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 3buq_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 0.000 176.008 176.000 0.014 0.000 1.003 30 Q CA 0.000 55.809 55.803 0.009 0.000 1.022 30 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 31 c N 3.047 121.650 118.600 0.006 0.000 2.637 31 c HA 0.167 4.737 4.570 -0.001 0.000 0.418 31 c C 0.775 174.876 174.090 0.018 0.000 1.319 31 c CA -0.262 56.073 56.329 0.009 0.000 1.949 31 c CB 0.251 42.752 42.510 -0.014 0.000 2.639 31 c HN 0.658 nan 8.230 nan 0.000 0.594 32 Q N 1.782 121.609 119.800 0.045 0.000 2.361 32 Q HA 0.047 4.387 4.340 -0.001 0.000 0.276 32 Q C 0.078 176.106 176.000 0.046 0.000 1.022 32 Q CA 0.420 56.264 55.803 0.069 0.000 0.898 32 Q CB 0.523 29.340 28.738 0.132 0.000 1.246 32 Q HN 0.650 nan 8.270 nan 0.000 0.410 33 D N 1.750 122.176 120.400 0.044 0.000 2.317 33 D HA 0.057 4.697 4.640 -0.001 0.000 0.252 33 D C 0.490 176.822 176.300 0.053 0.000 1.174 33 D CA -0.215 53.790 54.000 0.008 0.000 0.866 33 D CB 1.314 42.118 40.800 0.006 0.000 1.127 33 D HN 0.380 nan 8.370 nan 0.000 0.467 34 V N 2.121 122.012 119.914 -0.039 0.000 3.647 34 V HA 0.081 4.201 4.120 -0.001 0.000 0.279 34 V C 1.180 177.274 176.094 -0.000 0.000 1.314 34 V CA 0.093 62.414 62.300 0.035 0.000 1.125 34 V CB 0.199 31.868 31.823 -0.257 0.000 0.907 34 V HN 0.398 nan 8.190 nan 0.000 0.434 35 V N 0.048 119.887 119.914 -0.125 0.000 2.806 35 V HA 0.077 4.197 4.120 -0.001 0.000 0.239 35 V C 2.347 178.399 176.094 -0.070 0.000 1.113 35 V CA 1.324 63.503 62.300 -0.201 0.000 1.137 35 V CB -0.066 31.596 31.823 -0.270 0.000 0.865 35 V HN 0.469 nan 8.190 nan 0.000 0.482 36 Q N -0.222 119.592 119.800 0.022 0.000 2.396 36 Q HA 0.113 4.452 4.340 -0.001 0.000 0.209 36 Q C -0.449 175.628 176.000 0.127 0.000 0.906 36 Q CA 0.368 56.207 55.803 0.059 0.000 0.927 36 Q CB 0.535 29.283 28.738 0.018 0.000 1.069 36 Q HN 0.522 nan 8.270 nan 0.000 0.523 37 D N 1.062 121.569 120.400 0.179 0.000 2.344 37 D HA 0.198 4.838 4.640 -0.001 0.000 0.239 37 D C -0.742 175.679 176.300 0.202 0.000 1.064 37 D CA -0.316 53.779 54.000 0.158 0.000 0.829 37 D CB 2.392 43.262 40.800 0.117 0.000 1.129 37 D HN -0.189 nan 8.370 nan 0.000 0.506 38 V N 4.391 124.382 119.914 0.129 0.000 2.427 38 V HA 0.171 4.291 4.120 -0.001 0.000 0.268 38 V C -1.969 174.108 176.094 -0.027 0.000 1.046 38 V CA -1.396 60.906 62.300 0.003 0.000 0.970 38 V CB 0.672 32.501 31.823 0.009 0.000 1.001 38 V HN 0.310 nan 8.190 nan 0.000 0.476 39 P HA 0.013 nan 4.420 nan 0.000 0.264 39 P C -0.357 176.916 177.300 -0.044 0.000 1.183 39 P CA 0.081 63.154 63.100 -0.045 0.000 0.763 39 P CB 0.278 31.932 31.700 -0.076 0.000 0.807 40 N N 3.383 122.072 118.700 -0.018 0.000 2.437 40 N HA 0.292 5.032 4.740 -0.001 0.000 0.243 40 N C -0.939 174.563 175.510 -0.013 0.000 1.041 40 N CA -0.430 52.611 53.050 -0.014 0.000 0.940 40 N CB 0.029 38.516 38.487 -0.000 0.000 1.133 40 N HN 0.102 nan 8.380 nan 0.000 0.506 41 V N 0.477 120.375 119.914 -0.026 0.000 2.960 41 V HA 