360 31.823 -0.009 0.000 0.990 333 V HN 0.188 nan 8.190 nan 0.000 0.430 334 L N 5.777 127.024 121.223 0.040 0.000 2.341 334 L HA 0.691 5.030 4.340 -0.001 0.000 0.278 334 L C -0.857 175.874 176.870 -0.231 0.000 1.005 334 L CA -0.490 54.293 54.840 -0.095 0.000 0.818 334 L CB 1.666 43.567 42.059 -0.263 0.000 1.259 334 L HN 0.629 nan 8.230 nan 0.000 0.418 335 L N 6.365 127.236 121.223 -0.586 0.000 2.265 335 L HA 0.549 4.888 4.340 -0.001 0.000 0.288 335 L C -1.000 175.571 176.870 -0.499 0.000 1.058 335 L CA 0.165 54.499 54.840 -0.844 0.000 0.809 335 L CB 0.726 41.781 42.059 -1.674 0.000 1.179 335 L HN 0.439 nan 8.230 nan 0.000 0.429 336 I N 7.454 127.816 120.570 -0.346 0.000 2.502 336 I HA 0.336 4.505 4.170 -0.001 0.000 0.276 336 I C -2.283 173.808 176.117 -0.044 0.000 1.057 336 I CA -2.044 59.146 61.300 -0.184 0.000 1.163 336 I CB 1.038 38.899 38.000 -0.233 0.000 1.288 336 I HN 0.423 nan 8.210 nan 0.000 0.479 337 P HA 0.136 nan 4.420 nan 0.000 0.269 337 P C -0.454 177.026 177.300 0.299 0.000 1.209 337 P CA -0.196 63.036 63.100 0.220 0.000 0.776 337 P CB 0.809 32.675 31.700 0.277 0.000 0.876 338 L N 2.945 124.388 121.223 0.366 0.000 2.454 338 L HA 0.762 5.102 4.340 -0.001 0.000 0.258 338 L C -0.158 176.785 176.870 0.121 0.000 1.025 338 L CA 0.373 55.349 54.840 0.227 0.000 0.901 338 L CB 0.537 42.661 42.059 0.109 0.000 1.210 338 L HN 0.609 nan 8.230 nan 0.000 0.457 339 G N 1.728 110.478 108.800 -0.083 0.000 2.349 339 G HA2 0.492 4.451 3.960 -0.001 0.000 0.294 339 G HA3 0.492 4.451 3.960 -0.001 0.000 0.294 339 G C -2.227 172.544 174.900 -0.215 0.000 1.380 339 G CA -0.239 44.534 45.100 -0.546 0.000 0.811 339 G HN 0.413 nan 8.290 nan 0.000 0.519 340 D N -1.697 118.641 120.400 -0.104 0.000 2.879 340 D HA 0.307 4.946 4.640 -0.001 0.000 0.346 340 D C -1.501 174.936 176.300 0.229 0.000 1.390 340 D CA -0.455 53.672 54.000 0.213 0.000 0.838 340 D CB 1.417 42.301 40.800 0.140 0.000 1.416 340 D HN 0.220 nan 8.370 nan 0.000 0.493 341 D N 0.408 121.006 120.400 0.331 0.000 2.450 341 D HA 0.204 4.843 4.640 -0.001 0.000 0.247 341 D C 0.211 176.683 176.300 0.287 0.000 1.162 341 D CA 0.515 54.703 54.000 0.314 0.000 0.879 341 D CB -0.274 40.809 40.800 0.472 0.000 1.163 341 D HN 0.340 nan 8.370 nan 0.000 0.472 342 F N 0.310 120.330 119.950 0.116 0.000 3.090 342 F HA -0.306 4.221 4.527 -0.001 0.000 0.282 342 F C 1.093 176.936 175.800 0.071 0.000 0.923 342 F CA 0.615 58.660 58.000 0.074 0.000 0.977 342 F CB -0.906 38.131 39.000 0.062 0.000 0.954 342 F HN 0.232 nan 8.300 nan 0.000 0.695 343 R N -0.518 120.071 120.500 0.149 0.000 2.580 343 R HA 0.470 4.810 4.340 -0.001 0.000 0.267 343 R C 0.720 177.050 176.300 0.051 0.000 1.125 343 R CA -0.725 55.347 56.100 -0.046 0.000 1.188 343 R CB -0.099 30.059 30.300 -0.237 0.000 1.155 343 R HN 0.180 nan 8.270 nan 0.000 0.586 344 F N -0.677 119.098 119.950 -0.291 0.000 3.071 344 F HA -0.276 4.250 4.527 -0.001 0.000 0.295 344 F C 1.365 177.108 175.800 -0.095 0.000 0.919 344 F CA 1.065 58.686 58.000 -0.632 0.000 1.050 344 F CB -1.082 37.264 39.000 -1.089 0.000 1.040 344 F HN 0.610 nan 8.300 nan 0.000 0.692 345 K N 0.041 120.486 120.400 0.075 0.000 2.063 345 K HA 0.064 4.383 4.320 -0.001 0.000 0.204 345 K C 0.768 177.511 176.600 0.237 0.000 1.039 345 K CA 0.916 57.324 56.287 0.202 0.000 0.957 345 K CB 0.233 32.818 32.500 0.142 0.000 0.764 345 K HN 0.472 nan 8.250 nan 0.000 0.447 346 Q N 0.546 120.455 119.800 0.181 0.000 2.221 346 Q HA 0.171 4.510 4.340 -0.001 0.000 0.242 346 Q C 0.461 176.655 176.000 0.322 0.000 0.940 346 Q CA -0.651 55.280 55.803 0.214 0.000 0.896 346 Q CB 1.157 30.014 28.738 0.198 0.000 1.226 346 Q HN 0.209 nan 8.270 nan 0.000 0.463 347 N N 0.606 119.460 118.700 0.255 0.000 2.149 347 N HA -0.165 4.575 4.740 -0.001 0.000 0.188 347 N C 1.693 177.363 175.510 0.267 0.000 1.019 347 N CA 2.149 55.352 53.050 0.255 0.000 0.857 347 N CB -0.348 38.234 38.487 0.158 0.000 0.997 347 N HN 0.735 nan 8.380 nan 0.000 0.426 348 T N -1.208 113.496 114.554 0.250 0.000 2.915 348 T HA -0.094 4.255 4.350 -0.001 0.000 0.269 348 T C 1.697 176.599 174.700 0.337 0.000 1.071 348 T CA 1.048 63.318 62.100 0.282 0.000 1.132 348 T CB -0.042 68.979 68.868 0.254 0.000 0.878 348 T HN 0.336 nan 8.240 nan 0.000 0.479 349 E N -0.167 120.178 120.200 0.241 0.000 2.072 349 E HA -0.090 4.260 4.350 -0.001 0.000 0.190 349 E C 1.779 178.283 176.600 -0.160 0.000 0.982 349 E CA 0.676 56.981 56.400 -0.159 0.000 0.803 349 E CB -0.238 29.203 29.700 -0.432 0.000 0.755 349 E HN 0.693 nan 8.360 nan 0.000 0.453 350 W N 1.819 123.037 121.300 -0.137 0.000 2.318 350 W HA -0.212 4.448 4.660 -0.001 0.000 0.313 350 W C 2.151 178.516 176.519 -0.256 0.000 1.221 350 W CA 1.356 58.518 57.345 -0.304 0.000 1.266 350 W CB -0.360 28.586 29.460 -0.857 0.000 1.150 350 W HN 0.187 nan 8.180 nan 0.000 0.496 351 D N -0.552 119.941 120.400 0.156 0.000 2.097 351 D HA -0.174 4.465 4.640 -0.001 0.000 0.195 351 D C 2.279 178.674 176.300 0.158 0.000 0.989 351 D CA 1.509 55.652 54.000 0.238 0.000 0.827 351 D CB -0.982 39.961 40.800 0.237 0.000 0.966 351 D HN 0.029 nan 8.370 nan 0.000 0.456 352 V N 0.880 120.870 119.914 0.127 0.000 2.427 352 V HA -0.201 3.919 4.120 -0.001 0.000 0.248 352 V C 2.195 178.323 176.094 0.057 0.000 1.051 352 V CA 1.541 63.895 62.300 0.090 0.000 1.048 352 V CB -0.063 31.860 31.823 0.167 0.000 0.666 352 V HN 0.154 nan 8.190 nan 0.000 0.456 353 Q N -0.322 119.547 119.800 0.116 0.000 2.049 353 Q HA -0.178 4.162 4.340 -0.001 0.000 0.198 353 Q C 2.345 178.552 176.000 0.345 0.000 0.971 353 Q CA 1.806 57.780 55.803 0.286 0.000 0.833 353 Q CB -0.450 28.436 28.738 0.246 0.000 0.896 353 Q HN 0.612 nan 8.270 nan 0.000 0.434 354 R N 0.480 121.150 120.500 0.282 0.000 2.073 354 R HA -0.100 4.240 4.340 -0.001 0.000 0.234 354 R C 2.218 178.698 176.300 0.301 0.000 1.134 354 R CA 1.304 57.628 56.100 0.373 0.000 0.952 354 R CB -0.042 30.480 30.300 0.370 0.000 0.850 354 R HN 0.052 nan 8.270 nan 0.000 0.433 355 V N 1.835 121.841 119.914 0.153 0.000 2.427 355 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 355 V C 1.966 178.005 176.094 -0.091 0.000 1.051 355 V CA 1.739 64.074 62.300 0.059 0.000 1.048 355 V CB -0.558 31.289 31.823 0.039 0.000 0.666 355 V HN 0.433 nan 8.190 nan 0.000 0.456 356 N N -0.659 117.870 118.700 -0.284 0.000 2.142 356 N HA -0.159 4.581 4.740 -0.001 0.000 0.186 356 N C 1.854 177.045 175.510 -0.532 0.000 1.023 356 N CA 1.583 54.243 53.050 -0.650 0.000 0.852 356 N CB -0.282 37.173 38.487 -1.720 0.000 0.998 356 N HN 0.510 nan 8.380 nan 0.000 0.424 357 Y N 1.931 122.035 120.300 -0.326 0.000 2.242 357 Y HA -0.073 4.476 4.550 -0.001 0.000 0.291 357 Y C 2.367 177.762 175.900 -0.842 0.000 1.137 357 Y CA 1.018 58.804 58.100 -0.524 0.000 1.181 357 Y CB -0.096 38.147 38.460 -0.361 0.000 0.989 357 Y HN 0.124 nan 8.280 nan 0.000 0.527 358 E N -0.247 119.824 120.200 -0.215 0.000 2.118 358 E HA -0.234 4.115 4.350 -0.001 0.000 0.195 358 E C 2.225 178.778 176.600 -0.080 0.000 0.992 358 E CA 1.103 57.455 56.400 -0.081 0.000 0.804 358 E CB -0.124 29.655 29.700 0.132 0.000 0.741 358 E HN 0.445 nan 8.360 nan 0.000 0.458 359 R N 0.279 120.710 120.500 -0.114 0.000 2.075 359 R HA -0.099 4.241 4.340 -0.001 0.000 0.232 359 R C 2.454 178.725 176.300 -0.048 0.000 1.126 359 R CA 0.906 56.967 56.100 -0.065 0.000 0.963 359 R CB -0.258 29.982 30.300 -0.100 0.000 0.858 359 R HN 0.164 nan 8.270 nan 0.000 0.435 360 L N -0.409 120.716 121.223 -0.162 0.000 2.046 360 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 360 L C 2.122 179.041 176.870 0.081 0.000 1.077 360 L CA 1.145 55.931 54.840 -0.091 0.000 0.747 360 L CB -0.410 41.511 42.059 -0.230 0.000 0.896 360 L HN 0.082 nan 8.230 nan 0.000 0.432 361 F N 0.231 120.202 119.950 0.035 0.000 2.134 361 F HA -0.202 4.325 4.527 -0.001 0.000 0.299 361 F C 2.628 178.439 175.800 0.017 0.000 1.097 361 F CA 1.248 59.254 58.000 0.010 0.000 1.264 361 F CB -0.965 37.999 39.000 -0.061 0.000 1.001 361 F HN 0.206 nan 8.300 nan 0.000 0.479 362 E N -0.643 119.687 120.200 0.217 0.000 2.077 362 E HA -0.295 4.054 4.350 -0.001 0.000 0.193 362 E C 2.214 178.899 176.600 0.142 0.000 0.989 362 E CA 1.544 58.032 56.400 0.146 0.000 0.800 362 E CB -0.248 29.522 29.700 0.116 0.000 0.746 362 E HN 0.500 nan 8.360 nan 0.000 0.452 363 H N 0.258 119.376 119.070 0.079 0.000 2.299 363 H HA -0.064 4.492 4.556 -0.001 0.000 0.302 363 H C 2.061 177.471 175.328 0.137 0.000 1.078 363 H CA 2.256 58.362 56.048 0.096 0.000 1.323 363 H CB -0.208 29.607 29.762 0.089 0.000 1.381 363 H HN 0.156 nan 8.280 nan 0.000 0.498 364 I N 0.421 121.062 120.570 0.119 0.000 2.163 364 I HA -0.287 3.882 4.170 -0.001 0.000 0.243 364 I C 1.641 177.783 176.117 0.042 0.000 1.085 364 I CA 1.385 62.716 61.300 0.052 0.000 1.347 364 I CB -0.294 37.673 38.000 -0.054 0.000 1.044 364 I HN 0.363 nan 8.210 nan 0.000 0.408 365 N N 0.258 118.974 118.700 0.028 0.000 2.459 365 N HA -0.092 4.647 4.740 -0.001 0.000 0.181 365 N C 1.751 177.240 175.510 -0.035 0.000 1.046 365 N CA 1.367 54.408 53.050 -0.016 0.000 0.904 365 N CB -0.188 38.284 38.487 -0.026 0.000 0.964 365 N HN 0.395 nan 8.380 nan 0.000 0.444 366 S N -1.000 114.669 115.700 -0.050 0.000 2.556 366 S HA 0.158 4.628 4.470 -0.001 0.000 0.216 366 S C 0.454 174.982 174.600 -0.119 0.000 0.970 366 S CA -0.259 57.901 58.200 -0.066 0.000 0.912 366 S CB 0.319 63.494 63.200 -0.041 0.000 0.790 366 S HN -0.031 nan 8.310 nan 0.000 0.504 367 Q N 1.238 120.931 119.800 -0.179 0.000 2.431 367 Q HA 0.543 4.882 4.340 -0.001 0.000 0.249 367 Q C 0.825 176.637 176.000 -0.312 0.000 1.025 367 Q CA 0.050 55.676 55.803 -0.295 0.000 0.835 367 Q CB 1.365 29.782 28.738 -0.534 0.000 1.207 367 Q HN 0.426 nan 8.270 nan 0.000 0.490 368 A N 2.649 125.367 122.820 -0.171 0.000 1.978 368 A HA -0.254 4.066 4.320 -0.001 0.000 0.220 368 A C 1.599 179.101 177.584 -0.136 0.000 1.170 368 A CA 2.068 54.037 52.037 -0.114 0.000 0.636 368 A CB -0.684 18.282 19.000 -0.056 0.000 0.810 368 A HN 0.879 nan 8.150 nan 0.000 0.448 369 H N -3.207 115.773 119.070 -0.150 0.000 2.489 369 H HA -0.043 4.513 4.556 -0.001 0.000 0.293 369 H C 1.304 176.565 175.328 -0.113 0.000 1.066 369 H CA 1.522 57.473 56.048 -0.162 0.000 1.305 369 H CB -0.621 28.989 29.762 -0.254 0.000 1.386 369 H HN 0.422 nan 8.280 nan 0.000 0.551 370 F N 0.878 120.577 119.950 -0.418 0.000 2.367 370 F HA 0.034 4.560 4.527 -0.001 0.000 0.298 370 F C 0.740 176.495 175.800 -0.074 0.000 1.094 370 F CA 0.546 58.440 58.000 -0.177 0.000 1.409 370 F CB -0.323 38.532 39.000 -0.243 0.000 1.064 370 F HN 0.159 nan 8.300 nan 0.000 0.528 371 N N 0.683 119.431 118.700 0.080 0.000 2.725 371 N HA -0.169 4.570 4.740 -0.001 0.000 0.251 371 N C -0.972 174.519 175.510 -0.031 0.000 1.031 371 N CA 0.449 53.523 53.050 0.039 0.000 0.720 371 N CB -1.448 37.108 38.487 0.115 0.000 0.930 371 N HN 0.034 nan 8.380 nan 0.000 0.543 372 V N 0.590 120.481 119.914 -0.038 0.000 2.735 372 V HA 0.407 4.527 4.120 -0.001 0.000 0.310 372 V C 0.150 176.165 176.094 -0.133 0.000 1.061 372 V CA -0.668 61.560 62.300 -0.119 0.000 0.913 372 V CB 2.480 34.264 31.823 -0.064 0.000 1.005 372 V HN 0.178 nan 8.190 nan 0.000 0.428 373 Q N 2.989 122.654 119.800 -0.224 0.000 2.339 373 Q HA 0.757 5.097 4.340 -0.001 0.000 0.268 373 Q C -0.811 174.938 176.000 -0.418 0.000 1.027 373 Q CA -0.143 55.502 55.803 -0.263 0.000 0.759 373 Q CB 1.626 30.211 28.738 -0.255 0.000 1.244 373 Q HN 0.998 nan 8.270 nan 0.000 0.464 374 A N 4.272 126.834 122.820 -0.431 0.000 2.355 374 A HA 0.895 5.214 4.320 -0.001 0.000 0.324 374 A C -1.185 175.707 177.584 -1.153 0.000 1.117 374 A CA -0.511 51.094 52.037 -0.720 0.000 0.785 374 A CB 1.192 19.960 19.000 -0.387 0.000 1.254 374 A HN 0.806 nan 8.150 nan 0.000 0.453 375 Q N 0.626 119.638 119.800 -1.313 0.000 2.575 375 Q HA 0.568 4.907 4.340 -0.001 0.000 0.290 375 Q C -1.646 173.902 176.000 -0.753 0.000 0.963 375 Q CA -0.825 54.264 55.803 -1.190 0.000 0.783 375 Q CB 0.693 29.111 28.738 -0.533 0.000 1.467 375 Q HN 0.396 nan 8.270 nan 0.000 0.402 376 F N 0.502 120.364 119.950 -0.148 0.000 2.506 376 F HA 0.624 5.150 4.527 -0.001 0.000 0.351 376 F C 1.151 176.998 175.800 0.080 0.000 1.136 376 F CA 1.384 59.426 58.000 0.070 0.000 1.298 376 F CB 1.069 40.168 39.000 0.164 0.000 1.145 376 F HN 0.756 nan 8.300 nan 0.000 0.593 377 G N 0.195 109.178 108.800 0.304 0.000 2.727 377 G HA2 0.609 4.568 3.960 -0.001 0.000 0.289 377 G HA3 0.609 4.568 3.960 -0.001 0.000 0.289 377 G C -1.092 173.806 174.900 -0.004 0.000 1.418 377 G CA -0.615 44.598 45.100 0.188 0.000 0.818 377 G HN 0.714 nan 8.290 nan 0.000 0.486 378 T N -1.928 112.543 114.554 -0.138 0.000 2.937 378 T HA 0.475 4.824 4.350 -0.001 0.000 0.283 378 T C 1.280 175.817 174.700 -0.271 0.000 1.012 378 T CA -0.457 61.524 62.100 -0.199 0.000 0.997 378 T CB 1.518 70.285 68.868 -0.168 0.000 1.136 378 T HN 0.558 nan 8.240 nan 0.000 0.551 379 L N 0.512 121.579 121.223 -0.261 0.000 2.046 379 L HA 0.032 4.372 4.340 -0.001 0.000 0.208 379 L C 2.764 179.588 176.870 -0.077 0.000 1.077 379 L CA 1.976 56.693 54.840 -0.206 0.000 0.747 379 L CB -1.112 40.870 42.059 -0.128 0.000 0.896 379 L HN 0.895 nan 8.230 nan 0.000 0.432 380 Q N -0.114 119.669 119.800 -0.030 0.000 2.124 380 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 380 Q C 2.060 177.993 176.000 -0.111 0.000 0.977 380 Q CA 1.900 57.722 55.803 0.032 0.000 0.850 380 Q CB -0.148 28.584 28.738 -0.009 0.000 0.901 380 Q HN 0.632 nan 8.270 nan 0.000 0.429 381 E N -1.164 118.872 120.200 -0.274 0.000 2.077 381 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 381 E C 1.666 177.812 176.600 -0.756 0.000 0.989 381 E CA 1.146 57.257 56.400 -0.482 0.000 0.800 381 E CB -0.305 29.019 29.700 -0.626 0.000 0.746 381 E HN 0.475 nan 8.360 nan 0.000 0.452 382 Y N 0.635 120.383 120.300 -0.920 0.000 2.097 382 Y HA -0.280 4.269 4.550 -0.001 0.000 0.282 382 Y C 1.885 177.490 175.900 -0.492 0.000 1.152 382 Y CA 1.646 59.254 58.100 -0.819 0.000 1.136 382 Y CB -0.472 37.531 38.460 -0.762 0.000 0.975 382 Y HN -0.060 nan 8.280 nan 0.000 0.498 383 F N 0.873 120.565 119.950 -0.429 0.000 2.186 383 F HA -0.164 4.362 4.527 -0.001 0.000 0.299 383 F C 2.234 177.808 175.800 -0.377 0.000 1.090 383 F CA 1.691 59.416 58.000 -0.459 0.000 1.307 383 F CB -0.828 38.102 39.000 -0.117 0.000 1.019 383 F HN 0.099 nan 8.300 nan 0.000 0.489 384 D N 0.056 120.413 120.400 -0.072 0.000 2.123 384 D HA -0.172 4.467 4.640 -0.001 0.000 0.196 384 D C 2.351 178.581 176.300 -0.118 0.000 0.992 384 D CA 1.558 55.522 54.000 -0.060 0.000 0.833 384 D CB -0.585 40.167 40.800 -0.080 0.000 0.954 384 D HN 0.245 nan 8.370 nan 0.000 0.455 385 A N 0.401 123.094 122.820 -0.211 0.000 1.929 385 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 385 A C 2.515 179.980 177.584 -0.199 0.000 1.176 385 A CA 0.828 52.787 52.037 -0.130 0.000 0.628 385 A CB -0.587 18.418 19.000 0.008 0.000 0.816 385 A HN 0.131 nan 8.150 nan 0.000 0.444 386 V N -0.097 119.557 119.914 -0.433 0.000 2.295 386 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 386 V C 2.402 178.301 176.094 -0.325 0.000 1.049 386 V CA 2.120 64.157 62.300 -0.439 0.000 1.024 386 V CB -0.994 30.381 31.823 -0.747 0.000 0.648 386 V HN 0.650 nan 8.190 nan 0.000 0.447 387 H N -0.347 118.606 119.070 -0.196 0.000 2.462 387 H HA -0.048 4.507 4.556 -0.001 0.000 0.292 387 H C 2.403 177.694 175.328 -0.061 0.000 1.049 387 H CA 1.183 57.147 56.048 -0.139 0.000 1.334 387 H CB -0.028 29.613 29.762 -0.202 0.000 1.404 387 H HN 0.559 nan 8.280 nan 0.000 0.544 388 Q N 0.303 120.123 119.800 0.034 0.000 2.084 388 Q HA -0.071 4.268 4.340 -0.001 0.000 0.202 388 Q C 2.535 178.554 176.000 0.032 0.000 0.978 388 Q CA 1.296 57.114 55.803 0.026 0.000 0.844 388 Q CB 0.008 28.750 28.738 0.006 0.000 0.898 388 Q HN 0.397 nan 8.270 nan 0.000 0.426 389 A N 1.085 123.919 122.820 0.024 0.000 1.902 389 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 389 A C 1.939 179.556 177.584 0.055 0.000 1.181 389 A CA 1.574 53.639 52.037 0.046 0.000 0.623 389 A CB -0.511 18.519 19.000 0.051 0.000 0.818 389 A HN 0.446 nan 8.150 nan 0.000 0.443 390 E N -0.185 120.065 120.200 0.082 0.000 2.077 390 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 390 E C 2.204 178.844 176.600 0.068 0.000 0.989 390 E CA 1.028 57.484 56.400 0.093 0.000 0.800 390 E CB -0.138 29.728 29.700 0.277 0.000 0.746 390 E HN 0.578 nan 8.360 nan 0.000 0.452 391 R N -0.229 120.314 120.500 0.071 0.000 2.148 391 R HA -0.024 4.315 4.340 -0.001 0.000 0.227 391 R C 2.057 178.376 176.300 0.031 0.000 1.103 391 R CA 0.842 56.970 56.100 0.046 0.000 0.983 391 R CB -0.109 30.213 30.300 0.036 0.000 0.874 391 R HN 0.120 nan 8.270 nan 0.000 0.451 392 A N 0.206 123.046 122.820 0.033 0.000 2.235 392 A HA 0.192 4.512 4.320 -0.001 0.000 0.208 392 A C 1.287 178.884 177.584 0.022 0.000 1.172 392 A CA 0.763 52.817 52.037 0.029 0.000 0.786 392 A CB -0.152 18.870 19.000 0.038 0.000 0.804 392 A HN 0.446 nan 8.150 nan 0.000 0.479 393 G N -1.199 107.610 108.800 0.016 0.000 2.136 393 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.242 393 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.242 393 G C 0.730 175.624 174.900 -0.009 0.000 0.989 393 G CA 0.579 45.679 45.100 0.001 0.000 0.682 393 G HN 0.516 nan 8.290 nan 0.000 0.522 394 Q N -0.626 119.175 119.800 0.001 0.000 2.311 394 Q HA 0.475 4.814 4.340 -0.001 0.000 0.203 394 Q C 1.180 177.156 176.000 -0.039 0.000 0.954 394 Q CA 1.371 57.179 55.803 0.008 0.000 0.885 394 Q CB 0.058 28.834 28.738 0.063 0.000 0.963 394 Q HN 1.257 nan 8.270 nan 0.000 0.471 395 A N 0.783 123.536 122.820 -0.112 0.000 2.604 395 A HA 0.451 4.771 4.320 -0.001 0.000 0.295 395 A C -1.586 175.772 177.584 -0.378 0.000 1.067 395 A CA -0.849 51.025 52.037 -0.272 0.000 0.683 395 A CB 1.322 20.088 19.000 -0.390 0.000 1.281 395 A HN 0.220 nan 8.150 nan 0.000 0.407 396 E N 0.949 120.905 120.200 -0.408 0.000 2.293 396 E HA 0.739 5.088 4.350 -0.001 0.000 0.270 396 E C -1.828 174.557 176.600 -0.359 0.000 0.879 396 E CA -0.550 55.674 56.400 -0.294 0.000 0.756 396 E CB 1.665 31.315 29.700 -0.083 0.000 1.208 396 E HN 0.334 nan 8.360 nan 0.000 0.428 397 F N 1.931 121.989 119.950 0.179 0.000 2.458 397 F HA 0.436 4.963 4.527 -0.000 0.000 0.330 397 F C -1.873 174.030 175.800 0.173 0.000 1.082 397 F CA -2.260 55.870 58.000 0.217 0.000 0.995 397 F CB 1.251 40.463 39.000 0.354 0.000 1.170 397 F HN 0.343 nan 8.300 nan 0.000 0.478 398 P HA 0.193 nan 4.420 nan 0.000 0.274 398 P C -0.650 176.794 177.300 0.239 0.000 1.237 398 P CA -0.378 62.854 63.100 0.221 0.000 0.793 398 P CB 0.902 32.699 31.700 0.161 0.000 0.977 399 T N -0.737 113.908 114.554 0.152 0.000 2.928 399 T HA 0.682 5.031 4.350 -0.001 0.000 0.284 399 T C -0.291 174.440 174.700 0.052 0.000 1.008 399 T CA -0.797 61.386 62.100 0.138 0.000 1.057 399 T CB 1.027 69.954 68.868 0.097 0.000 1.018 399 T HN 0.456 nan 8.240 nan 0.000 0.493 400 L N 1.698 122.953 121.223 0.054 0.000 2.445 400 L HA 0.731 5.071 4.340 -0.001 0.000 0.262 400 L C -0.698 176.164 176.870 -0.013 0.000 0.974 400 L CA -0.442 54.316 54.840 -0.137 0.000 0.822 400 L CB 2.198 43.925 42.059 -0.553 0.000 1.339 400 L HN 1.115 nan 8.230 nan 0.000 0.409 401 S N 2.365 118.012 115.700 -0.089 0.000 2.632 401 S HA 1.061 5.531 4.470 -0.001 0.000 0.289 401 S C -0.323 174.205 174.600 -0.121 0.000 1.115 401 S CA -0.047 58.161 58.200 0.014 0.000 0.889 401 S CB 2.029 65.201 63.200 -0.046 0.000 1.116 401 S HN 1.675 nan 8.310 nan 0.000 0.486 402 G N 0.927 109.717 108.800 -0.015 0.000 2.331 402 G HA2 0.322 4.282 3.960 -0.001 0.000 0.479 402 G HA3 0.322 4.282 3.960 -0.001 0.000 0.479 402 G C -1.804 173.010 174.900 -0.143 0.000 1.262 402 G CA -0.018 44.973 45.100 -0.182 0.000 1.029 402 G HN 1.280 nan 8.290 nan 0.000 0.487 403 D N -1.724 118.456 120.400 -0.367 0.000 2.687 403 D HA 0.754 5.394 4.640 -0.001 0.000 0.264 403 D C -0.675 175.131 176.300 -0.823 0.000 1.091 403 D CA -1.048 52.764 54.000 -0.314 0.000 1.123 403 D CB 1.160 41.955 40.800 -0.009 0.000 1.407 403 D HN 0.386 nan 8.370 nan 0.000 0.591 404 F N -0.435 119.394 119.950 -0.201 0.000 2.679 404 F HA 0.396 4.923 4.527 -0.001 0.000 0.354 404 F C -0.968 174.661 175.800 -0.285 0.000 1.423 404 F CA -0.630 57.250 58.000 -0.200 0.000 1.141 404 F CB 0.199 39.111 39.000 -0.146 0.000 1.168 404 F HN 0.007 nan 8.300 nan 0.000 0.530 405 F N -0.706 119.435 119.950 0.319 0.000 2.561 405 F HA 0.563 5.090 4.527 -0.001 0.000 0.321 405 F C 0.593 176.667 175.800 0.457 0.000 1.065 405 F CA -1.373 56.884 58.000 0.429 0.000 0.934 405 F CB 1.617 40.864 39.000 0.412 0.000 1.215 405 F HN -0.280 nan 8.300 nan 0.000 0.471 406 T N 1.890 116.840 114.554 0.661 0.000 2.806 406 T HA 0.158 4.508 4.350 -0.001 0.000 0.290 406 T C -0.903 174.279 174.700 0.803 0.000 0.966 406 T CA -0.172 62.384 62.100 0.761 0.000 1.060 406 T CB 0.144 69.328 68.868 0.527 0.000 0.927 406 T HN 0.358 nan 8.240 nan 0.000 0.485 407 Y N 2.925 123.566 120.300 0.569 0.000 2.497 407 Y HA 0.411 4.961 4.550 -0.001 0.000 0.334 407 Y C -0.107 175.862 175.900 0.116 0.000 1.199 407 Y CA -1.226 57.035 58.100 0.268 0.000 1.425 407 Y CB 0.089 38.580 38.460 0.051 0.000 1.291 407 Y HN 0.684 nan 8.280 nan 0.000 0.562 408 A N 5.011 127.445 122.820 -0.643 0.000 2.374 408 A HA 0.388 4.708 4.320 -0.001 0.000 0.305 408 A C -0.122 176.898 177.584 -0.940 0.000 1.053 408 A CA -0.259 51.219 52.037 -0.932 0.000 0.726 408 A CB 0.733 18.902 19.000 -1.386 0.000 1.229 408 A HN 0.785 nan 8.150 nan 0.000 0.431 409 D N 1.394 121.365 120.400 -0.715 0.000 2.346 409 D HA 0.070 4.709 4.640 -0.001 0.000 0.206 409 D C 0.500 176.803 176.300 0.004 0.000 1.001 409 D CA 0.479 54.282 54.000 -0.328 0.000 0.871 409 D CB 0.159 40.845 40.800 -0.190 0.000 0.943 409 D HN 0.720 nan 8.370 nan 0.000 0.518 410 R N -2.240 118.201 120.500 -0.098 0.000 2.687 410 R HA 0.414 4.753 4.340 -0.001 0.000 0.265 410 R C -0.185 176.004 176.300 -0.186 0.000 1.048 410 R CA -0.232 55.662 56.100 -0.344 0.000 0.884 410 R CB 0.801 30.980 30.300 -0.201 0.000 1.258 410 R HN -0.115 nan 8.270 nan 0.000 0.469 411 S N 0.351 115.898 115.700 -0.255 0.000 4.054 411 S HA -0.295 4.175 4.470 -0.001 0.000 0.618 411 S C 0.408 175.088 174.600 0.133 0.000 2.026 411 S CA 1.969 60.165 58.200 -0.006 0.000 4.205 411 S CB -1.068 62.112 63.200 -0.034 0.000 0.233 411 S HN 1.093 nan 8.310 nan 0.000 0.612 412 D N 1.454 121.920 120.400 0.110 0.000 2.463 412 D HA 0.206 4.846 4.640 -0.001 0.000 0.224 412 D C -0.021 176.392 176.300 0.188 0.000 1.174 412 D CA -0.149 53.986 54.000 0.224 0.000 0.829 412 D CB -1.406 39.512 40.800 0.197 0.000 0.993 412 D HN 0.506 nan 8.370 nan 0.000 0.497 413 N N 0.928 119.637 118.700 0.014 0.000 2.807 413 N HA 0.066 4.806 4.740 -0.001 0.000 0.259 413 N C -0.960 174.569 175.510 0.031 0.000 1.149 413 N CA -0.327 52.734 53.050 0.020 0.000 1.042 413 N CB 0.200 38.681 38.487 -0.011 0.000 1.367 413 N HN 0.132 nan 8.380 nan 0.000 0.516 414 Y N 0.220 120.604 120.300 0.139 0.000 2.308 414 Y HA 0.131 4.680 4.550 -0.001 0.000 0.329 414 Y C 0.059 176.150 175.900 0.319 0.000 1.111 414 Y CA -0.649 57.598 58.100 0.245 0.000 1.179 414 Y CB 0.655 39.211 38.460 0.160 0.000 1.201 414 Y HN 0.399 nan 8.280 nan 0.000 0.483 415 W N 2.475 123.911 121.300 0.226 0.000 1.603 415 W HA 0.240 4.899 4.660 -0.001 0.000 0.392 415 W C 0.779 177.349 176.519 0.086 0.000 0.661 415 W CA -0.651 56.856 57.345 0.269 0.000 2.021 415 W CB -0.412 29.309 29.460 0.436 0.000 1.759 415 W HN 0.542 nan 8.180 nan 0.000 0.334 416 S N -2.046 113.696 115.700 0.070 0.000 2.540 416 S HA 0.136 4.606 4.470 -0.001 0.000 0.218 416 S C 1.932 176.274 174.600 -0.431 0.000 0.977 416 S CA 0.313 58.192 58.200 -0.534 0.000 0.918 416 S CB 0.199 63.406 63.200 0.011 0.000 0.806 416 S HN 0.342 nan 8.310 nan 0.000 0.496 417 G N 2.021 110.764 108.800 -0.095 0.000 2.422 417 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.218 417 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.218 417 G C 1.250 176.131 174.900 -0.031 0.000 1.146 417 G CA 0.930 45.980 45.100 -0.083 0.000 0.769 417 G HN 0.800 nan 8.290 nan 0.000 0.547 418 Y N -0.691 119.580 120.300 -0.048 0.000 2.578 418 Y HA 0.197 4.746 4.550 -0.001 0.000 0.297 418 Y C 1.814 177.839 175.900 0.208 0.000 1.176 418 Y CA -0.469 57.685 58.100 0.091 0.000 1.315 418 Y CB -0.334 38.270 38.460 0.241 0.000 1.031 418 Y HN 0.163 nan 8.280 nan 0.000 0.524 419 Y N 0.710 120.786 120.300 -0.372 0.000 2.497 419 Y HA -0.048 4.502 4.550 -0.001 0.000 0.292 419 Y C 1.699 177.550 175.900 -0.082 0.000 1.137 419 Y CA 0.678 58.599 58.100 -0.298 0.000 1.285 419 Y CB -0.759 37.566 38.460 -0.225 0.000 0.991 419 Y HN 0.309 nan 8.280 nan 0.000 0.556 420 T N -2.701 111.922 114.554 0.115 0.000 2.966 420 T HA 0.086 4.435 4.350 -0.001 0.000 0.254 420 T C 0.723 175.512 174.700 0.149 0.000 0.961 420 T CA -0.068 62.101 62.100 0.115 0.000 0.915 420 T CB 0.066 68.971 68.868 0.061 0.000 1.186 420 T HN -0.067 nan 8.240 nan 0.000 0.505 421 S N 2.399 118.186 115.700 0.145 0.000 2.558 421 S HA 0.236 4.706 4.470 -0.001 0.000 0.293 421 S C 0.387 175.126 174.600 0.231 0.000 1.292 421 S CA -0.065 58.231 58.200 0.161 0.000 