0.530 4.649 4.120 -0.001 0.000 0.315 41 V C 0.618 176.698 176.094 -0.023 0.000 1.087 41 V CA -0.731 61.556 62.300 -0.021 0.000 0.982 41 V CB 2.006 33.806 31.823 -0.039 0.000 1.039 41 V HN 0.406 nan 8.190 nan 0.000 0.437 42 D N 0.924 121.317 120.400 -0.011 0.000 2.144 42 D HA 0.026 4.666 4.640 -0.001 0.000 0.200 42 D C 0.465 176.736 176.300 -0.048 0.000 0.978 42 D CA 1.564 55.554 54.000 -0.015 0.000 0.833 42 D CB 0.506 41.313 40.800 0.012 0.000 0.961 42 D HN 0.428 nan 8.370 nan 0.000 0.470 43 V N 1.368 121.232 119.914 -0.084 0.000 2.525 43 V HA 0.227 4.346 4.120 -0.001 0.000 0.299 43 V C -0.410 175.591 176.094 -0.155 0.000 1.034 43 V CA -0.775 61.446 62.300 -0.132 0.000 0.863 43 V CB 2.498 34.197 31.823 -0.206 0.000 0.999 43 V HN -0.100 nan 8.190 nan 0.000 0.423 44 Q N 4.423 124.143 119.800 -0.134 0.000 2.327 44 Q HA 0.453 4.793 4.340 -0.001 0.000 0.270 44 Q C 0.361 176.268 176.000 -0.155 0.000 1.022 44 Q CA -0.695 55.022 55.803 -0.144 0.000 0.773 44 Q CB 1.922 30.596 28.738 -0.107 0.000 1.251 44 Q HN 0.679 nan 8.270 nan 0.000 0.457 45 M N 2.958 122.420 119.600 -0.229 0.000 2.159 45 M HA -0.159 4.320 4.480 -0.001 0.000 0.263 45 M C 1.620 177.826 176.300 -0.157 0.000 1.063 45 M CA 1.012 56.163 55.300 -0.248 0.000 1.110 45 M CB -0.825 31.495 32.600 -0.467 0.000 1.374 45 M HN 0.590 nan 8.290 nan 0.000 0.411 46 L N 0.712 121.832 121.223 -0.172 0.000 2.046 46 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 46 L C 2.492 179.357 176.870 -0.008 0.000 1.077 46 L CA 1.881 56.651 54.840 -0.116 0.000 0.747 46 L CB -0.705 41.262 42.059 -0.155 0.000 0.896 46 L HN 0.283 nan 8.230 nan 0.000 0.432 47 E N -0.432 119.750 120.200 -0.030 0.000 2.077 47 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 47 E C 2.212 178.828 176.600 0.027 0.000 0.989 47 E CA 1.492 57.889 56.400 -0.006 0.000 0.800 47 E CB -0.321 29.360 29.700 -0.031 0.000 0.746 47 E HN 0.432 nan 8.360 nan 0.000 0.452 48 L N 0.491 121.731 121.223 0.028 0.000 2.012 48 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 48 L C 2.279 179.226 176.870 0.128 0.000 1.073 48 L CA 1.708 56.574 54.840 0.043 0.000 0.748 48 L CB -1.039 41.033 42.059 0.021 0.000 0.891 48 L HN 0.134 nan 8.230 nan 0.000 0.431 49 Y N -0.016 120.297 120.300 0.021 0.000 2.207 49 Y HA -0.265 4.284 4.550 -0.001 0.000 0.287 49 Y C 2.566 178.569 175.900 0.172 0.000 1.156 49 Y CA 1.868 60.068 58.100 0.167 0.000 1.182 49 Y CB -0.610 37.933 38.460 0.139 0.000 0.979 49 Y HN 0.375 nan 8.280 nan 0.000 0.521 50 D N -0.632 119.885 120.400 0.195 0.000 2.144 50 D HA -0.115 4.524 4.640 -0.001 0.000 0.200 50 D C 1.945 178.288 176.300 0.072 0.000 0.978 50 D CA 1.243 55.308 54.000 0.108 0.000 0.833 50 D CB 0.085 40.923 40.800 0.064 0.000 0.961 50 D HN 0.308 nan 8.370 nan 0.000 0.470 51 R N -0.931 119.597 120.500 0.047 0.000 2.140 51 R HA 0.202 4.542 4.340 -0.001 0.000 0.213 51 R C 0.946 177.236 176.300 -0.018 0.000 1.059 51 R CA 0.067 56.172 56.100 0.007 0.000 1.000 51 R CB -0.070 30.220 30.300 -0.017 0.000 0.910 51 R HN 0.196 nan 8.270 nan 0.000 0.455 52 M N 0.634 120.199 119.600 -0.058 0.000 2.245 52 M HA -0.001 4.479 4.480 -0.001 0.000 0.330 52 M C 1.015 177.271 176.300 -0.073 0.000 1.098 52 M CA 0.359 55.536 55.300 -0.205 0.000 1.172 52 M CB 1.334 33.574 32.600 -0.600 0.000 1.467 52 M HN -0.020 nan 8.290 nan 0.000 0.454 53 S N 0.789 116.420 115.700 -0.116 0.000 2.470 53 S HA 0.136 4.605 4.470 -0.001 0.000 0.222 53 S C 0.271 174.988 174.600 0.194 0.000 1.024 53 S CA 0.086 58.313 58.200 0.045 0.000 0.931 53 S CB -0.038 63.162 63.200 0.000 0.000 0.791 53 S HN 0.724 nan 8.310 nan 0.000 0.513 54 F N 0.623 120.504 119.950 -0.116 0.000 2.953 54 F HA -0.180 4.347 4.527 -0.000 0.000 0.292 54 F C 0.135 175.952 175.800 0.028 0.000 0.747 54 F CA 0.194 58.133 58.000 -0.101 0.000 1.222 54 F CB -1.478 37.438 39.000 -0.141 0.000 1.457 54 F HN -0.012 nan 8.300 nan 0.000 0.383 55 K N 1.345 121.828 120.400 0.138 0.000 2.412 55 K HA 0.128 4.448 4.320 -0.001 0.000 0.281 55 K C 0.252 176.960 176.600 0.180 0.000 1.027 55 K CA -0.022 56.348 56.287 0.138 0.000 0.989 55 K CB 0.493 33.036 32.500 0.071 0.000 0.935 55 K HN 0.072 nan 8.250 nan 0.000 0.475 56 D N 3.826 124.347 120.400 0.201 0.000 2.564 56 D HA 0.135 4.774 4.640 -0.001 0.000 0.226 56 D C -0.115 176.231 176.300 0.077 0.000 1.149 56 D CA -0.479 53.644 54.000 0.204 0.000 0.994 56 D CB -0.589 40.334 40.800 0.205 0.000 1.029 56 D HN 0.459 nan 8.370 nan 0.000 0.517 57 I N -1.460 119.143 120.570 0.056 0.000 2.566 57 I HA 0.448 4.618 4.170 -0.001 0.000 0.303 57 I C 0.229 176.339 176.117 -0.011 0.000 0.983 57 I CA -0.964 60.347 61.300 0.018 0.000 1.235 57 I CB 1.315 39.324 38.000 0.015 0.000 1.386 57 I HN -0.109 nan 8.210 nan 0.000 0.494 58 D N 4.151 124.543 120.400 -0.013 0.000 2.346 58 D HA 0.146 4.786 4.640 -0.001 0.000 0.260 58 D C 0.963 177.254 176.300 -0.014 0.000 1.252 58 D CA 0.170 54.157 54.000 -0.020 0.000 0.895 58 D CB 1.570 42.364 40.800 -0.009 0.000 1.097 58 D HN 0.851 nan 8.370 nan 0.000 0.489 59 G N 2.349 111.126 108.800 -0.038 0.000 3.042 59 G HA2 0.418 4.377 3.960 -0.001 0.000 0.212 59 G HA3 0.418 4.377 3.960 -0.001 0.000 0.212 59 G C 0.872 175.783 174.900 0.018 0.000 1.166 59 G CA 0.435 45.516 45.100 -0.032 0.000 0.767 59 G HN 0.893 nan 8.290 nan 0.000 0.546 60 G N -0.605 108.209 108.800 0.024 0.000 2.418 60 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.206 60 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.206 60 G C 1.177 176.107 174.900 0.050 0.000 1.202 60 G CA 0.632 45.758 45.100 0.042 0.000 1.061 60 G HN 1.113 nan 8.290 nan 0.000 0.563 61 V N -3.439 116.502 119.914 0.045 0.000 2.380 61 V HA 0.019 4.138 4.120 -0.001 0.000 0.251 61 V C 1.477 177.612 176.094 0.069 0.000 1.063 61 V CA 2.491 64.802 62.300 0.017 0.000 1.055 61 V CB -0.609 31.186 31.823 -0.046 0.000 0.657 61 V HN 1.494 nan 8.190 nan 0.000 0.455 62 W N 2.604 123.834 121.300 -0.117 0.000 2.365 62 W HA 0.435 5.094 4.660 -0.001 0.000 0.371 62 W C 1.173 177.680 176.519 -0.020 0.000 1.006 