1.063 421 S CB 0.133 63.413 63.200 0.135 0.000 0.831 421 S HN 0.391 nan 8.310 nan 0.000 0.499 422 R N 1.034 121.687 120.500 0.254 0.000 3.205 422 R HA -0.119 4.220 4.340 -0.001 0.000 0.249 422 R C -2.042 174.512 176.300 0.423 0.000 0.937 422 R CA 0.656 56.983 56.100 0.378 0.000 0.641 422 R CB -1.795 28.764 30.300 0.432 0.000 1.114 422 R HN 0.503 nan 8.270 nan 0.000 0.451 423 P HA -0.214 nan 4.420 nan 0.000 0.223 423 P C 1.113 178.627 177.300 0.357 0.000 1.151 423 P CA 0.920 64.241 63.100 0.369 0.000 0.787 423 P CB -0.012 31.950 31.700 0.437 0.000 0.788 424 Y N 1.577 121.966 120.300 0.148 0.000 2.128 424 Y HA -0.264 4.285 4.550 -0.001 0.000 0.284 424 Y C 2.291 178.190 175.900 -0.003 0.000 1.154 424 Y CA 2.107 60.212 58.100 0.008 0.000 1.149 424 Y CB -0.946 37.379 38.460 -0.226 0.000 0.976 424 Y HN 0.065 nan 8.280 nan 0.000 0.505 425 H N -0.889 118.433 119.070 0.421 0.000 2.470 425 H HA 0.021 4.577 4.556 -0.001 0.000 0.289 425 H C 2.056 177.535 175.328 0.253 0.000 1.033 425 H CA 1.195 57.410 56.048 0.278 0.000 1.331 425 H CB -0.047 29.950 29.762 0.391 0.000 1.414 425 H HN 0.246 nan 8.280 nan 0.000 0.545 426 K N 0.397 121.023 120.400 0.377 0.000 2.057 426 K HA -0.165 4.155 4.320 -0.001 0.000 0.207 426 K C 2.255 178.915 176.600 0.100 0.000 1.049 426 K CA 1.255 57.700 56.287 0.263 0.000 0.931 426 K CB 0.061 32.694 32.500 0.222 0.000 0.714 426 K HN 0.032 nan 8.250 nan 0.000 0.440 427 R N 1.385 121.916 120.500 0.051 0.000 2.075 427 R HA -0.022 4.318 4.340 -0.001 0.000 0.232 427 R C 2.064 178.119 176.300 -0.409 0.000 1.126 427 R CA 1.471 57.526 56.100 -0.076 0.000 0.963 427 R CB -0.440 29.911 30.300 0.085 0.000 0.858 427 R HN 0.161 nan 8.270 nan 0.000 0.435 428 M N 0.283 119.508 119.600 -0.625 0.000 2.149 428 M HA -0.211 4.269 4.480 -0.001 0.000 0.261 428 M C 1.456 177.435 176.300 -0.534 0.000 1.064 428 M CA 2.430 57.124 55.300 -1.010 0.000 1.102 428 M CB -0.330 31.890 32.600 -0.633 0.000 1.369 428 M HN 0.296 nan 8.290 nan 0.000 0.408 429 D N -0.293 119.982 120.400 -0.209 0.000 2.116 429 D HA -0.217 4.423 4.640 -0.001 0.000 0.193 429 D C 1.890 178.112 176.300 -0.129 0.000 0.998 429 D CA 1.458 55.435 54.000 -0.038 0.000 0.836 429 D CB 0.116 41.041 40.800 0.208 0.000 0.951 429 D HN 0.219 nan 8.370 nan 0.000 0.449 430 R N 0.049 120.449 120.500 -0.168 0.000 2.115 430 R HA -0.008 4.331 4.340 -0.001 0.000 0.226 430 R C 2.423 178.576 176.300 -0.245 0.000 1.100 430 R CA 0.417 56.409 56.100 -0.181 0.000 0.980 430 R CB -0.947 29.263 30.300 -0.150 0.000 0.875 430 R HN 0.263 nan 8.270 nan 0.000 0.445 431 V N 1.499 121.196 119.914 -0.361 0.000 2.261 431 V HA -0.215 3.905 4.120 -0.001 0.000 0.246 431 V C 2.365 178.339 176.094 -0.200 0.000 1.047 431 V CA 1.530 63.612 62.300 -0.364 0.000 1.015 431 V CB -0.582 30.820 31.823 -0.703 0.000 0.642 431 V HN 0.137 nan 8.190 nan 0.000 0.446 432 L N -0.404 120.687 121.223 -0.219 0.000 2.083 432 L HA -0.153 4.187 4.340 -0.001 0.000 0.209 432 L C 2.309 179.127 176.870 -0.086 0.000 1.083 432 L CA 1.995 56.782 54.840 -0.089 0.000 0.752 432 L CB -0.675 41.308 42.059 -0.127 0.000 0.899 432 L HN 0.331 nan 8.230 nan 0.000 0.433 433 M N -1.273 118.248 119.600 -0.131 0.000 2.089 433 M HA -0.340 4.139 4.480 -0.001 0.000 0.257 433 M C 2.375 178.575 176.300 -0.166 0.000 1.071 433 M CA 2.449 57.654 55.300 -0.157 0.000 1.096 433 M CB -0.409 32.063 32.600 -0.213 0.000 1.330 433 M HN 0.560 nan 8.290 nan 0.000 0.403 434 H N -0.859 118.048 119.070 -0.272 0.000 2.357 434 H HA -0.153 4.403 4.556 -0.001 0.000 0.301 434 H C 1.358 176.540 175.328 -0.243 0.000 1.082 434 H CA 2.267 58.129 56.048 -0.311 0.000 1.342 434 H CB -0.237 29.257 29.762 -0.446 0.000 1.389 434 H HN 0.482 nan 8.280 nan 0.000 0.511 435 Y N -0.682 119.479 120.300 -0.232 0.000 2.457 435 Y HA -0.050 4.500 4.550 -0.001 0.000 0.292 435 Y C 2.551 178.330 175.900 -0.202 0.000 1.125 435 Y CA 0.758 58.714 58.100 -0.241 0.000 1.254 435 Y CB -0.249 38.142 38.460 -0.115 0.000 1.012 435 Y HN 0.122 nan 8.280 nan 0.000 0.555 436 V N 0.103 119.991 119.914 -0.044 0.000 2.307 436 V HA -0.297 3.822 4.120 -0.001 0.000 0.245 436 V C 2.550 178.583 176.094 -0.102 0.000 1.045 436 V CA 2.158 64.415 62.300 -0.071 0.000 1.024 436 V CB -0.530 31.243 31.823 -0.084 0.000 0.651 436 V HN 0.285 nan 8.190 nan 0.000 0.449 437 R N 0.433 120.840 120.500 -0.155 0.000 2.083 437 R HA -0.193 4.147 4.340 -0.001 0.000 0.237 437 R C 2.226 178.467 176.300 -0.098 0.000 1.137 437 R CA 1.951 57.971 56.100 -0.133 0.000 0.951 437 R CB -0.490 29.715 30.300 -0.158 0.000 0.851 437 R HN 0.467 nan 8.270 nan 0.000 0.434 438 A N 0.509 123.221 122.820 -0.180 0.000 1.930 438 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 438 A C 2.340 179.932 177.584 0.013 0.000 1.175 438 A CA 1.472 53.502 52.037 -0.011 0.000 0.627 438 A CB -0.648 18.320 19.000 -0.054 0.000 0.815 438 A HN 0.567 nan 8.150 nan 0.000 0.443 439 A N -0.164 122.652 122.820 -0.007 0.000 1.898 439 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 439 A C 1.934 179.490 177.584 -0.045 0.000 1.181 439 A CA 1.492 53.519 52.037 -0.017 0.000 0.620 439 A CB -0.439 18.544 19.000 -0.028 0.000 0.819 439 A HN 0.610 nan 8.150 nan 0.000 0.442 440 E N -0.966 119.200 120.200 -0.057 0.000 2.072 440 E HA -0.178 4.172 4.350 -0.001 0.000 0.191 440 E C 2.057 178.606 176.600 -0.084 0.000 0.985 440 E CA 1.285 57.639 56.400 -0.077 0.000 0.801 440 E CB -0.244 29.408 29.700 -0.079 0.000 0.750 440 E HN 0.747 nan 8.360 nan 0.000 0.452 441 M N 0.754 120.329 119.600 -0.043 0.000 2.077 441 M HA -0.145 4.334 4.480 -0.001 0.000 0.261 441 M C 2.166 178.470 176.300 0.006 0.000 1.070 441 M CA 1.343 56.616 55.300 -0.045 0.000 1.125 441 M CB 0.035 32.709 32.600 0.122 0.000 1.339 441 M HN 0.073 nan 8.290 nan 0.000 0.409 442 L N 0.077 121.364 121.223 0.107 0.000 2.083 442 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 442 L C 2.589 179.634 176.870 0.292 0.000 1.083 442 L CA 1.694 56.662 54.840 0.213 0.000 0.752 442 L CB -0.504 41.534 42.059 -0.035 0.000 0.899 442 L HN 0.517 nan 8.230 nan 0.000 0.433 443 S N -1.086 114.701 115.700 0.146 0.000 2.528 443 S HA 0.080 4.549 4.470 -0.001 0.000 0.219 443 S C 1.938 176.720 174.600 0.304 0.000 0.985 443 S CA 0.370 58.734 58.200 0.273 0.000 0.914 443 S CB 0.055 63.217 63.200 -0.064 0.000 0.776 443 S HN 0.294 nan 8.310 nan 0.000 0.526 444 A N 0.851 123.669 122.820 -0.004 0.000 2.066 444 A HA 0.121 4.440 4.320 -0.001 0.000 0.218 444 A C 1.671 179.149 177.584 -0.177 0.000 1.157 444 A CA 0.627 52.564 52.037 -0.166 0.000 0.670 444 A CB -1.130 17.615 19.000 -0.425 0.000 0.804 444 A HN 0.750 nan 8.150 nan 0.000 0.453 445 W N -0.579 120.733 121.300 0.020 0.000 2.392 445 W HA -0.022 4.638 4.660 -0.001 0.000 0.279 445 W C 0.861 177.158 176.519 -0.370 0.000 1.225 445 W CA 0.965 58.221 57.345 -0.148 0.000 1.233 445 W CB -0.148 29.186 29.460 -0.210 0.000 1.122 445 W HN 0.389 nan 8.180 nan 0.000 0.561 446 H N -2.181 116.949 119.070 0.100 0.000 2.731 446 H HA 0.371 4.926 4.556 -0.001 0.000 0.368 446 H C -0.318 174.901 175.328 -0.181 0.000 1.168 446 H CA -0.888 55.053 56.048 -0.178 0.000 1.181 446 H CB 1.613 31.004 29.762 -0.617 0.000 1.743 446 H HN -0.430 nan 8.280 nan 0.000 0.547 447 S N 0.981 116.636 115.700 -0.076 0.000 2.537 447 S HA 0.195 4.665 4.470 -0.001 0.000 0.275 447 S C -1.125 173.364 174.600 -0.185 0.000 1.272 447 S CA -0.580 57.597 58.200 -0.038 0.000 1.050 447 S CB 0.206 63.397 63.200 -0.015 0.000 0.961 447 S HN 0.334 nan 8.310 nan 0.000 0.496 448 W N 1.506 122.810 121.300 0.008 0.000 2.632 448 W HA 0.341 5.001 4.660 -0.001 0.000 0.328 448 W C 0.027 176.504 176.519 -0.070 0.000 1.044 448 W CA -0.898 56.422 57.345 -0.040 0.000 1.225 448 W CB 0.583 29.983 29.460 -0.099 0.000 1.396 448 W HN 0.579 nan 8.180 nan 0.000 0.499 449 D N 0.857 121.337 120.400 0.134 0.000 2.449 449 D HA 0.125 4.764 4.640 -0.001 0.000 0.236 449 D C 1.660 177.962 176.300 0.002 0.000 1.149 449 D CA 1.224 55.264 54.000 0.067 0.000 0.878 449 D CB 1.175 42.041 40.800 0.111 0.000 1.198 449 D HN 0.567 nan 8.370 nan 0.000 0.446 450 G N 2.929 111.737 108.800 0.014 0.000 2.462 450 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.220 450 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.220 450 G C 1.297 176.171 174.900 -0.044 0.000 1.121 450 G CA 0.420 45.514 45.100 -0.009 0.000 0.758 450 G HN 0.483 nan 8.290 nan 0.000 0.559 451 M N 0.977 120.561 119.600 -0.027 0.000 2.460 451 M HA 0.113 4.593 4.480 -0.001 0.000 0.263 451 M C 2.748 178.964 176.300 -0.140 0.000 1.071 451 M CA 0.765 56.073 55.300 0.014 0.000 1.096 451 M CB -0.764 31.945 32.600 0.181 0.000 1.408 451 M HN 0.320 nan 8.290 nan 0.000 0.463 452 A N -0.091 122.410 122.820 -0.532 0.000 2.119 452 A HA -0.028 4.292 4.320 -0.001 0.000 0.216 452 A C 1.250 178.623 177.584 -0.352 0.000 1.152 452 A CA 0.381 51.879 52.037 -0.900 0.000 0.708 452 A CB -0.285 18.017 19.000 -1.163 0.000 0.805 452 A HN 0.581 nan 8.150 nan 0.000 0.460 453 R N -1.736 118.638 120.500 -0.210 0.000 3.641 453 R HA -0.175 4.164 4.340 -0.001 0.000 0.286 453 R C 0.654 176.844 176.300 -0.183 0.000 1.153 453 R CA 0.728 56.747 56.100 -0.134 0.000 0.775 453 R CB -2.145 28.110 30.300 -0.075 0.000 1.215 453 R HN 0.477 nan 8.270 nan 0.000 0.474 454 I N 0.480 120.889 120.570 -0.268 0.000 2.193 454 I HA -0.176 3.993 4.170 -0.001 0.000 0.240 454 I C 2.138 178.131 176.117 -0.206 0.000 1.084 454 I CA 1.639 62.734 61.300 -0.342 0.000 1.365 454 I CB -0.710 36.931 38.000 -0.599 0.000 1.064 454 I HN 0.192 nan 8.210 nan 0.000 0.410 455 E N 0.769 120.888 120.200 -0.136 0.000 2.118 455 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 455 E C 2.096 178.652 176.600 -0.073 0.000 0.992 455 E CA 1.236 57.586 56.400 -0.084 0.000 0.804 455 E CB -0.236 29.439 29.700 -0.043 0.000 0.741 455 E HN 0.480 nan 8.360 nan 0.000 0.458 456 E N 0.384 120.542 120.200 -0.070 0.000 2.051 456 E HA -0.251 4.099 4.350 -0.001 0.000 0.192 456 E C 1.923 178.485 176.600 -0.063 0.000 0.991 456 E CA 1.064 57.432 56.400 -0.052 0.000 0.799 456 E CB 0.104 29.777 29.700 -0.044 0.000 0.748 456 E HN -0.027 nan 8.360 nan 0.000 0.449 457 R N 0.264 120.713 120.500 -0.085 0.000 2.092 457 R HA 0.017 4.357 4.340 -0.001 0.000 0.231 457 R C 2.381 178.628 176.300 -0.088 0.000 1.119 457 R CA 0.840 56.890 56.100 -0.083 0.000 0.970 457 R CB -0.453 29.788 30.300 -0.098 0.000 0.864 457 R HN 0.273 nan 8.270 nan 0.000 0.440 458 L N -0.116 121.045 121.223 -0.103 0.000 2.093 458 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 458 L C 2.343 179.157 176.870 -0.094 0.000 1.085 458 L CA 1.468 56.249 54.840 -0.098 0.000 0.755 458 L CB -0.409 41.587 42.059 -0.106 0.000 0.904 458 L HN 0.290 nan 8.230 nan 0.000 0.435 459 E N 0.188 120.337 120.200 -0.085 0.000 2.077 459 E HA -0.304 4.045 4.350 -0.001 0.000 0.193 459 E C 2.210 178.744 176.600 -0.110 0.000 0.989 459 E CA 1.315 57.658 56.400 -0.095 0.000 0.800 459 E CB 0.004 29.671 29.700 -0.056 0.000 0.746 459 E HN 0.430 nan 8.360 nan 0.000 0.452 460 Q N 0.021 119.774 119.800 -0.077 0.000 2.050 460 Q HA -0.212 4.127 4.340 -0.001 0.000 0.202 460 Q C 2.090 178.045 176.000 -0.076 0.000 0.980 460 Q CA 1.697 57.461 55.803 -0.064 0.000 0.840 460 Q CB -0.252 28.460 28.738 -0.043 0.000 0.898 460 Q HN 0.350 nan 8.270 nan 0.000 0.424 461 A N 1.057 123.831 122.820 -0.077 0.000 1.902 461 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 461 A C 2.098 179.627 177.584 -0.093 0.000 1.181 461 A CA 1.477 53.471 52.037 -0.072 0.000 0.623 461 A CB -0.521 18.438 19.000 -0.068 0.000 0.818 461 A HN 0.383 nan 8.150 nan 0.000 0.443 462 R N -0.803 119.621 120.500 -0.126 0.000 2.081 462 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 462 R C 2.446 178.603 176.300 -0.239 0.000 1.131 462 R CA 1.605 57.606 56.100 -0.164 0.000 0.960 462 R CB -0.277 29.912 30.300 -0.184 0.000 0.856 462 R HN 0.494 nan 8.270 nan 0.000 0.436 463 R N 0.239 120.563 120.500 -0.293 0.000 2.090 463 R HA -0.068 4.271 4.340 -0.001 0.000 0.228 463 R C 2.070 178.309 176.300 -0.102 0.000 1.110 463 R CA 0.914 56.767 56.100 -0.411 0.000 0.973 463 R CB 0.025 30.103 30.300 -0.370 0.000 0.869 463 R HN 0.183 nan 8.270 nan 0.000 0.440 464 E N 0.759 120.936 120.200 -0.039 0.000 2.107 464 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 464 E C 1.957 178.601 176.600 0.073 0.000 0.982 464 E CA 0.721 57.148 56.400 0.046 0.000 0.809 464 E CB -0.198 29.519 29.700 0.029 0.000 0.756 464 E HN 0.148 nan 8.360 nan 0.000 0.459 465 L N 1.144 122.378 121.223 0.018 0.000 2.093 465 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 465 L C 2.137 179.061 176.870 0.091 0.000 1.085 465 L CA 1.542 56.412 54.840 0.050 0.000 0.755 465 L CB -0.556 41.495 42.059 -0.013 0.000 0.904 465 L HN -0.102 nan 8.230 nan 0.000 0.435 466 S N -0.426 115.291 115.700 0.029 0.000 2.368 466 S HA -0.170 4.299 4.470 -0.001 0.000 0.225 466 S C 1.842 176.592 174.600 0.251 0.000 1.030 466 S CA 1.518 59.766 58.200 0.081 0.000 0.999 466 S CB -0.553 62.588 63.200 -0.098 0.000 0.844 466 S HN 0.459 nan 8.310 nan 0.000 0.459 467 L N 0.686 122.103 121.223 0.324 0.000 2.042 467 L HA -0.035 4.305 4.340 -0.001 0.000 0.210 467 L C 1.863 178.854 176.870 0.202 0.000 1.076 467 L CA 1.645 56.675 54.840 0.316 0.000 0.749 467 L CB -0.604 41.617 42.059 0.270 0.000 0.893 467 L HN 0.298 nan 8.230 nan 0.000 0.432 468 F N -0.346 119.590 119.950 -0.024 0.000 2.546 468 F HA -0.120 4.407 4.527 -0.001 0.000 0.298 468 F C 2.161 177.887 175.800 -0.124 0.000 1.120 468 F CA 0.811 58.679 58.000 -0.220 0.000 1.456 468 F CB -0.213 38.700 39.000 -0.146 0.000 1.088 468 F HN 0.249 nan 8.300 nan 0.000 0.572 469 Q N -0.419 119.356 119.800 -0.043 0.000 2.436 469 Q HA -0.135 4.204 4.340 -0.001 0.000 0.209 469 Q C 0.528 176.472 176.000 -0.093 0.000 0.965 469 Q CA 0.423 56.173 55.803 -0.089 0.000 0.910 469 Q CB -1.289 27.467 28.738 0.029 0.000 0.980 469 Q HN 0.505 nan 8.270 nan 0.000 0.491 470 H N 1.986 120.950 119.070 -0.176 0.000 3.073 470 H HA -0.119 4.436 4.556 -0.001 0.000 0.340 470 H C 1.329 176.512 175.328 -0.241 0.000 1.054 470 H CA 0.781 56.722 56.048 -0.178 0.000 1.372 470 H CB 0.570 30.245 29.762 -0.145 0.000 1.314 470 H HN 0.242 nan 8.280 nan 0.000 0.603 471 H N 1.982 120.598 119.070 -0.756 0.000 2.563 471 H HA -0.007 4.549 4.556 -0.001 0.000 0.272 471 H C -0.314 174.575 175.328 -0.733 0.000 1.005 471 H CA 0.728 56.311 56.048 -0.776 0.000 1.171 471 H CB 0.288 29.600 29.762 -0.750 0.000 1.351 471 H HN 0.613 nan 8.280 nan 0.000 0.602 472 D N 0.417 120.124 120.400 -1.155 0.000 2.479 472 D HA 0.126 4.766 4.640 -0.001 0.000 0.218 472 D C 1.581 177.869 176.300 -0.019 0.000 1.177 472 D CA 0.274 54.155 54.000 -0.198 0.000 0.830 472 D CB 0.864 41.807 40.800 0.238 0.000 1.014 472 D HN 0.525 nan 8.370 nan 0.000 0.503 473 G N 1.303 109.873 108.800 -0.383 0.000 2.618 473 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.222 473 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.222 473 G C 1.346 175.623 174.900 -1.039 0.000 1.520 473 G CA -0.208 44.378 45.100 -0.856 0.000 0.930 473 G HN 0.199 nan 8.290 nan 0.000 0.547 474 I N 1.982 121.667 120.570 -1.475 0.000 2.423 474 I HA -0.177 3.992 4.170 -0.001 0.000 0.254 474 I C 2.880 178.895 176.117 -0.170 0.000 1.151 474 I CA 2.063 62.823 61.300 -0.899 0.000 1.421 474 I CB -0.048 37.615 38.000 -0.562 0.000 1.079 474 I HN 0.379 nan 8.210 nan 0.000 0.431 475 T N -1.714 112.795 114.554 -0.075 0.000 3.007 475 T HA 0.025 4.375 4.350 -0.001 0.000 0.270 475 T C 1.547 176.398 174.700 0.252 0.000 1.107 475 T CA 0.654 62.906 62.100 0.253 0.000 1.118 475 T CB -0.485 68.543 68.868 0.265 0.000 0.889 475 T HN 0.641 nan 8.240 nan 0.000 0.506 476 G N 1.354 110.256 108.800 0.169 0.000 2.176 476 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.252 476 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.252 476 G C 0.560 175.541 174.900 0.134 0.000 1.024 476 G CA 0.646 45.870 45.100 0.207 0.000 0.755 476 G HN 1.165 nan 8.290 nan 0.000 0.507 477 T N -3.343 111.287 114.554 0.128 0.000 3.215 477 T HA 0.742 5.092 4.350 -0.001 0.000 0.271 477 T C 0.852 175.759 174.700 0.344 0.000 1.012 477 T CA 1.047 63.156 62.100 0.016 0.000 0.899 477 T CB 0.980 69.686 68.868 -0.271 0.000 1.089 477 T HN 1.568 nan 8.240 nan 0.000 0.552 478 A N 1.290 124.324 122.820 0.356 0.000 2.269 478 A HA 0.695 5.014 4.320 -0.001 0.000 0.327 478 A C 0.198 177.880 177.584 0.163 0.000 1.112 478 A CA -0.944 51.329 52.037 0.393 0.000 0.865 478 A CB 0.857 20.134 19.000 0.462 0.000 1.227 478 A HN 0.401 nan 8.150 nan 0.000 0.498 479 K N -0.242 120.178 120.400 0.034 0.000 2.336 479 K HA 0.136 4.455 4.320 -0.001 0.000 0.262 479 K C 1.068 177.675 176.600 0.012 0.000 0.992 479 K CA 0.381 56.668 56.287 0.001 0.000 0.927 479 K CB 0.330 32.818 32.500 -0.020 0.000 0.956 479 K HN 0.731 nan 8.250 nan 0.000 0.495 480 T N 1.291 115.884 114.554 0.064 0.000 2.699 480 T HA -0.194 4.156 4.350 -0.001 0.000 0.268 480 T C 1.651 176.388 174.700 0.062 0.000 1.036 480 T CA 1.780 63.922 62.100 0.071 0.000 1.147 480 T CB -0.396 68.522 68.868 0.083 0.000 0.862 480 T HN 0.680 nan 8.240 nan 0.000 0.446 481 H N 0.490 119.553 119.070 -0.013 0.000 2.495 481 H HA 0.110 4.665 4.556 -0.001 0.000 0.287 481 H C 1.999 177.301 175.328 -0.043 0.000 1.033 481 H CA 0.788 56.821 56.048 -0.024 0.000 1.307 481 H CB -0.761 28.978 29.762 -0.038 0.000 1.401 481 H HN 0.273 nan 8.280 nan 0.000 0.555 482 V N 1.122 120.696 119.914 -0.566 0.000 2.407 482 V HA -0.160 3.960 4.120 -0.001 0.000 0.245 482 V C 3.010 178.931 176.094 -0.288 0.000 1.041 482 V CA 1.060 63.055 62.300 -0.507 0.000 1.040 482 V CB -0.419 31.149 31.823 -0.425 0.000 0.671 482 V HN 0.230 nan 8.190 nan 0.000 0.455 483 V N 0.016 119.894 119.914 -0.059 0.000 2.332 483 V HA -0.242 3.878 4.120 -0.001 0.000 0.248 483 V C 2.464 178.546 176.094 -0.020 0.000 1.055 483 V CA 1.957 64.280 62.300 0.037 0.000 1.038 483 V CB -0.523 31.282 31.823 -0.030 0.000 0.651 483 V HN 0.414 nan 8.190 nan 0.000 0.450 484 V N 0.380 120.289 119.914 -0.007 0.000 2.343 484 V HA -0.299 3.821 4.120 -0.001 0.000 0.247 484 V C 2.303 178.420 176.094 0.038 0.000 1.051 484 V CA 2.430 64.757 62.300 0.045 0.000 1.036 484 V CB -0.665 31.192 31.823 0.057 0.000 0.654 484 V HN 0.653 nan 8.190 nan 0.000 0.451 485 D N -1.066 119.311 120.400 -0.039 0.000 2.117 485 D HA -0.206 4.433 4.640 -0.001 0.000 0.197 485 D C 1.998 178.314 176.300 0.026 0.000 0.987 485 D CA 1.486 55.461 54.000 -0.041 0.000 0.829 485 D CB -0.157 40.558 40.800 -0.142 0.000 0.961 485 D HN 0.485 nan 8.370 nan 0.000 0.460 486 Y N 0.973 121.322 120.300 0.083 0.000 2.181 486 Y HA -0.057 4.492 4.550 -0.001 0.000 0.288 486 Y C 2.423 178.311 175.900 -0.019 0.000 1.146 486 Y CA 1.268 59.416 58.100 0.081 0.000 1.164 486 Y CB -0.732 37.850 38.460 0.204 0.000 0.982 486 Y HN 0.156 nan 8.280 nan 0.000 0.515 487 E N 0.034 120.346 120.200 0.187 0.000 2.072 487 E HA -0.247 4.102 4.350 -0.001 0.000 0.191 487 E C 1.993 178.686 176.600 0.156 0.000 0.985 487 E CA 1.294 57.823 56.400 0.215 0.000 0.801 487 E CB -0.038 29.874 29.700 0.354 0.000 0.750 487 E HN 0.567 nan 8.360 nan 0.000 0.452 488 Q N -0.051 119.824 119.800 0.126 0.000 2.084 488 Q HA -0.159 4.181 4.340 -0.001 0.000 0.202 488 Q C 2.324 178.371 176.000 0.079 0.000 0.978 488 Q CA 1.396 57.256 55.803 0.094 0.000 0.844 488 Q CB -0.052 28.731 28.738 0.075 0.000 0.898 488 Q HN 0.191 nan 8.270 nan 0.000 0.426 489 R N -0.006 120.547 120.500 0.088 0.000 2.081 489 R HA -0.061 4.279 4.340 -0.001 0.000 0.235 489 R C 2.252 178.581 176.300 0.048 0.000 1.131 489 R CA 1.407 57.551 56.100 0.075 0.000 0.960 489 R CB -0.143 30.227 30.300 0.116 0.000 0.856 489 R HN 0.292 nan 8.270 nan 0.000 0.436 490 M N -0.046 119.575 119.600 0.034 0.000 2.229 490 M HA -0.157 4.323 4.480 -0.001 0.000 0.264 490 M C 2.266 178.575 176.300 0.014 0.000 1.063 490 M CA 1.292 56.581 55.300 -0.017 0.000 1.114 490 M CB -0.080 32.452 32.600 -0.113 0.000 1.387 490 M HN 0.039 nan 8.290 nan 0.000 0.420 491 Q N 0.939 120.776 119.800 0.061 0.000 2.079 491 Q HA -0.161 4.178 4.340 -0.001 0.000 0.200 491 Q C 1.721 177.742 176.000 0.035 0.000 0.974 491 Q CA 1.603 57.451 55.803 0.075 0.000 0.840 491 Q CB -0.069 28.730 28.738 0.102 0.000 0.898 491 Q HN 0.316 nan 8.270 nan 0.000 0.430 492 E N -0.183 120.034 120.200 0.027 0.000 2.110 492 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 492 E C 1.793 178.387 176.600 -0.010 0.000 0.988 492 E CA 1.135 57.540 56.400 0.009 0.000 0.804 492 E CB -0.406 29.302 29.700 0.014 0.000 0.745 492 E HN 0.464 nan 8.360 nan 0.000 0.458 493 A N 1.005 123.818 122.820 -0.011 0.000 1.898 493 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 493 A C 2.382 179.940 177.584 -0.043 0.000 1.181 493 A CA 0.915 52.934 52.037 -0.030 0.000 0.620 493 A CB -0.641 18.341 19.000 -0.030 0.000 0.819 493 A HN 0.180 nan 8.150 nan 0.000 0.442 494 L N -0.715 120.483 121.223 -0.042 0.000 2.046 494 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 494 L C 2.576 179.383 176.870 -0.104 0.000 1.077 494 L CA 1.732 56.524 54.840 -0.080 0.000 0.747 494 L CB -0.395 41.632 42.059 -0.052 0.000 0.896 494 L HN 0.350 nan 8.230 nan 0.000 0.432 495 K N -0.131 120.232 120.400 -0.062 0.000 2.097 495 K HA -0.139 4.181 4.320 -0.001 0.000 0.206 495 K C 2.229 178.791 176.600 -0.063 0.000 1.049 495 K CA 1.285 57.534 56.287 -0.062 0.000 0.933 495 K CB -0.246 32.232 32.500 -0.037 0.000 0.717 495 K HN 0.291 nan 8.250 nan 0.000 0.442 496 A N 0.987 123.773 122.820 -0.056 0.000 1.902 496 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 496 A C 2.396 179.939 177.584 -0.069 0.000 1.181 496 A CA 1.473 53.475 52.037 -0.059 0.000 0.623 496 A CB -0.980 17.987 19.000 -0.056 0.000 0.818 496 A HN 0.410 nan 8.150 nan 0.000 0.443 497 C N -0.973 118.283 119.300 -0.073 0.000 2.429 497 C HA -0.124 4.336 4.460 -0.001 0.000 0.277 497 C C 2.874 177.826 174.990 -0.065 0.000 1.262 497 C CA 1.273 60.252 59.018 -0.064 0.000 1.733 497 C CB -1.287 26.425 27.740 -0.047 0.000 2.010 497 C HN 0.798 nan 8.230 nan 0.000 0.483 498 Q N 0.280 120.013 119.800 -0.111 0.000 2.061 498 Q HA -0.284 4.056 4.340 -0.001 0.000 0.204 498 Q C 2.164 178.173 176.000 0.015 0.000 0.984 498 Q CA 2.084 57.842 55.803 -0.075 0.000 0.846 498 Q CB -0.286 28.378 28.738 -0.123 0.000 0.902 498 Q HN 0.578 nan 8.270 nan 0.000 0.421 499 M N -0.087 119.503 119.600 -0.017 0.000 2.065 499 M HA -0.148 4.331 4.480 -0.001 0.000 0.259 499 M C 1.875 178.175 176.300 0.000 0.000 1.069 499 M CA 1.635 56.936 55.300 0.002 0.000 1.110 499 M CB -0.522 32.063 32.600 -0.026 0.000 1.328 499 M HN 0.148 nan 8.290 nan 0.000 0.405 500 V N 0.148 120.026 119.914 -0.060 0.000 2.358 500 V HA -0.297 3.823 4.120 -0.001 0.000 0.246 500 V C 2.435 178.492 176.094 -0.063 0.000 1.047 500 V CA 2.167 64.384 62.300 -0.139 0.000 1.035 500 V CB -0.697 31.023 31.823 -0.172 0.000 0.658 500 V HN 0.560 nan 8.190 nan 0.000 0.452 501 M N 0.268 119.889 119.600 0.035 0.000 2.080 501 M HA -0.264 4.215 4.480 -0.001 0.000 0.260 501 M C 2.379 178.743 176.300 0.107 0.000 1.068 501 M CA 2.424 57.798 55.300 0.123 0.000 1.109 501 M CB -0.463 32.332 32.600 0.324 0.000 1.342 501 M HN 0.547 nan 8.290 nan 0.000 0.405 502 Q N -0.303 119.631 119.800 0.223 0.000 2.172 502 Q HA -0.114 4.226 4.340 -0.001 0.000 0.200 502 Q C 1.813 178.001 176.000 0.314 0.000 0.964 502 Q CA 1.080 57.037 55.803 0.256 0.000 0.855 502 Q CB -0.602 28.390 28.738 0.423 0.000 0.918 502 Q HN 0.403 nan 8.270 nan 0.000 0.444 503 Q N 0.610 120.578 119.800 0.280 0.000 2.124 503 Q HA -0.077 4.262 4.340 -0.001 0.000 0.202 503 Q C 2.247 178.500 176.000 0.423 0.000 0.977 503 Q CA 1.747 57.791 55.803 0.401 0.000 0.850 503 Q CB -0.221 28.654 28.738 0.228 0.000 0.901 503 Q HN 0.511 nan 8.270 nan 0.000 0.429 504 S N 0.297 116.133 115.700 0.228 0.000 2.368 504 S HA -0.081 4.388 4.470 -0.001 0.000 0.224 504 S C 2.212 176.870 174.600 0.095 0.000 1.029 504 S CA 0.978 59.367 58.200 0.315 0.000 0.988 504 S CB -0.187 63.128 63.200 0.193 0.000 0.838 504 S HN 0.130 nan 8.310 nan 0.000 0.462 505 V N 0.946 120.788 119.914 -0.121 0.000 2.343 505 V HA -0.196 3.924 4.120 -0.001 0.000 0.247 505 V C 2.039 178.135 176.094 0.003 0.000 1.051 505 V CA 1.883 63.995 62.300 -0.314 0.000 1.036 505 V CB -0.786 30.434 31.823 -1.006 0.000 0.654 505 V HN 0.587 nan 8.190 nan 0.000 0.451 506 Y N 1.240 121.625 120.300 0.142 0.000 2.274 506 Y HA -0.221 4.329 4.550 -0.001 0.000 0.290 506 Y C 2.661 178.639 175.900 0.130 0.000 1.145 506 Y CA 2.064 60.319 58.100 0.259 0.000 1.203 506 Y CB -0.324 38.162 38.460 0.042 0.000 0.984 506 Y HN 0.105 nan 8.280 nan 0.000 0.533 507 R N -0.276 120.128 120.500 -0.160 0.000 2.093 507 R HA -0.029 4.311 4.340 -0.001 0.000 0.224 507 R C 2.088 178.060 176.300 -0.547 0.000 1.101 507 R CA 1.286 56.923 56.100 -0.773 0.000 0.979 507 R CB -0.274 29.567 30.300 -0.765 0.000 0.877 507 R HN 0.434 nan 8.270 nan 0.000 0.441 508 L N 0.320 121.379 121.223 -0.274 0.000 2.291 508 L HA -0.032 4.307 4.340 -0.001 0.000 0.214 508 L C 1.325 178.078 176.870 -0.194 0.000 1.120 508 L CA 0.744 55.387 54.840 -0.327 0.000 0.799 508 L CB 0.184 41.886 42.059 -0.595 0.000 0.925 508 L HN 0.222 nan 8.230 nan 0.000 0.446 509 L N -1.283 119.930 121.223 -0.017 0.000 3.122 509 L HA 0.225 4.565 4.340 -0.001 0.000 0.274 509 L C -0.216 176.743 176.870 0.148 0.000 1.222 509 L CA -0.101 54.819 54.840 0.133 0.000 1.028 509 L CB 0.577 42.868 42.059 0.387 0.000 1.386 509 L HN -0.011 nan 8.230 nan 0.000 0.578 510 T N 0.035 114.600 114.554 0.019 0.000 2.829 510 T HA 0.189 4.539 4.350 -0.001 0.000 0.280 510 T C -0.127 174.513 174.700 -0.099 0.000 0.999 510 T CA -0.563 61.540 62.100 0.004 0.000 0.983 510 T CB 2.388 71.255 68.868 -0.003 0.000 0.968 510 T HN 0.012 nan 8.240 nan 0.000 0.446 511 K N 3.754 124.110 120.400 -0.074 0.000 2.504 511 K HA -0.015 4.304 4.320 -0.001 0.000 0.278 511 K C -1.761 174.814 176.600 -0.043 0.000 1.025 511 K CA -1.040 55.209 56.287 -0.064 0.000 1.093 511 K CB 0.411 32.881 32.500 -0.051 0.000 0.873 511 K HN 0.177 nan 8.250 nan 0.000 0.483 512 P HA -0.203 nan 4.420 nan 0.000 0.216 512 P C 0.705 178.019 177.300 0.024 0.000 1.150 512 P CA 1.508 64.583 63.100 -0.041 0.000 0.843 512 P CB 0.184 31.854 31.700 -0.050 0.000 0.787 513 S N -2.315 113.390 115.700 0.009 0.000 2.607 513 S HA 0.064 4.533 4.470 -0.001 0.000 0.224 513 S C 1.642 176.259 174.600 0.027 0.000 0.969 513 S CA 0.444 58.654 58.200 0.017 0.000 0.927 513 S CB -1.091 62.111 63.200 0.004 0.000 0.772 513 S HN 0.105 nan 8.310 nan 0.000 0.533 514 I N -0.650 119.945 120.570 0.042 0.000 3.339 514 I HA 0.194 4.363 4.170 -0.001 0.000 0.285 514 I C 0.642 176.815 176.117 0.094 0.000 1.201 514 I CA -0.346 60.989 61.300 0.058 0.000 1.434 514 I CB -0.060 37.974 38.000 0.056 0.000 1.152 514 I HN 0.259 nan 8.210 nan 0.000 0.443 515 Y N 2.601 122.855 120.300 -0.076 0.000 2.802 515 Y HA -0.066 4.483 4.550 -0.001 0.000 0.333 515 Y C 0.477 176.348 175.900 -0.047 0.000 1.244 515 Y CA 0.055 58.062 58.100 -0.155 0.000 1.558 515 Y CB 0.397 38.687 38.460 -0.283 0.000 1.233 515 Y HN -0.124 nan 8.280 nan 0.000 0.547 516 S N 8.745 124.234 115.700 -0.352 0.000 2.317 516 S HA 0.345 4.814 4.470 -0.001 0.000 0.144 516 S C -2.888 171.522 174.600 -0.317 0.000 1.660 516 S CA -1.183 56.828 58.200 -0.314 0.000 1.273 516 S CB -0.024 63.117 63.200 -0.099 0.000 1.330 516 S HN 0.633 nan 8.310 nan 0.000 0.395 517 P HA 0.323 nan 4.420 nan 0.000 0.279 517 P C -1.130 175.911 177.300 -0.433 0.000 1.239 517 P CA -0.212 62.664 63.100 -0.374 0.000 0.789 517 P CB 0.865 32.237 31.700 -0.548 0.000 0.933 518 D N 2.198 122.528 120.400 -0.116 0.000 2.392 518 D HA 0.164 4.803 4.640 -0.001 0.000 0.228 518 D C 0.215 176.540 176.300 0.042 0.000 1.074 518 D CA -0.686 53.229 54.000 -0.143 0.000 0.838 518 D CB 0.157 40.890 40.800 -0.112 0.000 1.067 518 D HN 0.049 nan 8.370 nan 0.000 0.511 519 F N 1.619 121.681 119.950 0.186 0.000 2.699 519 F HA -0.038 4.489 4.527 -0.001 0.000 0.298 519 F C 2.454 178.327 175.800 0.121 0.000 1.154 519 F CA 0.461 58.573 58.000 0.188 0.000 1.457 519 F CB -0.393 38.698 39.000 0.152 0.000 1.106 519 F HN 0.373 nan 8.300 nan 0.000 0.585 520 S N -1.520 114.319 115.700 0.231 0.000 2.535 520 S HA 0.078 4.548 4.470 -0.001 0.000 0.214 520 S C 0.400 175.047 174.600 0.079 0.000 0.980 520 S CA -0.378 57.901 58.200 0.130 0.000 0.907 520 S CB -0.643 62.613 63.200 0.093 0.000 0.790 520 S HN 0.107 nan 8.310 nan 0.000 0.510 521 F N 2.756 122.631 119.950 -0.124 0.000 2.371 521 F HA 0.604 5.130 4.527 -0.001 0.000 0.329 521 F C -0.053 175.515 175.800 -0.388 0.000 1.107 521 F CA -0.728 57.064 58.000 -0.348 0.000 1.137 521 F CB 1.587 40.209 39.000 -0.631 0.000 1.214 521 F HN -0.062 nan 8.300 nan 0.000 0.536 522 S N 5.554 120.533 115.700 -1.201 0.000 2.415 522 S HA 0.168 4.638 4.470 -0.001 0.000 0.313 522 S C 0.276 174.224 174.600 -1.088 0.000 1.067 522 S CA -0.352 57.361 58.200 -0.812 0.000 1.099 522 S CB -0.065 62.791 63.200 -0.573 0.000 0.991 522 S HN 0.649 nan 8.310 nan 0.000 0.491 523 Y N 1.747 121.807 120.300 -0.401 0.000 2.314 523 Y HA 0.175 4.724 4.550 -0.001 0.000 0.293 523 Y C 0.347 175.692 175.900 -0.924 0.000 1.129 523 Y CA 0.730 58.469 58.100 -0.601 0.000 1.201 523 Y CB 0.119 38.296 38.460 -0.471 0.000 0.999 523 Y HN 0.505 nan 8.280 nan 0.000 0.541 524 F N -1.353 118.550 119.950 -0.078 0.000 2.599 524 F HA 0.463 4.990 4.527 -0.001 0.000 0.311 524 F C -0.026 175.793 175.800 0.033 0.000 1.076 524 F CA -1.554 56.464 58.000 0.029 0.000 0.937 524 F CB 1.544 40.708 39.000 0.274 0.000 1.282 524 F HN -0.400 nan 8.300 nan 0.000 0.460 525 T N 0.041 114.744 114.554 0.248 0.000 2.888 525 T HA 0.703 5.053 4.350 -0.001 0.000 0.284 525 T C -0.576 174.223 174.700 0.166 0.000 1.017 525 T CA -0.830 61.355 62.100 0.141 0.000 1.022 525 T CB 1.261 70.152 68.868 0.039 0.000 1.013 525 T HN 0.520 nan 8.240 nan 0.000 0.465 526 L N 1.851 123.083 121.223 0.016 0.000 2.417 526 L HA 0.407 4.747 4.340 -0.001 0.000 0.268 526 L C 0.049 176.883 176.870 -0.061 0.000 1.158 526 L CA -0.270 54.482 54.840 -0.147 0.000 0.819 526 L CB 0.761 42.655 42.059 -0.275 0.000 1.112 526 L HN 0.832 nan 8.230 nan 0.000 0.458 527 D N 1.598 121.961 120.400 -0.061 0.000 2.481 527 D HA 0.188 4.828 4.640 -0.001 0.000 0.246 527 D C -1.211 175.022 176.300 -0.112 0.000 1.109 527 D CA -0.415 53.548 54.000 -0.060 0.000 0.845 527 D CB 1.061 41.871 40.800 0.017 0.000 1.160 527 D HN 0.268 nan 8.370 nan 0.000 0.534 528 D N 2.436 122.788 120.400 -0.081 0.000 2.425 528 D HA 0.200 4.839 4.640 -0.001 0.000 0.240 528 D C 0.125 176.374 176.300 -0.085 0.000 1.080 528 D CA -0.467 53.519 54.000 -0.024 0.000 0.836 528 D CB 1.883 42.764 40.800 0.135 0.000 1.125 528 D HN 0.249 nan 8.370 nan 0.000 0.525 529 S N 2.764 118.386 115.700 -0.129 0.000 2.522 529 S HA 0.036 4.505 4.470 -0.001 0.000 0.227 529 S C 1.357 175.916 174.600 -0.068 0.000 0.986 529 S CA 0.495 58.607 58.200 -0.146 0.000 0.929 529 S CB 0.386 63.490 63.200 -0.159 0.000 0.769 529 S HN 0.496 nan 8.310 nan 0.000 0.529 530 R N -0.671 119.822 120.500 -0.012 0.000 2.535 530 R HA 0.223 4.563 4.340 -0.001 0.000 0.323 530 R C -0.681 175.702 176.300 0.139 0.000 0.979 530 R CA -0.099 56.018 56.100 0.029 0.000 1.120 530 R CB 0.822 31.127 30.300 0.008 0.000 1.306 530 R HN 0.336 nan 8.270 nan 0.000 0.540 531 W N 1.320 122.581 121.300 -0.065 0.000 3.211 531 W HA 0.288 4.947 4.660 -0.001 0.000 0.335 531 W C -2.905 173.588 176.519 -0.043 0.000 1.113 531 W CA -1.955 55.352 57.345 -0.063 0.000 1.235 531 W CB 1.834 31.270 29.460 -0.041 0.000 1.365 531 W HN -0.198 nan 8.180 nan 0.000 0.476 532 P HA 0.094 nan 4.420 nan 0.000 0.226 532 P C 0.327 177.274 177.300 -0.588 0.000 1.153 532 P CA 1.674 63.927 63.100 -1.412 0.000 0.777 532 P CB 0.290 31.380 31.700 -1.016 0.000 0.794 533 G N -1.164 107.458 108.800 -0.296 0.000 2.617 533 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.686 533 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.686 533 G C -0.454 174.385 174.900 -0.102 0.000 1.214 533 G CA -0.590 44.423 45.100 -0.144 0.000 0.796 533 G HN 0.038 nan 8.290 nan 0.000 0.654 534 S N 0.263 115.944 115.700 -0.032 0.000 2.575 534 S HA 0.476 4.946 4.470 -0.001 0.000 0.295 534 S C 1.873 176.469 174.600 -0.007 0.000 1.267 534 S CA 2.254 60.468 58.200 0.023 0.000 1.074 534 S CB -0.014 63.238 63.200 0.086 0.000 0.829 534 S HN 2.668 nan 8.310 nan 0.000 0.497 535 G N 2.842 111.633 108.800 -0.014 0.000 2.199 535 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.254 535 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.254 535 G C 0.614 175.476 174.900 -0.064 0.000 0.982 535 G CA 0.330 45.408 45.100 -0.037 0.000 0.632 535 G HN 0.814 nan 8.290 nan 0.000 0.529 536 V N -0.275 119.587 119.914 -0.087 0.000 2.743 536 V HA 0.446 4.565 4.120 -0.001 0.000 0.237 536 V C 0.801 176.824 176.094 -0.119 0.000 1.113 536 V CA 1.759 63.991 62.300 -0.113 0.000 1.141 536 V CB 0.899 32.620 31.823 -0.170 0.000 0.873 536 V HN 0.509 nan 8.190 nan 0.000 0.486 537 E N 0.213 120.334 120.200 -0.132 0.000 2.321 537 E HA 0.221 4.570 4.350 -0.001 0.000 0.278 537 E C -1.746 174.812 176.600 -0.070 0.000 0.902 537 E CA -0.591 55.745 56.400 -0.107 0.000 0.758 537 E CB 1.944 31.555 29.700 -0.148 0.000 1.213 537 E HN 0.182 nan 8.360 nan 0.000 0.426 538 D N 2.465 122.845 120.400 -0.034 0.000 2.470 538 D HA 0.098 4.737 4.640 -0.001 0.000 0.226 538 D C 0.266 176.562 176.300 -0.006 0.000 1.196 538 D CA 0.235 54.236 54.000 0.002 0.000 0.979 538 D CB 0.418 41.229 40.800 0.019 0.000 1.059 538 D HN 0.373 nan 8.370 nan 0.000 0.515 539 S N 2.383 118.069 115.700 -0.023 0.000 2.559 539 S HA 0.215 4.685 4.470 -0.001 0.000 0.226 539 S C 0.898 175.482 174.600 -0.027 0.000 1.030 539 S CA -0.493 57.686 58.200 -0.035 0.000 0.956 539 S CB 0.447 63.607 63.200 -0.067 0.000 0.900 539 S HN 0.212 nan 8.310 nan 0.000 0.510 540 R N 3.115 123.599 120.500 -0.027 0.000 2.340 540 R HA 0.372 4.712 4.340 -0.001 0.000 0.300 540 R C 0.013 176.332 176.300 0.032 0.000 1.069 540 R CA 0.124 56.186 56.100 -0.063 0.000 0.984 540 R CB 0.858 31.000 30.300 -0.264 0.000 1.003 540 R HN 0.468 nan 8.270 nan 0.000 0.459 541 T N -0.204 114.373 114.554 0.037 0.000 2.884 541 T HA 0.130 4.479 4.350 -0.001 0.000 0.298 541 T C 0.338 175.134 174.700 0.160 0.000 0.998 541 T CA -0.610 61.542 62.100 0.087 0.000 1.124 541 T CB 1.202 70.112 68.868 0.070 0.000 0.931 541 T HN 0.338 nan 8.240 nan 0.000 0.531 542 T N 4.354 119.016 114.554 0.180 0.000 2.817 542 T HA 0.356 4.705 4.350 -0.001 0.000 0.293 542 T C 0.552 175.358 174.700 0.176 0.000 0.964 542 T CA -0.498 61.734 62.100 0.220 0.000 1.085 542 T CB 0.148 69.111 68.868 0.158 0.000 0.921 542 T HN 0.585 nan 8.240 nan 0.000 0.502 543 I N 4.176 124.870 120.570 0.206 0.000 2.421 543 I HA 0.190 4.360 4.170 -0.001 0.000 0.291 543 I C 0.207 176.411 176.117 0.145 0.000 1.089 543 I CA -0.024 61.376 61.300 0.167 0.000 1.354 543 I CB 0.200 38.304 38.000 0.173 0.000 1.413 543 I HN 0.453 nan 8.210 nan 0.000 0.513 544 I N 8.044 128.684 120.570 0.117 0.000 2.297 544 I HA 0.312 4.482 4.170 -0.001 0.000 0.291 544 I C -0.135 176.043 176.117 0.102 0.000 1.033 544 I CA -0.173 61.188 61.300 0.101 0.000 1.253 544 I CB 0.502 38.549 38.000 0.078 0.000 1.396 544 I HN 0.390 nan 8.210 nan 0.000 0.476 545 L N 5.767 127.055 121.223 0.108 0.000 2.319 545 L HA 0.956 5.295 4.340 -0.001 0.000 0.267 545 L C 0.149 177.076 176.870 0.096 0.000 1.011 545 L CA -0.701 54.203 54.840 0.105 0.000 0.818 545 L CB 2.181 44.310 42.059 0.116 0.000 1.316 545 L HN 0.698 nan 8.230 nan 0.000 0.432 546 G N 0.024 108.877 108.800 0.089 0.000 2.429 546 G HA2 0.106 4.066 3.960 -0.001 0.000 0.300 546 G HA3 0.106 4.066 3.960 -0.001 0.000 0.300 546 G C -0.200 174.743 174.900 0.072 0.000 1.598 546 G CA -0.423 44.726 45.100 0.082 0.000 0.863 546 G HN 0.714 nan 8.290 nan 0.000 0.614 547 E N -0.146 120.095 120.200 0.068 0.000 2.160 547 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 547 E C 0.657 177.286 176.600 0.049 0.000 0.991 547 E CA 1.542 57.976 56.400 0.056 0.000 0.810 547 E CB 0.148 29.878 29.700 0.051 0.000 0.742 547 E HN 0.398 nan 8.360 nan 0.000 0.466 548 D N -0.320 120.109 120.400 0.048 0.000 2.388 548 D HA 0.139 4.779 4.640 -0.001 0.000 0.221 548 D C 1.022 177.348 176.300 0.043 0.000 1.133 548 D CA 0.095 54.120 54.000 0.041 0.000 0.831 548 D CB 0.915 41.737 40.800 0.036 0.000 0.962 548 D HN 0.338 nan 8.370 nan 0.000 0.502 549 I N -0.957 119.644 120.570 0.051 0.000 4.147 549 I HA 0.123 4.293 4.170 -0.001 0.000 0.278 549 I C -1.425 174.729 176.117 0.061 0.000 1.133 549 I CA 0.049 61.380 61.300 0.052 0.000 1.317 549 I CB 1.243 39.274 38.000 0.052 0.000 1.688 549 I HN -0.167 nan 8.210 nan 0.000 0.432 550 L N 2.067 123.333 121.223 0.071 0.000 2.795 550 L HA 0.475 4.814 4.340 -0.001 0.000 0.260 550 L C -2.540 174.384 176.870 0.090 0.000 0.935 550 L CA -0.890 54.001 54.840 0.084 0.000 0.985 550 L CB 1.745 43.860 42.059 0.094 0.000 1.433 550 L HN -0.156 nan 8.230 nan 0.000 0.447 551 P HA 0.076 nan 4.420 nan 0.000 0.224 551 P C -0.208 177.150 177.300 0.097 0.000 1.157 551 P CA 0.804 63.955 63.100 0.086 0.000 0.799 551 P CB 0.432 32.177 31.700 0.074 0.000 0.809 552 S N -2.117 113.652 115.700 0.116 0.000 2.588 552 S HA 0.702 5.172 4.470 -0.001 0.000 0.269 552 S C -1.358 173.350 174.600 0.180 0.000 1.157 552 S CA -0.737 57.539 58.200 0.126 0.000 0.824 552 S CB 2.441 65.709 63.200 0.113 0.000 1.126 552 S HN -0.110 nan 8.310 nan 0.000 0.464 553 K N 0.616 121.128 120.400 0.187 0.000 2.513 553 K HA 0.582 4.901 4.320 -0.001 0.000 0.251 553 K C -1.966 174.808 176.600 0.290 0.000 0.939 553 K CA -0.250 56.196 56.287 0.265 0.000 0.793 553 K CB 0.954 33.566 32.500 0.188 0.000 1.241 553 K HN 0.841 nan 8.250 nan 0.000 0.431 554 H N 0.853 120.071 119.070 0.247 0.000 2.610 554 H HA 0.443 4.998 4.556 -0.001 0.000 0.336 554 H C -0.198 175.361 175.328 0.386 0.000 1.087 554 H CA -0.085 56.156 56.048 0.322 0.000 1.405 554 H CB 1.009 31.049 29.762 0.463 0.000 1.460 554 H HN 0.401 nan 8.280 nan 0.000 0.538 555 V N 0.961 121.126 119.914 0.418 0.000 2.914 555 V HA 0.781 4.900 4.120 -0.001 0.000 0.314 555 V C -0.705 175.727 176.094 0.563 0.000 1.084 555 V CA -0.874 61.676 62.300 0.417 0.000 0.963 555 V CB 2.100 33.908 31.823 -0.026 0.000 1.025 555 V HN 0.459 nan 8.190 nan 0.000 0.432 556 V N 3.793 124.063 119.914 0.594 0.000 2.709 556 V HA 0.636 4.756 4.120 -0.001 0.000 0.308 556 V C -0.463 175.996 176.094 0.608 0.000 1.062 556 V CA -0.374 62.242 62.300 0.526 0.000 0.901 556 V CB 1.851 33.830 31.823 0.260 0.000 1.003 556 V HN 0.944 nan 8.190 nan 0.000 0.425 557 M N 4.010 123.939 119.600 0.548 0.000 2.404 557 M HA 0.499 4.979 4.480 -0.001 0.000 0.338 557 M C -0.512 176.073 176.300 0.475 0.000 1.150 557 M CA -0.275 55.323 55.300 0.496 0.000 1.016 557 M CB 1.229 34.062 32.600 0.389 0.000 1.672 557 M HN 0.757 nan 8.290 nan 0.000 0.448 558 H N 1.924 121.229 119.070 0.392 0.000 2.469 558 H HA 0.491 5.047 4.556 -0.001 0.000 0.342 558 H C -1.387 174.083 175.328 0.237 0.000 1.115 558 H CA -0.594 55.652 56.048 0.329 0.000 1.204 558 H CB 1.225 31.256 29.762 0.449 0.000 1.492 558 H HN 0.652 nan 8.280 nan 0.000 0.499 559 N N 3.049 121.517 118.700 -0.387 0.000 2.569 559 N HA 0.039 4.778 4.740 -0.001 0.000 0.254 559 N C 0.284 175.463 175.510 -0.552 0.000 1.004 559 N CA -0.307 52.529 53.050 -0.357 0.000 0.904 559 N CB 1.630 40.015 38.487 -0.170 0.000 1.165 559 N HN 0.637 nan 8.380 nan 0.000 0.513 560 T N 2.908 117.189 114.554 -0.455 0.000 3.085 560 T HA 0.179 4.528 4.350 -0.001 0.000 0.263 560 T C 0.691 175.355 174.700 -0.060 0.000 1.127 560 T CA 0.446 62.446 62.100 -0.168 0.000 1.103 560 T CB -0.237 68.677 68.868 0.077 0.000 0.921 560 T HN 0.419 nan 8.240 nan 0.000 0.510 561 L N 2.728 123.861 121.223 -0.149 0.000 2.417 561 L HA 0.319 4.659 4.340 -0.001 0.000 0.268 561 L C -1.663 175.065 176.870 -0.237 0.000 1.158 561 L CA -1.941 52.777 54.840 -0.204 0.000 0.819 561 L CB 0.644 42.446 42.059 -0.428 0.000 1.112 561 L HN -0.042 nan 8.230 nan 0.000 0.458 562 P HA 0.079 nan 4.420 nan 0.000 0.228 562 P C -1.046 176.271 177.300 0.028 0.000 1.764 562 P CA 0.236 63.324 63.100 -0.019 0.000 0.929 562 P CB -0.331 31.416 31.700 0.078 0.000 1.675 563 H N -3.023 116.067 119.070 0.034 0.000 3.012 563 H HA 0.247 4.803 4.556 -0.001 0.000 0.367 563 H C -1.026 174.330 175.328 0.048 0.000 1.211 563 H CA -1.049 55.039 56.048 0.067 0.000 1.139 563 H CB 0.038 29.867 29.762 0.111 0.000 1.838 563 H HN -0.118 nan 8.280 nan 0.000 0.550 564 W N 1.729 123.143 121.300 0.190 0.000 2.257 564 W HA 0.226 4.885 4.660 -0.001 0.000 0.337 564 W C 0.900 177.529 176.519 0.183 0.000 1.321 564 W CA 0.443 57.867 57.345 0.132 0.000 1.267 564 W CB 0.451 29.977 29.460 0.109 0.000 1.187 564 W HN 0.513 nan 8.180 nan 0.000 0.565 565 R N 2.311 123.022 120.500 0.352 0.000 2.604 565 R HA 0.291 4.631 4.340 -0.001 0.000 0.281 565 R C -1.073 175.365 176.300 0.230 0.000 1.020 565 R CA -0.666 55.593 56.100 0.264 0.000 0.899 565 R CB 1.390 31.768 30.300 0.130 0.000 1.205 565 R HN 0.498 nan 8.270 nan 0.000 0.450 566 E N 2.466 122.778 120.200 0.186 0.000 2.191 566 E HA 0.244 4.593 4.350 -0.001 0.000 0.274 566 E C -1.209 175.439 176.600 0.081 0.000 0.948 566 E CA -0.756 55.729 56.400 0.141 0.000 0.802 566 E CB 2.340 32.115 29.700 0.125 0.000 1.137 566 E HN 0.391 nan 8.360 nan 0.000 0.397 567 Q N 3.030 122.855 119.800 0.042 0.000 2.353 567 Q HA 0.266 4.606 4.340 -0.001 0.000 0.275 567 Q C -1.446 174.513 176.000 -0.069 0.000 1.029 567 Q CA -0.623 55.174 55.803 -0.010 0.000 0.848 567 Q CB 1.490 30.213 28.738 -0.026 0.000 1.390 567 Q HN 0.551 nan 8.270 nan 0.000 0.401 568 L N 3.126 124.304 121.223 -0.075 0.000 2.456 568 L HA 0.331 4.671 4.340 -0.001 0.000 0.272 568 L C 0.211 176.946 176.870 -0.225 0.000 1.189 568 L CA -0.316 54.440 54.840 -0.139 0.000 0.846 568 L CB 0.584 42.598 42.059 -0.075 0.000 1.111 568 L HN 0.471 nan 8.230 nan 0.000 0.475 569 V N -0.667 119.008 119.914 -0.398 0.000 2.823 569 V HA 0.690 4.809 4.120 -0.001 0.000 0.312 569 V C -0.909 174.917 176.094 -0.448 0.000 1.072 569 V CA -0.870 61.151 62.300 -0.465 0.000 0.937 569 V CB 2.122 33.617 31.823 -0.547 0.000 1.013 569 V HN 0.793 nan 8.190 nan 0.000 0.430 570 D N 1.712 121.846 120.400 -0.442 0.000 2.527 570 D HA 0.645 5.285 4.640 -0.001 0.000 0.233 570 D C -1.336 174.649 176.300 -0.523 0.000 1.063 570 D CA -0.454 53.400 54.000 -0.244 0.000 0.880 570 D CB 2.421 43.171 40.800 -0.084 0.000 1.457 570 D HN 0.446 nan 8.370 nan 0.000 0.475 571 F N -0.228 119.785 119.950 0.105 0.000 2.599 571 F HA 0.328 4.855 4.527 -0.001 0.000 0.311 571 F C -0.524 175.434 175.800 0.264 0.000 1.076 571 F CA -1.070 57.002 58.000 0.121 0.000 0.937 571 F CB 1.542 40.657 39.000 0.191 0.000 1.282 571 F HN 0.145 nan 8.300 nan 0.000 0.460 572 Y N 2.223 122.679 120.300 0.259 0.000 2.335 572 Y HA 0.539 5.088 4.550 -0.001 0.000 0.331 572 Y C 0.231 176.253 175.900 0.204 0.000 1.094 572 Y CA -1.401 56.804 58.100 0.175 0.000 1.253 572 Y CB 0.805 39.321 38.460 0.093 0.000 1.203 572 Y HN 0.341 nan 8.280 nan 0.000 0.508 573 V N -0.341 119.775 119.914 0.336 0.000 3.040 573 V HA 0.577 4.697 4.120 -0.001 0.000 0.312 573 V C 0.320 176.553 176.094 0.231 0.000 1.115 573 V CA -0.773 61.687 62.300 0.267 0.000 0.998 573 V CB 1.727 33.709 31.823 0.265 0.000 1.042 573 V HN 0.654 nan 8.190 nan 0.000 0.433 574 S N 0.103 115.919 115.700 0.193 0.000 2.631 574 S HA 0.284 4.753 4.470 -0.001 0.000 0.217 574 S C 0.638 175.381 174.600 0.239 0.000 0.958 574 S CA 0.439 58.739 58.200 0.167 0.000 0.920 574 S CB -0.245 63.023 63.200 0.113 0.000 0.776 574 S HN 1.427 nan 8.310 nan 0.000 0.517 575 S N 1.293 117.140 115.700 0.245 0.000 2.546 575 S HA 0.590 5.060 4.470 -0.001 0.000 0.274 575 S C -2.597 171.919 174.600 -0.140 0.000 1.121 575 S CA -1.425 56.808 58.200 0.054 0.000 0.887 575 S CB 1.951 65.180 63.200 0.048 0.000 1.094 575 S HN 0.015 nan 8.310 nan 0.000 0.474 576 P HA 0.190 nan 4.420 nan 0.000 0.240 576 P C -0.185 177.008 177.300 -0.177 0.000 1.190 576 P CA 0.332 63.082 63.100 -0.583 0.000 0.781 576 P CB -0.145 30.919 31.700 -1.060 0.000 0.931 577 F N 0.845 120.812 119.950 0.029 0.000 2.509 577 F HA 0.262 4.788 4.527 -0.001 0.000 0.344 577 F C 0.496 176.345 175.800 0.080 0.000 1.197 577 F CA -1.172 56.874 58.000 0.076 0.000 1.294 577 F CB -0.167 38.844 39.000 0.018 0.000 1.643 577 F HN -0.328 nan 8.300 nan 0.000 0.596 578 V N 0.981 121.036 119.914 0.236 0.000 2.656 578 V HA 0.678 4.797 4.120 -0.001 0.000 0.307 578 V C -0.310 175.854 176.094 0.116 0.000 1.051 578 V CA -0.823 61.571 62.300 0.157 0.000 0.893 578 V CB 2.302 34.211 31.823 0.143 0.000 0.999 578 V HN 0.495 nan 8.190 nan 0.000 0.426 579 S N 2.990 118.738 115.700 0.080 0.000 2.599 579 S HA 0.892 5.362 4.470 -0.001 0.000 0.294 579 S C -1.007 173.578 174.600 -0.025 0.000 1.094 579 S CA -0.832 57.394 58.200 0.044 0.000 0.931 579 S CB 2.098 65.340 63.200 0.070 0.000 1.093 579 S HN 0.432 nan 8.310 nan 0.000 0.488 580 V N 1.872 121.732 119.914 -0.089 0.000 2.555 580 V HA 0.803 4.923 4.120 -0.001 0.000 0.302 580 V C 0.065 176.069 176.094 -0.149 0.000 1.038 580 V CA -0.452 61.716 62.300 -0.221 0.000 0.887 580 V CB 1.606 33.104 31.823 -0.542 0.000 0.991 580 V HN 1.199 nan 8.190 nan 0.000 0.434 581 T N -0.464 114.023 114.554 -0.113 0.000 2.906 581 T HA 0.642 4.991 4.350 -0.001 0.000 0.295 581 T C -0.768 173.919 174.700 -0.021 0.000 1.075 581 T CA -0.906 61.152 62.100 -0.070 0.000 1.005 581 T CB 2.034 70.853 68.868 -0.081 0.000 1.136 581 T HN 0.720 nan 8.240 nan 0.000 0.498 582 D N 0.647 121.013 120.400 -0.057 0.000 2.447 582 D HA 0.195 4.834 4.640 -0.001 0.000 0.265 582 D C 0.655 176.825 176.300 -0.217 0.000 1.250 582 D CA -1.144 52.708 54.000 -0.246 0.000 1.046 582 D CB 0.312 40.959 40.800 -0.255 0.000 1.095 582 D HN 0.342 nan 8.370 nan 0.000 0.555 583 L N -0.644 120.431 121.223 -0.247 0.000 2.645 583 L HA 0.342 4.682 4.340 -0.001 0.000 0.234 583 L C 1.422 178.217 176.870 -0.126 0.000 1.165 583 L CA 0.330 55.064 54.840 -0.176 0.000 0.944 583 L CB -0.772 41.186 42.059 -0.168 0.000 1.149 583 L HN 0.623 nan 8.230 nan 0.000 0.446 584 A N -1.132 121.620 122.820 -0.114 0.000 2.423 584 A HA 0.184 4.504 4.320 -0.001 0.000 0.246 584 A C 1.086 178.626 177.584 -0.073 0.000 1.278 584 A CA -0.086 51.902 52.037 -0.082 0.000 0.903 584 A CB -0.390 18.569 19.000 -0.068 0.000 0.997 584 A HN 0.452 nan 8.150 nan 0.000 0.510 585 N N 0.336 118.985 118.700 -0.084 0.000 2.741 585 N HA -0.128 4.612 4.740 -0.001 0.000 0.251 585 N C -1.037 174.431 175.510 -0.069 0.000 1.112 585 N CA 0.616 53.624 53.050 -0.071 0.000 0.750 585 N CB -1.100 37.356 38.487 -0.052 0.000 1.119 585 N HN 0.600 nan 8.380 nan 0.000 0.561 586 N N 1.443 120.098 118.700 -0.076 0.000 2.488 586 N HA 0.288 5.027 4.740 -0.001 0.000 0.274 586 N C -2.411 173.033 175.510 -0.111 0.000 1.111 586 N CA -0.789 52.212 53.050 -0.082 0.000 0.974 586 N CB 0.766 39.215 38.487 -0.063 0.000 1.089 586 N HN 0.121 nan 8.380 nan 0.000 0.465 587 P HA 0.094 nan 4.420 nan 0.000 0.271 587 P C -0.443 176.724 177.300 -0.221 0.000 1.218 587 P CA -0.147 62.774 63.100 -0.298 0.000 0.780 587 P CB 0.751 31.979 31.700 -0.788 0.000 0.901 588 V N 2.165 121.993 119.914 -0.144 0.000 2.487 588 V HA 0.229 4.348 4.120 -0.001 0.000 0.298 588 V C 0.406 176.492 176.094 -0.012 0.000 1.028 588 V CA -0.829 61.444 62.300 -0.046 0.000 0.860 588 V CB 1.359 33.171 31.823 -0.019 0.000 0.991 588 V HN 0.547 nan 8.190 nan 0.000 0.427 589 E N 3.066 123.299 120.200 0.055 0.000 2.414 589 E HA 0.482 4.832 4.350 -0.001 0.000 0.263 589 E C -0.226 176.443 176.600 0.115 0.000 1.000 589 E CA 0.095 56.559 56.400 0.106 0.000 0.914 589 E CB 0.898 30.665 29.700 0.111 0.000 0.948 589 E HN 0.900 nan 8.360 nan 0.000 0.444 590 A N 4.157 127.034 122.820 0.095 0.000 2.556 590 A HA 0.414 4.733 4.320 -0.001 0.000 0.294 590 A C -1.358 176.246 177.584 0.033 0.000 1.091 590 A CA -0.717 51.387 52.037 0.112 0.000 0.704 590 A CB 1.960 21.021 19.000 0.101 0.000 1.300 590 A HN 0.667 nan 8.150 nan 0.000 0.406 591 Q N 0.847 120.677 119.800 0.050 0.000 2.356 591 Q HA 0.654 4.994 4.340 -0.001 0.000 0.270 591 Q C -1.982 174.020 176.000 0.002 0.000 1.058 591 Q CA -0.555 55.237 55.803 -0.018 0.000 0.802 591 Q CB 2.162 30.927 28.738 0.045 0.000 1.303 591 Q HN 0.581 nan 8.270 nan 0.000 0.444 592 V N 2.643 122.493 119.914 -0.106 0.000 2.459 592 V HA 0.564 4.684 4.120 -0.001 0.000 0.295 592 V C -0.518 175.766 176.094 0.318 0.000 1.029 592 V CA -0.315 62.041 62.300 0.093 0.000 0.874 592 V CB 1.818 33.670 31.823 0.048 0.000 0.985 592 V HN 0.849 nan 8.190 nan 0.000 0.438 593 S N 5.150 121.064 115.700 0.358 0.000 2.634 593 S HA 0.697 5.166 4.470 -0.001 0.000 0.296 593 S C -2.748 171.944 174.600 0.154 0.000 1.104 593 S CA -1.196 57.208 58.200 0.341 0.000 0.920 593 S CB 2.398 65.740 63.200 0.237 0.000 1.111 593 S HN 0.531 nan 8.310 nan 0.000 0.493 594 P HA 0.276 nan 4.420 nan 0.000 0.274 594 P C -1.176 175.824 177.300 -0.500 0.000 1.256 594 P CA -0.523 62.220 63.100 -0.596 0.000 0.795 594 P CB 0.390 31.316 31.700 -1.291 0.000 1.038 595 V N 1.455 120.985 119.914 -0.640 0.000 2.334 595 V HA 0.205 4.325 4.120 -0.001 0.000 0.267 595 V C -0.617 175.172 176.094 -0.509 0.000 1.040 595 V CA -0.183 61.819 62.300 -0.497 0.000 0.866 595 V CB -0.389 31.047 31.823 -0.645 0.000 1.019 595 V HN 0.514 nan 8.190 nan 0.000 0.468 596 W N 2.914 124.133 121.300 -0.134 0.000 2.433 596 W HA 0.621 5.280 4.660 -0.001 0.000 0.315 596 W C 0.324 176.776 176.519 -0.113 0.000 1.087 596 W CA -0.346 56.906 57.345 -0.155 0.000 1.205 596 W CB 1.784 31.159 29.460 -0.141 0.000 1.288 596 W HN 0.380 nan 8.180 nan 0.000 0.504 597 S N 2.020 117.777 115.700 0.094 0.000 2.502 597 S HA 0.393 4.863 4.470 -0.001 0.000 0.304 597 S C -1.420 173.062 174.600 -0.195 0.000 1.097 597 S CA -0.740 57.449 58.200 -0.019 0.000 1.045 597 S CB 0.830 64.001 63.200 -0.048 0.000 1.019 597 S HN 0.334 nan 8.310 nan 0.000 0.481 598 W N 2.787 123.942 121.300 -0.243 0.000 2.438 598 W HA 0.458 5.118 4.660 -0.001 0.000 0.324 598 W C 0.468 176.719 176.519 -0.447 0.000 1.119 598 W CA -0.312 56.901 57.345 -0.219 0.000 1.221 598 W CB 0.649 30.032 29.460 -0.128 0.000 1.253 598 W HN 0.551 nan 8.180 nan 0.000 0.555 599 H N 2.046 121.140 119.070 0.041 0.000 