62 W CA -1.771 55.514 57.345 -0.100 0.000 1.528 62 W CB 0.159 29.538 29.460 -0.136 0.000 1.497 62 W HN 0.050 nan 8.180 nan 0.000 0.367 63 K N 2.659 123.164 120.400 0.176 0.000 2.152 63 K HA -0.195 4.124 4.320 -0.001 0.000 0.206 63 K C 0.936 177.475 176.600 -0.103 0.000 1.048 63 K CA 1.577 57.874 56.287 0.016 0.000 0.933 63 K CB 0.065 32.566 32.500 0.002 0.000 0.721 63 K HN 0.579 nan 8.250 nan 0.000 0.447 64 Q N -0.893 118.810 119.800 -0.162 0.000 2.198 64 Q HA 0.169 4.508 4.340 -0.001 0.000 0.209 64 Q C 0.873 176.544 176.000 -0.549 0.000 0.848 64 Q CA -0.240 55.441 55.803 -0.204 0.000 0.974 64 Q CB 1.284 30.028 28.738 0.010 0.000 1.115 64 Q HN 0.233 nan 8.270 nan 0.000 0.494 65 G N 0.645 108.702 108.800 -1.239 0.000 3.387 65 G HA2 0.514 4.474 3.960 -0.001 0.000 0.194 65 G HA3 0.514 4.474 3.960 -0.001 0.000 0.194 65 G C -1.314 173.308 174.900 -0.464 0.000 1.417 65 G CA -0.263 43.822 45.100 -1.692 0.000 0.777 65 G HN 0.357 nan 8.290 nan 0.000 0.721 66 W N -1.408 119.612 121.300 -0.466 0.000 2.959 66 W HA 0.598 5.258 4.660 -0.000 0.000 0.358 66 W C -1.475 175.132 176.519 0.148 0.000 1.228 66 W CA -1.166 56.126 57.345 -0.088 0.000 1.183 66 W CB 0.618 30.037 29.460 -0.068 0.000 1.467 66 W HN 0.187 nan 8.180 nan 0.000 0.578 67 N N 2.310 121.157 118.700 0.244 0.000 2.400 67 N HA 0.194 4.933 4.740 -0.001 0.000 0.267 67 N C -0.232 175.397 175.510 0.198 0.000 1.208 67 N CA 0.127 53.273 53.050 0.161 0.000 0.951 67 N CB 0.311 38.894 38.487 0.160 0.000 1.227 67 N HN 0.408 nan 8.380 nan 0.000 0.488 68 I N 2.042 122.624 120.570 0.019 0.000 2.588 68 I HA 0.008 4.178 4.170 -0.001 0.000 0.283 68 I C 0.768 177.035 176.117 0.250 0.000 1.119 68 I CA 0.303 61.681 61.300 0.131 0.000 1.419 68 I CB 0.490 38.511 38.000 0.035 0.000 1.394 68 I HN 0.131 nan 8.210 nan 0.000 0.562 69 K N 5.909 126.497 120.400 0.313 0.000 2.259 69 K HA 0.598 4.917 4.320 -0.001 0.000 0.249 69 K C -1.331 175.436 176.600 0.279 0.000 0.942 69 K CA -0.666 55.742 56.287 0.203 0.000 0.816 69 K CB 2.225 34.807 32.500 0.136 0.000 1.155 69 K HN 0.479 nan 8.250 nan 0.000 0.428 70 Y N -1.975 118.409 120.300 0.139 0.000 2.581 70 Y HA 0.469 5.019 4.550 -0.001 0.000 0.345 70 Y C -1.135 174.832 175.900 0.111 0.000 1.036 70 Y CA -1.562 56.620 58.100 0.138 0.000 1.042 70 Y CB 1.208 39.768 38.460 0.166 0.000 1.289 70 Y HN 0.406 nan 8.280 nan 0.000 0.471 71 D N 3.617 124.162 120.400 0.242 0.000 2.313 71 D HA 0.296 4.936 4.640 -0.001 0.000 0.239 71 D C -1.670 174.783 176.300 0.255 0.000 1.142 71 D CA -2.777 51.306 54.000 0.137 0.000 0.847 71 D CB 1.564 42.420 40.800 0.093 0.000 1.082 71 D HN 0.430 nan 8.370 nan 0.000 0.480 72 P HA -0.115 nan 4.420 nan 0.000 0.221 72 P C 1.287 178.722 177.300 0.225 0.000 1.145 72 P CA 0.722 64.000 63.100 0.297 0.000 0.795 72 P CB 0.368 32.177 31.700 0.182 0.000 0.775 73 L N -0.815 120.489 121.223 0.135 0.000 2.591 73 L HA 0.107 4.447 4.340 -0.001 0.000 0.228 73 L C 2.623 179.515 176.870 0.036 0.000 1.133 73 L CA 0.290 55.181 54.840 0.084 0.000 