2.609 599 H HA 0.069 4.624 4.556 -0.001 0.000 0.344 599 H C -0.759 174.602 175.328 0.054 0.000 1.040 599 H CA -0.918 55.118 56.048 -0.019 0.000 1.216 599 H CB 1.608 31.272 29.762 -0.164 0.000 1.529 599 H HN 0.332 nan 8.280 nan 0.000 0.519 600 H N 3.089 122.216 119.070 0.095 0.000 3.330 600 H HA -0.028 4.528 4.556 -0.001 0.000 0.260 600 H C -0.334 175.047 175.328 0.089 0.000 1.439 600 H CA -0.293 55.806 56.048 0.085 0.000 1.540 600 H CB -0.482 29.312 29.762 0.055 0.000 1.698 600 H HN 0.469 nan 8.280 nan 0.000 0.516 601 D N 3.401 123.935 120.400 0.223 0.000 2.348 601 D HA -0.074 4.566 4.640 -0.001 0.000 0.259 601 D C 1.087 177.383 176.300 -0.007 0.000 1.296 601 D CA 0.307 54.378 54.000 0.117 0.000 0.931 601 D CB 0.472 41.450 40.800 0.297 0.000 1.067 601 D HN 0.711 nan 8.370 nan 0.000 0.503 602 T N 1.293 115.764 114.554 -0.138 0.000 3.118 602 T HA -0.055 4.294 4.350 -0.001 0.000 0.260 602 T C 1.724 176.388 174.700 -0.060 0.000 1.139 602 T CA 0.073 62.063 62.100 -0.182 0.000 1.085 602 T CB 0.144 68.891 68.868 -0.202 0.000 0.934 602 T HN 0.252 nan 8.240 nan 0.000 0.518 603 L N 2.104 123.317 121.223 -0.016 0.000 2.130 603 L HA 0.129 4.469 4.340 -0.001 0.000 0.200 603 L C 2.949 179.831 176.870 0.020 0.000 1.075 603 L CA 2.104 56.945 54.840 0.001 0.000 0.768 603 L CB -1.491 40.570 42.059 0.003 0.000 0.933 603 L HN 0.561 nan 8.230 nan 0.000 0.451 604 T N -3.998 110.583 114.554 0.045 0.000 3.081 604 T HA -0.001 4.349 4.350 -0.001 0.000 0.255 604 T C 0.778 175.522 174.700 0.073 0.000 1.113 604 T CA -0.158 61.970 62.100 0.046 0.000 1.082 604 T CB 0.115 69.004 68.868 0.035 0.000 0.939 604 T HN 0.107 nan 8.240 nan 0.000 0.506 605 K N 1.997 122.455 120.400 0.096 0.000 3.125 605 K HA -0.128 4.192 4.320 -0.001 0.000 0.268 605 K C 0.123 176.829 176.600 0.176 0.000 1.078 605 K CA 1.256 57.626 56.287 0.138 0.000 0.775 605 K CB -2.903 29.656 32.500 0.097 0.000 1.253 605 K HN 0.871 nan 8.250 nan 0.000 0.486 606 T N -2.760 111.931 114.554 0.228 0.000 2.901 606 T HA 0.813 5.162 4.350 -0.001 0.000 0.293 606 T C 0.246 175.170 174.700 0.374 0.000 1.084 606 T CA -1.063 61.189 62.100 0.253 0.000 1.008 606 T CB 2.287 71.275 68.868 0.201 0.000 1.170 606 T HN 0.143 nan 8.240 nan 0.000 0.509 607 I N 2.914 123.683 120.570 0.331 0.000 2.355 607 I HA 0.542 4.712 4.170 -0.001 0.000 0.288 607 I C -0.360 176.060 176.117 0.506 0.000 0.999 607 I CA -0.696 60.813 61.300 0.349 0.000 1.163 607 I CB 0.746 38.869 38.000 0.205 0.000 1.316 607 I HN 0.953 nan 8.210 nan 0.000 0.454 608 H N 5.712 124.973 119.070 0.319 0.000 3.017 608 H HA 0.663 5.219 4.556 -0.001 0.000 0.346 608 H C -3.198 171.941 175.328 -0.314 0.000 1.286 608 H CA -2.239 53.820 56.048 0.019 0.000 1.120 608 H CB 1.833 31.602 29.762 0.012 0.000 1.860 608 H HN 0.147 nan 8.280 nan 0.000 0.542 609 P HA 0.234 nan 4.420 nan 0.000 0.293 609 P C -1.042 176.204 177.300 -0.091 0.000 1.291 609 P CA -0.705 61.890 63.100 -0.842 0.000 0.867 609 P CB 2.019 32.812 31.700 -1.513 0.000 1.074 610 Q N 0.771 120.635 119.800 0.106 0.000 2.337 610 Q HA 0.609 4.949 4.340 -0.001 0.000 0.266 610 Q C 0.153 176.245 176.000 0.154 0.000 1.023 610 Q CA -0.462 55.452 55.803 0.186 0.000 0.829 610 Q CB 2.533 31.311 28.738 0.067 0.000 1.306 610 Q HN 0.622 nan 8.270 nan 0.000 0.449 611 G N 0.458 109.213 108.800 -0.075 0.000 2.389 611 G HA2 0.392 4.351 3.960 -0.001 0.000 0.328 611 G HA3 0.392 4.351 3.960 -0.001 0.000 0.328 611 G C -0.468 174.172 174.900 -0.434 0.000 1.133 611 G CA -0.344 44.375 45.100 -0.635 0.000 0.891 611 G HN 0.438 nan 8.290 nan 0.000 0.485 612 S N -0.824 114.566 115.700 -0.516 0.000 2.580 612 S HA 0.356 4.826 4.470 -0.001 0.000 0.274 612 S C 1.509 175.853 174.600 -0.427 0.000 1.329 612 S CA 0.255 58.197 58.200 -0.429 0.000 1.036 612 S CB 0.800 63.688 63.200 -0.521 0.000 0.919 612 S HN 0.909 nan 8.310 nan 0.000 0.515 613 T N -0.365 114.017 114.554 -0.286 0.000 3.092 613 T HA 0.182 4.532 4.350 -0.001 0.000 0.258 613 T C 1.000 175.611 174.700 -0.148 0.000 1.031 613 T CA 0.412 62.413 62.100 -0.166 0.000 0.925 613 T CB -0.194 68.629 68.868 -0.075 0.000 1.036 613 T HN 0.701 nan 8.240 nan 0.000 0.544 614 T N -1.488 112.875 114.554 -0.319 0.000 3.046 614 T HA 0.314 4.663 4.350 -0.001 0.000 0.270 614 T C 0.140 174.617 174.700 -0.371 0.000 0.920 614 T CA -0.550 61.420 62.100 -0.216 0.000 0.874 614 T CB 0.124 68.920 68.868 -0.120 0.000 1.214 614 T HN 0.630 nan 8.240 nan 0.000 0.536 615 K N 0.056 120.007 120.400 -0.747 0.000 2.477 615 K HA 0.689 5.009 4.320 -0.001 0.000 0.255 615 K C -2.032 173.864 176.600 -1.173 0.000 0.952 615 K CA -0.969 54.891 56.287 -0.712 0.000 0.826 615 K CB 1.890 34.149 32.500 -0.401 0.000 1.331 615 K HN 0.110 nan 8.250 nan 0.000 0.437 616 Y N -0.075 120.146 120.300 -0.131 0.000 2.581 616 Y HA 0.466 5.015 4.550 -0.001 0.000 0.345 616 Y C -0.396 175.521 175.900 0.028 0.000 1.036 616 Y CA -1.137 56.922 58.100 -0.070 0.000 1.042 616 Y CB 2.302 40.794 38.460 0.052 0.000 1.289 616 Y HN 0.383 nan 8.280 nan 0.000 0.471 617 R N 1.757 122.394 120.500 0.229 0.000 2.294 617 R HA 0.593 4.932 4.340 -0.001 0.000 0.319 617 R C -1.258 175.219 176.300 0.296 0.000 0.984 617 R CA -0.668 55.612 56.100 0.299 0.000 0.861 617 R CB 1.722 32.176 30.300 0.257 0.000 1.104 617 R HN 0.661 nan 8.270 nan 0.000 0.451 618 I N 4.147 124.914 120.570 0.327 0.000 2.441 618 I HA 0.436 4.606 4.170 -0.001 0.000 0.295 618 I C -1.039 175.272 176.117 0.322 0.000 0.994 618 I CA -0.776 60.706 61.300 0.304 0.000 1.144 618 I CB 1.104 39.295 38.000 0.319 0.000 1.314 618 I HN 0.541 nan 8.210 nan 0.000 0.445 619 I N 8.072 128.798 120.570 0.261 0.000 2.498 619 I HA 0.518 4.688 4.170 -0.001 0.000 0.290 619 I C -0.999 175.273 176.117 0.258 0.000 1.032 619 I CA -0.540 60.862 61.300 0.170 0.000 1.073 619 I CB 1.670 39.731 38.000 0.103 0.000 1.251 619 I HN 0.519 nan 8.210 nan 0.000 0.426 620 F N 2.776 122.753 119.950 0.043 0.000 2.713 620 F HA 0.568 5.094 4.527 -0.001 0.000 0.311 620 F C -1.108 174.676 175.800 -0.027 0.000 1.141 620 F CA -1.296 56.707 58.000 0.004 0.000 0.939 620 F CB 1.338 40.326 39.000 -0.020 0.000 1.325 620 F HN 0.203 nan 8.300 nan 0.000 0.453 621 K N 1.949 122.447 120.400 0.164 0.000 2.285 621 K HA 0.734 5.054 4.320 -0.001 0.000 0.286 621 K C -0.643 176.010 176.600 0.090 0.000 1.072 621 K CA -0.374 55.944 56.287 0.051 0.000 0.913 621 K CB 0.889 33.451 32.500 0.103 0.000 1.067 621 K HN 0.929 nan 8.250 nan 0.000 0.479 622 A N 4.556 127.333 122.820 -0.073 0.000 2.310 622 A HA 0.406 4.726 4.320 -0.001 0.000 0.299 622 A C -0.627 177.099 177.584 0.237 0.000 1.147 622 A CA -0.666 51.407 52.037 0.060 0.000 0.818 622 A CB 0.659 19.655 19.000 -0.007 0.000 1.096 622 A HN 0.883 nan 8.150 nan 0.000 0.495 623 R N 1.996 122.750 120.500 0.423 0.000 2.439 623 R HA 0.606 4.946 4.340 -0.001 0.000 0.310 623 R C -1.954 174.617 176.300 0.451 0.000 0.955 623 R CA -0.247 56.086 56.100 0.389 0.000 0.853 623 R CB 1.340 31.847 30.300 0.345 0.000 1.171 623 R HN 0.489 nan 8.270 nan 0.000 0.449 624 V N 6.085 126.221 119.914 0.370 0.000 2.656 624 V HA 0.474 4.593 4.120 -0.001 0.000 0.307 624 V C -2.260 173.748 176.094 -0.144 0.000 1.051 624 V CA -2.344 60.066 62.300 0.184 0.000 0.893 624 V CB 1.952 33.855 31.823 0.133 0.000 0.999 624 V HN 0.788 nan 8.190 nan 0.000 0.426 625 P HA 0.227 nan 4.420 nan 0.000 0.271 625 P C -2.748 174.072 177.300 -0.800 0.000 1.244 625 P CA -1.387 60.808 63.100 -1.508 0.000 0.793 625 P CB -0.226 30.790 31.700 -1.141 0.000 0.984 626 P HA 0.090 nan 4.420 nan 0.000 0.264 626 P C 0.096 177.358 177.300 -0.064 0.000 1.193 626 P CA 0.615 63.526 63.100 -0.315 0.000 0.763 626 P CB -0.241 31.343 31.700 -0.194 0.000 0.810 627 M N 0.218 119.822 119.600 0.008 0.000 2.333 627 M HA -0.212 4.267 4.480 -0.001 0.000 0.199 627 M C 0.568 177.081 176.300 0.355 0.000 0.376 627 M CA 1.010 56.463 55.300 0.254 0.000 0.440 627 M CB -2.104 30.735 32.600 0.398 0.000 1.506 627 M HN 0.588 nan 8.290 nan 0.000 0.889 628 G N -0.188 108.670 108.800 0.096 0.000 3.022 628 G HA2 0.932 4.891 3.960 -0.001 0.000 0.284 628 G HA3 0.932 4.891 3.960 -0.001 0.000 0.284 628 G C -1.339 173.699 174.900 0.228 0.000 1.375 628 G CA -0.970 44.154 45.100 0.040 0.000 0.902 628 G HN 0.168 nan 8.290 nan 0.000 0.538 629 L N -0.493 120.848 121.223 0.197 0.000 2.388 629 L HA 0.805 5.144 4.340 -0.001 0.000 0.264 629 L C -0.238 176.733 176.870 0.168 0.000 0.998 629 L CA -1.038 53.951 54.840 0.248 0.000 0.817 629 L CB 2.476 44.687 42.059 0.253 0.000 1.338 629 L HN 0.762 nan 8.230 nan 0.000 0.414 630 A N 0.784 123.743 122.820 0.233 0.000 2.427 630 A HA 0.801 5.121 4.320 -0.001 0.000 0.298 630 A C -0.797 176.930 177.584 0.238 0.000 1.036 630 A CA -0.444 51.705 52.037 0.188 0.000 0.701 630 A CB 1.739 20.898 19.000 0.265 0.000 1.250 630 A HN 0.555 nan 8.150 nan 0.000 0.412 631 T N 2.158 116.744 114.554 0.054 0.000 2.829 631 T HA 0.649 4.999 4.350 -0.001 0.000 0.282 631 T C -1.061 173.547 174.700 -0.155 0.000 0.990 631 T CA 0.249 62.427 62.100 0.131 0.000 1.028 631 T CB 0.337 69.277 68.868 0.120 0.000 0.951 631 T HN 0.438 nan 8.240 nan 0.000 0.460 632 Y N 0.357 120.738 120.300 0.135 0.000 2.605 632 Y HA 0.674 5.223 4.550 -0.001 0.000 0.343 632 Y C -0.311 175.503 175.900 -0.142 0.000 1.036 632 Y CA -1.160 56.931 58.100 -0.015 0.000 1.065 632 Y CB 1.672 40.137 38.460 0.008 0.000 1.288 632 Y HN 0.302 nan 8.280 nan 0.000 0.481 633 V N 3.109 122.980 119.914 -0.072 0.000 2.588 633 V HA 0.444 4.563 4.120 -0.001 0.000 0.304 633 V C -0.775 175.260 176.094 -0.100 0.000 1.042 633 V CA -0.965 61.230 62.300 -0.174 0.000 0.877 633 V CB 1.759 33.413 31.823 -0.280 0.000 0.996 633 V HN 0.488 nan 8.190 nan 0.000 0.425 634 L N 3.823 125.016 121.223 -0.049 0.000 2.296 634 L HA 0.692 5.031 4.340 -0.001 0.000 0.286 634 L C -0.125 176.763 176.870 0.029 0.000 1.023 634 L CA -0.155 54.672 54.840 -0.022 0.000 0.812 634 L CB 1.762 43.822 42.059 0.001 0.000 1.223 634 L HN 0.593 nan 8.230 nan 0.000 0.421 635 T N 3.633 118.209 114.554 0.035 0.000 2.861 635 T HA 0.465 4.815 4.350 -0.001 0.000 0.287 635 T C -0.223 174.527 174.700 0.084 0.000 1.003 635 T CA -0.384 61.752 62.100 0.059 0.000 0.977 635 T CB 2.400 71.292 68.868 0.041 0.000 0.996 635 T HN 0.389 nan 8.240 nan 0.000 0.448 636 I N 3.090 123.719 120.570 0.097 0.000 2.662 636 I HA 0.538 4.708 4.170 -0.001 0.000 0.291 636 I C 0.294 176.478 176.117 0.112 0.000 1.046 636 I CA 0.177 61.551 61.300 0.123 0.000 1.361 636 I CB 0.760 38.835 38.000 0.125 0.000 1.429 636 I HN 0.835 nan 8.210 nan 0.000 0.558 637 S N 3.397 119.182 115.700 0.142 0.000 2.697 637 S HA 0.412 4.882 4.470 -0.001 0.000 0.289 637 S C -0.223 174.419 174.600 0.070 0.000 1.149 637 S CA -0.812 57.436 58.200 0.080 0.000 0.850 637 S CB 1.589 64.817 63.200 0.047 0.000 1.151 637 S HN 0.596 nan 8.310 nan 0.000 0.491 638 D N 1.063 121.444 120.400 -0.031 0.000 2.347 638 D HA 0.200 4.839 4.640 -0.001 0.000 0.213 638 D C 0.871 176.940 176.300 -0.386 0.000 0.985 638 D CA 1.047 54.998 54.000 -0.081 0.000 0.879 638 D CB 0.107 40.867 40.800 -0.067 0.000 0.919 638 D HN 0.664 nan 8.370 nan 0.000 0.526 639 S N -1.544 113.802 115.700 -0.591 0.000 2.727 639 S HA 0.320 4.790 4.470 -0.001 0.000 0.278 639 S C -0.817 173.288 174.600 -0.824 0.000 1.186 639 S CA -1.137 56.383 58.200 -1.133 0.000 0.836 639 S CB 1.742 64.604 63.200 -0.564 0.000 1.186 639 S HN -0.197 nan 8.310 nan 0.000 0.499 640 K N 2.032 122.069 120.400 -0.605 0.000 2.453 640 K HA 0.238 4.557 4.320 -0.001 0.000 0.280 640 K C -2.402 174.209 176.600 0.018 0.000 1.045 640 K CA -0.711 55.559 56.287 -0.030 0.000 1.059 640 K CB -0.466 32.070 32.500 0.061 0.000 0.901 640 K HN 0.370 nan 8.250 nan 0.000 0.475 641 P HA 0.009 nan 4.420 nan 0.000 0.274 641 P C 0.488 177.805 177.300 0.029 0.000 1.237 641 P CA -0.330 62.811 63.100 0.067 0.000 0.793 641 P CB 0.738 32.504 31.700 0.109 0.000 0.977 642 E N 0.606 120.785 120.200 -0.034 0.000 2.118 642 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 642 E C 0.291 176.712 176.600 -0.299 0.000 0.992 642 E CA 1.364 57.646 56.400 -0.198 0.000 0.804 642 E CB -0.106 29.392 29.700 -0.336 0.000 0.741 642 E HN 0.549 nan 8.360 nan 0.000 0.458 643 H N -1.225 117.853 119.070 0.014 0.000 2.505 643 H HA 0.254 4.809 4.556 -0.001 0.000 0.286 643 H C -0.862 174.458 175.328 -0.012 0.000 1.072 643 H CA 0.021 56.073 56.048 0.005 0.000 1.141 643 H CB 1.027 30.792 29.762 0.005 0.000 1.550 643 H HN -0.117 nan 8.280 nan 0.000 0.547 644 T N 0.786 115.361 114.554 0.035 0.000 2.792 644 T HA 0.404 4.754 4.350 -0.001 0.000 0.280 644 T C -0.017 174.555 174.700 -0.212 0.000 0.990 644 T CA -0.865 61.184 62.100 -0.085 0.000 0.960 644 T CB 1.568 70.382 68.868 -0.091 0.000 0.939 644 T HN 0.313 nan 8.240 nan 0.000 0.439 645 S N 2.339 117.871 115.700 -0.280 0.000 2.718 645 S HA 0.782 5.251 4.470 -0.001 0.000 0.300 645 S C -1.416 172.831 174.600 -0.589 0.000 1.117 645 S CA -0.814 57.228 58.200 -0.263 0.000 1.002 645 S CB 0.893 64.060 63.200 -0.054 0.000 1.092 645 S HN 0.573 nan 8.310 nan 0.000 0.542 646 Y N 0.015 120.321 120.300 0.011 0.000 2.361 646 Y HA 0.648 5.197 4.550 -0.001 0.000 0.337 646 Y C 0.571 176.524 175.900 0.087 0.000 0.965 646 Y CA -0.750 57.338 58.100 -0.020 0.000 1.091 646 Y CB 1.706 40.014 38.460 -0.254 0.000 1.182 646 Y HN 1.043 nan 8.280 nan 0.000 0.450 647 A N 2.079 125.094 122.820 0.325 0.000 2.445 647 A HA 0.477 4.797 4.320 -0.001 0.000 0.242 647 A C 0.335 178.124 177.584 0.342 0.000 1.075 647 A CA -0.266 51.948 52.037 0.295 0.000 0.777 647 A CB -0.064 19.110 19.000 0.290 0.000 1.013 647 A HN 0.771 nan 8.150 nan 0.000 0.493 648 S N 1.995 117.829 115.700 0.224 0.000 2.652 648 S HA 0.523 4.992 4.470 -0.001 0.000 0.270 648 S C -0.313 174.391 174.600 0.173 0.000 1.243 648 S CA -0.838 57.480 58.200 0.195 0.000 0.999 648 S CB 0.686 63.957 63.200 0.117 0.000 0.973 648 S HN 0.699 nan 8.310 nan 0.000 0.544 649 N N 0.406 119.183 118.700 0.130 0.000 2.310 649 N HA 0.473 5.212 4.740 -0.001 0.000 0.292 649 N C -2.031 173.428 175.510 -0.085 0.000 1.049 649 N CA -0.532 52.553 53.050 0.059 0.000 0.849 649 N CB 2.028 40.641 38.487 0.210 0.000 1.532 649 N HN 0.578 nan 8.380 nan 0.000 0.479 650 L N 2.509 123.640 121.223 -0.154 0.000 2.406 650 L HA 0.507 4.847 4.340 -0.001 0.000 0.272 650 L C -1.535 175.183 176.870 -0.253 0.000 0.980 650 L CA -0.534 54.183 54.840 -0.205 0.000 0.831 650 L CB 1.560 43.554 42.059 -0.108 0.000 1.253 650 L HN 0.444 nan 8.230 nan 0.000 0.406 651 L N 6.713 127.742 121.223 -0.325 0.000 2.280 651 L HA 0.475 4.814 4.340 -0.001 0.000 0.287 651 L C -1.256 175.593 176.870 -0.035 0.000 1.023 651 L CA -0.442 54.268 54.840 -0.216 0.000 0.819 651 L CB 1.281 43.206 42.059 -0.223 0.000 1.212 651 L HN 0.685 nan 8.230 nan 0.000 0.420 652 L N 6.781 127.998 121.223 -0.010 0.000 2.265 652 L HA 0.560 4.899 4.340 -0.001 0.000 0.289 652 L C -0.328 176.581 176.870 0.065 0.000 1.033 652 L CA -0.517 54.346 54.840 0.039 0.000 0.814 652 L CB 1.124 43.197 42.059 0.025 0.000 1.203 652 L HN 0.660 nan 8.230 nan 0.000 0.423 653 R N 2.030 122.579 120.500 0.081 0.000 2.739 653 R HA 0.420 4.760 4.340 -0.001 0.000 0.266 653 R C -1.662 174.671 176.300 0.055 0.000 1.044 653 R CA -1.043 55.098 56.100 0.069 0.000 0.885 653 R CB 0.968 31.309 30.300 0.068 0.000 1.260 653 R HN 0.095 nan 8.270 nan 0.000 0.477 654 K N 1.453 121.875 120.400 0.037 0.000 2.168 654 K HA 0.138 4.457 4.320 -0.001 0.000 0.258 654 K C -0.061 176.537 176.600 -0.003 0.000 1.010 654 K CA -0.344 55.955 56.287 0.020 0.000 0.929 654 K CB 0.353 32.864 32.500 0.018 0.000 0.998 654 K HN 0.843 nan 8.250 nan 0.000 0.479 655 N N 0.437 119.123 118.700 -0.023 0.000 2.758 655 N HA -0.109 4.630 4.740 -0.001 0.000 0.248 655 N C -2.555 172.901 175.510 -0.089 0.000 1.076 655 N CA 0.187 53.206 53.050 -0.053 0.000 0.696 655 N CB -0.844 37.615 38.487 -0.046 0.000 0.979 655 N HN 0.402 nan 8.380 nan 0.000 0.550 656 P HA 0.276 nan 4.420 nan 0.000 0.274 656 P C -0.055 177.071 177.300 -0.290 0.000 1.237 656 P CA -0.025 62.968 63.100 -0.177 0.000 0.793 656 P CB 0.938 32.502 31.700 -0.226 0.000 0.977 657 T N -2.811 111.567 114.554 -0.294 0.000 2.907 657 T HA 0.512 4.862 4.350 -0.001 0.000 0.290 657 T C 0.251 174.754 174.700 -0.327 0.000 1.066 657 T CA -0.750 61.179 62.100 -0.285 0.000 1.012 657 T CB 0.574 69.347 68.868 -0.158 0.000 1.184 657 T HN 0.470 nan 8.240 nan 0.000 0.522 658 S N 0.296 115.869 115.700 -0.212 0.000 2.584 658 S HA 0.484 4.954 4.470 -0.001 0.000 0.270 658 S C -0.192 174.494 174.600 0.144 0.000 1.346 658 S CA -0.851 57.314 58.200 -0.057 0.000 1.018 658 S CB -0.243 62.947 63.200 -0.017 0.000 0.899 658 S HN 0.691 nan 8.310 nan 0.000 0.542 659 L N 2.076 123.488 121.223 0.316 0.000 2.480 659 L HA 0.368 4.707 4.340 -0.001 0.000 0.253 659 L C -2.442 174.537 176.870 0.181 0.000 1.324 659 L CA -1.639 53.371 54.840 0.284 0.000 0.916 659 L CB 1.679 43.998 42.059 0.432 0.000 1.160 659 L HN 0.578 nan 8.230 nan 0.000 0.503 660 P HA 0.182 nan 4.420 nan 0.000 0.275 660 P C -0.047 177.250 177.300 -0.005 0.000 1.228 660 P CA -0.161 62.974 63.100 0.058 0.000 0.786 660 P CB 1.611 33.334 31.700 0.037 0.000 0.927 661 L N 1.089 122.318 121.223 0.010 0.000 3.288 661 L HA 0.284 4.623 4.340 -0.001 0.000 0.293 661 L C 1.377 178.312 176.870 0.107 0.000 1.294 661 L CA -0.133 54.691 54.840 -0.027 0.000 1.006 661 L CB -0.013 42.007 42.059 -0.066 0.000 1.407 661 L HN 0.723 nan 8.230 nan 0.000 0.592 662 G N 0.997 109.841 108.800 0.074 0.000 2.611 662 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.301 662 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.301 662 G C 0.518 175.470 174.900 0.086 0.000 1.233 662 G CA 0.641 45.803 45.100 0.104 0.000 0.993 662 G HN 0.454 nan 8.290 nan 0.000 0.553 663 Q N -0.471 119.357 119.800 0.047 0.000 2.482 663 Q HA 0.171 4.511 4.340 -0.001 0.000 0.209 663 Q C 0.788 176.618 176.000 -0.283 0.000 0.961 663 Q CA 0.174 55.897 55.803 -0.134 0.000 0.945 663 Q CB 0.229 28.783 28.738 -0.306 0.000 1.012 663 Q HN 0.493 nan 8.270 nan 0.000 0.515 664 Y N 3.393 123.500 120.300 -0.322 0.000 2.721 664 Y HA -0.038 4.512 4.550 -0.001 0.000 0.329 664 Y C -1.475 174.273 175.900 -0.254 0.000 1.211 664 Y CA -1.499 56.383 58.100 -0.364 0.000 1.512 664 Y CB 0.841 39.239 38.460 -0.105 0.000 1.249 664 Y HN 0.050 nan 8.280 nan 0.000 0.549 665 P HA -0.029 nan 4.420 nan 0.000 0.245 665 P C -0.760 176.380 177.300 -0.267 0.000 1.212 665 P CA 0.861 63.695 63.100 -0.444 0.000 0.774 665 P CB 0.510 31.845 31.700 -0.610 0.000 0.999 666 E N 1.023 121.106 120.200 -0.195 0.000 2.176 666 E HA 0.211 4.561 4.350 -0.001 0.000 0.267 666 E C -0.573 176.152 176.600 0.208 0.000 0.893 666 E CA -0.567 55.863 56.400 0.050 0.000 0.761 666 E CB 1.510 31.283 29.700 0.122 0.000 1.133 666 E HN 0.037 nan 8.360 nan 0.000 0.409 667 D N 1.431 121.910 120.400 0.133 0.000 2.382 667 D HA 0.081 4.721 4.640 -0.001 0.000 0.245 667 D C 0.244 176.611 176.300 0.112 0.000 1.120 667 D CA -0.226 53.857 54.000 0.138 0.000 0.890 667 D CB 1.160 42.028 40.800 0.113 0.000 1.201 667 D HN 0.039 nan 8.370 nan 0.000 0.433 668 V N 2.698 122.666 119.914 0.089 0.000 2.673 668 V HA -0.047 4.072 4.120 -0.001 0.000 0.303 668 V C 0.670 176.593 176.094 -0.285 0.000 1.046 668 V CA 0.297 62.546 62.300 -0.085 0.000 1.126 668 V CB 0.423 32.178 31.823 -0.113 0.000 0.934 668 V HN 0.369 nan 8.190 nan 0.000 0.487 669 K N 3.473 123.641 120.400 -0.385 0.000 2.166 669 K HA 0.737 5.056 4.320 -0.001 0.000 0.245 669 K C -0.991 175.197 176.600 -0.687 0.000 0.967 669 K CA -0.205 55.892 56.287 -0.317 0.000 0.863 669 K CB 1.277 33.718 32.500 -0.099 0.000 1.107 669 K HN 0.407 nan 8.250 nan 0.000 0.436 670 F N -0.498 119.465 119.950 0.022 0.000 2.577 670 F HA 0.786 5.312 4.527 -0.001 0.000 0.318 670 F C 0.592 176.397 175.800 0.008 0.000 1.065 670 F CA -0.613 57.391 58.000 0.007 0.000 0.929 670 F CB 2.710 41.713 39.000 0.004 0.000 1.237 670 F HN 0.525 nan 8.300 nan 0.000 0.468 671 G N 0.442 109.348 108.800 0.176 0.000 2.623 671 G HA2 0.408 4.367 3.960 -0.001 0.000 0.290 671 G HA3 0.408 4.367 3.960 -0.001 0.000 0.290 671 G C -2.102 172.852 174.900 0.090 0.000 1.437 671 G CA -0.831 44.334 45.100 0.108 0.000 0.798 671 G HN 0.368 nan 8.290 nan 0.000 0.488 672 D N 0.694 121.134 120.400 0.066 0.000 2.357 672 D HA 0.375 5.015 4.640 -0.001 0.000 0.242 672 D C -1.992 174.338 176.300 0.051 0.000 1.153 672 D CA -0.623 53.409 54.000 0.054 0.000 0.918 672 D CB 0.868 41.694 40.800 0.043 0.000 1.181 672 D HN 0.001 nan 8.370 nan 0.000 0.435 673 P HA 0.052 nan 4.420 nan 0.000 0.264 673 P C -0.502 176.827 177.300 0.049 0.000 1.183 673 P CA 0.485 63.616 63.100 0.052 0.000 0.763 673 P CB 0.411 32.143 31.700 0.054 0.000 0.807 674 R N 0.554 121.085 120.500 0.052 0.000 2.690 674 R HA 0.426 4.766 4.340 -0.001 0.000 0.269 674 R C -1.121 175.219 176.300 0.067 0.000 1.037 674 R CA -1.026 55.105 56.100 0.052 0.000 0.877 674 R CB 1.143 31.469 30.300 0.044 0.000 1.255 674 R HN 0.233 nan 8.270 nan 0.000 0.467 675 E N 1.512 121.752 120.200 0.066 0.000 2.398 675 E HA 0.265 4.615 4.350 -0.001 0.000 0.263 675 E C -0.023 176.636 176.600 0.097 0.000 1.046 675 E CA 0.003 56.457 56.400 0.090 0.000 0.908 675 E CB 0.849 30.586 29.700 0.060 0.000 0.963 675 E HN 0.451 nan 8.360 nan 0.000 0.431 676 I N -2.254 118.410 120.570 0.157 0.000 3.095 676 I HA 0.552 4.722 4.170 -0.001 0.000 0.310 676 I C -0.753 175.512 176.117 0.246 0.000 1.196 676 I CA -0.780 60.612 61.300 0.153 0.000 0.985 676 I CB 2.488 40.552 38.000 0.107 0.000 1.250 676 I HN 0.142 nan 8.210 nan 0.000 0.446 677 S N 3.167 118.983 115.700 0.194 0.000 2.549 677 S HA 0.848 5.318 4.470 -0.001 0.000 0.280 677 S C -0.901 173.821 174.600 0.202 0.000 1.109 677 S CA -0.645 57.686 58.200 0.218 0.000 0.905 677 S CB 1.833 65.106 63.200 0.122 0.000 1.081 677 S HN 0.547 nan 8.310 nan 0.000 0.477 678 L N 1.882 123.253 121.223 0.246 0.000 2.434 678 L HA 0.685 5.024 4.340 -0.001 0.000 0.260 678 L C -0.523 176.445 176.870 0.162 0.000 0.983 678 L CA -0.661 54.294 54.840 0.191 0.000 0.820 678 L CB 2.329 44.514 42.059 0.210 0.000 1.361 678 L HN 0.528 nan 8.230 nan 0.000 0.410 679 R N 1.690 122.262 120.500 0.119 0.000 2.533 679 R HA 0.684 5.023 4.340 -0.001 0.000 0.288 679 R C -2.046 174.303 176.300 0.082 0.000 1.039 679 R CA -0.477 55.681 56.100 0.096 0.000 0.909 679 R CB 2.245 32.593 30.300 0.079 0.000 1.195 679 R HN 0.409 nan 8.270 nan 0.000 0.438 680 V N 4.613 124.574 119.914 0.078 0.000 2.483 680 V HA 0.557 4.677 4.120 -0.001 0.000 0.295 680 V C 1.129 177.256 176.094 0.055 0.000 1.035 680 V CA 0.639 62.979 62.300 0.067 0.000 0.896 680 V CB 1.142 33.007 31.823 0.069 0.000 0.986 680 V HN 1.118 nan 8.190 nan 0.000 0.447 681 G N 5.069 113.899 108.800 0.051 0.000 2.614 681 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.303 681 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.303 681 G C 0.370 175.292 174.900 0.037 0.000 1.270 681 G CA 0.714 45.839 45.100 0.042 0.000 0.988 681 G HN 1.221 nan 8.290 nan 0.000 0.551 682 N N 1.619 120.337 118.700 0.030 0.000 2.273 682 N HA 0.431 5.170 4.740 -0.001 0.000 0.231 682 N C 0.894 176.416 175.510 0.019 0.000 1.134 682 N CA 1.049 54.113 53.050 0.023 0.000 0.856 682 N CB 0.035 38.532 38.487 0.017 0.000 1.068 682 N HN 0.966 nan 8.380 nan 0.000 0.510 683 G N 0.956 109.772 108.800 0.027 0.000 2.516 683 G HA2 0.331 4.290 3.960 -0.001 0.000 0.276 683 G HA3 0.331 4.290 3.960 -0.001 0.000 0.276 683 G C -2.405 172.508 174.900 0.022 0.000 1.390 683 G CA -1.007 44.108 45.100 0.024 0.000 1.050 683 G HN 0.153 nan 8.290 nan 0.000 0.519 684 P HA 0.204 nan 4.420 nan 0.000 0.274 684 P C -0.471 176.852 177.300 0.038 0.000 1.237 684 P CA -0.009 63.099 63.100 0.014 0.000 0.793 684 P CB 0.782 32.486 31.700 0.006 0.000 0.977 685 T N 2.399 116.975 114.554 0.036 0.000 2.767 685 T HA 0.437 4.787 4.350 -0.001 0.000 0.288 685 T C 0.044 174.784 174.700 0.068 0.000 0.963 685 T CA -0.341 61.804 62.100 0.076 0.000 1.019 685 T CB 0.041 68.968 68.868 0.098 0.000 0.923 685 T HN 0.171 nan 8.240 nan 0.000 0.468 686 L N 2.734 124.001 121.223 0.074 0.000 2.322 686 L HA 0.763 5.102 4.340 -0.001 0.000 0.281 686 L C 0.174 176.980 176.870 -0.106 0.000 1.014 686 L CA -1.147 53.653 54.840 -0.067 0.000 0.815 686 L CB 1.549 43.569 42.059 -0.065 0.000 1.247 686 L HN 0.647 nan 8.230 nan 0.000 0.421 687 A N 3.302 125.965 122.820 -0.261 0.000 2.337 687 A HA 0.865 5.184 4.320 -0.001 0.000 0.329 687 A C -1.211 176.132 177.584 -0.400 0.000 1.146 687 A CA -0.310 51.632 52.037 -0.160 0.000 0.800 687 A CB 0.840 19.786 19.000 -0.091 0.000 1.220 687 A HN 0.506 nan 8.150 nan 0.000 0.472 688 F N 0.864 120.856 119.950 0.070 0.000 2.546 688 F HA 0.527 5.053 4.527 -0.001 0.000 0.320 688 F C 1.104 176.952 175.800 0.079 0.000 1.076 688 F CA -0.289 57.770 58.000 0.099 0.000 0.928 688 F CB 2.182 41.243 39.000 0.102 0.000 1.189 688 F HN 0.686 nan 8.300 nan 0.000 0.465 689 S N 0.116 115.980 115.700 0.272 0.000 2.617 689 S HA 0.085 4.554 4.470 -0.001 0.000 0.259 689 S C 1.042 175.749 174.600 0.178 0.000 1.301 689 S CA -0.021 58.285 58.200 0.177 0.000 0.984 689 S CB 0.667 63.970 63.200 0.172 0.000 0.954 689 S HN 0.855 nan 8.310 nan 0.000 0.572 690 E N -0.220 120.051 120.200 0.119 0.000 2.409 690 E HA -0.175 4.175 4.350 -0.001 0.000 0.198 690 E C 1.211 177.876 176.600 0.107 0.000 1.024 690 E CA 0.865 57.326 56.400 0.101 0.000 0.861 690 E CB -0.423 29.320 29.700 0.072 0.000 0.788 690 E HN 0.765 nan 8.360 nan 0.000 0.521 691 Q N 0.167 120.046 119.800 0.131 0.000 2.280 691 Q HA 0.226 4.565 4.340 -0.001 0.000 0.202 691 Q C 0.848 176.941 176.000 0.156 0.000 0.903 691 Q CA 0.473 56.353 55.803 0.128 0.000 0.948 691 Q CB 0.880 29.693 28.738 0.125 0.000 1.058 691 Q HN 0.462 nan 8.270 nan 0.000 0.493 692 G N 0.369 109.284 108.800 0.192 0.000 2.136 692 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.242 692 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.242 692 G C -0.323 174.811 174.900 0.389 0.000 0.989 692 G CA -0.189 45.032 45.100 0.202 0.000 0.682 692 G HN 0.276 nan 8.290 nan 0.000 0.522 693 L N -0.157 121.334 121.223 0.448 0.000 2.329 693 L HA 0.678 5.017 4.340 -0.001 0.000 0.279 693 L C 0.768 177.940 176.870 0.503 0.000 1.014 693 L CA -1.373 53.772 54.840 0.508 0.000 0.814 693 L CB 1.612 43.868 42.059 0.329 0.000 1.257 693 L HN 0.134 nan 8.230 nan 0.000 0.424 694 L N 3.425 124.921 121.223 0.455 0.000 2.559 694 L HA -0.050 4.289 4.340 -0.001 0.000 0.282 694 L C 1.039 177.986 176.870 0.128 0.000 1.232 694 L CA 0.951 55.800 54.840 0.014 0.000 0.885 694 L CB 0.180 42.288 42.059 0.081 0.000 1.131 694 L HN 0.810 nan 8.230 nan 0.000 0.498 695 K N 1.278 121.648 120.400 -0.049 0.000 2.474 695 K HA 0.324 4.643 4.320 -0.001 0.000 0.204 695 K C -0.107 176.435 176.600 -0.097 0.000 1.220 695 K CA 0.308 56.590 56.287 -0.009 0.000 0.966 695 K CB 0.446 32.914 32.500 -0.054 0.000 1.049 695 K HN 0.597 nan 8.250 nan 0.000 0.554 696 S N 0.358 115.973 115.700 -0.143 0.000 2.567 696 S HA 0.580 5.049 4.470 -0.001 0.000 0.270 696 S C -1.158 173.385 174.600 -0.096 0.000 1.152 696 S CA -1.006 57.136 58.200 -0.097 0.000 0.835 696 S CB 1.290 64.473 63.200 -0.029 0.000 1.115 696 S HN 0.178 nan 8.310 nan 0.000 0.459 697 I N 1.491 122.025 120.570 -0.060 0.000 2.466 697 I HA 0.453 4.623 4.170 -0.001 0.000 0.289 697 I C -0.535 175.558 176.117 -0.040 0.000 1.026 697 I CA -0.391 60.878 61.300 -0.051 0.000 1.078 697 I CB 2.123 40.080 38.000 -0.072 0.000 1.249 697 I HN 0.738 nan 8.210 nan 0.000 0.429 698 Q N 6.142 125.915 119.800 -0.045 0.000 2.368 698 Q HA 0.408 4.748 4.340 -0.001 0.000 0.263 698 Q C -0.023 175.917 176.000 -0.099 0.000 1.009 698 Q CA -0.497 55.214 55.803 -0.153 0.000 0.818 698 Q CB 1.612 30.147 28.738 -0.338 0.000 1.239 698 Q HN 0.785 nan 8.270 nan 0.000 0.464 699 L N 2.135 123.304 121.223 -0.091 0.000 2.109 699 L HA -0.001 4.339 4.340 -0.001 0.000 0.207 699 L C 1.159 177.997 176.870 -0.052 0.000 1.086 699 L CA 1.214 56.019 54.840 -0.060 0.000 0.760 699 L CB -0.154 41.870 42.059 -0.057 0.000 0.910 699 L HN 0.680 nan 8.230 nan 0.000 0.437 700 T N -6.500 108.013 114.554 -0.068 0.000 2.838 700 T HA 0.202 4.552 4.350 -0.001 0.000 0.292 700 T C 0.478 175.141 174.700 -0.061 0.000 1.113 700 T CA -0.790 61.280 62.100 -0.050 0.000 1.008 700 T CB 1.798 70.641 68.868 -0.042 0.000 1.259 700 T HN -0.046 nan 8.240 nan 0.000 0.520 701 Q N 0.351 120.129 119.800 -0.037 0.000 2.118 701 Q HA -0.261 4.078 4.340 -0.001 0.000 0.211 701 Q C 1.607 177.579 176.000 -0.047 0.000 0.998 701 Q CA 2.757 58.542 55.803 -0.030 0.000 0.872 701 Q CB -0.347 28.384 28.738 -0.011 0.000 0.925 701 Q HN 0.951 nan 8.270 nan 0.000 0.414 702 D N -0.639 119.732 120.400 -0.049 0.000 2.327 702 D HA -0.044 4.596 4.640 -0.001 0.000 0.205 702 D C 0.719 176.976 176.300 -0.072 0.000 0.989 702 D CA 0.435 54.407 54.000 -0.046 0.000 0.873 702 D CB 0.097 40.879 40.800 -0.031 0.000 0.955 702 D HN 0.100 nan 8.370 nan 0.000 0.515 703 S N -0.265 115.377 115.700 -0.097 0.000 2.624 703 S HA 0.412 4.881 4.470 -0.001 0.000 0.263 703 S C -2.395 172.104 174.600 -0.168 0.000 1.287 703 S CA -1.235 56.901 58.200 -0.107 0.000 0.990 703 S CB 0.753 63.897 63.200 -0.093 0.000 0.950 703 S HN -0.076 nan 8.310 nan 0.000 0.561 704 P HA 0.196 nan 4.420 nan 0.000 0.272 704 P C -0.651 176.520 177.300 -0.215 0.000 1.223 704 P CA -0.208 62.813 63.100 -0.132 0.000 0.784 704 P CB 0.138 31.808 31.700 -0.050 0.000 0.923 705 H N 0.642 119.696 119.070 -0.027 0.000 3.067 705 H HA 0.140 4.695 4.556 -0.001 0.000 0.265 705 H C -0.152 175.143 175.328 -0.056 0.000 1.234 705 H CA -0.274 55.749 56.048 -0.041 0.000 1.452 705 H CB -0.223 29.516 29.762 -0.038 0.000 1.527 705 H HN 0.103 nan 8.280 nan 0.000 0.486 706 V N 6.960 126.872 119.914 -0.004 0.000 2.470 706 V HA 0.051 4.171 4.120 -0.001 0.000 0.276 706 V C -1.862 174.182 176.094 -0.082 0.000 1.040 706 V CA -1.499 60.775 62.300 -0.044 0.000 1.008 706 V CB 0.710 32.495 31.823 -0.063 0.000 0.990 706 V HN 0.537 nan 8.190 nan 0.000 0.477 707 P HA 0.160 nan 4.420 nan 0.000 0.266 707 P C -0.794 176.365 177.300 -0.235 0.000 1.215 707 P CA 0.251 63.216 63.100 -0.225 0.000 0.763 707 P CB 0.461 31.901 31.700 -0.434 0.000 0.806 708 V N 4.228 124.033 119.914 -0.181 0.000 2.555 708 V HA 0.226 4.345 4.120 -0.001 0.000 0.283 708 V C -0.688 175.311 176.094 -0.159 0.000 1.020 708 V CA -0.451 61.727 62.300 -0.205 0.000 0.883 708 V CB 1.133 32.824 31.823 -0.221 0.000 1.030 708 V HN 0.550 nan 8.190 nan 0.000 0.448 709 H N 4.237 123.146 119.070 -0.269 0.000 2.469 709 H HA 0.718 5.273 4.556 -0.001 0.000 0.342 709 H C -1.353 173.834 175.328 -0.235 0.000 1.115 709 H CA -1.008 54.927 56.048 -0.188 0.000 1.204 709 H CB 1.321 31.016 29.762 -0.110 0.000 1.492 709 H HN 0.379 nan 8.280 nan 0.000 0.499 710 F N 3.383 123.029 119.950 -0.508 0.000 2.385 710 F HA 0.418 4.945 4.527 -0.001 0.000 0.336 710 F C 0.275 175.519 175.800 -0.927 0.000 1.100 710 F CA -0.274 57.370 58.000 -0.593 0.000 1.116 710 F CB 1.100 39.887 39.000 -0.355 0.000 1.166 710 F HN 0.450 nan 8.300 nan 0.000 0.511 711 K N 3.033 123.164 120.400 -0.448 0.000 2.523 711 K HA 0.510 4.830 4.320 -0.001 0.000 0.257 711 K C -1.992 174.353 176.600 -0.425 0.000 0.932 711 K CA -0.542 55.537 56.287 -0.346 0.000 0.812 711 K CB 1.360 33.738 32.500 -0.203 0.000 1.326 711 K HN 0.405 nan 8.250 nan 0.000 0.433 712 F N 3.926 123.797 119.950 -0.132 0.000 2.436 712 F HA 0.503 5.030 4.527 -0.001 0.000 0.340 712 F C -0.348 175.406 175.800 -0.075 0.000 1.113 712 F CA -0.578 57.358 58.000 -0.108 0.000 1.022 712 F CB 1.196 40.116 39.000 -0.134 0.000 1.128 712 F HN 0.245 nan 8.300 nan 0.000 0.466 713 L N 2.621 123.885 121.223 0.068 0.000 2.277 713 L HA 0.635 4.975 4.340 -0.001 0.000 0.254 713 L C -1.192 175.667 176.870 -0.019 0.000 1.044 713 L CA -1.022 53.807 54.840 -0.018 0.000 0.842 713 L CB 2.286 44.270 42.059 -0.124 0.000 1.422 713 L HN 0.477 nan 8.230 nan 0.000 0.422 714 K N -0.318 120.031 120.400 -0.086 0.000 2.427 714 K HA 0.655 4.974 4.320 -0.001 0.000 0.252 714 K C -1.816 174.711 176.600 -0.123 0.000 0.931 714 K CA -0.806 55.464 56.287 -0.028 0.000 0.793 714 K CB 1.744 34.258 32.500 0.024 0.000 1.211 714 K HN 0.238 nan 8.250 nan 0.000 0.426 715 Y N 0.599 120.961 120.300 0.103 0.000 2.387 715 Y HA 0.520 5.070 4.550 -0.001 0.000 0.330 715 Y C 1.018 176.976 175.900 0.096 0.000 1.133 715 Y CA -0.012 58.161 58.100 0.122 0.000 1.152 715 Y CB 2.102 40.706 38.460 0.240 0.000 1.215 715 Y HN 0.911 nan 8.280 nan 0.000 0.466 716 G N 0.548 109.492 108.800 0.240 0.000 2.971 716 G HA2 0.645 4.604 3.960 -0.001 0.000 0.235 716 G HA3 0.645 4.604 3.960 -0.001 0.000 0.235 716 G C -1.415 173.560 174.900 0.125 0.000 1.351 716 G CA -0.733 44.452 45.100 0.141 0.000 1.039 716 G HN 0.440 nan 8.290 nan 0.000 0.563 717 V N -0.267 119.685 119.914 0.064 0.000 2.914 717 V HA 0.488 4.607 4.120 -0.001 0.000 0.314 717 V C -0.083 176.006 176.094 -0.008 0.000 1.084 717 V CA -0.866 61.453 62.300 0.032 0.000 0.963 717 V CB 2.017 33.858 31.823 0.031 0.000 1.025 717 V HN 0.674 nan 8.190 nan 0.000 0.432 718 R N 1.085 121.569 120.500 -0.027 0.000 2.490 718 R HA 0.251 4.591 4.340 -0.001 0.000 0.280 718 R C 1.064 177.295 176.300 -0.114 0.000 1.077 718 R CA 0.390 56.456 56.100 -0.058 0.000 1.065 718 R CB 0.714 30.993 30.300 -0.034 0.000 1.003 718 R HN 0.904 nan 8.270 nan 0.000 0.470 719 S N 0.864 116.418 115.700 -0.243 0.000 2.524 719 S HA 0.061 4.530 4.470 -0.001 0.000 0.216 719 S C 0.357 174.597 174.600 -0.600 0.000 0.987 719 S CA -0.059 57.898 58.200 -0.406 0.000 0.909 719 S CB 0.126 63.030 63.200 -0.494 0.000 0.781 719 S HN 0.541 nan 8.310 nan 0.000 0.521 720 H N 0.689 119.761 119.070 0.002 0.000 2.622 720 H HA 0.644 5.199 4.556 -0.001 0.000 0.363 720 H C 1.014 176.340 175.328 -0.004 0.000 1.151 720 H CA -0.094 55.953 56.048 -0.001 0.000 1.184 720 H CB 1.139 30.900 29.762 -0.001 0.000 1.643 720 H HN 0.399 nan 8.280 nan 0.000 0.531 721 G N 2.194 111.058 108.800 0.107 0.000 2.542 721 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.235 721 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.235 721 G C -0.843 174.069 174.900 0.020 0.000 1.286 721 G CA -0.429 44.702 45.100 0.053 0.000 0.904 721 G HN 0.603 nan 8.290 nan 0.000 0.577 722 D N 1.468 121.872 120.400 0.007 0.000 2.345 722 D HA 0.499 5.139 4.640 -0.001 0.000 0.247 722 D C 0.959 177.252 176.300 -0.012 0.000 1.108 722 D CA 0.217 54.212 54.000 -0.007 0.000 0.894 722 D CB 0.671 41.462 40.800 -0.016 0.000 1.203 722 D HN 0.508 nan 8.370 nan 0.000 0.430 723 R N 0.914 121.407 120.500 -0.012 0.000 2.474 723 R HA 0.374 4.713 4.340 -0.001 0.000 0.295 723 R C 0.112 176.410 176.300 -0.003 0.000 0.980 723 R CA -0.700 55.396 56.100 -0.007 0.000 0.934 723 R CB 1.268 31.568 30.300 -0.001 0.000 1.101 723 R HN 0.300 nan 8.270 nan 0.000 0.469 724 S N 0.457 116.166 115.700 0.014 0.000 2.563 724 S HA 0.302 4.772 4.470 -0.001 0.000 0.284 724 S C 0.441 175.061 174.600 0.034 0.000 1.331 724 S CA 0.042 58.265 58.200 0.038 0.000 1.047 724 S CB 1.163 64.418 63.200 0.093 0.000 0.859 724 S HN 0.786 nan 8.310 nan 0.000 0.514 725 G N -0.100 108.719 108.800 0.032 0.000 2.815 725 G HA2 0.587 4.547 3.960 -0.001 0.000 0.305 725 G HA3 0.587 4.547 3.960 -0.001 0.000 0.305 725 G C 0.539 175.454 174.900 0.025 0.000 1.277 725 G CA -0.126 44.997 45.100 0.038 0.000 0.795 725 G HN 0.707 nan 8.290 nan 0.000 0.528 726 A N -1.256 121.564 122.820 0.000 0.000 1.978 726 A HA 0.066 4.386 4.320 -0.001 0.000 0.220 726 A C 1.920 179.408 177.584 -0.160 0.000 1.170 726 A CA 2.031 54.010 52.037 -0.096 0.000 0.636 726 A CB -0.644 18.229 19.000 -0.212 0.000 0.810 726 A HN 0.592 nan 8.150 nan 0.000 0.448 727 Y N -0.737 119.497 120.300 -0.111 0.000 2.266 727 Y HA 0.323 4.873 4.550 -0.001 0.000 0.294 727 Y C 0.927 176.711 175.900 -0.193 0.000 1.127 727 Y CA 0.119 58.076 58.100 -0.239 0.000 1.140 727 Y CB -0.192 37.758 38.460 -0.850 0.000 1.071 727 Y HN 0.025 nan 8.280 nan 0.000 0.525 728 L N 0.546 121.721 121.223 -0.080 0.000 2.312 728 L HA 0.205 4.545 4.340 -0.001 0.000 0.281 728 L C -1.099 175.821 176.870 0.083 0.000 1.070 728 L CA -0.586 54.211 54.840 -0.072 0.000 0.805 728 L CB 0.937 42.906 42.059 -0.149 0.000 1.174 728 L HN 0.033 nan 8.230 nan 0.000 0.434 729 F N 4.862 124.754 119.950 -0.097 0.000 2.361 729 F HA 0.477 5.004 4.527 -0.001 0.000 0.364 729 F C -0.706 175.017 175.800 -0.128 0.000 1.117 729 F CA -1.155 56.750 58.000 -0.159 0.000 1.071 729 F CB 0.655 39.493 39.000 -0.271 0.000 1.188 729 F HN 0.211 nan 8.300 nan 0.000 0.464 730 L N 9.162 130.298 121.223 -0.146 0.000 2.556 730 L HA 0.330 4.669 4.340 -0.001 0.000 0.243 730 L C -2.349 174.358 176.870 -0.271 0.000 1.331 730 L CA -1.730 52.970 54.840 -0.234 0.000 0.927 730 L CB 1.017 43.027 42.059 -0.082 0.000 1.219 730 L HN 0.394 nan 8.230 nan 0.000 0.490 731 P HA 0.039 nan 4.420 nan 0.000 0.272 731 P C -0.493 176.736 177.300 -0.118 0.000 1.230 731 P CA -0.298 62.627 63.100 -0.291 0.000 0.788 731 P CB 0.574 31.982 31.700 -0.487 0.000 0.949 732 N N 0.899 119.600 118.700 0.002 0.000 3.250 732 N HA 0.261 5.001 4.740 -0.001 0.000 0.307 732 N C 0.661 176.191 175.510 0.033 0.000 1.355 732 N CA -0.142 52.913 53.050 0.008 0.000 1.192 732 N CB -0.855 37.639 38.487 0.013 0.000 1.478 732 N HN 0.740 nan 8.380 nan 0.000 0.543 733 G N 0.867 109.682 108.800 0.025 0.000 2.655 733 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.680 733 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.680 733 G C -3.070 171.908 174.900 0.130 0.000 1.302 733 G CA -1.102 44.027 45.100 0.049 0.000 0.872 733 G HN 0.372 nan 8.290 nan 0.000 0.540 734 P HA 0.453 nan 4.420 nan 0.000 0.269 734 P C 0.508 177.780 177.300 -0.046 0.000 1.217 734 P CA 0.661 63.830 63.100 0.115 0.000 0.783 734 P CB 0.379 32.111 31.700 0.052 0.000 0.898 735 A N 2.071 124.679 122.820 -0.353 0.000 2.425 735 A HA 0.372 4.692 4.320 -0.001 0.000 0.242 735 A C 0.217 177.651 177.584 -0.250 0.000 1.077 735 A CA 0.269 51.935 52.037 -0.618 0.000 0.781 735 A CB -0.258 18.095 19.000 -1.077 0.000 1.020 735 A HN 0.475 nan 8.150 nan 0.000 0.494 736 S N 2.464 118.055 115.700 -0.181 0.000 2.509 736 S HA 0.583 5.052 4.470 -0.001 0.000 0.297 736 S C -2.660 171.901 174.600 -0.064 0.000 1.118 736 S CA -1.010 57.140 58.200 -0.083 0.000 1.074 736 S CB 1.243 64.417 63.200 -0.044 0.000 1.038 736 S HN 0.575 nan 8.310 nan 0.000 0.498 737 P HA 0.103 nan 4.420 nan 0.000 0.268 737 P C -0.688 176.618 177.300 0.011 0.000 1.205 737 P CA -0.350 62.748 63.100 -0.003 0.000 0.771 737 P CB 0.275 31.985 31.700 0.017 0.000 0.858 738 V N 3.657 123.590 119.914 0.032 0.000 2.585 738 V HA -0.043 4.077 4.120 -0.001 0.000 0.296 738 V C 1.007 177.116 176.094 0.025 0.000 1.035 738 V CA 0.301 62.618 62.300 0.028 0.000 1.084 738 V CB -0.465 31.381 31.823 0.038 0.000 0.953 738 V HN 0.517 nan 8.190 nan 0.000 0.483 739 E N 4.509 124.718 120.200 0.015 0.000 2.220 739 E HA 0.113 4.463 4.350 -0.001 0.000 0.272 739 E C 0.497 177.104 176.600 0.012 0.000 1.099 739 E CA -0.128 56.282 56.400 0.017 0.000 0.907 739 E CB 0.634 30.343 29.700 0.014 0.000 1.022 739 E HN 0.563 nan 8.360 nan 0.000 0.428 740 L N 2.831 124.067 121.223 0.021 0.000 2.529 740 L HA 0.118 4.457 4.340 -0.001 0.000 0.223 740 L C 1.368 178.249 176.870 0.018 0.000 1.113 740 L CA 0.330 55.178 54.840 0.013 0.000 0.861 740 L CB -0.607 41.471 42.059 0.032 0.000 1.012 740 L HN 0.852 nan 8.230 nan 0.000 0.461 741 G N 0.959 109.775 108.800 0.025 0.000 2.566 741 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.280 741 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.280 741 G C 0.005 174.927 174.900 0.037 0.000 1.225 741 G CA -0.111 45.007 45.100 0.030 0.000 0.966 741 G HN 0.404 nan 8.290 nan 0.000 0.560 742 Q N 1.683 121.508 119.800 0.042 0.000 2.644 742 Q HA 0.385 4.724 4.340 -0.001 0.000 0.245 742 Q C -2.203 173.833 176.000 0.060 0.000 1.064 742 Q CA -1.454 54.378 55.803 0.049 0.000 0.860 742 Q CB 1.757 30.522 28.738 0.045 0.000 1.145 742 Q HN 0.547 nan 8.270 nan 0.000 0.515 743 P HA 0.118 nan 4.420 nan 0.000 0.276 743 P C -0.298 177.068 177.300 0.109 0.000 1.244 743 P CA -0.381 62.765 63.100 0.077 0.000 0.801 743 P CB 1.161 32.887 31.700 0.043 0.000 1.006 744 V N 2.087 122.105 119.914 0.174 0.000 2.530 744 V HA 0.138 4.257 4.120 -0.001 0.000 0.282 744 V C 0.498 176.751 176.094 0.265 0.000 1.048 744 V CA -0.223 62.205 62.300 0.212 0.000 0.997 744 V CB 1.211 33.200 31.823 0.277 0.000 0.987 744 V HN 0.255 nan 8.190 nan 0.000 0.477 745 V N 6.295 126.305 119.914 0.160 0.000 2.495 745 V HA 0.482 4.601 4.120 -0.001 0.000 0.298 745 V C -0.436 175.684 176.094 0.042 0.000 1.031 745 V CA -0.639 61.734 62.300 0.121 0.000 0.871 745 V CB 1.709 33.562 31.823 0.050 0.000 0.988 745 V HN 0.675 nan 8.190 nan 0.000 0.432 746 L N 6.596 127.842 121.223 0.037 0.000 2.305 746 L HA 0.733 5.073 4.340 -0.001 0.000 0.284 746 L C -0.658 176.103 176.870 -0.182 0.000 1.013 746 L CA -0.003 54.732 54.840 -0.175 0.000 0.819 746 L CB 1.760 43.617 42.059 -0.336 0.000 1.227 746 L HN 0.437 nan 8.230 nan 0.000 0.417 747 V N 4.130 123.926 119.914 -0.197 0.000 2.384 747 V HA 0.549 4.669 4.120 -0.001 0.000 0.287 747 V C 0.026 176.052 176.094 -0.113 0.000 1.020 747 V CA -0.380 61.825 62.300 -0.157 0.000 0.850 747 V CB 1.519 33.266 31.823 -0.127 0.000 0.987 747 V HN 0.847 nan 8.190 nan 0.000 0.436 748 T N 5.372 119.888 114.554 -0.063 0.000 2.779 748 T HA 0.457 4.806 4.350 -0.001 0.000 0.280 748 T C -0.407 174.324 174.700 0.052 0.000 0.987 748 T CA -0.582 61.538 62.100 0.033 0.000 0.966 748 T CB 1.184 70.112 68.868 0.100 0.000 0.933 748 T HN 0.673 nan 8.240 nan 0.000 0.442 749 K N 2.359 122.807 120.400 0.080 0.000 2.450 749 K HA 0.683 5.002 4.320 -0.001 0.000 0.257 749 K C -0.427 176.235 176.600 0.103 0.000 0.953 749 K CA -0.588 55.745 56.287 0.077 0.000 0.844 749 K CB 1.046 33.585 32.500 0.064 0.000 1.103 749 K HN 0.789 nan 8.250 nan 0.000 0.429 750 G N 2.209 111.067 108.800 0.097 0.000 2.680 750 G HA2 0.174 4.133 3.960 -0.001 0.000 0.290 750 G HA3 0.174 4.133 3.960 -0.001 0.000 0.290 750 G C -0.246 174.701 174.900 0.079 0.000 1.355 750 G CA -0.658 44.501 45.100 0.098 0.000 0.903 750 G HN 0.659 nan 8.290 nan 0.000 0.474 751 K N -0.350 120.092 120.400 0.070 0.000 2.155 751 K HA 0.140 4.460 4.320 -0.001 0.000 0.203 751 K C 1.634 178.271 176.600 0.062 0.000 1.052 751 K CA 1.058 57.382 56.287 0.061 0.000 0.948 751 K CB -0.156 32.376 32.500 0.053 0.000 0.728 751 K HN 0.416 nan 8.250 nan 0.000 0.448 752 L N -0.591 120.671 121.223 0.065 0.000 2.357 752 L HA 0.222 4.561 4.340 -0.001 0.000 0.211 752 L C 0.524 177.431 176.870 0.062 0.000 1.075 752 L CA 0.072 54.950 54.840 0.063 0.000 0.830 752 L CB 0.355 42.455 42.059 0.068 0.000 0.996 752 L HN 0.181 nan 8.230 nan 0.000 0.467 753 E N -0.254 119.988 120.200 0.070 0.000 2.311 753 E HA 0.393 4.743 4.350 -0.001 0.000 0.281 753 E C -1.460 175.188 176.600 0.079 0.000 0.905 753 E CA -0.201 56.242 56.400 0.071 0.000 0.778 753 E CB 2.103 31.845 29.700 0.069 0.000 1.240 753 E HN -0.120 nan 8.360 nan 0.000 0.410 754 S N 1.333 117.077 115.700 0.073 0.000 2.634 754 S HA 0.785 5.254 4.470 -0.001 0.000 0.296 754 S C -1.237 173.390 174.600 0.045 0.000 1.104 754 S CA -0.687 57.552 58.200 0.064 0.000 0.920 754 S CB 1.818 65.057 63.200 0.065 0.000 1.111 754 S HN 0.584 nan 8.310 nan 0.000 0.493 755 S N 0.172 115.875 115.700 0.005 0.000 2.565 755 S HA 0.709 5.178 4.470 -0.001 0.000 0.269 755 S C -1.918 172.590 174.600 -0.154 0.000 1.153 755 S CA -0.639 57.537 58.200 -0.041 0.000 0.835 755 S CB 1.069 64.271 63.200 0.003 0.000 1.122 755 S HN 0.461 nan 8.310 nan 0.000 0.462 756 V N 2.446 122.202 119.914 -0.263 0.000 2.444 756 V HA 0.726 4.846 4.120 -0.001 0.000 0.294 756 V C -0.408 175.549 176.094 -0.227 0.000 1.022 756 V CA -0.437 61.635 62.300 -0.380 0.000 0.850 756 V CB 1.520 32.782 31.823 -0.934 0.000 0.992 756 V HN 0.949 nan 8.190 nan 0.000 0.426 757 S N 3.228 118.856 115.700 -0.121 0.000 2.513 757 S HA 0.786 5.256 4.470 -0.001 0.000 0.299 757 S C -0.851 173.694 174.600 -0.092 0.000 1.087 757 S CA -0.617 57.524 58.200 -0.099 0.000 1.012 757 S CB 2.143 65.395 63.200 0.087 0.000 1.044 757 S HN 0.657 nan 8.310 nan 0.000 0.485 758 V N 2.096 121.831 119.914 -0.299 0.000 2.760 758 V HA 0.793 4.913 4.120 -0.001 0.000 0.309 758 V C -0.000 175.738 176.094 -0.593 0.000 1.077 758 V CA -0.444 61.699 62.300 -0.262 0.000 0.910 758 V CB 1.767 33.566 31.823 -0.039 0.000 1.008 758 V HN 0.996 nan 8.190 nan 0.000 0.424 759 G N 7.116 115.584 108.800 -0.553 0.000 2.639 759 G HA2 0.502 4.461 3.960 -0.001 0.000 0.312 759 G HA3 0.502 4.461 3.960 -0.001 0.000 0.312 759 G C -0.441 174.333 174.900 -0.210 0.000 0.911 759 G CA -0.282 44.546 45.100 -0.453 0.000 1.410 759 G HN 0.691 nan 8.290 nan 0.000 0.469 760 L N 2.475 123.526 121.223 -0.287 0.000 2.431 760 L HA 0.392 4.732 4.340 -0.001 0.000 0.260 760 L C -2.022 174.709 176.870 -0.230 0.000 1.098 760 L CA -2.361 52.338 54.840 -0.234 0.000 0.800 760 L CB 1.710 43.558 42.059 -0.351 0.000 1.210 760 L HN 0.181 nan 8.230 nan 0.000 0.465 761 P HA 0.069 nan 4.420 nan 0.000 0.266 761 P C 0.022 177.202 177.300 -0.200 0.000 1.215 761 P CA 0.417 63.416 63.100 -0.168 0.000 0.763 761 P CB 0.901 32.537 31.700 -0.107 0.000 0.806 762 S N -0.189 115.393 115.700 -0.197 0.000 2.929 762 S HA -0.114 4.356 4.470 -0.001 0.000 0.271 762 S C 0.201 174.672 174.600 -0.214 0.000 1.295 762 S CA 1.226 59.325 58.200 -0.169 0.000 1.277 762 S CB -1.574 61.560 63.200 -0.111 0.000 1.557 762 S HN 0.401 nan 8.310 nan 0.000 0.666 763 V N 1.264 120.990 119.914 -0.313 0.000 2.655 763 V HA 0.433 4.552 4.120 -0.001 0.000 0.301 763 V C -0.208 175.640 176.094 -0.410 0.000 1.082 763 V CA -0.809 61.267 62.300 -0.373 0.000 0.899 763 V CB 2.115 33.552 31.823 -0.644 0.000 1.014 763 V HN 0.098 nan 8.190 nan 0.000 0.429 764 V N 4.148 123.832 119.914 -0.383 0.000 2.368 764 V HA 0.309 4.428 4.120 -0.001 0.000 0.266 764 V C -0.129 175.740 176.094 -0.376 0.000 1.045 764 V CA -0.317 61.653 62.300 -0.550 0.000 0.899 764 V CB 0.660 32.040 31.823 -0.738 0.000 1.006 764 V HN 0.932 nan 8.190 nan 0.000 0.470 765 H N 4.502 123.301 119.070 -0.452 0.000 2.488 765 H HA 0.588 5.144 4.556 -0.001 0.000 0.322 765 H C -0.406 174.799 175.328 -0.205 0.000 1.078 765 H CA -0.185 55.704 56.048 -0.265 0.000 1.260 765 H CB 1.166 30.800 29.762 -0.213 0.000 1.425 765 H HN 0.686 nan 8.280 nan 0.000 0.471 766 Q N 3.943 123.427 119.800 -0.527 0.000 2.323 766 Q HA 0.386 4.725 4.340 -0.001 0.000 0.271 766 Q C -1.329 174.460 176.000 -0.353 0.000 1.048 766 Q CA -0.924 54.662 55.803 -0.362 0.000 0.792 766 Q CB 1.664 30.299 28.738 -0.173 0.000 1.280 766 Q HN 0.757 nan 8.270 nan 0.000 0.441 767 T N 4.806 119.237 114.554 -0.205 0.000 2.772 767 T HA 0.535 4.885 4.350 -0.001 0.000 0.288 767 T C -0.373 174.352 174.700 0.042 0.000 0.994 767 T CA -0.315 61.785 62.100 -0.000 0.000 0.951 767 T CB 0.294 69.332 68.868 0.284 0.000 0.933 767 T HN 0.452 nan 8.240 nan 0.000 0.447 768 I N 3.510 124.119 120.570 0.065 0.000 2.474 768 I HA 0.508 4.678 4.170 -0.001 0.000 0.294 768 I C -0.339 175.832 176.117 0.090 0.000 1.005 768 I CA -0.811 60.526 61.300 0.063 0.000 1.113 768 I CB 1.859 39.886 38.000 0.045 0.000 1.289 768 I HN 0.390 nan 8.210 nan 0.000 0.436 769 M N 5.698 125.352 119.600 0.089 0.000 2.253 769 M HA 0.470 4.950 4.480 -0.001 0.000 0.314 769 M C 0.182 176.525 176.300 0.072 0.000 1.019 769 M CA -0.179 55.177 55.300 0.094 0.000 0.932 769 M CB 2.012 34.684 32.600 0.119 0.000 1.606 769 M HN 0.442 nan 8.290 nan 0.000 0.430 770 R N 1.345 121.881 120.500 0.061 0.000 2.590 770 R HA 0.373 4.713 4.340 -0.001 0.000 0.410 770 R C 0.729 177.057 176.300 0.047 0.000 1.010 770 R CA 0.254 56.384 56.100 0.050 0.000 1.155 770 R CB 1.129 31.451 30.300 0.037 0.000 1.455 770 R HN 1.120 nan 8.270 nan 0.000 0.567 771 G N -0.379 108.451 108.800 0.050 0.000 2.255 771 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.196 771 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.196 771 G C 0.307 175.229 174.900 0.036 0.000 0.998 771 G CA -0.365 44.761 45.100 0.043 0.000 0.656 771 G HN 0.514 nan 8.290 nan 0.000 0.490 772 G N 0.022 108.843 108.800 0.035 0.000 3.264 772 G HA2 0.785 4.745 3.960 -0.001 0.000 0.168 772 G HA3 0.785 4.745 3.960 -0.001 0.000 0.168 772 G C 0.482 175.401 174.900 0.032 0.000 1.145 772 G CA 0.469 45.584 45.100 0.026 0.000 0.855 772 G HN 1.530 nan 8.290 nan 0.000 0.629 773 A N 1.518 124.354 122.820 0.027 0.000 2.540 773 A HA 0.508 4.827 4.320 -0.001 0.000 0.239 773 A C -1.768 175.852 177.584 0.060 0.000 1.061 773 A CA -0.430 51.629 52.037 0.036 0.000 0.758 773 A CB -0.449 18.569 19.000 0.030 0.000 0.991 773 A HN 0.377 nan 8.150 nan 0.000 0.502 774 P HA 0.119 nan 4.420 nan 0.000 0.272 774 P C -0.430 176.939 177.300 0.116 0.000 1.230 774 P CA -0.172 62.993 63.100 0.109 0.000 0.788 774 P CB 0.609 32.398 31.700 0.148 0.000 0.949 775 E N 1.320 121.585 120.200 0.107 0.000 2.191 775 E HA 0.379 4.729 4.350 -0.001 0.000 0.278 775 E C -0.810 175.863 176.600 0.121 0.000 0.972 775 E CA -0.704 55.762 56.400 0.110 0.000 0.804 775 E CB 0.535 30.276 29.700 0.067 0.000 1.110 775 E HN 0.196 nan 8.360 nan 0.000 0.394 776 I N 4.147 124.822 120.570 0.175 0.000 2.404 776 I HA 0.413 4.582 4.170 -0.001 0.000 0.293 776 I C -0.025 176.209 176.117 0.195 0.000 0.992 776 I CA -0.628 60.753 61.300 0.135 0.000 1.149 776 I CB 1.282 39.367 38.000 0.143 0.000 1.315 776 I HN 0.583 nan 8.210 nan 0.000 0.446 777 R N 4.607 125.149 120.500 0.070 0.000 2.561 777 R HA 0.504 4.843 4.340 -0.001 0.000 0.297 777 R C -0.952 175.394 176.300 0.077 0.000 0.969 777 R CA -0.856 55.300 56.100 0.093 0.000 0.879 777 R CB 2.070 32.382 30.300 0.020 0.000 1.178 777 R HN 0.460 nan 8.270 nan 0.000 0.445 778 N N 2.566 121.375 118.700 0.181 0.000 2.407 778 N HA 0.199 4.939 4.740 -0.001 0.000 0.277 778 N C -1.299 174.220 175.510 0.016 0.000 0.995 778 N CA -0.707 52.423 53.050 0.132 0.000 0.903 778 N CB 1.889 40.563 38.487 0.312 0.000 1.218 778 N HN 0.313 nan 8.380 nan 0.000 0.487 779 L N 3.723 124.894 121.223 -0.087 0.000 2.268 779 L HA 0.382 4.722 4.340 -0.001 0.000 0.289 779 L C -0.996 175.796 176.870 -0.131 0.000 1.064 779 L CA -0.470 54.299 54.840 -0.118 0.000 0.824 779 L CB 0.475 42.451 42.059 -0.138 0.000 1.202 779 L HN 0.213 nan 8.230 nan 0.000 