0.880 73 L CB -0.535 41.554 42.059 0.052 0.000 1.033 73 L HN -0.029 nan 8.230 nan 0.000 0.450 74 K N 0.555 120.959 120.400 0.007 0.000 2.057 74 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 74 K C -0.054 176.383 176.600 -0.271 0.000 1.049 74 K CA 1.209 57.381 56.287 -0.192 0.000 0.931 74 K CB 0.067 32.384 32.500 -0.304 0.000 0.714 74 K HN 0.049 nan 8.250 nan 0.000 0.440 75 Y N 0.901 121.297 120.300 0.160 0.000 2.334 75 Y HA 0.231 4.781 4.550 0.000 0.000 0.328 75 Y C 0.081 176.010 175.900 0.048 0.000 1.130 75 Y CA -0.901 57.274 58.100 0.125 0.000 1.163 75 Y CB 1.277 39.769 38.460 0.054 0.000 1.207 75 Y HN 0.310 nan 8.280 nan 0.000 0.471 76 N N -0.621 118.151 118.700 0.119 0.000 3.243 76 N HA 0.535 5.275 4.740 -0.001 0.000 0.280 76 N C 0.043 175.524 175.510 -0.049 0.000 1.545 76 N CA -0.429 52.615 53.050 -0.009 0.000 0.854 76 N CB 0.385 38.800 38.487 -0.121 0.000 1.612 76 N HN 0.449 nan 8.380 nan 0.000 0.577 77 A N -0.876 121.921 122.820 -0.039 0.000 1.978 77 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 77 A C 1.381 178.994 177.584 0.048 0.000 1.170 77 A CA 1.839 53.886 52.037 0.017 0.000 0.636 77 A CB -1.360 17.675 19.000 0.058 0.000 0.810 77 A HN 0.819 nan 8.150 nan 0.000 0.448 78 H N -3.239 115.888 119.070 0.095 0.000 2.586 78 H HA 0.222 4.777 4.556 -0.001 0.000 0.273 78 H C -0.185 175.245 175.328 0.170 0.000 0.997 78 H CA 0.612 56.719 56.048 0.098 0.000 1.177 78 H CB -0.183 29.625 29.762 0.077 0.000 1.471 78 H HN 0.626 nan 8.280 nan 0.000 0.538 79 H N 0.631 119.616 119.070 -0.141 0.000 2.596 79 H HA 0.345 4.901 4.556 -0.000 0.000 0.240 79 H C -1.040 174.362 175.328 0.122 0.000 1.406 79 H CA -0.534 55.517 56.048 0.003 0.000 1.504 79 H CB 0.391 30.122 29.762 -0.051 0.000 1.688 79 H HN 0.076 nan 8.280 nan 0.000 0.546 80 K N 2.095 122.431 120.400 -0.106 0.000 2.118 80 K HA 0.255 4.575 4.320 -0.001 0.000 0.264 80 K C -0.577 175.835 176.600 -0.313 0.000 1.000 80 K CA -1.180 55.032 56.287 -0.125 0.000 0.929 80 K CB 1.530 33.957 32.500 -0.123 0.000 1.021 80 K HN 0.255 nan 8.250 nan 0.000 0.463 81 L N 2.903 123.791 121.223 -0.559 0.000 2.385 81 L HA 0.117 4.456 4.340 -0.001 0.000 0.281 81 L C -0.482 176.098 176.870 -0.482 0.000 1.106 81 L CA 0.069 54.448 54.840 -0.768 0.000 0.856 81 L CB -0.031 41.364 42.059 -1.107 0.000 1.186 81 L HN 0.334 nan 8.230 nan 0.000 0.453 82 K N 4.139 124.290 120.400 -0.415 0.000 2.248 82 K HA 0.504 4.824 4.320 -0.001 0.000 0.281 82 K C -1.419 174.822 176.600 -0.599 0.000 1.054 82 K CA -0.338 55.666 56.287 -0.472 0.000 0.903 82 K CB 0.918 33.198 32.500 -0.366 0.000 1.077 82 K HN 0.417 nan 8.250 nan 0.000 0.474 83 V N 6.084 125.519 119.914 -0.800 0.000 2.384 83 V HA 0.450 4.570 4.120 -0.001 0.000 0.287 83 V C -0.904 174.606 176.094 -0.974 0.000 1.020 83 V CA -0.709 61.067 62.300 -0.874 0.000 0.850 83 V CB 0.751 31.858 31.823 -1.194 0.000 0.987 83 V HN 0.582 nan 8.190 nan 0.000 0.436 84 F N 3.781 123.475 119.950 -0.426 0.000 2.361 84 F HA 0.474 5.001 4.527 -0.001 0.000 0.364 