0.433 780 V N 4.712 124.554 119.914 -0.121 0.000 2.350 780 V HA 0.390 4.510 4.120 -0.001 0.000 0.276 780 V C -0.491 175.557 176.094 -0.076 0.000 1.028 780 V CA -0.508 61.738 62.300 -0.090 0.000 0.860 780 V CB 1.318 33.117 31.823 -0.040 0.000 0.990 780 V HN 0.699 nan 8.190 nan 0.000 0.453 781 D N 4.080 124.435 120.400 -0.075 0.000 2.375 781 D HA 0.260 4.899 4.640 -0.001 0.000 0.259 781 D C 0.438 176.714 176.300 -0.041 0.000 1.235 781 D CA -0.399 53.570 54.000 -0.052 0.000 0.924 781 D CB 1.409 42.174 40.800 -0.059 0.000 1.143 781 D HN 0.468 nan 8.370 nan 0.000 0.529 782 I N 2.395 122.959 120.570 -0.011 0.000 3.291 782 I HA 0.116 4.286 4.170 -0.001 0.000 0.279 782 I C 1.307 177.427 176.117 0.004 0.000 1.294 782 I CA 1.035 62.336 61.300 0.002 0.000 1.428 782 I CB -0.260 37.760 38.000 0.033 0.000 1.070 782 I HN 0.624 nan 8.210 nan 0.000 0.478 783 G N 0.962 109.764 108.800 0.004 0.000 2.556 783 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.283 783 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.283 783 G C 0.501 175.415 174.900 0.023 0.000 1.177 783 G CA 0.376 45.484 45.100 0.013 0.000 0.978 783 G HN 0.689 nan 8.290 nan 0.000 0.554 784 S N -0.150 115.566 115.700 0.027 0.000 2.561 784 S HA 0.560 5.029 4.470 -0.001 0.000 0.245 784 S C 0.709 175.326 174.600 0.028 0.000 1.001 784 S CA -0.045 58.172 58.200 0.029 0.000 1.002 784 S CB 0.104 63.323 63.200 0.031 0.000 0.805 784 S HN 0.689 nan 8.310 nan 0.000 0.458 785 L N 2.922 124.160 121.223 0.026 0.000 2.448 785 L HA 0.279 4.619 4.340 -0.001 0.000 0.278 785 L C -0.308 176.582 176.870 0.034 0.000 1.201 785 L CA -0.306 54.550 54.840 0.027 0.000 1.036 785 L CB -0.537 41.537 42.059 0.024 0.000 1.325 785 L HN 0.170 nan 8.230 nan 0.000 0.441 786 D N 2.688 123.107 120.400 0.032 0.000 2.399 786 D HA 0.002 4.641 4.640 -0.001 0.000 0.241 786 D C 0.677 177.001 176.300 0.039 0.000 1.133 786 D CA 0.311 54.332 54.000 0.034 0.000 0.890 786 D CB 0.366 41.183 40.800 0.028 0.000 1.201 786 D HN 0.302 nan 8.370 nan 0.000 0.432 787 N N 0.562 119.289 118.700 0.045 0.000 2.725 787 N HA -0.176 4.564 4.740 -0.001 0.000 0.251 787 N C -1.008 174.544 175.510 0.070 0.000 1.031 787 N CA 0.849 53.930 53.050 0.052 0.000 0.720 787 N CB -1.097 37.412 38.487 0.038 0.000 0.930 787 N HN 0.282 nan 8.380 nan 0.000 0.543 788 T N 0.421 115.022 114.554 0.077 0.000 2.886 788 T HA 0.417 4.766 4.350 -0.001 0.000 0.292 788 T C -0.264 174.503 174.700 0.112 0.000 1.012 788 T CA -0.727 61.431 62.100 0.096 0.000 0.982 788 T CB 2.289 71.199 68.868 0.070 0.000 1.018 788 T HN 0.023 nan 8.240 nan 0.000 0.451 789 E N 2.350 122.647 120.200 0.161 0.000 2.199 789 E HA 0.421 4.770 4.350 -0.001 0.000 0.265 789 E C -0.747 175.970 176.600 0.196 0.000 0.882 789 E CA -0.918 55.576 56.400 0.156 0.000 0.759 789 E CB 1.894 31.667 29.700 0.123 0.000 1.148 789 E HN 0.306 nan 8.360 nan 0.000 0.412 790 I N 3.008 123.677 120.570 0.164 0.000 2.331 790 I HA 0.241 4.411 4.170 -0.001 0.000 0.292 790 I C 0.018 176.268 176.117 0.221 0.000 0.998 790 I CA -0.616 60.791 61.300 0.180 0.000 1.267 790 I CB 1.276 39.369 38.000 0.156 0.000 1.386 790 I HN 0.288 nan 8.210 nan 0.000 0.476 791 V N 8.297 128.341 119.914 0.215 0.000 2.628 791 V HA 0.521 4.641 4.120 -0.001 0.000 0.306 791 V C -0.343 175.780 176.094 0.048 0.000 1.045 791 V CA -0.806 61.609 62.300 0.190 0.000 0.905 791 V CB 2.245 34.240 31.823 0.287 0.000 0.997 791 V HN 0.769 nan 8.190 nan 0.000 0.436 792 M N 7.221 126.771 119.600 -0.082 0.000 2.129 792 M HA 0.563 5.042 4.480 -0.001 0.000 0.348 792 M C -0.550 175.597 176.300 -0.255 0.000 1.116 792 M CA -0.418 54.603 55.300 -0.466 0.000 1.022 792 M CB 0.581 32.868 32.600 -0.522 0.000 1.599 792 M HN 0.760 nan 8.290 nan 0.000 0.449 793 R N 4.628 124.966 120.500 -0.270 0.000 2.711 793 R HA 0.700 5.040 4.340 -0.001 0.000 0.284 793 R C -1.935 174.263 176.300 -0.170 0.000 0.968 793 R CA -0.639 55.369 56.100 -0.155 0.000 0.924 793 R CB 1.508 31.737 30.300 -0.118 0.000 1.162 793 R HN 0.807 nan 8.270 nan 0.000 0.465 794 L N 3.193 124.298 121.223 -0.197 0.000 2.296 794 L HA 0.418 4.758 4.340 -0.001 0.000 0.286 794 L C -0.484 176.271 176.870 -0.191 0.000 1.023 794 L CA -0.404 54.246 54.840 -0.316 0.000 0.812 794 L CB 1.911 43.737 42.059 -0.389 0.000 1.223 794 L HN 0.608 nan 8.230 nan 0.000 0.421 795 E N 2.120 122.225 120.200 -0.158 0.000 2.158 795 E HA 0.498 4.848 4.350 -0.001 0.000 0.271 795 E C -0.592 175.948 176.600 -0.100 0.000 0.911 795 E CA -0.479 55.882 56.400 -0.065 0.000 0.767 795 E CB 2.117 31.831 29.700 0.022 0.000 1.120 795 E HN 0.620 nan 8.360 nan 0.000 0.405 796 T N -0.830 113.681 114.554 -0.072 0.000 2.831 796 T HA 0.341 4.690 4.350 -0.001 0.000 0.287 796 T C -0.089 174.628 174.700 0.028 0.000 1.070 796 T CA -0.828 61.194 62.100 -0.131 0.000 1.010 796 T CB 1.147 69.955 68.868 -0.099 0.000 1.264 796 T HN 0.419 nan 8.240 nan 0.000 0.532 797 H N 0.099 119.157 119.070 -0.020 0.000 2.472 797 H HA 0.471 5.027 4.556 -0.001 0.000 0.287 797 H C 0.002 175.327 175.328 -0.005 0.000 1.112 797 H CA -1.034 55.008 56.048 -0.010 0.000 1.021 797 H CB -0.768 28.988 29.762 -0.010 0.000 1.635 797 H HN 0.471 nan 8.280 nan 0.000 0.559 798 I N 1.298 121.919 120.570 0.085 0.000 2.618 798 I HA -0.103 4.067 4.170 -0.001 0.000 0.284 798 I C 0.832 176.990 176.117 0.068 0.000 1.146 798 I CA 0.226 61.563 61.300 0.061 0.000 1.425 798 I CB 0.589 38.615 38.000 0.044 0.000 1.383 798 I HN 0.033 nan 8.210 nan 0.000 0.562 799 D N 4.587 125.023 120.400 0.061 0.000 2.713 799 D HA 0.028 4.668 4.640 -0.001 0.000 0.229 799 D C 1.239 177.577 176.300 0.064 0.000 1.136 799 D CA -0.025 54.008 54.000 0.054 0.000 1.010 799 D CB 0.319 41.144 40.800 0.043 0.000 1.084 799 D HN 0.550 nan 8.370 nan 0.000 0.495 800 S N 0.091 115.836 115.700 0.075 0.000 2.496 800 S HA 0.237 4.706 4.470 -0.001 0.000 0.224 800 S C 1.599 176.250 174.600 0.085 0.000 0.996 800 S CA 0.276 58.534 58.200 0.097 0.000 0.927 800 S CB -0.142 63.128 63.200 0.117 0.000 0.774 800 S HN 0.520 nan 8.310 nan 0.000 0.524 801 G N 3.207 112.047 108.800 0.065 0.000 2.574 801 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.301 801 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.301 801 G C 0.160 175.102 174.900 0.069 0.000 1.166 801 G CA 0.576 45.710 45.100 0.057 0.000 0.971 801 G HN 0.755 nan 8.290 nan 0.000 0.542 802 D N 0.178 120.623 120.400 0.076 0.000 2.440 802 D HA 0.349 4.989 4.640 -0.001 0.000 0.216 802 D C 0.706 177.091 176.300 0.141 0.000 1.150 802 D CA -0.201 53.862 54.000 0.104 0.000 0.832 802 D CB 0.294 41.141 40.800 0.078 0.000 0.992 802 D HN 0.446 nan 8.370 nan 0.000 0.502 803 I N 1.478 122.115 120.570 0.112 0.000 2.437 803 I HA 0.493 4.663 4.170 -0.001 0.000 0.298 803 I C -0.229 175.978 176.117 0.150 0.000 0.984 803 I CA -1.075 60.235 61.300 0.018 0.000 1.214 803 I CB 0.677 38.655 38.000 -0.038 0.000 1.365 803 I HN -0.031 nan 8.210 nan 0.000 0.469 804 F N 4.454 124.229 119.950 -0.292 0.000 2.745 804 F HA 0.690 5.217 4.527 -0.001 0.000 0.316 804 F C -2.044 173.416 175.800 -0.567 0.000 1.155 804 F CA -1.418 56.433 58.000 -0.248 0.000 0.937 804 F CB 1.204 40.127 39.000 -0.129 0.000 1.361 804 F HN 0.184 nan 8.300 nan 0.000 0.472 805 Y N 0.044 120.117 120.300 -0.377 0.000 2.425 805 Y HA 0.675 5.225 4.550 -0.001 0.000 0.344 805 Y C 0.033 175.764 175.900 -0.281 0.000 0.969 805 Y CA -0.654 57.086 58.100 -0.600 0.000 1.052 805 Y CB 2.434 40.110 38.460 -1.307 0.000 1.215 805 Y HN 0.902 nan 8.280 nan 0.000 0.451 806 T N -1.395 113.089 114.554 -0.116 0.000 2.901 806 T HA 0.484 4.834 4.350 -0.001 0.000 0.293 806 T C -1.054 173.475 174.700 -0.285 0.000 1.084 806 T CA -1.068 60.989 62.100 -0.072 0.000 1.008 806 T CB 2.041 70.840 68.868 -0.115 0.000 1.170 806 T HN 0.582 nan 8.240 nan 0.000 0.509 807 D N 0.935 121.010 120.400 -0.541 0.000 2.340 807 D HA 0.373 5.013 4.640 -0.001 0.000 0.251 807 D C -0.620 175.411 176.300 -0.448 0.000 1.080 807 D CA -0.807 52.674 54.000 -0.866 0.000 0.971 807 D CB 1.246 41.265 40.800 -1.302 0.000 1.137 807 D HN 0.558 nan 8.370 nan 0.000 0.475 808 L N 0.865 121.865 121.223 -0.372 0.000 2.316 808 L HA 0.222 4.562 4.340 -0.001 0.000 0.280 808 L C -0.141 176.599 176.870 -0.216 0.000 1.006 808 L CA -0.791 53.921 54.840 -0.214 0.000 0.836 808 L CB 0.503 42.504 42.059 -0.097 0.000 1.221 808 L HN 0.457 nan 8.230 nan 0.000 0.418 809 N N 2.152 120.731 118.700 -0.201 0.000 2.714 809 N HA -0.229 4.511 4.740 -0.001 0.000 0.250 809 N C 0.980 176.264 175.510 -0.376 0.000 1.117 809 N CA 0.906 53.834 53.050 -0.204 0.000 0.719 809 N CB -1.042 37.405 38.487 -0.067 0.000 1.081 809 N HN 1.084 nan 8.380 nan 0.000 0.557 810 G N -1.664 106.918 108.800 -0.363 0.000 2.155 810 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.257 810 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.257 810 G C 0.630 175.495 174.900 -0.059 0.000 0.983 810 G CA 0.689 45.603 45.100 -0.310 0.000 0.676 810 G HN 0.485 nan 8.290 nan 0.000 0.528 811 L N -0.349 120.777 121.223 -0.163 0.000 2.467 811 L HA 0.498 4.838 4.340 -0.001 0.000 0.213 811 L C 0.995 177.738 176.870 -0.212 0.000 1.053 811 L CA 1.946 56.602 54.840 -0.307 0.000 0.847 811 L CB 0.147 41.870 42.059 -0.561 0.000 1.075 811 L HN 0.703 nan 8.230 nan 0.000 0.479 812 Q N -1.832 117.847 119.800 -0.202 0.000 2.482 812 Q HA 0.358 4.698 4.340 -0.001 0.000 0.286 812 Q C -1.687 174.191 176.000 -0.203 0.000 1.007 812 Q CA -0.745 55.008 55.803 -0.082 0.000 0.801 812 Q CB 1.139 29.888 28.738 0.018 0.000 1.455 812 Q HN -0.042 nan 8.270 nan 0.000 0.398 813 F N 1.251 121.159 119.950 -0.071 0.000 2.436 813 F HA 0.594 5.120 4.527 -0.001 0.000 0.340 813 F C -0.185 175.577 175.800 -0.063 0.000 1.113 813 F CA -0.833 57.136 58.000 -0.051 0.000 1.022 813 F CB 1.689 40.704 39.000 0.025 0.000 1.128 813 F HN 0.528 nan 8.300 nan 0.000 0.466 814 I N 3.942 124.516 120.570 0.008 0.000 2.441 814 I HA 0.327 4.497 4.170 -0.001 0.000 0.295 814 I C -0.458 175.520 176.117 -0.232 0.000 0.994 814 I CA -0.856 60.395 61.300 -0.081 0.000 1.144 814 I CB 1.261 39.167 38.000 -0.155 0.000 1.314 814 I HN 0.514 nan 8.210 nan 0.000 0.445 815 K N 6.876 127.093 120.400 -0.304 0.000 2.368 815 K HA 0.272 4.591 4.320 -0.001 0.000 0.282 815 K C -0.863 175.286 176.600 -0.753 0.000 1.035 815 K CA -0.383 55.437 56.287 -0.778 0.000 0.973 815 K CB 0.556 32.726 32.500 -0.550 0.000 0.957 815 K HN 0.516 nan 8.250 nan 0.000 0.474 816 R N 3.234 123.106 120.500 -1.047 0.000 2.664 816 R HA 0.339 4.679 4.340 -0.001 0.000 0.286 816 R C -0.487 175.321 176.300 -0.819 0.000 0.967 816 R CA -0.773 54.644 56.100 -1.139 0.000 0.933 816 R CB 1.498 30.558 30.300 -2.067 0.000 1.146 816 R HN 0.679 nan 8.270 nan 0.000 0.468 817 R N 1.593 121.825 120.500 -0.445 0.000 2.439 817 R HA 0.283 4.622 4.340 -0.001 0.000 0.310 817 R C -0.439 175.910 176.300 0.081 0.000 0.955 817 R CA -0.665 55.352 56.100 -0.137 0.000 0.853 817 R CB 1.436 31.691 30.300 -0.075 0.000 1.171 817 R HN 0.529 nan 8.270 nan 0.000 0.449 818 R N 4.878 125.537 120.500 0.264 0.000 2.522 818 R HA 0.079 4.419 4.340 -0.001 0.000 0.284 818 R C -0.956 175.431 176.300 0.146 0.000 1.032 818 R CA 0.350 56.629 56.100 0.299 0.000 1.049 818 R CB 0.358 30.815 30.300 0.262 0.000 0.956 818 R HN 0.539 nan 8.270 nan 0.000 0.422 819 L N 5.042 126.328 121.223 0.106 0.000 2.342 819 L HA 0.217 4.556 4.340 -0.001 0.000 0.276 819 L C 0.167 177.031 176.870 -0.011 0.000 0.997 819 L CA -0.666 54.191 54.840 0.029 0.000 0.838 819 L CB 1.961 44.007 42.059 -0.023 0.000 1.224 819 L HN 0.643 nan 8.230 nan 0.000 0.416 820 D N 1.575 121.975 120.400 0.001 0.000 2.347 820 D HA -0.107 4.532 4.640 -0.001 0.000 0.215 820 D C 1.741 178.024 176.300 -0.028 0.000 0.976 820 D CA 0.752 54.747 54.000 -0.007 0.000 0.884 820 D CB 0.387 41.192 40.800 0.008 0.000 0.915 820 D HN 0.552 nan 8.370 nan 0.000 0.526 821 K N 0.223 120.598 120.400 -0.041 0.000 2.439 821 K HA -0.003 4.317 4.320 -0.001 0.000 0.197 821 K C 0.695 177.235 176.600 -0.100 0.000 1.041 821 K CA 0.390 56.649 56.287 -0.047 0.000 0.970 821 K CB 0.296 32.782 32.500 -0.024 0.000 0.773 821 K HN 0.106 nan 8.250 nan 0.000 0.479 822 L N 2.252 123.375 121.223 -0.167 0.000 2.334 822 L HA 0.456 4.795 4.340 -0.001 0.000 0.270 822 L C -2.212 174.553 176.870 -0.175 0.000 1.018 822 L CA -2.903 51.799 54.840 -0.230 0.000 0.811 822 L CB 1.331 43.153 42.059 -0.396 0.000 1.271 822 L HN -0.043 nan 8.230 nan 0.000 0.443 823 P HA 0.044 nan 4.420 nan 0.000 0.274 823 P C 0.816 177.988 177.300 -0.214 0.000 1.256 823 P CA -0.436 62.567 63.100 -0.160 0.000 0.795 823 P CB 1.248 32.877 31.700 -0.118 0.000 1.038 824 L N 0.771 121.896 121.223 -0.164 0.000 2.013 824 L HA -0.268 4.071 4.340 -0.001 0.000 0.212 824 L C 2.494 179.269 176.870 -0.157 0.000 1.073 824 L CA 1.886 56.653 54.840 -0.121 0.000 0.753 824 L CB -0.671 41.310 42.059 -0.130 0.000 0.890 824 L HN 0.418 nan 8.230 nan 0.000 0.432 825 Q N -0.324 119.268 119.800 -0.346 0.000 2.364 825 Q HA -0.157 4.182 4.340 -0.001 0.000 0.207 825 Q C 1.834 177.724 176.000 -0.182 0.000 0.970 825 Q CA 1.434 57.067 55.803 -0.284 0.000 0.888 825 Q CB -0.479 28.011 28.738 -0.414 0.000 0.951 825 Q HN 0.606 nan 8.270 nan 0.000 0.469 826 A N 1.397 123.897 122.820 -0.533 0.000 2.119 826 A HA -0.028 4.291 4.320 -0.001 0.000 0.216 826 A C 1.610 179.009 177.584 -0.308 0.000 1.152 826 A CA 0.660 52.221 52.037 -0.793 0.000 0.708 826 A CB -0.159 18.016 19.000 -1.374 0.000 0.805 826 A HN 0.329 nan 8.150 nan 0.000 0.460 827 N N -1.166 117.469 118.700 -0.108 0.000 2.336 827 N HA 0.060 4.799 4.740 -0.001 0.000 0.189 827 N C -0.868 174.743 175.510 0.168 0.000 1.113 827 N CA 0.205 53.312 53.050 0.096 0.000 0.858 827 N CB 0.065 38.654 38.487 0.170 0.000 0.970 827 N HN 0.459 nan 8.380 nan 0.000 0.471 828 Y N 0.234 120.489 120.300 -0.075 0.000 2.304 828 Y HA 0.212 4.761 4.550 -0.001 0.000 0.328 828 Y C -0.201 175.638 175.900 -0.102 0.000 1.123 828 Y CA -0.130 58.008 58.100 0.064 0.000 1.218 828 Y CB 0.422 38.998 38.460 0.194 0.000 1.207 828 Y HN -0.068 nan 8.280 nan 0.000 0.495 829 Y N 3.190 123.637 120.300 0.245 0.000 2.605 829 Y HA 0.461 5.010 4.550 -0.001 0.000 0.343 829 Y C -2.316 173.272 175.900 -0.519 0.000 1.036 829 Y CA -2.940 55.144 58.100 -0.025 0.000 1.065 829 Y CB 1.449 39.888 38.460 -0.035 0.000 1.288 829 Y HN 0.440 nan 8.280 nan 0.000 0.481 830 P HA 0.135 nan 4.420 nan 0.000 0.271 830 P C -0.658 176.395 177.300 -0.412 0.000 1.216 830 P CA 0.224 62.726 63.100 -0.996 0.000 0.776 830 P CB 0.571 31.596 31.700 -1.124 0.000 0.881 831 I N 4.786 125.199 120.570 -0.262 0.000 2.697 831 I HA 0.173 4.343 4.170 -0.001 0.000 0.279 831 I C -1.774 174.271 176.117 -0.120 0.000 1.171 831 I CA -2.452 58.767 61.300 -0.134 0.000 1.135 831 I CB 0.811 38.789 38.000 -0.036 0.000 1.445 831 I HN 0.192 nan 8.210 nan 0.000 0.541 832 P HA -0.038 nan 4.420 nan 0.000 0.222 832 P C 1.074 178.340 177.300 -0.057 0.000 1.153 832 P CA 1.141 64.166 63.100 -0.126 0.000 0.798 832 P CB 0.601 32.196 31.700 -0.175 0.000 0.796 833 S N -3.352 112.316 115.700 -0.053 0.000 2.615 833 S HA 0.470 4.939 4.470 -0.001 0.000 0.277 833 S C 0.543 175.227 174.600 0.139 0.000 1.068 833 S CA 0.340 58.566 58.200 0.043 0.000 1.315 833 S CB 0.276 63.522 63.200 0.077 0.000 1.193 833 S HN 0.306 nan 8.310 nan 0.000 0.656 834 G N 1.520 110.407 108.800 0.145 0.000 2.466 834 G HA2 0.556 4.516 3.960 -0.001 0.000 0.291 834 G HA3 0.556 4.516 3.960 -0.001 0.000 0.291 834 G C -1.473 173.678 174.900 0.419 0.000 1.460 834 G CA -0.440 44.872 45.100 0.354 0.000 0.791 834 G HN 0.881 nan 8.290 nan 0.000 0.505 835 M N -0.682 119.182 119.600 0.440 0.000 2.578 835 M HA 0.892 5.372 4.480 -0.001 0.000 0.276 835 M C -1.706 174.833 176.300 0.398 0.000 1.245 835 M CA -1.021 54.500 55.300 0.368 0.000 0.871 835 M CB 2.535 35.259 32.600 0.207 0.000 1.722 835 M HN 1.183 nan 8.290 nan 0.000 0.473 836 F N 0.776 120.869 119.950 0.239 0.000 2.668 836 F HA 0.905 5.432 4.527 -0.001 0.000 0.309 836 F C -1.732 174.200 175.800 0.219 0.000 1.117 836 F CA -1.199 56.880 58.000 0.131 0.000 0.951 836 F CB 1.094 40.084 39.000 -0.016 0.000 1.323 836 F HN 0.791 nan 8.300 nan 0.000 0.451 837 I N -0.261 120.542 120.570 0.388 0.000 2.892 837 I HA 0.902 5.071 4.170 -0.001 0.000 0.306 837 I C -1.377 174.926 176.117 0.311 0.000 1.078 837 I CA -0.906 60.588 61.300 0.323 0.000 1.032 837 I CB 2.440 40.545 38.000 0.175 0.000 1.229 837 I HN 0.960 nan 8.210 nan 0.000 0.435 838 E N 1.817 122.181 120.200 0.273 0.000 2.423 838 E HA 0.532 4.882 4.350 -0.001 0.000 0.280 838 E C -2.074 174.609 176.600 0.138 0.000 1.030 838 E CA -0.829 55.675 56.400 0.173 0.000 0.812 838 E CB 2.205 32.001 29.700 0.160 0.000 1.313 838 E HN 0.745 nan 8.360 nan 0.000 0.456 839 D N 0.446 120.897 120.400 0.085 0.000 2.784 839 D HA 0.459 5.098 4.640 -0.001 0.000 0.256 839 D C 0.845 177.173 176.300 0.047 0.000 1.129 839 D CA -0.161 53.881 54.000 0.070 0.000 1.102 839 D CB 0.036 40.870 40.800 0.056 0.000 1.330 839 D HN 0.450 nan 8.370 nan 0.000 0.626 840 A N -0.762 122.080 122.820 0.036 0.000 2.019 840 A HA -0.138 4.182 4.320 -0.001 0.000 0.219 840 A C 1.497 179.085 177.584 0.006 0.000 1.164 840 A CA 1.467 53.517 52.037 0.022 0.000 0.644 840 A CB -0.701 18.311 19.000 0.019 0.000 0.805 840 A HN 0.506 nan 8.150 nan 0.000 0.449 841 N N -1.739 116.964 118.700 0.004 0.000 2.397 841 N HA 0.072 4.812 4.740 -0.001 0.000 0.190 841 N C -0.442 175.056 175.510 -0.020 0.000 1.099 841 N CA 0.725 53.769 53.050 -0.009 0.000 0.876 841 N CB 0.680 39.163 38.487 -0.006 0.000 1.143 841 N HN 0.292 nan 8.380 nan 0.000 0.468 842 T N 0.573 115.120 114.554 -0.011 0.000 2.893 842 T HA 0.443 4.793 4.350 -0.001 0.000 0.293 842 T C -0.602 174.089 174.700 -0.016 0.000 1.027 842 T CA -0.646 61.441 62.100 -0.022 0.000 0.988 842 T CB 2.857 71.717 68.868 -0.014 0.000 1.043 842 T HN -0.044 nan 8.240 nan 0.000 0.461 843 R N 1.980 122.453 120.500 -0.045 0.000 2.686 843 R HA 0.733 5.073 4.340 -0.001 0.000 0.286 843 R C -1.927 174.347 176.300 -0.042 0.000 0.969 843 R CA -0.904 55.170 56.100 -0.043 0.000 0.898 843 R CB 1.294 31.503 30.300 -0.152 0.000 1.183 843 R HN 0.455 nan 8.270 nan 0.000 0.456 844 L N 2.658 123.887 121.223 0.009 0.000 2.349 844 L HA 0.493 4.833 4.340 -0.001 0.000 0.278 844 L C -1.295 175.612 176.870 0.061 0.000 0.996 844 L CA 0.078 54.916 54.840 -0.003 0.000 0.825 844 L CB 2.245 44.288 42.059 -0.026 0.000 1.243 844 L HN 0.639 nan 8.230 nan 0.000 0.412 845 T N 5.658 120.226 114.554 0.023 0.000 2.797 845 T HA 0.567 4.916 4.350 -0.001 0.000 0.279 845 T C -1.018 173.743 174.700 0.101 0.000 0.991 845 T CA -0.278 61.876 62.100 0.091 0.000 0.979 845 T CB 1.411 70.257 68.868 -0.037 0.000 0.943 845 T HN 0.463 nan 8.240 nan 0.000 0.444 846 L N 5.045 126.365 121.223 0.160 0.000 2.298 846 L HA 0.530 4.870 4.340 -0.001 0.000 0.284 846 L C -1.265 175.748 176.870 0.238 0.000 1.013 846 L CA -0.706 54.239 54.840 0.176 0.000 0.824 846 L CB 0.530 42.672 42.059 0.138 0.000 1.221 846 L HN 0.409 nan 8.230 nan 0.000 0.418 847 L N 4.125 125.489 121.223 0.235 0.000 2.343 847 L HA 0.626 4.966 4.340 -0.001 0.000 0.275 847 L C 0.267 177.281 176.870 0.241 0.000 1.056 847 L CA -0.201 54.775 54.840 0.227 0.000 0.804 847 L CB 1.437 43.595 42.059 0.165 0.000 1.203 847 L HN 0.614 nan 8.230 nan 0.000 0.440 848 T N 0.436 115.083 114.554 0.155 0.000 2.887 848 T HA 0.493 4.842 4.350 -0.001 0.000 0.288 848 T C 0.828 175.483 174.700 -0.075 0.000 1.021 848 T CA -0.360 61.749 62.100 0.015 0.000 1.000 848 T CB 1.934 70.840 68.868 0.064 0.000 1.034 848 T HN 0.773 nan 8.240 nan 0.000 0.467 849 G N 1.380 110.057 108.800 -0.204 0.000 3.284 849 G HA2 0.345 4.305 3.960 -0.001 0.000 0.236 849 G HA3 0.345 4.305 3.960 -0.001 0.000 0.236 849 G C 0.132 174.957 174.900 -0.125 0.000 1.158 849 G CA -0.280 44.732 45.100 -0.147 0.000 0.774 849 G HN 0.609 nan 8.290 nan 0.000 0.545 850 Q N -0.221 119.502 119.800 -0.127 0.000 2.479 850 Q HA 0.312 4.652 4.340 -0.001 0.000 0.276 850 Q C -3.547 172.412 176.000 -0.068 0.000 0.989 850 Q CA -2.274 53.482 55.803 -0.078 0.000 0.864 850 Q CB 1.945 30.654 28.738 -0.049 0.000 1.444 850 Q HN -0.007 nan 8.270 nan 0.000 0.388 851 P HA 0.476 nan 4.420 nan 0.000 0.280 851 P C -0.699 176.586 177.300 -0.024 0.000 1.244 851 P CA -0.184 62.896 63.100 -0.033 0.000 0.784 851 P CB 1.055 32.742 31.700 -0.020 0.000 0.913 852 L N 1.564 122.768 121.223 -0.031 0.000 2.491 852 L HA 0.660 4.999 4.340 -0.001 0.000 0.254 852 L C 0.736 177.624 176.870 0.030 0.000 1.048 852 L CA -1.140 53.705 54.840 0.008 0.000 0.855 852 L CB 2.112 44.161 42.059 -0.017 0.000 1.466 852 L HN 0.346 nan 8.230 nan 0.000 0.409 853 G N -0.905 107.971 108.800 0.127 0.000 2.448 853 G HA2 0.667 4.627 3.960 -0.001 0.000 0.285 853 G HA3 0.667 4.627 3.960 -0.001 0.000 0.285 853 G C -0.469 174.457 174.900 0.044 0.000 1.176 853 G CA 0.142 45.375 45.100 0.222 0.000 0.852 853 G HN 0.872 nan 8.290 nan 0.000 0.530 854 G N -1.403 107.228 108.800 -0.282 0.000 2.550 854 G HA2 0.666 4.626 3.960 -0.001 0.000 0.293 854 G HA3 0.666 4.626 3.960 -0.001 0.000 0.293 854 G C -1.203 173.236 174.900 -0.768 0.000 1.402 854 G CA 0.406 45.138 45.100 -0.613 0.000 0.784 854 G HN 1.236 nan 8.290 nan 0.000 0.482 855 S N -1.859 113.448 115.700 -0.656 0.000 2.661 855 S HA 0.739 5.209 4.470 -0.001 0.000 0.268 855 S C -1.507 172.631 174.600 -0.770 0.000 1.162 855 S CA 0.282 58.104 58.200 -0.630 0.000 0.817 855 S CB 1.389 64.296 63.200 -0.490 0.000 1.141 855 S HN 1.519 nan 8.310 nan 0.000 0.477 856 S N 1.628 116.577 115.700 -1.251 0.000 2.718 856 S HA 0.493 4.962 4.470 -0.001 0.000 0.294 856 S C 0.098 174.445 174.600 -0.422 0.000 1.157 856 S CA -0.629 57.117 58.200 -0.758 0.000 1.121 856 S CB 0.013 62.711 63.200 -0.837 0.000 1.015 856 S HN 0.579 nan 8.310 nan 0.000 0.479 857 L N 3.228 124.343 121.223 -0.181 0.000 2.592 857 L HA 0.501 4.840 4.340 -0.001 0.000 0.227 857 L C 0.837 177.697 176.870 -0.016 0.000 1.127 857 L CA 0.230 55.045 54.840 -0.043 0.000 0.884 857 L CB 0.051 42.144 42.059 0.057 0.000 1.065 857 L HN 0.698 nan 8.230 nan 0.000 0.457 858 A N -1.237 121.561 122.820 -0.037 0.000 2.612 858 A HA 0.469 4.788 4.320 -0.001 0.000 0.293 858 A C -0.466 177.115 177.584 -0.006 0.000 1.075 858 A CA -0.439 51.595 52.037 -0.005 0.000 0.680 858 A CB 1.238 20.242 19.000 0.006 0.000 1.279 858 A HN -0.140 nan 8.150 nan 0.000 0.411 859 S N -0.168 115.542 115.700 0.016 0.000 2.558 859 S HA 0.399 4.868 4.470 -0.001 0.000 0.293 859 S C 1.510 176.129 174.600 0.030 0.000 1.292 859 S CA 1.863 60.081 58.200 0.029 0.000 1.063 859 S CB -0.071 63.149 63.200 0.034 0.000 0.831 859 S HN 2.654 nan 8.310 nan 0.000 0.499 860 G N 3.408 112.229 108.800 0.035 0.000 2.179 860 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.260 860 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.260 860 G C -0.157 174.742 174.900 -0.002 0.000 0.977 860 G CA 0.461 45.583 45.100 0.036 0.000 0.641 860 G HN 0.716 nan 8.290 nan 0.000 0.533 861 E N -0.504 119.678 120.200 -0.030 0.000 2.212 861 E HA 0.769 5.119 4.350 -0.001 0.000 0.270 861 E C -0.208 176.327 176.600 -0.109 0.000 0.956 861 E CA -0.758 55.602 56.400 -0.068 0.000 0.825 861 E CB 1.807 31.467 29.700 -0.065 0.000 1.167 861 E HN 0.238 nan 8.360 nan 0.000 0.400 862 L N 1.662 122.814 121.223 -0.119 0.000 2.370 862 L HA 0.488 4.828 4.340 -0.001 0.000 0.266 862 L C -0.576 176.217 176.870 -0.128 0.000 1.002 862 L CA -0.629 54.130 54.840 -0.136 0.000 0.818 862 L CB 1.990 43.999 42.059 -0.084 0.000 1.325 862 L HN 0.665 nan 8.230 nan 0.000 0.418 863 E N 2.865 122.981 120.200 -0.141 0.000 2.390 863 E HA 0.707 5.057 4.350 -0.001 0.000 0.277 863 E C -1.651 174.895 176.600 -0.089 0.000 0.939 863 E CA -0.839 55.512 56.400 -0.082 0.000 0.769 863 E CB 2.923 32.622 29.700 -0.002 0.000 1.251 863 E HN 0.452 nan 8.360 nan 0.000 0.450 864 I N 2.135 122.692 120.570 -0.021 0.000 2.571 864 I HA 0.228 4.398 4.170 -0.001 0.000 0.289 864 I C -0.864 175.315 176.117 0.104 0.000 1.115 864 I CA -1.095 60.215 61.300 0.016 0.000 1.045 864 I CB 2.093 40.109 38.000 0.026 0.000 1.238 864 I HN 0.659 nan 8.210 nan 0.000 0.424 865 M N 4.999 124.700 119.600 0.168 0.000 2.233 865 M HA 0.157 4.636 4.480 -0.001 0.000 0.350 865 M C 0.858 177.256 176.300 0.163 0.000 1.176 865 M CA 0.621 56.028 55.300 0.179 0.000 1.150 865 M CB 0.669 33.351 32.600 0.136 0.000 1.530 865 M HN 0.445 nan 8.290 nan 0.000 0.459 866 Q N 1.318 121.248 119.800 0.216 0.000 2.304 866 Q HA 0.264 4.603 4.340 -0.001 0.000 0.204 866 Q C -0.293 175.916 176.000 0.348 0.000 0.936 866 Q CA 0.794 56.794 55.803 0.328 0.000 0.878 866 Q CB 0.411 29.370 28.738 0.368 0.000 0.983 866 Q HN 0.770 nan 8.270 nan 0.000 0.516 867 D N -0.887 119.647 120.400 0.224 0.000 2.671 867 D HA 0.298 4.938 4.640 -0.001 0.000 0.273 867 D C -1.434 174.937 176.300 0.118 0.000 1.264 867 D CA -0.486 53.623 54.000 0.182 0.000 0.788 867 D CB 1.450 42.348 40.800 0.163 0.000 1.324 867 D HN 0.038 nan 8.370 nan 0.000 0.424 868 R N 0.757 121.316 120.500 0.099 0.000 2.584 868 R HA 0.680 5.019 4.340 -0.001 0.000 0.276 868 R C -1.104 175.241 176.300 0.074 0.000 1.046 868 R CA -1.055 55.087 56.100 0.069 0.000 0.906 868 R CB 2.065 