84 F C 0.228 175.854 175.800 -0.290 0.000 1.117 84 F CA -0.706 57.104 58.000 -0.317 0.000 1.071 84 F CB 1.638 40.524 39.000 -0.190 0.000 1.188 84 F HN 0.189 nan 8.300 nan 0.000 0.464 85 V N 5.068 124.948 119.914 -0.057 0.000 2.408 85 V HA 0.254 4.373 4.120 -0.001 0.000 0.267 85 V C -0.117 176.090 176.094 0.187 0.000 1.047 85 V CA -0.581 61.763 62.300 0.073 0.000 0.937 85 V CB 1.091 33.035 31.823 0.202 0.000 0.999 85 V HN 0.422 nan 8.190 nan 0.000 0.472 86 V N 8.384 128.355 119.914 0.094 0.000 2.293 86 V HA 0.312 4.432 4.120 -0.001 0.000 0.275 86 V C -2.342 173.792 176.094 0.068 0.000 1.021 86 V CA -1.943 60.377 62.300 0.034 0.000 0.815 86 V CB 1.351 33.104 31.823 -0.116 0.000 1.025 86 V HN 0.721 nan 8.190 nan 0.000 0.448 87 P HA 0.355 nan 4.420 nan 0.000 0.271 87 P C -0.833 176.450 177.300 -0.028 0.000 1.216 87 P CA 0.245 63.306 63.100 -0.065 0.000 0.776 87 P CB 0.387 31.854 31.700 -0.388 0.000 0.881 88 H N -1.220 117.829 119.070 -0.035 0.000 2.981 88 H HA 0.789 5.344 4.556 -0.001 0.000 0.327 88 H C -1.542 173.898 175.328 0.188 0.000 1.342 88 H CA -1.104 54.837 56.048 -0.178 0.000 1.123 88 H CB 0.870 30.457 29.762 -0.292 0.000 1.851 88 H HN 0.231 nan 8.280 nan 0.000 0.531 89 S N 0.579 116.327 115.700 0.079 0.000 2.720 89 S HA 0.223 4.693 4.470 -0.001 0.000 0.278 89 S C -1.885 172.669 174.600 -0.077 0.000 1.172 89 S CA -0.686 57.597 58.200 0.138 0.000 1.019 89 S CB 0.349 63.807 63.200 0.431 0.000 1.049 89 S HN 0.869 nan 8.310 nan 0.000 0.483 90 H N 4.467 123.452 119.070 -0.141 0.000 2.782 90 H HA 0.441 4.996 4.556 -0.000 0.000 0.285 90 H C -0.155 174.775 175.328 -0.663 0.000 1.093 90 H CA 0.158 56.029 56.048 -0.295 0.000 1.410 90 H CB 0.195 29.832 29.762 -0.207 0.000 1.439 90 H HN 0.570 nan 8.280 nan 0.000 0.469 91 N N 5.516 123.557 118.700 -1.099 0.000 2.476 91 N HA 0.067 4.806 4.740 -0.001 0.000 0.257 91 N C -1.130 173.907 175.510 -0.790 0.000 0.970 91 N CA -0.640 51.646 53.050 -1.272 0.000 0.938 91 N CB 1.170 39.200 38.487 -0.762 0.000 1.144 91 N HN 0.657 nan 8.380 nan 0.000 0.500 92 D N 2.803 122.801 120.400 -0.670 0.000 2.348 92 D HA 0.115 4.755 4.640 -0.001 0.000 0.253 92 D C -2.086 174.313 176.300 0.166 0.000 1.161 92 D CA -0.934 52.957 54.000 -0.181 0.000 0.876 92 D CB 1.471 42.431 40.800 0.266 0.000 1.160 92 D HN 0.193 nan 8.370 nan 0.000 0.459 93 P HA 0.198 nan 4.420 nan 0.000 0.226 93 P C -0.046 177.459 177.300 0.342 0.000 1.783 93 P CA 0.001 63.124 63.100 0.038 0.000 0.980 93 P CB 0.199 31.782 31.700 -0.196 0.000 1.967 94 G N 0.356 109.536 108.800 0.633 0.000 3.067 94 G HA2 0.004 3.964 3.960 -0.001 0.000 0.686 94 G HA3 0.004 3.964 3.960 -0.001 0.000 0.686 94 G C -1.048 174.389 174.900 0.896 0.000 1.119 94 G CA -0.656 44.831 45.100 0.645 0.000 0.790 94 G HN 0.349 nan 8.290 nan 0.000 0.605 95 W N 2.623 124.276 121.300 0.588 0.000 4.518 95 W HA 0.300 4.960 4.660 -0.000 0.000 0.160 95 W C 1.017 177.728 176.519 0.319 0.000 3.470 95 W CA 0.997 58.650 57.345 0.514 0.000 1.183 95 W CB -0.745 29.104 29.460 0.647 0.000 2.083 95 W HN 0.488 nan 8.180 nan 0.000 0.403 96 I N 1.813 122.425 120.570 0.071 0.000 2.703 96 I HA 0.121 4.291 4.170 -0.001 0.000 0.259 96 I C 0.536 176.560 176.117 -0.156 0.000 1.151 96 I CA 1.141 62.309 61.300 -0.220 0.000 1.470 96 I CB -1.196 36.634 38.000 -0.284 0.000 1.112 96 I HN 0.086 nan 8.210 nan 0.000 0.437 97 Q N -0.034 119.516 119.800 -0.417 0.000 2.416 97 Q HA 0.358 4.697 4.340 -0.001 0.000 0.279 97 Q C 0.186 175.967 176.000 -0.364 0.000 1.101 97 Q CA -0.635 54.880 55.803 -0.480 0.000 0.830 97 Q CB 1.993 30.183 28.738 -0.914 0.000 1.402 97 Q HN 0.264 nan 8.270 nan 0.000 0.445 98 T N -2.065 112.360 114.554 -0.215 0.000 2.802 98 T HA 0.055 4.405 4.350 -0.001 0.000 0.305 98 T C 0.821 175.607 174.700 0.144 0.000 1.053 98 T CA -0.379 61.666 62.100 -0.093 0.000 1.058 98 T CB 0.270 69.102 68.868 -0.061 0.000 0.988 98 T HN 0.570 nan 8.240 nan 0.000 0.539 99 F N 1.260 121.269 119.950 0.098 0.000 2.063 99 F HA -0.173 4.354 4.527 -0.001 0.000 0.298 99 F C 2.479 178.452 175.800 0.287 0.000 1.109 99 F CA 2.470 60.596 58.000 0.209 0.000 1.212 99 F CB -0.389 38.627 39.000 0.027 0.000 0.973 99 F HN 0.794 nan 8.300 nan 0.000 0.480 100 E N 0.332 120.744 120.200 0.354 0.000 2.106 100 E HA -0.179 4.171 4.350 -0.001 0.000 0.192 100 E C 2.003 178.651 176.600 0.080 0.000 0.984 100 E CA 1.736 58.283 56.400 0.245 0.000 0.806 100 E CB -0.270 29.568 29.700 0.231 0.000 0.750 100 E HN 0.623 nan 8.360 nan 0.000 0.458 101 E N -1.018 119.172 120.200 -0.018 0.000 2.051 101 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 101 E C 1.835 178.241 176.600 -0.324 0.000 0.991 101 E CA 1.176 57.412 56.400 -0.274 0.000 0.799 101 E CB -0.256 29.362 29.700 -0.137 0.000 0.748 101 E HN 0.332 nan 8.360 nan 0.000 0.449 102 Y N -0.407 119.850 120.300 -0.072 0.000 2.181 102 Y HA -0.260 4.289 4.550 -0.000 0.000 0.288 102 Y C 2.231 178.057 175.900 -0.124 0.000 1.146 102 Y CA 1.241 59.280 58.100 -0.103 0.000 1.164 102 Y CB -0.815 37.669 38.460 0.039 0.000 0.982 102 Y HN 0.185 nan 8.280 nan 0.000 0.515 103 Y N 0.885 121.196 120.300 0.017 0.000 2.128 103 Y HA -0.299 4.250 4.550 -0.001 0.000 0.284 103 Y C 2.312 178.165 175.900 -0.079 0.000 1.154 103 Y CA 1.978 60.040 58.100 -0.065 0.000 1.149 103 Y CB -0.391 38.037 38.460 -0.053 0.000 0.976 103 Y HN 0.064 nan 8.280 nan 0.000 0.505 104 Q N -0.556 119.132 119.800 -0.187 0.000 2.079 104 Q HA -0.181 4.159 4.340 -0.001 0.000 0.200 104 Q C 2.125 178.069 176.000 -0.092 0.000 0.974 104 Q CA 2.228 57.888 55.803 -0.238 0.000 0.840 104 Q CB -0.610 28.024 28.738 -0.174 0.000 0.898 104 Q HN 0.780 nan 8.270 nan 0.000 0.430 105 H N -0.817 118.265 119.070 0.019 0.000 2.497 105 H HA 0.049 4.604 4.556 -0.001 0.000 0.282 105 H C 0.883 176.315 175.328 0.172 0.000 1.003 105 H CA 0.598 56.702 56.048 0.093 0.000 1.307 105 H CB 0.671 30.451 29.762 0.030 0.000 1.437 105 H HN 0.195 nan 8.280 nan 0.000 0.544 106 D N -1.261 119.246 120.400 0.179 0.000 2.971 106 D HA 0.010 4.650 4.640 -0.001 0.000 0.221 