32.377 30.300 0.020 0.000 1.215 868 R HN 0.324 nan 8.270 nan 0.000 0.449 869 R N 3.701 124.243 120.500 0.069 0.000 2.451 869 R HA 0.485 4.824 4.340 -0.001 0.000 0.307 869 R C -1.487 174.847 176.300 0.057 0.000 0.965 869 R CA -0.558 55.580 56.100 0.063 0.000 0.865 869 R CB 1.285 31.619 30.300 0.057 0.000 1.174 869 R HN 0.717 nan 8.270 nan 0.000 0.455 870 L N 3.951 125.206 121.223 0.053 0.000 2.409 870 L HA 0.513 4.853 4.340 -0.001 0.000 0.272 870 L C 0.671 177.565 176.870 0.041 0.000 0.980 870 L CA -0.581 54.288 54.840 0.048 0.000 0.826 870 L CB 2.171 44.260 42.059 0.049 0.000 1.268 870 L HN 0.814 nan 8.230 nan 0.000 0.407 871 A N 1.609 124.450 122.820 0.034 0.000 2.067 871 A HA 0.147 4.466 4.320 -0.001 0.000 0.217 871 A C 0.964 178.563 177.584 0.026 0.000 1.156 871 A CA 0.625 52.679 52.037 0.028 0.000 0.683 871 A CB 0.027 19.041 19.000 0.022 0.000 0.808 871 A HN 0.604 nan 8.150 nan 0.000 0.455 872 S N -0.003 115.713 115.700 0.026 0.000 2.608 872 S HA 0.397 4.866 4.470 -0.001 0.000 0.291 872 S C -0.541 174.077 174.600 0.030 0.000 1.146 872 S CA -0.627 57.587 58.200 0.023 0.000 1.043 872 S CB 1.391 64.600 63.200 0.016 0.000 1.037 872 S HN 0.500 nan 8.310 nan 0.000 0.520 873 D N 0.386 120.804 120.400 0.030 0.000 2.341 873 D HA 0.201 4.841 4.640 -0.001 0.000 0.245 873 D C -0.192 176.128 176.300 0.032 0.000 1.106 873 D CA -0.365 53.661 54.000 0.043 0.000 0.905 873 D CB 0.657 41.481 40.800 0.040 0.000 1.202 873 D HN 0.492 nan 8.370 nan 0.000 0.426 874 D N 1.989 122.415 120.400 0.043 0.000 2.559 874 D HA 0.093 4.733 4.640 -0.001 0.000 0.234 874 D C -0.327 175.941 176.300 -0.052 0.000 1.226 874 D CA -0.334 53.660 54.000 -0.009 0.000 0.830 874 D CB -0.367 40.417 40.800 -0.027 0.000 1.028 874 D HN 0.689 nan 8.370 nan 0.000 0.492 875 E N -0.481 119.712 120.200 -0.011 0.000 3.070 875 E HA -0.202 4.147 4.350 -0.001 0.000 0.285 875 E C 0.353 176.925 176.600 -0.046 0.000 0.972 875 E CA 0.235 56.623 56.400 -0.019 0.000 0.915 875 E CB -0.622 29.060 29.700 -0.030 0.000 1.466 875 E HN 0.164 nan 8.360 nan 0.000 0.432 876 R N -0.620 119.830 120.500 -0.084 0.000 2.472 876 R HA 0.232 4.572 4.340 -0.001 0.000 0.279 876 R C 1.363 177.747 176.300 0.140 0.000 0.953 876 R CA 0.756 56.742 56.100 -0.190 0.000 1.088 876 R CB 1.046 30.794 30.300 -0.921 0.000 1.197 876 R HN 0.380 nan 8.270 nan 0.000 0.536 877 G N 0.717 109.664 108.800 0.246 0.000 2.201 877 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.212 877 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.212 877 G C 0.698 175.707 174.900 0.183 0.000 0.994 877 G CA 0.197 45.514 45.100 0.360 0.000 0.644 877 G HN 0.281 nan 8.290 nan 0.000 0.508 878 L N 1.478 122.895 121.223 0.323 0.000 2.156 878 L HA 0.477 4.816 4.340 -0.001 0.000 0.208 878 L C 2.151 179.001 176.870 -0.033 0.000 1.095 878 L CA 2.554 57.460 54.840 0.110 0.000 0.770 878 L CB -0.559 41.733 42.059 0.389 0.000 0.914 878 L HN 1.659 nan 8.230 nan 0.000 0.439 879 G N -0.251 108.567 108.800 0.030 0.000 2.198 879 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.260 879 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.260 879 G C 0.059 174.962 174.900 0.005 0.000 1.025 879 G CA 0.662 45.761 45.100 -0.001 0.000 0.769 879 G HN 0.786 nan 8.290 nan 0.000 0.507 880 Q N -2.055 117.764 119.800 0.031 0.000 2.575 880 Q HA 0.683 5.023 4.340 -0.001 0.000 0.290 880 Q C 0.450 176.478 176.000 0.047 0.000 0.963 880 Q CA -0.639 55.183 55.803 0.031 0.000 0.783 880 Q CB 0.499 29.253 28.738 0.026 0.000 1.467 880 Q HN 0.898 nan 8.270 nan 0.000 0.402 881 G N 0.098 108.922 108.800 0.040 0.000 2.504 881 G HA2 0.484 4.444 3.960 -0.001 0.000 0.257 881 G HA3 0.484 4.444 3.960 -0.001 0.000 0.257 881 G C -0.881 174.049 174.900 0.049 0.000 1.451 881 G CA -0.575 44.552 45.100 0.044 0.000 1.059 881 G HN 0.403 nan 8.290 nan 0.000 0.550 882 V N 0.876 120.821 119.914 0.052 0.000 2.305 882 V HA 0.351 4.470 4.120 -0.001 0.000 0.275 882 V C 0.063 176.194 176.094 0.061 0.000 1.020 882 V CA -0.135 62.202 62.300 0.063 0.000 0.811 882 V CB 0.878 32.743 31.823 0.069 0.000 1.031 882 V HN 0.527 nan 8.190 nan 0.000 0.439 883 L N 3.227 124.485 121.223 0.058 0.000 3.229 883 L HA 0.322 4.661 4.340 -0.001 0.000 0.286 883 L C 0.596 177.497 176.870 0.051 0.000 1.239 883 L CA 0.038 54.908 54.840 0.050 0.000 1.035 883 L CB 0.742 42.825 42.059 0.039 0.000 1.408 883 L HN 0.665 nan 8.230 nan 0.000 0.593 884 D N -2.160 118.280 120.400 0.066 0.000 2.559 884 D HA 0.055 4.694 4.640 -0.001 0.000 0.234 884 D C 0.154 176.499 176.300 0.075 0.000 1.226 884 D CA -0.458 53.582 54.000 0.067 0.000 0.830 884 D CB -0.391 40.457 40.800 0.081 0.000 1.028 884 D HN 0.078 nan 8.370 nan 0.000 0.492 885 N N 1.723 120.465 118.700 0.070 0.000 2.345 885 N HA 0.084 4.824 4.740 -0.001 0.000 0.243 885 N C 0.220 175.742 175.510 0.021 0.000 1.246 885 N CA 0.418 53.508 53.050 0.068 0.000 0.863 885 N CB 0.638 39.161 38.487 0.061 0.000 1.096 885 N HN 0.318 nan 8.380 nan 0.000 0.446 886 K N -0.381 120.017 120.400 -0.004 0.000 2.512 886 K HA 0.558 4.877 4.320 -0.001 0.000 0.263 886 K C -3.270 173.302 176.600 -0.046 0.000 0.966 886 K CA -2.023 54.218 56.287 -0.076 0.000 0.851 886 K CB 1.253 33.623 32.500 -0.217 0.000 1.395 886 K HN 0.120 nan 8.250 nan 0.000 0.440 887 P HA -0.002 nan 4.420 nan 0.000 0.265 887 P C -1.053 176.263 177.300 0.027 0.000 1.193 887 P CA -0.438 62.639 63.100 -0.038 0.000 0.765 887 P CB 0.769 32.434 31.700 -0.058 0.000 0.823 888 V N 5.003 124.896 119.914 -0.036 0.000 2.841 888 V HA 0.487 4.606 4.120 -0.001 0.000 0.310 888 V C -1.418 174.543 176.094 -0.222 0.000 1.090 888 V CA -1.080 61.178 62.300 -0.071 0.000 0.930 888 V CB 2.111 33.871 31.823 -0.105 0.000 1.014 888 V HN 0.273 nan 8.190 nan 0.000 0.425 889 L N 6.864 127.986 121.223 -0.169 0.000 2.272 889 L HA 0.601 4.941 4.340 -0.001 0.000 0.284 889 L C -0.409 176.434 176.870 -0.045 0.000 1.045 889 L CA 0.126 54.900 54.840 -0.110 0.000 0.842 889 L CB 0.374 42.393 42.059 -0.067 0.000 1.224 889 L HN 0.706 nan 8.230 nan 0.000 0.430 890 H N 5.710 124.790 119.070 0.018 0.000 2.548 890 H HA 0.491 5.046 4.556 -0.001 0.000 0.331 890 H C -0.111 175.100 175.328 -0.194 0.000 1.093 890 H CA -0.192 55.809 56.048 -0.080 0.000 1.367 890 H CB 1.215 31.002 29.762 0.042 0.000 1.455 890 H HN 0.694 nan 8.280 nan 0.000 0.519 891 I N 0.280 120.666 120.570 -0.305 0.000 2.689 891 I HA 0.612 4.781 4.170 -0.001 0.000 0.299 891 I C -1.417 174.336 176.117 -0.607 0.000 1.059 891 I CA -0.957 60.178 61.300 -0.274 0.000 1.055 891 I CB 2.180 40.115 38.000 -0.109 0.000 1.243 891 I HN 0.243 nan 8.210 nan 0.000 0.425 892 Y N 2.413 122.752 120.300 0.066 0.000 2.625 892 Y HA 0.694 5.243 4.550 -0.001 0.000 0.338 892 Y C -0.612 175.333 175.900 0.074 0.000 1.123 892 Y CA -1.081 57.066 58.100 0.077 0.000 1.046 892 Y CB 1.629 40.155 38.460 0.111 0.000 1.299 892 Y HN 0.418 nan 8.280 nan 0.000 0.464 893 R N 1.398 122.052 120.500 0.257 0.000 2.686 893 R HA 0.613 4.952 4.340 -0.001 0.000 0.286 893 R C -1.934 174.475 176.300 0.183 0.000 0.969 893 R CA -1.149 55.057 56.100 0.177 0.000 0.898 893 R CB 2.623 32.986 30.300 0.104 0.000 1.183 893 R HN 0.652 nan 8.270 nan 0.000 0.456 894 L N 2.375 123.687 121.223 0.150 0.000 2.342 894 L HA 0.431 4.771 4.340 -0.001 0.000 0.276 894 L C -1.244 175.656 176.870 0.049 0.000 0.997 894 L CA -0.552 54.353 54.840 0.109 0.000 0.838 894 L CB 1.814 43.955 42.059 0.137 0.000 1.224 894 L HN 0.307 nan 8.230 nan 0.000 0.416 895 V N 6.229 126.155 119.914 0.020 0.000 2.326 895 V HA 0.389 4.509 4.120 -0.001 0.000 0.281 895 V C -0.306 175.762 176.094 -0.043 0.000 1.015 895 V CA -0.575 61.716 62.300 -0.015 0.000 0.823 895 V CB 1.372 33.178 31.823 -0.028 0.000 1.009 895 V HN 0.636 nan 8.190 nan 0.000 0.436 896 L N 5.452 126.646 121.223 -0.049 0.000 2.276 896 L HA 0.662 5.002 4.340 -0.001 0.000 0.286 896 L C -0.106 176.724 176.870 -0.067 0.000 1.061 896 L CA 0.715 55.517 54.840 -0.063 0.000 0.807 896 L CB 0.971 42.991 42.059 -0.066 0.000 1.177 896 L HN 0.723 nan 8.230 nan 0.000 0.429 897 E N 3.382 123.535 120.200 -0.078 0.000 2.383 897 E HA 0.424 4.773 4.350 -0.001 0.000 0.275 897 E C -1.238 175.316 176.600 -0.078 0.000 0.918 897 E CA -1.200 55.150 56.400 -0.083 0.000 0.764 897 E CB 1.518 31.151 29.700 -0.112 0.000 1.252 897 E HN 0.243 nan 8.360 nan 0.000 0.449 898 K N 1.356 121.714 120.400 -0.070 0.000 2.276 898 K HA 0.184 4.503 4.320 -0.001 0.000 0.283 898 K C 0.392 176.948 176.600 -0.073 0.000 1.044 898 K CA -0.164 56.086 56.287 -0.062 0.000 0.944 898 K CB 1.073 33.542 32.500 -0.052 0.000 1.012 898 K HN 0.468 nan 8.250 nan 0.000 0.472 899 V N -0.502 119.370 119.914 -0.070 0.000 3.330 899 V HA 0.040 4.159 4.120 -0.001 0.000 0.309 899 V C 1.080 177.138 176.094 -0.059 0.000 1.481 899 V CA -0.298 61.953 62.300 -0.082 0.000 1.068 899 V CB -0.238 31.521 31.823 -0.107 0.000 0.935 899 V HN 0.609 nan 8.190 nan 0.000 0.453 900 N N 1.273 119.947 118.700 -0.044 0.000 2.443 900 N HA -0.150 4.589 4.740 -0.001 0.000 0.184 900 N C 0.986 176.475 175.510 -0.034 0.000 1.037 900 N CA 1.406 54.437 53.050 -0.031 0.000 0.896 900 N CB -0.476 37.997 38.487 -0.024 0.000 0.959 900 N HN 0.532 nan 8.380 nan 0.000 0.442 901 N N 0.015 118.690 118.700 -0.043 0.000 2.280 901 N HA 0.079 4.819 4.740 -0.001 0.000 0.192 901 N C -0.330 175.149 175.510 -0.051 0.000 1.109 901 N CA -0.129 52.895 53.050 -0.042 0.000 0.855 901 N CB 0.160 38.622 38.487 -0.042 0.000 0.974 901 N HN 0.197 nan 8.380 nan 0.000 0.482 902 c N 1.222 119.785 118.600 -0.061 0.000 2.601 902 c HA 0.279 4.849 4.570 -0.001 0.000 0.409 902 c C 1.013 175.065 174.090 -0.064 0.000 1.293 902 c CA -0.901 55.383 56.329 -0.075 0.000 2.101 902 c CB 0.878 43.330 42.510 -0.098 0.000 2.639 902 c HN 0.006 nan 8.230 nan 0.000 0.592 903 V N 5.501 125.373 119.914 -0.070 0.000 2.387 903 V HA 0.226 4.346 4.120 -0.001 0.000 0.260 903 V C 0.616 176.671 176.094 -0.065 0.000 1.054 903 V CA 0.326 62.589 62.300 -0.061 0.000 0.967 903 V CB -0.599 31.183 31.823 -0.067 0.000 1.036 903 V HN 0.790 nan 8.190 nan 0.000 0.481 904 R N 4.651 125.125 120.500 -0.043 0.000 2.758 904 R HA 0.542 4.881 4.340 -0.001 0.000 0.265 904 R C -2.477 173.814 176.300 -0.015 0.000 1.016 904 R CA -1.893 54.190 56.100 -0.029 0.000 1.040 904 R CB 1.193 31.481 30.300 -0.020 0.000 1.152 904 R HN 0.387 nan 8.270 nan 0.000 0.503 905 P HA -0.038 nan 4.420 nan 0.000 0.270 905 P C -0.367 176.969 177.300 0.059 0.000 1.223 905 P CA -0.186 62.893 63.100 -0.036 0.000 0.785 905 P CB 0.603 32.202 31.700 -0.169 0.000 0.923 906 S N 1.011 116.775 115.700 0.106 0.000 2.587 906 S HA 0.046 4.515 4.470 -0.001 0.000 0.260 906 S C 1.278 175.960 174.600 0.136 0.000 1.353 906 S CA -0.114 58.153 58.200 0.112 0.000 0.995 906 S CB 0.247 63.516 63.200 0.115 0.000 0.912 906 S HN 0.394 nan 8.310 nan 0.000 0.568 907 K N -0.016 120.446 120.400 0.102 0.000 2.280 907 K HA 0.063 4.383 4.320 -0.001 0.000 0.202 907 K C 1.471 178.128 176.600 0.095 0.000 1.047 907 K CA 1.160 57.504 56.287 0.095 0.000 0.942 907 K CB -0.425 32.115 32.500 0.066 0.000 0.739 907 K HN 0.663 nan 8.250 nan 0.000 0.457 908 L N -0.199 121.084 121.223 0.100 0.000 2.567 908 L HA 0.037 4.377 4.340 -0.001 0.000 0.225 908 L C 0.903 177.827 176.870 0.090 0.000 1.119 908 L CA -0.293 54.589 54.840 0.070 0.000 0.871 908 L CB -0.069 42.017 42.059 0.045 0.000 1.036 908 L HN 0.203 nan 8.230 nan 0.000 0.459 909 H N 2.394 121.502 119.070 0.063 0.000 2.722 909 H HA 0.109 4.665 4.556 -0.001 0.000 0.328 909 H C -1.812 173.557 175.328 0.069 0.000 1.067 909 H CA -1.609 54.489 56.048 0.084 0.000 1.447 909 H CB 1.858 31.697 29.762 0.128 0.000 1.469 909 H HN -0.104 nan 8.280 nan 0.000 0.544 910 P HA 0.131 nan 4.420 nan 0.000 0.249 910 P C -0.400 177.011 177.300 0.185 0.000 1.229 910 P CA 0.216 63.349 63.100 0.056 0.000 0.788 910 P CB 0.444 32.105 31.700 -0.065 0.000 1.072 911 A N -0.349 122.757 122.820 0.477 0.000 2.299 911 A HA 0.756 5.076 4.320 -0.001 0.000 0.332 911 A C 0.305 177.955 177.584 0.111 0.000 1.131 911 A CA -0.341 51.840 52.037 0.240 0.000 0.844 911 A CB 1.054 20.185 19.000 0.218 0.000 1.251 911 A HN 0.165 nan 8.150 nan 0.000 0.486 912 G N -1.365 107.374 108.800 -0.100 0.000 2.730 912 G HA2 0.637 4.597 3.960 -0.001 0.000 0.289 912 G HA3 0.637 4.597 3.960 -0.001 0.000 0.289 912 G C -1.856 172.655 174.900 -0.648 0.000 1.341 912 G CA -0.424 44.500 45.100 -0.294 0.000 0.932 912 G HN 0.528 nan 8.290 nan 0.000 0.481 913 Y N -0.878 119.383 120.300 -0.065 0.000 2.492 913 Y HA 0.481 5.031 4.550 -0.001 0.000 0.346 913 Y C 0.376 176.030 175.900 -0.410 0.000 0.997 913 Y CA -0.849 57.145 58.100 -0.176 0.000 1.025 913 Y CB 1.984 40.333 38.460 -0.186 0.000 1.263 913 Y HN 0.346 nan 8.280 nan 0.000 0.454 914 L N 2.204 123.254 121.223 -0.290 0.000 2.464 914 L HA 0.322 4.662 4.340 -0.001 0.000 0.264 914 L C 0.768 177.481 176.870 -0.262 0.000 1.199 914 L CA -0.468 54.125 54.840 -0.412 0.000 0.818 914 L CB 0.690 42.592 42.059 -0.262 0.000 1.102 914 L HN 0.796 nan 8.230 nan 0.000 0.473 915 T N -2.062 112.326 114.554 -0.277 0.000 2.816 915 T HA 0.121 4.470 4.350 -0.001 0.000 0.282 915 T C 1.185 175.829 174.700 -0.094 0.000 0.993 915 T CA -0.596 61.395 62.100 -0.181 0.000 0.994 915 T CB 1.299 70.057 68.868 -0.183 0.000 1.025 915 T HN 0.565 nan 8.240 nan 0.000 0.529 916 S N 1.030 116.686 115.700 -0.073 0.000 2.365 916 S HA -0.157 4.313 4.470 -0.001 0.000 0.225 916 S C 2.476 177.081 174.600 0.009 0.000 1.039 916 S CA 1.378 59.568 58.200 -0.016 0.000 1.033 916 S CB -1.071 62.103 63.200 -0.044 0.000 0.887 916 S HN 0.909 nan 8.310 nan 0.000 0.447 917 A N 1.245 124.045 122.820 -0.032 0.000 1.930 917 A HA 0.165 4.484 4.320 -0.001 0.000 0.217 917 A C 2.328 179.902 177.584 -0.017 0.000 1.175 917 A CA 1.664 53.686 52.037 -0.025 0.000 0.627 917 A CB -0.951 18.024 19.000 -0.042 0.000 0.815 917 A HN 0.530 nan 8.150 nan 0.000 0.443 918 A N -1.106 121.690 122.820 -0.040 0.000 1.929 918 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 918 A C 1.987 179.595 177.584 0.040 0.000 1.176 918 A CA 1.891 53.909 52.037 -0.031 0.000 0.628 918 A CB -0.778 18.148 19.000 -0.124 0.000 0.816 918 A HN 0.746 nan 8.150 nan 0.000 0.444 919 H N 0.177 119.228 119.070 -0.032 0.000 2.321 919 H HA -0.032 4.524 4.556 -0.001 0.000 0.300 919 H C 1.918 177.277 175.328 0.052 0.000 1.087 919 H CA 2.186 58.253 56.048 0.032 0.000 1.319 919 H CB -0.101 29.674 29.762 0.020 0.000 1.379 919 H HN 0.397 nan 8.280 nan 0.000 0.501 920 K N -0.235 120.126 120.400 -0.064 0.000 2.097 920 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 920 K C 2.347 178.905 176.600 -0.070 0.000 1.049 920 K CA 0.913 57.141 56.287 -0.099 0.000 0.933 920 K CB -0.132 32.358 32.500 -0.017 0.000 0.717 920 K HN 0.390 nan 8.250 nan 0.000 0.442 921 A N 0.787 123.590 122.820 -0.029 0.000 1.930 921 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 921 A C 2.197 179.776 177.584 -0.008 0.000 1.175 921 A CA 1.965 53.998 52.037 -0.005 0.000 0.627 921 A CB -0.595 18.417 19.000 0.020 0.000 0.815 921 A HN 0.279 nan 8.150 nan 0.000 0.443 922 S N -0.608 115.090 115.700 -0.004 0.000 2.368 922 S HA -0.232 4.237 4.470 -0.001 0.000 0.225 922 S C 2.124 176.698 174.600 -0.043 0.000 1.030 922 S CA 1.693 59.904 58.200 0.019 0.000 0.999 922 S CB -0.411 62.848 63.200 0.098 0.000 0.844 922 S HN 0.676 nan 8.310 nan 0.000 0.459 923 Q N 0.638 120.364 119.800 -0.124 0.000 2.170 923 Q HA -0.090 4.249 4.340 -0.001 0.000 0.203 923 Q C 2.471 178.411 176.000 -0.100 0.000 0.976 923 Q CA 1.647 57.380 55.803 -0.117 0.000 0.858 923 Q CB -0.306 28.346 28.738 -0.143 0.000 0.907 923 Q HN 0.813 nan 8.270 nan 0.000 0.433 924 S N 0.145 115.798 115.700 -0.078 0.000 2.423 924 S HA -0.068 4.401 4.470 -0.001 0.000 0.231 924 S C 1.838 176.373 174.600 -0.107 0.000 1.014 924 S CA 0.624 58.777 58.200 -0.079 0.000 0.965 924 S CB -0.191 62.983 63.200 -0.043 0.000 0.785 924 S HN 0.281 nan 8.310 nan 0.000 0.495 925 L N 0.023 121.190 121.223 -0.093 0.000 2.168 925 L HA 0.227 4.567 4.340 -0.001 0.000 0.203 925 L C 2.508 179.278 176.870 -0.167 0.000 1.078 925 L CA 0.745 55.520 54.840 -0.108 0.000 0.780 925 L CB -0.353 41.666 42.059 -0.066 0.000 0.939 925 L HN 0.283 nan 8.230 nan 0.000 0.451 926 L N -1.242 119.887 121.223 -0.157 0.000 2.249 926 L HA 0.034 4.373 4.340 -0.001 0.000 0.207 926 L C 0.174 176.857 176.870 -0.313 0.000 1.090 926 L CA 0.775 55.497 54.840 -0.197 0.000 0.802 926 L CB 0.125 42.106 42.059 -0.129 0.000 0.947 926 L HN 0.197 nan 8.230 nan 0.000 0.453 927 D N 0.384 120.598 120.400 -0.310 0.000 2.613 927 D HA 0.231 4.870 4.640 -0.001 0.000 0.312 927 D C -2.352 173.694 176.300 -0.422 0.000 1.202 927 D CA -1.005 52.732 54.000 -0.438 0.000 0.825 927 D CB 1.384 42.141 40.800 -0.071 0.000 1.113 927 D HN 0.046 nan 8.370 nan 0.000 0.502 928 P HA 0.112 nan 4.420 nan 0.000 0.274 928 P C 0.626 177.788 177.300 -0.230 0.000 1.260 928 P CA -0.491 62.422 63.100 -0.312 0.000 0.793 928 P CB 1.509 33.031 31.700 -0.297 0.000 1.048 929 L N 0.736 121.893 121.223 -0.109 0.000 2.514 929 L HA 0.062 4.402 4.340 -0.001 0.000 0.280 929 L C 0.921 177.807 176.870 0.028 0.000 1.223 929 L CA 0.503 55.336 54.840 -0.013 0.000 0.864 929 L CB -0.344 41.721 42.059 0.011 0.000 1.118 929 L HN 0.285 nan 8.230 nan 0.000 0.494 930 D N 3.062 123.571 120.400 0.181 0.000 2.225 930 D HA 0.341 4.980 4.640 -0.001 0.000 0.249 930 D C -0.353 176.003 176.300 0.095 0.000 1.052 930 D CA -0.310 53.786 54.000 0.161 0.000 0.909 930 D CB 1.703 42.696 40.800 0.322 0.000 1.186 930 D HN 0.372 nan 8.370 nan 0.000 0.431 931 K N 1.324 121.658 120.400 -0.110 0.000 2.345 931 K HA 0.479 4.799 4.320 -0.001 0.000 0.255 931 K C -1.048 175.502 176.600 -0.085 0.000 0.934 931 K CA -0.646 55.683 56.287 0.070 0.000 0.801 931 K CB 1.629 34.129 32.500 -0.000 0.000 1.137 931 K HN 0.232 nan 8.250 nan 0.000 0.424 932 F N 2.577 122.735 119.950 0.347 0.000 2.540 932 F HA 0.496 5.023 4.527 -0.001 0.000 0.317 932 F C -0.048 176.040 175.800 0.480 0.000 1.104 932 F CA -0.871 57.314 58.000 0.309 0.000 0.913 932 F CB 1.320 40.317 39.000 -0.004 0.000 1.170 932 F HN 0.196 nan 8.300 nan 0.000 0.450 933 I N 3.528 124.486 120.570 0.647 0.000 2.362 933 I HA 0.227 4.396 4.170 -0.001 0.000 0.289 933 I C -0.595 175.819 176.117 0.495 0.000 0.994 933 I CA -0.824 60.784 61.300 0.513 0.000 1.158 933 I CB 1.270 39.467 38.000 0.329 0.000 1.315 933 I HN 0.436 nan 8.210 nan 0.000 0.451 934 F N 5.695 125.817 119.950 0.286 0.000 2.538 934 F HA 0.243 4.770 4.527 -0.001 0.000 0.371 934 F C 1.182 176.904 175.800 -0.130 0.000 1.087 934 F CA 0.082 57.958 58.000 -0.207 0.000 1.250 934 F CB 1.256 40.158 39.000 -0.163 0.000 1.110 934 F HN 0.600 nan 8.300 nan 0.000 0.570 935 A N 4.282 126.563 122.820 -0.898 0.000 1.935 935 A HA 0.068 4.388 4.320 -0.001 0.000 0.214 935 A C 1.036 178.366 177.584 -0.424 0.000 1.178 935 A CA 0.574 52.297 52.037 -0.524 0.000 0.640 935 A CB -0.311 18.342 19.000 -0.579 0.000 0.825 935 A HN 0.678 nan 8.150 nan 0.000 0.447 936 E N -0.304 119.490 120.200 -0.677 0.000 2.330 936 E HA 0.184 4.534 4.350 -0.001 0.000 0.256 936 E C 0.142 176.838 176.600 0.160 0.000 1.146 936 E CA -0.645 55.655 56.400 -0.167 0.000 0.945 936 E CB 0.161 29.799 29.700 -0.102 0.000 1.182 936 E HN 0.200 nan 8.360 nan 0.000 0.480 937 N N 0.504 119.313 118.700 0.181 0.000 2.250 937 N HA -0.080 4.660 4.740 -0.001 0.000 0.181 937 N C -0.024 175.641 175.510 0.258 0.000 1.017 937 N CA 0.817 53.987 53.050 0.199 0.000 0.866 937 N CB 0.361 38.923 38.487 0.124 0.000 0.985 937 N HN 0.443 nan 8.380 nan 0.000 0.429 938 E N -0.680 119.695 120.200 0.290 0.000 2.256 938 E HA 0.111 4.461 4.350 -0.001 0.000 0.268 938 E C -1.525 175.204 176.600 0.214 0.000 0.877 938 E CA -0.710 55.797 56.400 0.179 0.000 0.757 938 E CB 1.228 30.992 29.700 0.107 0.000 1.183 938 E HN -0.005 nan 8.360 nan 0.000 0.418 939 W N 7.999 129.012 121.300 -0.478 0.000 2.288 939 W HA 0.394 5.053 4.660 -0.001 0.000 0.325 939 W C -1.235 175.096 176.519 -0.312 0.000 1.019 939 W CA -1.397 55.511 57.345 -0.729 0.000 1.403 939 W CB -0.048 28.431 29.460 -1.636 0.000 1.226 939 W HN 0.455 nan 8.180 nan 0.000 0.391 940 I N 6.236 126.931 120.570 0.208 0.000 2.496 940 I HA 0.241 4.410 4.170 -0.001 0.000 0.285 940 I C 1.452 177.584 176.117 0.025 0.000 1.080 940 I CA 0.840 62.180 61.300 0.066 0.000 1.404 940 I CB 0.588 38.650 38.000 0.103 0.000 1.403 940 I HN 0.783 nan 8.210 nan 0.000 0.539 941 G N 4.336 113.060 108.800 -0.126 0.000 2.143 941 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.249 941 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.249 941 G C 0.421 175.096 174.900 -0.376 0.000 0.981 941 G CA -0.050 44.959 45.100 -0.151 0.000 0.665 941 G HN 0.983 nan 8.290 nan 0.000 0.528 942 A N -0.390 121.943 122.820 -0.813 0.000 2.531 942 A HA 0.566 4.885 4.320 -0.001 0.000 0.236 942 A C 0.563 177.731 177.584 -0.694 0.000 1.062 942 A CA 0.844 52.023 52.037 -1.429 0.000 0.760 942 A CB 0.247 18.093 19.000 -1.922 0.000 0.995 942 A HN 0.634 nan 8.150 nan 0.000 0.501 943 Q N 0.599 120.067 119.800 -0.553 0.000 2.351 943 Q HA 0.524 4.863 4.340 -0.001 0.000 0.273 943 Q C 1.087 176.974 176.000 -0.189 0.000 1.077 943 Q CA -0.219 55.427 55.803 -0.262 0.000 0.843 943 Q CB 1.959 30.615 28.738 -0.137 0.000 1.367 943 Q HN 0.801 nan 8.270 nan 0.000 0.449 944 G N 0.124 108.850 108.800 -0.124 0.000 2.603 944 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.214 944 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.214 944 G C 0.191 175.063 174.900 -0.046 0.000 1.140 944 G CA 0.575 45.615 45.100 -0.100 0.000 0.800 944 G HN 0.440 nan 8.290 nan 0.000 0.533 945 Q N -1.486 118.305 119.800 -0.015 0.000 2.527 945 Q HA 0.522 4.862 4.340 -0.001 0.000 0.280 945 Q C -2.375 173.652 176.000 0.044 0.000 0.977 945 Q CA -0.927 54.884 55.803 0.012 0.000 0.837 945 Q CB 2.144 30.875 28.738 -0.013 0.000 1.454 945 Q HN 0.046 nan 8.270 nan 0.000 0.387 946 F N 1.034 120.891 119.950 -0.154 0.000 2.569 946 F HA 0.649 5.176 4.527 -0.001 0.000 0.312 946 F C 0.488 176.031 175.800 -0.429 0.000 1.109 946 F CA 0.462 58.300 58.000 -0.269 0.000 0.919 946 F CB 2.092 40.946 39.000 -0.244 0.000 1.211 946 F HN 0.672 nan 8.300 nan 0.000 0.446 947 G N 3.016 110.835 108.800 -1.635 0.000 2.157 947 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.239 947 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.239 947 G C 1.029 175.239 174.900 -1.150 0.000 0.982 947 G CA 0.220 44.025 45.100 -2.157 0.000 0.650 947 G HN 1.557 nan 8.290 nan 0.000 0.527 948 G N 1.157 109.588 108.800 -0.615 0.000 2.470 948 G HA2 0.019 3.979 3.960 -0.001 0.000 0.220 948 G HA3 0.019 3.979 3.960 -0.001 0.000 0.220 948 G C 1.227 176.067 174.900 -0.099 0.000 1.121 948 G CA 1.755 46.724 45.100 -0.219 0.000 0.766 948 G HN 0.814 nan 8.290 nan 0.000 0.553 949 D N -0.743 119.518 120.400 -0.232 0.000 2.349 949 D HA 0.014 4.654 4.640 -0.001 0.000 0.214 949 D C 0.292 176.596 176.300 0.008 0.000 1.063 949 D CA -0.461 53.499 54.000 -0.067 0.000 0.847 949 D CB -0.865 39.897 40.800 -0.063 0.000 0.933 949 D HN 0.444 nan 8.370 nan 0.000 0.513 950 H N 1.209 120.170 119.070 -0.182 0.000 2.764 950 H HA 0.208 4.764 4.556 -0.001 0.000 0.341 950 H C -1.986 173.311 175.328 -0.052 0.000 1.072 950 H CA -1.684 54.281 56.048 -0.138 0.000 1.444 950 H CB 0.642 30.266 29.762 -0.231 0.000 1.458 950 H HN -0.008 nan 8.280 nan 0.000 0.572 951 P HA -0.055 nan 4.420 nan 0.000 0.268 951 P C -0.642 176.727 177.300 0.115 0.000 1.205 951 P CA 0.055 63.219 63.100 0.107 0.000 0.771 951 P CB 0.735 32.475 31.700 0.066 0.000 0.858 952 S N 2.008 117.812 115.700 0.174 0.000 2.434 952 S HA 0.597 5.067 4.470 -0.001 0.000 0.318 952 S C -0.082 174.628 174.600 0.185 0.000 1.062 952 S CA -0.569 57.764 58.200 0.222 0.000 1.116 952 S CB -0.636 62.814 63.200 0.416 0.000 0.977 952 S HN 0.486 nan 8.310 nan 0.000 0.480 953 A N 4.485 127.406 122.820 0.168 0.000 2.287 953 A HA 0.544 4.863 4.320 -0.001 0.000 0.273 953 A C 0.532 178.184 177.584 0.113 0.000 1.091 953 A CA -0.588 51.524 52.037 0.125 0.000 0.817 953 A CB 0.261 19.332 19.000 0.120 0.000 1.069 953 A HN 0.900 nan 8.150 nan 0.000 0.492 954 R N -0.095 120.440 120.500 0.057 0.000 2.697 954 R HA -0.024 4.315 4.340 -0.001 0.000 0.265 954 R C 1.381 177.688 176.300 0.011 0.000 1.009 954 R CA 0.920 57.025 56.100 0.009 0.000 1.099 954 R CB 0.331 30.621 30.300 -0.016 0.000 0.965 954 R HN 0.917 nan 8.270 nan 0.000 0.428 955 E N 1.561 121.726 120.200 -0.060 0.000 2.265 955 E HA -0.208 4.142 4.350 -0.001 0.000 0.196 955 E C 0.257 176.877 176.600 0.032 0.000 0.996 955 E CA 1.414 57.756 56.400 -0.097 0.000 0.832 955 E CB -0.018 29.597 29.700 -0.141 0.000 0.756 955 E HN 0.717 nan 8.360 nan 0.000 0.491 956 D N 0.669 121.051 120.400 -0.029 0.000 2.340 956 D HA 0.002 4.641 4.640 -0.001 0.000 0.220 956 D C 0.342 176.633 176.300 -0.014 0.000 1.039 956 D CA -0.128 53.814 54.000 -0.098 0.000 0.866 956 D CB -0.020 40.668 40.800 -0.185 0.000 0.913 956 D HN 0.171 nan 8.370 nan 0.000 0.523 957 L N 0.744 122.009 121.223 0.069 0.000 2.309 957 L HA 0.522 4.861 4.340 -0.001 0.000 0.282 957 L C -1.092 175.905 176.870 0.212 0.000 1.036 957 L CA -0.446 54.455 54.840 0.103 0.000 0.806 957 L CB 1.678 43.786 42.059 0.081 0.000 1.220 957 L HN -0.223 nan 8.230 nan 0.000 0.429 958 D N 2.306 122.852 120.400 0.244 0.000 2.671 958 D HA 0.362 5.002 4.640 -0.001 0.000 0.232 958 D C -1.293 175.167 176.300 0.267 0.000 1.114 958 D CA -0.272 53.895 54.000 0.279 0.000 0.858 958 D CB 2.401 43.414 40.800 0.354 0.000 1.544 958 D HN 0.238 nan 8.370 nan 0.000 0.471 959 V N 3.447 123.497 119.914 0.227 0.000 2.267 959 V HA 0.121 4.241 4.120 -0.001 0.000 0.254 959 V C 1.298 177.529 176.094 0.228 0.000 1.144 959 V CA 0.007 62.452 62.300 0.242 0.000 0.992 959 V CB 0.376 32.328 31.823 0.216 0.000 1.199 959 V HN 0.575 nan 8.190 nan 0.000 0.493 960 S N 2.994 118.858 115.700 0.273 0.000 2.383 960 S HA -0.005 4.465 4.470 -0.001 0.000 0.227 960 S C 0.673 175.330 174.600 0.095 0.000 1.026 960 S CA 0.817 59.132 58.200 0.190 0.000 0.981 960 S CB 0.184 63.558 63.200 0.290 0.000 0.818 960 S HN 0.497 nan 8.310 nan 0.000 0.472 961 V N 1.630 121.641 119.914 0.162 0.000 2.686 961 V HA 0.527 4.647 4.120 -0.001 0.000 0.306 961 V C -0.743 175.428 176.094 0.127 0.000 1.065 961 V CA -0.549 61.824 62.300 0.122 0.000 0.894 961 V CB 1.850 33.772 31.823 0.165 0.000 1.004 961 V HN 0.367 nan 8.190 nan 0.000 0.424 962 M N 5.648 125.246 119.600 -0.005 0.000 2.197 962 M HA 0.683 5.163 4.480 -0.001 0.000 0.301 962 M C -1.053 175.082 176.300 -0.276 0.000 0.987 962 M CA -0.500 54.666 55.300 -0.224 0.000 0.921 962 M CB 1.502 33.978 32.600 -0.206 0.000 1.569 962 M HN 0.735 nan 8.290 nan 0.000 0.431 963 R N 4.139 124.404 120.500 -0.393 0.000 2.510 963 R HA 0.423 4.762 4.340 -0.001 0.000 0.294 963 R C -1.352 174.720 176.300 -0.379 0.000 1.056 963 R CA -0.672 55.252 56.100 -0.294 0.000 0.918 963 R CB 1.776 31.985 30.300 -0.153 0.000 1.187 963 R HN 0.907 nan 8.270 nan 0.000 0.437 964 R N 4.413 124.747 120.500 -0.277 0.000 2.442 964 R HA 0.128 4.468 4.340 -0.001 0.000 0.291 964 R C 0.207 176.397 176.300 -0.184 0.000 1.069 964 R CA 0.089 56.051 56.100 -0.229 0.000 1.022 964 R CB 0.625 30.848 30.300 -0.129 0.000 0.976 964 R HN 0.700 nan 8.270 nan 0.000 0.443 965 L N 2.930 124.037 121.223 -0.193 0.000 2.616 965 L HA 0.145 4.485 4.340 -0.001 0.000 0.229 965 L C 0.285 177.104 176.870 -0.085 0.000 1.110 965 L CA 0.044 54.791 54.840 -0.157 0.000 0.884 965 L CB 0.471 42.404 42.059 -0.211 0.000 1.115 965 L HN 0.716 nan 8.230 nan 0.000 0.481 966 T N -2.683 111.832 114.554 -0.065 0.000 2.887 966 T HA 0.455 4.804 4.350 -0.001 0.000 0.288 966 T C -0.244 174.449 174.700 -0.011 0.000 1.021 966 T CA -0.906 61.174 62.100 -0.033 0.000 1.000 966 T CB 2.471 71.325 68.868 -0.023 0.000 1.034 966 T HN -0.088 nan 8.240 nan 0.000 0.467 967 K N 0.850 121.249 120.400 -0.001 0.000 2.117 967 K HA 0.349 4.668 4.320 -0.001 0.000 0.240 967 K C 1.591 178.206 176.600 0.024 0.000 1.031 967 K CA -0.307 55.991 56.287 0.018 0.000 0.909 967 K CB 0.539 33.048 32.500 0.015 0.000 1.097 967 K HN 0.795 nan 8.250 nan 0.000 0.492 968 S N -0.783 114.939 115.700 0.037 0.000 2.481 968 S HA -0.119 4.351 4.470 -0.001 0.000 0.231 968 S C 1.648 176.263 174.600 0.024 0.000 0.996 968 S CA 1.254 59.475 58.200 0.035 0.000 0.942 968 S CB -0.317 62.911 63.200 0.047 0.000 0.768 968 S HN 0.595 nan 8.310 nan 0.000 0.520 969 S N 1.455 117.168 115.700 0.021 0.000 2.522 969 S HA 0.429 4.898 4.470 -0.001 0.000 0.227 969 S C 0.843 175.449 174.600 0.011 0.000 0.986 969 S CA 0.078 58.288 58.200 0.016 0.000 0.929 969 S CB -0.567 62.643 63.200 0.015 0.000 0.769 969 S HN 0.762 nan 8.310 nan 0.000 0.529 970 A N 1.995 124.819 122.820 0.008 0.000 2.454 970 A HA 0.389 4.709 4.320 -0.001 0.000 0.260 970 A C 1.219 178.808 177.584 0.008 0.000 1.106 970 A CA -0.448 51.591 52.037 0.004 0.000 0.780 970 A CB 0.280 19.279 19.000 -0.001 0.000 1.044 970 A HN 0.433 nan 8.150 nan 0.000 0.498 971 K N 1.686 122.090 120.400 0.007 0.000 2.148 971 K HA -0.057 4.263 4.320 -0.001 0.000 0.204 971 K C -0.044 176.564 176.600 0.014 0.000 1.050 971 K CA 1.451 57.744 56.287 0.010 0.000 0.942 971 K CB 0.056 32.559 32.500 0.006 0.000 0.724 971 K HN 0.626 nan 8.250 nan 0.000 0.446 972 T N 2.403 116.963 114.554 0.009 0.000 2.770 972 T HA 0.197 4.547 4.350 -0.001 0.000 0.297 972 T C -0.957 173.756 174.700 0.022 0.000 0.997 972 T CA -0.721 61.388 62.100 0.014 0.000 0.949 972 T CB 1.471 70.337 68.868 -0.003 0.000 0.941 972 T HN 0.078 nan 8.240 nan 0.000 0.457 973 Q N 2.718 122.551 119.800 0.054 0.000 2.340 973 Q HA 0.413 4.753 4.340 -0.001 0.000 0.249 973 Q C 0.032 176.086 176.000 0.091 0.000 0.957 973 Q CA 0.021 55.859 55.803 0.057 0.000 0.882 973 Q CB 1.369 30.141 28.738 0.057 0.000 1.235 973 Q HN 0.536 nan 8.270 nan 0.000 0.439 974 R N 0.306 120.825 120.500 0.031 0.000 2.628 974 R HA 0.638 4.978 4.340 -0.001 0.000 0.288 974 R C -1.074 175.178 176.300 -0.080 0.000 0.980 974 R CA -0.630 55.473 56.100 0.006 0.000 0.891 974 R CB 1.851 32.120 30.300 -0.052 0.000 1.188 974 R HN 0.255 nan 8.270 nan 0.000 0.450 975 V N 1.497 121.361 119.914 -0.085 0.000 2.540 975 V HA 0.631 4.750 4.120 -0.001 0.000 0.302 975 V C 0.212 176.024 176.094 -0.470 0.000 1.035 975 V CA -0.850 61.266 62.300 -0.308 0.000 0.873 975 V CB 2.024 33.671 31.823 -0.293 0.000 0.992 975 V HN 0.940 nan 8.190 nan 0.000 0.428 976 G N 2.918 111.236 108.800 -0.804 0.000 2.371 976 G HA2 0.672 4.632 3.960 -0.001 0.000 0.326 976 G HA3 0.672 4.632 3.960 -0.001 0.000 0.326 976 G C -1.660 172.795 174.900 -0.742 0.000 1.127 976 G CA -0.314 44.142 45.100 -1.073 0.000 0.885 976 G HN 0.510 nan 8.290 nan 0.000 0.477 977 Y N 0.387 120.778 120.300 0.151 0.000 2.442 977 Y HA 0.475 5.025 4.550 -0.001 0.000 0.344 977 Y C -0.133 176.038 175.900 0.452 0.000 0.976 977 Y CA -0.929 57.347 58.100 0.294 0.000 1.040 977 Y CB 2.749 41.346 38.460 0.229 0.000 1.228 977 Y HN 0.346 nan 8.280 nan 0.000 0.451 978 V N 4.775 124.987 119.914 0.496 0.000 2.370 978 V HA 0.374 4.494 4.120 -0.001 0.000 0.283 978 V C -0.903 175.419 176.094 0.380 0.000 1.023 978 V CA -0.661 61.853 62.300 0.358 0.000 0.857 978 V CB 1.567 33.554 31.823 0.273 0.000 0.985 978 V HN 0.539 nan 8.190 nan 0.000 0.443 979 L N 5.309 126.742 121.223 0.349 0.000 2.298 979 L HA 0.596 4.936 4.340 -0.001 0.000 0.284 979 L C -0.681 176.377 176.870 0.314 0.000 1.013 979 L CA -0.169 54.869 54.840 0.330 0.000 0.824 979 L CB 1.164 43.424 42.059 0.335 0.000 1.221 979 L HN 0.775 nan 8.230 nan 0.000 0.418 980 H N 4.363 123.582 119.070 0.250 0.000 2.505 980 H HA 0.545 5.101 4.556 -0.001 0.000 0.338 980 H C -1.012 174.400 175.328 0.140 0.000 1.057 980 H CA -0.538 55.627 56.048 0.196 0.000 1.202 980 H CB 0.996 30.950 29.762 0.321 0.000 1.466 980 H HN 0.624 nan 8.280 nan 0.000 0.499 981 R N 4.449 124.586 120.500 -0.605 0.000 2.295 981 R HA 0.282 4.622 4.340 -0.001 0.000 0.324 981 R C -0.310 175.556 176.300 -0.723 0.000 0.968 981 R CA -0.463 55.360 56.100 -0.461 0.000 0.837 981 R CB 1.259 31.419 30.300 -0.232 0.000 1.133 981 R HN 0.769 nan 8.270 nan 0.000 0.450 982 T N 1.545 115.841 114.554 -0.431 0.000 2.793 982 T HA 0.176 4.526 4.350 -0.001 0.000 0.299 982 T C -0.496 174.028 174.700 -0.294 0.000 1.038 982 T CA -0.438 61.499 62.100 -0.271 0.000 0.948 982 T CB 0.590 69.378 68.868 -0.134 0.000 1.231 982 T HN 0.683 nan 8.240 nan 0.000 0.538 983 N N 0.576 119.127 118.700 -0.248 0.000 2.399 983 N HA 0.471 5.211 4.740 -0.001 0.000 0.284 983 N C -1.456 173.892 175.510 -0.270 0.000 1.025 983 N CA -0.497 52.346 53.050 -0.345 0.000 0.885 983 N CB 0.697 38.825 38.487 -0.599 0.000 1.339 983 N HN 0.471 nan 8.380 nan 0.000 0.487 984 L N 2.593 123.654 121.223 -0.270 0.000 2.331 984 L HA 0.531 4.871 4.340 -0.001 0.000 0.275 984 L C 0.561 177.306 176.870 -0.208 0.000 1.022 984 L CA -1.080 53.636 54.840 -0.207 0.000 0.812 984 L CB 1.505 43.449 42.059 -0.193 0.000 1.257 984 L HN 0.393 nan 8.230 nan 0.000 0.435 985 M N 2.263 121.761 119.600 -0.170 0.000 2.248 985 M HA -0.006 4.473 4.480 -0.001 0.000 0.343 985 M C -0.098 176.115 176.300 -0.145 0.000 1.243 985 M CA 0.292 55.496 55.300 -0.160 0.000 1.025 985 M CB 0.208 32.713 32.600 -0.158 0.000 1.759 985 M HN 0.465 nan 8.290 nan 0.000 0.452 986 Q N 2.429 122.147 119.800 -0.136 0.000 2.323 986 Q HA 0.179 4.518 4.340 -0.001 0.000 0.257 986 Q C -0.061 175.882 176.000 -0.095 0.000 1.022 986 Q CA 0.151 55.888 55.803 -0.111 0.000 0.919 986 Q CB 0.691 29.367 28.738 -0.102 0.000 1.220 986 Q HN 0.760 nan 8.270 nan 0.000 0.427 987 c N 0.550 119.097 118.600 -0.088 0.000 3.240 987 c HA 0.391 4.961 4.570 -0.001 0.000 0.271 987 c C 1.265 175.317 174.090 -0.065 0.000 1.534 987 c CA -0.013 56.269 56.329 -0.079 0.000 1.796 987 c CB -0.331 42.126 42.510 -0.088 0.000 2.892 987 c HN 0.986 nan 8.230 nan 0.000 0.566 988 G N 1.251 110.014 108.800 -0.061 0.000 2.159 988 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.227 988 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.227 988 G C 0.004 174.875 174.900 -0.048 0.000 0.986 988 G CA 0.282 45.352 45.100 -0.050 0.000 0.651 988 G HN 0.431 nan 8.290 nan 0.000 0.523 989 T N 2.241 116.762 114.554 -0.055 0.000 2.749 989 T HA 0.455 4.805 4.350 -0.001 0.000 0.295 989 T C -0.389 174.279 174.700 -0.052 0.000 0.936 989 T CA -0.388 61.681 62.100 -0.052 0.000 1.060 989 T CB 1.721 70.554 68.868 -0.057 0.000 0.904 989 T HN 0.047 nan 8.240 nan 0.000 0.500 990 P HA -0.109 nan 4.420 nan 0.000 0.216 990 P C 0.400 177.668 177.300 -0.054 0.000 1.150 990 P CA 0.551 63.628 63.100 -0.039 0.000 0.843 990 P CB -0.015 31.670 31.700 -0.025 0.000 0.787 991 E N -0.805 119.356 120.200 -0.066 0.000 1.867 991 E HA -0.271 4.079 4.350 -0.001 0.000 0.164 991 E C 0.563 177.086 176.600 -0.128 0.000 1.355 991 E CA 0.045 56.387 56.400 -0.097 0.000 0.575 991 E CB -0.483 29.162 29.700 -0.091 0.000 1.037 991 E HN 0.188 nan 8.360 nan 0.000 0.286 992 E N 0.560 120.663 120.200 -0.162 0.000 4.092 992 E HA 0.147 4.497 4.350 -0.001 0.000 0.295 992 E C -0.798 175.630 176.600 -0.288 0.000 0.821 992 E CA 0.525 56.837 56.400 -0.148 0.000 1.543 992 E CB -0.130 29.549 29.700 -0.036 0.000 2.143 992 E HN 0.524 nan 8.360 nan 0.000 0.465 993 H N -0.196 118.868 119.070 -0.010 0.000 2.029 993 H HA -0.068 4.488 4.556 -0.001 0.000 0.274 993 H C -0.536 174.798 175.328 0.010 0.000 0.671 993 H CA 0.880 56.926 56.048 -0.003 0.000 1.279 993 H CB -1.684 28.074 29.762 -0.007 0.000 1.366 993 H HN 0.235 nan 8.280 nan 0.000 0.309 994 T N 0.565 115.157 114.554 0.063 0.000 2.888 994 T HA 0.567 4.916 4.350 -0.001 0.000 0.288 994 T C -0.163 174.589 174.700 0.087 0.000 1.063 994 T CA -1.301 60.846 62.100 0.078 0.000 1.010 994 T CB 2.085 70.972 68.868 0.031 0.000 1.214 994 T HN 0.709 nan 8.240 nan 0.000 0.533 995 Q N 0.533 120.390 119.800 0.095 0.000 2.214 995 Q HA 0.476 4.816 4.340 -0.001 0.000 0.251 995 Q C -0.481 175.548 176.000 0.047 0.000 0.936 995 Q CA -1.233 54.613 55.803 0.070 0.000 0.894 995 Q CB 1.064 29.852 28.738 0.084 0.000 1.252 995 Q HN 0.296 nan 8.270 nan 0.000 0.448 996 K N 1.500 121.914 120.400 0.024 0.000 2.448 996 K HA 0.096 4.416 4.320 -0.001 0.000 0.278 996 K C -0.686 175.916 176.600 0.003 0.000 1.009 996 K CA -0.143 56.148 56.287 0.006 0.000 0.995 996 K CB 0.188 32.681 32.500 -0.013 0.000 0.917 996 K HN 0.393 nan 8.250 nan 0.000 0.481 997 L N 3.428 124.650 121.223 -0.002 0.000 2.265 997 L HA 0.251 4.591 4.340 -0.001 0.000 0.289 997 L C -0.662 176.170 176.870 -0.063 0.000 1.033 997 L CA -0.255 54.575 54.840 -0.017 0.000 0.814 997 L CB 0.970 43.032 42.059 0.004 0.000 1.203 997 L HN 0.420 nan 8.230 nan 0.000 0.423 998 D N 3.533 123.889 120.400 -0.073 0.000 2.460 998 D HA 0.157 4.797 4.640 -0.001 0.000 0.232 998 D C 1.096 177.302 176.300 -0.156 0.000 1.079 998 D CA -0.277 53.659 54.000 -0.107 0.000 0.864 998 D CB 1.237 42.012 40.800 -0.042 0.000 1.048 998 D HN 0.393 nan 8.370 nan 0.000 0.523 999 V N 1.420 121.145 119.914 -0.316 0.000 2.720 999 V HA -0.164 3.956 4.120 -0.001 0.000 0.256 999 V C 2.046 177.847 176.094 -0.488 0.000 1.082 999 V CA 1.004 62.940 62.300 -0.607 0.000 1.101 999 V CB -1.044 30.130 31.823 -1.083 0.000 0.693 999 V HN 0.608 nan 8.190 nan 0.000 0.479 1000 c N 0.488 118.938 118.600 -0.250 0.000 2.472 1000 c HA 0.072 4.642 4.570 -0.001 0.000 0.278 1000 c C 2.104 176.097 174.090 -0.163 0.000 1.447 1000 c CA 1.083 57.328 56.329 -0.140 0.000 1.773 1000 c CB -1.775 40.644 42.510 -0.152 0.000 1.793 1000 c HN 0.762 nan 8.230 nan 0.000 0.544 1001 H N -0.975 118.071 119.070 -0.039 0.000 2.520 1001 H HA 0.257 4.813 4.556 -0.001 0.000 0.284 1001 H C 1.749 177.113 175.328 0.060 0.000 1.037 1001 H CA 0.003 56.071 56.048 0.032 0.000 1.168 1001 H CB 0.094 29.854 29.762 -0.003 0.000 1.497 1001 H HN 0.340 nan 8.280 nan 0.000 0.547 1002 L N -0.207 121.077 121.223 0.102 0.000 2.141 1002 L HA -0.057 4.282 4.340 -0.001 0.000 0.209 1002 L C -0.190 176.829 176.870 0.249 0.000 1.094 1002 L CA 0.676 55.602 54.840 0.144 0.000 0.763 1002 L CB 0.109 42.214 42.059 0.076 0.000 0.908 1002 L HN 0.161 nan 8.230 nan 0.000 0.437 1003 L N -0.380 120.950 121.223 0.179 0.000 2.331 1003 L HA 0.406 4.745 4.340 -0.001 0.000 0.275 1003 L C -2.032 174.900 176.870 0.104 0.000 1.022 1003 L CA -1.812 53.064 54.840 0.060 0.000 0.812 1003 L CB 0.647 42.496 42.059 -0.349 0.000 1.257 1003 L HN -0.239 nan 8.230 nan 0.000 0.435 1004 P HA 0.194 nan 4.420 nan 0.000 0.276 1004 P C -0.751 176.673 177.300 0.207 0.000 1.261 1004 P CA -0.376 62.805 63.100 0.135 0.000 0.800 1004 P CB 0.342 32.096 31.700 0.089 0.000 1.066 1005 N N -3.268 115.527 118.700 0.158 0.000 2.754 1005 N HA -0.149 4.590 4.740 -0.001 0.000 0.248 1005 N C 0.003 175.587 175.510 0.124 0.000 1.093 1005 N CA 0.014 53.143 53.050 0.132 0.000 0.699 1005 N CB -1.857 36.700 38.487 0.118 0.000 1.016 1005 N HN 0.241 nan 8.380 nan 0.000 0.552 1006 V N 0.053 119.992 119.914 0.042 0.000 2.585 1006 V HA 0.373 4.493 4.120 -0.001 0.000 0.296 1006 V C 1.175 177.158 176.094 -0.186 0.000 1.035 1006 V CA 1.160 63.302 62.300 -0.263 0.000 1.084 1006 V CB 1.240 32.803 31.823 -0.433 0.000 0.953 1006 V HN 0.417 nan 8.190 nan 0.000 0.483 1007 A N 7.000 129.688 122.820 -0.219 0.000 2.287 1007 A HA 0.483 4.803 4.320 -0.001 0.000 0.214 1007 A C 0.921 178.462 177.584 -0.071 0.000 1.228 1007 A CA 0.026 52.003 52.037 -0.101 0.000 0.939 1007 A CB 0.251 19.210 19.000 -0.067 0.000 0.992 1007 A HN 0.777 nan 8.150 nan 0.000 0.502 1008 R N -1.608 118.823 120.500 -0.116 0.000 2.634 1008 R HA 0.484 4.824 4.340 -0.001 0.000 0.263 1008 R C -2.324 173.948 176.300 -0.048 0.000 1.060 1008 R CA -0.333 55.764 56.100 -0.006 0.000 0.898 1008 R CB 1.436 31.749 30.300 0.021 0.000 1.253 1008 R HN 0.288 nan 8.270 nan 0.000 0.461 1009 c N 2.939 121.560 118.600 0.035 0.000 2.431 1009 c HA 0.627 5.196 4.570 -0.001 0.000 0.321 1009 c C -1.183 172.992 174.090 0.143 0.000 1.202 1009 c CA -0.319 56.033 56.329 0.038 0.000 1.398 1009 c CB 1.345 43.838 42.510 -0.028 0.000 2.047 1009 c HN 0.778 nan 8.230 nan 0.000 0.465 1010 E N 3.240 123.553 120.200 0.188 0.000 2.256 1010 E HA 0.385 4.734 4.350 -0.001 0.000 0.267 1010 E C -0.861 175.921 176.600 0.303 0.000 0.892 1010 E CA -0.608 55.923 56.400 0.219 0.000 0.775 1010 E CB 2.228 32.024 29.700 0.161 0.000 1.207 1010 E HN 0.713 nan 8.360 nan 0.000 0.420 1011 R N 0.952 121.607 120.500 0.258 0.000 2.357 1011 R HA 0.313 4.652 4.340 -0.001 0.000 0.296 1011 R C -0.167 176.168 176.300 0.058 0.000 1.052 1011 R CA 0.084 56.258 56.100 0.123 0.000 0.988 1011 R CB 0.586 30.927 30.300 0.070 0.000 1.025 1011 R HN 0.655 nan 8.270 nan 0.000 0.469 1012 T N -0.250 114.312 114.554 0.014 0.000 2.907 1012 T HA 0.355 4.705 4.350 -0.001 0.000 0.290 1012 T C 0.141 174.827 174.700 -0.024 0.000 1.066 1012 T CA -0.766 61.363 62.100 0.048 0.000 1.012 1012 T CB 1.380 70.347 68.868 0.165 0.000 1.184 1012 T HN 0.622 nan 8.240 nan 0.000 0.522 1013 T N 0.110 114.654 114.554 -0.017 0.000 2.791 1013 T HA 0.195 4.544 4.350 -0.001 0.000 0.323 1013 T C 1.568 176.189 174.700 -0.131 0.000 1.082 1013 T CA -0.673 61.394 62.100 -0.055 0.000 1.084 1013 T CB -0.067 68.786 68.868 -0.026 0.000 0.992 1013 T HN 0.563 nan 8.240 nan 0.000 0.547 1014 L N 1.107 122.238 121.223 -0.154 0.000 2.362 1014 L HA -0.028 4.312 4.340 -0.001 0.000 0.219 1014 L C 2.834 179.411 176.870 -0.490 0.000 1.134 1014 L CA 1.374 56.053 54.840 -0.269 0.000 0.807 1014 L CB -0.981 41.007 42.059 -0.119 0.000 0.927 1014 L HN 0.986 nan 8.230 nan 0.000 0.447 1015 T N -4.875 109.501 114.554 -0.297 0.000 3.129 1015 T HA -0.001 4.348 4.350 -0.001 0.000 0.251 1015 T C 0.746 175.339 174.700 -0.179 0.000 1.117 1015 T CA -0.206 61.749 62.100 -0.241 0.000 1.034 1015 T CB -0.148 68.706 68.868 -0.023 0.000 0.968 1015 T HN 0.207 nan 8.240 nan 0.000 0.526 1016 F N -0.890 119.075 119.950 0.024 0.000 2.794 1016 F HA -0.186 4.341 4.527 -0.001 0.000 0.335 1016 F C 1.000 176.803 175.800 0.004 0.000 0.653 1016 F CA -0.094 57.912 58.000 0.011 0.000 1.266 1016 F CB -2.327 36.675 39.000 0.003 0.000 1.666 1016 F HN 0.245 nan 8.300 nan 0.000 0.314 1017 L N -0.814 120.481 121.223 0.120 0.000 2.567 1017 L HA 0.112 4.451 4.340 -0.001 0.000 0.225 1017 L C 1.034 177.928 176.870 0.041 0.000 1.119 1017 L CA 0.829 55.713 54.840 0.073 0.000 0.871 1017 L CB 0.191 42.275 42.059 0.043 0.000 1.036 1017 L HN 0.349 nan 8.230 nan 0.000 0.459 1018 Q N 0.402 120.226 119.800 0.040 0.000 2.305 1018 Q HA 0.275 4.615 4.340 -0.001 0.000 0.271 1018 Q C -1.203 174.818 176.000 0.034 0.000 1.046 1018 Q CA -0.717 55.098 55.803 0.019 0.000 0.798 1018 Q CB 1.932 30.668 28.738 -0.005 0.000 1.286 1018 Q HN 0.062 nan 8.270 nan 0.000 0.435 1019 N N 4.232 122.950 118.700 0.031 0.000 2.458 1019 N HA 0.208 4.948 4.740 -0.001 0.000 0.270 1019 N C 0.241 175.771 175.510 0.033 0.000 1.102 1019 N CA 0.189 53.265 53.050 0.044 0.000 0.967 1019 N CB 1.112 39.621 38.487 0.037 0.000 1.078 1019 N HN 0.646 nan 8.380 nan 0.000 0.471 1020 L N 0.444 121.691 121.223 0.040 0.000 2.537 1020 L HA 0.309 4.649 4.340 -0.001 0.000 0.224 1020 L C 0.619 177.519 176.870 0.049 0.000 1.065 1020 L CA 0.370 55.227 54.840 0.028 0.000 0.860 1020 L CB 0.379 42.443 42.059 0.009 0.000 1.086 1020 L HN 0.521 nan 8.230 nan 0.000 0.482 1021 E N -0.349 119.900 120.200 0.081 0.000 2.354 1021 E HA 0.121 4.471 4.350 -0.001 0.000 0.283 1021 E C -1.402 175.297 176.600 0.165 0.000 0.938 1021 E CA -0.562 55.901 56.400 0.105 0.000 0.777 1021 E CB 1.648 31.401 29.700 0.088 0.000 1.222 1021 E HN 0.095 nan 8.360 nan 0.000 0.423 1022 H N 6.033 125.129 119.070 0.044 0.000 2.604 1022 H HA 0.340 4.896 4.556 -0.001 0.000 0.306 1022 H C -0.848 174.506 175.328 0.043 0.000 1.075 1022 H CA -0.539 55.532 56.048 0.039 0.000 1.357 1022 H CB 0.690 30.465 29.762 0.022 0.000 1.426 1022 H HN 0.367 nan 8.280 nan 0.000 0.470 1023 L N 5.189 126.316 121.223 -0.161 0.000 2.289 1023 L HA 0.126 4.466 4.340 -0.001 0.000 0.285 1023 L C -0.006 176.709 176.870 -0.258 0.000 1.049 1023 L CA -0.993 53.760 54.840 -0.144 0.000 0.804 1023 L CB 1.236 43.281 42.059 -0.023 0.000 1.195 1023 L HN 0.686 nan 8.230 nan 0.000 0.428 1024 D N 2.622 122.915 120.400 -0.180 0.000 2.455 1024 D HA 0.172 4.812 4.640 -0.001 0.000 0.241 1024 D C 1.206 177.452 176.300 -0.090 0.000 1.138 1024 D CA 1.001 54.913 54.000 -0.147 0.000 0.877 1024 D CB 1.097 41.846 40.800 -0.084 0.000 1.187 1024 D HN 0.828 nan 8.370 nan 0.000 0.451 1025 G N 2.493 111.250 108.800 -0.071 0.000 2.168 1025 G HA2 -0.410 3.550 3.960 -0.001 0.000 0.263 1025 G HA3 -0.410 3.550 3.960 -0.001 0.000 0.263 1025 G C 0.763 175.690 174.900 0.045 0.000 0.977 1025 G CA 0.398 45.491 45.100 -0.011 0.000 0.659 1025 G HN 0.623 nan 8.290 nan 0.000 0.533 1026 M N -2.532 117.062 119.600 -0.011 0.000 2.576 1026 M HA -0.190 4.290 4.480 -0.001 0.000 0.200 1026 M C 0.091 176.432 176.300 0.068 0.000 0.487 1026 M CA 0.916 56.213 55.300 -0.005 0.000 0.553 1026 M CB -1.870 30.709 32.600 -0.034 0.000 2.042 1026 M HN 0.234 nan 8.290 nan 0.000 0.758 1027 V N 0.783 120.716 119.914 0.032 0.000 2.398 1027 V HA 0.703 4.823 4.120 -0.001 0.000 0.286 1027 V C 0.623 176.641 176.094 -0.126 0.000 1.026 1027 V CA -0.305 61.998 62.300 0.005 0.000 0.868 1027 V CB 1.781 33.590 31.823 -0.022 0.000 0.982 1027 V HN 0.378 nan 8.190 nan 0.000 0.443 1028 A N 8.134 130.795 122.820 -0.264 0.000 2.316 1028 A HA 0.728 5.048 4.320 -0.001 0.000 0.311 1028 A C -2.417 174.884 177.584 -0.472 0.000 1.339 1028 A CA -1.389 50.249 52.037 -0.666 0.000 0.960 1028 A CB -0.011 18.340 19.000 -1.082 0.000 1.152 1028 A HN 0.617 nan 8.150 nan 0.000 0.547 1029 P HA 0.226 nan 4.420 nan 0.000 0.274 1029 P C -0.129 177.161 177.300 -0.017 0.000 1.231 1029 P CA -0.256 62.793 63.100 -0.085 0.000 0.790 1029 P CB 0.622 32.331 31.700 0.016 0.000 0.951 1030 E N -0.186 120.017 120.200 0.005 0.000 2.392 1030 E HA 0.259 4.608 4.350 -0.001 0.000 0.256 1030 E C 0.076 176.726 176.600 0.083 0.000 1.145 1030 E CA -0.820 55.611 56.400 0.052 0.000 0.929 1030 E CB 0.370 30.081 29.700 0.019 0.000 0.998 1030 E HN 0.293 nan 8.360 nan 0.000 0.442 1031 V N -1.577 118.387 119.914 0.082 0.000 2.973 1031 V HA 0.355 4.474 4.120 -0.001 0.000 0.314 1031 V C 0.126 176.219 176.094 -0.000 0.000 1.066 1031 V CA -1.129 61.207 62.300 0.060 0.000 1.021 1031 V CB 1.257 33.122 31.823 0.069 0.000 1.076 1031 V HN 0.750 nan 8.190 nan 0.000 0.462 1032 c N 2.702 121.297 118.600 -0.009 0.000 2.580 1032 c HA 0.426 4.995 4.570 -0.001 0.000 0.371 1032 c C -2.070 171.962 174.090 -0.098 0.000 1.308 1032 c CA -0.318 55.988 56.329 -0.039 0.000 2.428 1032 c CB -0.026 42.479 42.510 -0.009 0.000 2.529 1032 c HN 0.812 nan 8.230 nan 0.000 0.657 1033 P HA 0.032 nan 4.420 nan 0.000 0.262 1033 P C 0.270 177.415 177.300 -0.260 0.000 1.182 1033 P CA 0.991 63.952 63.100 -0.231 0.000 0.761 1033 P CB 0.170 31.716 31.700 -0.257 0.000 0.795 1034 M N -1.089 118.305 119.600 -0.344 0.000 2.939 1034 M HA -0.182 4.298 4.480 -0.001 0.000 0.194 1034 M C -0.139 176.158 176.300 -0.004 0.000 0.617 1034 M CA 1.378 56.460 55.300 -0.363 0.000 0.734 1034 M CB -2.019 30.027 32.600 -0.924 0.000 2.637 1034 M HN 0.408 nan 8.290 nan 0.000 0.316 1035 E N 0.440 120.628 120.200 -0.020 0.000 2.227 1035 E HA 0.711 5.060 4.350 -0.001 0.000 0.268 1035 E C 0.074 176.731 176.600 0.096 0.000 0.990 1035 E CA -0.097 56.370 56.400 0.110 0.000 0.856 1035 E CB 1.406 31.136 29.700 0.051 0.000 1.159 1035 E HN 0.139 nan 8.360 nan 0.000 0.401 1036 T N 0.559 115.194 114.554 0.134 0.000 2.881 1036 T HA 0.700 5.050 4.350 -0.001 0.000 0.290 1036 T C -0.785 173.926 174.700 0.017 0.000 1.000 1036 T CA -0.655 61.531 62.100 0.144 0.000 0.978 1036 T CB 1.556 70.526 68.868 0.170 0.000 0.997 1036 T HN 0.500 nan 8.240 nan 0.000 0.443 1037 A N 1.998 124.830 122.820 0.021 0.000 2.469 1037 A HA 1.008 5.328 4.320 -0.001 0.000 0.299 1037 A C -0.961 176.525 177.584 -0.164 0.000 1.098 1037 A CA -0.950 51.003 52.037 -0.141 0.000 0.737 1037 A CB 1.521 20.379 19.000 -0.236 0.000 1.312 1037 A HN 1.106 nan 8.150 nan 0.000 0.414 1038 A N 0.145 122.775 122.820 -0.317 0.000 2.365 1038 A HA 0.826 5.145 4.320 -0.001 0.000 0.318 1038 A C -1.611 175.788 177.584 -0.308 0.000 1.091 1038 A CA -0.357 51.611 52.037 -0.115 0.000 0.763 1038 A CB 0.801 19.765 19.000 -0.059 0.000 1.248 1038 A HN 0.850 nan 8.150 nan 0.000 0.442 1039 Y N -0.048 120.469 120.300 0.361 0.000 2.512 1039 Y HA 0.584 5.134 4.550 -0.001 0.000 0.348 1039 Y C -0.265 175.814 175.900 0.298 0.000 0.990 1039 Y CA -0.907 57.361 58.100 0.280 0.000 1.033 1039 Y CB 2.496 41.082 38.460 0.210 0.000 1.259 1039 Y HN 0.419 nan 8.280 nan 0.000 0.461 1040 V N 2.313 122.433 119.914 0.344 0.000 2.531 1040 V HA 0.501 4.621 4.120 -0.001 0.000 0.301 1040 V C -0.655 175.528 176.094 0.148 0.000 1.034 1040 V CA -0.945 61.449 62.300 0.157 0.000 0.865 1040 V CB 1.755 33.607 31.823 0.048 0.000 0.995 1040 V HN 0.834 nan 8.190 nan 0.000 0.424 1041 S N 3.422 119.215 115.700 0.155 0.000 2.541 1041 S HA 0.745 5.215 4.470 -0.001 0.000 0.283 1041 S C -0.238 174.305 174.600 -0.094 0.000 1.196 1041 S CA -0.604 57.612 58.200 0.026 0.000 1.062 1041 S CB 1.636 64.924 63.200 0.147 0.000 1.009 1041 S HN 0.567 nan 8.310 nan 0.000 0.502 1042 S N 2.115 117.628 115.700 -0.312 0.000 2.503 1042 S HA 0.550 5.019 4.470 -0.001 0.000 0.301 1042 S C -0.972 173.308 174.600 -0.534 0.000 1.087 1042 S CA -0.777 57.276 58.200 -0.245 0.000 1.042 1042 S CB 0.610 63.739 63.200 -0.118 0.000 1.043 1042 S HN 0.787 nan 8.310 nan 0.000 0.489 1043 H N 0.792 119.850 119.070 -0.019 0.000 2.679 1043 H HA 0.279 4.835 4.556 -0.001 0.000 0.360 1043 H C 0.179 175.501 175.328 -0.010 0.000 1.105 1043 H CA -0.555 55.483 56.048 -0.016 0.000 1.196 1043 H CB 1.876 31.631 29.762 -0.012 0.000 1.636 1043 H HN 0.663 nan 8.280 nan 0.000 0.531 1044 S N 0.899 116.647 115.700 0.079 0.000 2.548 1044 S HA 0.202 4.672 4.470 -0.001 0.000 0.215 1044 S C 0.586 175.219 174.600 0.055 0.000 0.976 1044 S CA -0.128 58.100 58.200 0.047 0.000 0.908 1044 S CB 0.485 63.700 63.200 0.025 0.000 0.781 1044 S HN 0.387 nan 8.310 nan 0.000 0.519 1045 S N 0.000 115.747 115.700 0.078 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.232 58.200 0.054 0.000 1.107 1045 S CB 0.000 63.226 63.200 0.044 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517