106 D C 1.754 178.111 176.300 0.095 0.000 1.406 106 D CA 0.472 54.567 54.000 0.158 0.000 1.328 106 D CB -0.045 40.731 40.800 -0.040 0.000 1.369 106 D HN 0.031 nan 8.370 nan 0.000 0.364 107 T N 2.583 117.109 114.554 -0.048 0.000 2.746 107 T HA -0.146 4.204 4.350 -0.001 0.000 0.267 107 T C 1.940 176.496 174.700 -0.239 0.000 1.039 107 T CA 1.611 63.656 62.100 -0.092 0.000 1.142 107 T CB -0.091 68.565 68.868 -0.355 0.000 0.866 107 T HN 0.242 nan 8.240 nan 0.000 0.444 108 K N 0.880 120.940 120.400 -0.567 0.000 2.103 108 K HA -0.197 4.122 4.320 -0.001 0.000 0.207 108 K C 1.953 178.345 176.600 -0.347 0.000 1.048 108 K CA 1.620 57.566 56.287 -0.567 0.000 0.930 108 K CB -0.455 31.473 32.500 -0.954 0.000 0.716 108 K HN 0.427 nan 8.250 nan 0.000 0.444 109 H N 1.018 120.039 119.070 -0.083 0.000 2.363 109 H HA 0.034 4.590 4.556 -0.001 0.000 0.301 109 H C 2.374 177.728 175.328 0.043 0.000 1.074 109 H CA 1.450 57.505 56.048 0.011 0.000 1.354 109 H CB -0.281 29.507 29.762 0.044 0.000 1.397 109 H HN 0.188 nan 8.280 nan 0.000 0.516 110 I N 0.897 121.572 120.570 0.175 0.000 2.118 110 I HA -0.300 3.869 4.170 -0.001 0.000 0.241 110 I C 2.514 178.662 176.117 0.050 0.000 1.070 110 I CA 1.309 62.749 61.300 0.233 0.000 1.327 110 I CB -0.358 37.856 38.000 0.356 0.000 1.034 110 I HN 0.090 nan 8.210 nan 0.000 0.405 111 L N -0.520 120.522 121.223 -0.302 0.000 2.141 111 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 111 L C 2.705 179.217 176.870 -0.597 0.000 1.094 111 L CA 1.133 55.531 54.840 -0.736 0.000 0.763 111 L CB -0.472 40.603 42.059 -1.639 0.000 0.908 111 L HN 0.253 nan 8.230 nan 0.000 0.437 112 S N 0.001 115.516 115.700 -0.308 0.000 2.368 112 S HA -0.147 4.322 4.470 -0.001 0.000 0.224 112 S C 1.845 176.439 174.600 -0.010 0.000 1.029 112 S CA 1.246 59.491 58.200 0.076 0.000 0.988 112 S CB -0.149 63.171 63.200 0.200 0.000 0.838 112 S HN 0.426 nan 8.310 nan 0.000 0.462 113 N N 1.380 120.075 118.700 -0.008 0.000 2.244 113 N HA 0.017 4.757 4.740 -0.001 0.000 0.183 113 N C 1.881 177.093 175.510 -0.496 0.000 1.016 113 N CA 1.147 54.147 53.050 -0.083 0.000 0.866 113 N CB -0.555 38.009 38.487 0.129 0.000 0.980 113 N HN 0.516 nan 8.380 nan 0.000 0.430 114 A N 1.321 123.894 122.820 -0.411 0.000 1.877 114 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 114 A C 2.222 179.553 177.584 -0.421 0.000 1.186 114 A CA 0.906 52.553 52.037 -0.649 0.000 0.620 114 A CB -0.747 18.118 19.000 -0.225 0.000 0.822 114 A HN 0.217 nan 8.150 nan 0.000 0.443 115 L N 0.245 121.353 121.223 -0.191 0.000 1.970 115 L HA -0.195 4.145 4.340 -0.001 0.000 0.212 115 L C 2.507 179.309 176.870 -0.114 0.000 1.071 115 L CA 2.687 57.487 54.840 -0.068 0.000 0.751 115 L CB -0.819 41.272 42.059 0.053 0.000 0.889 115 L HN 0.530 nan 8.230 nan 0.000 0.432 116 R N -1.652 118.749 120.500 -0.165 0.000 2.080 116 R HA -0.213 4.127 4.340 -0.001 0.000 0.236 116 R C 2.399 178.521 176.300 -0.297 0.000 1.137 116 R CA 1.950 57.929 56.100 -0.202 0.000 0.943 116 R CB -0.574 29.594 30.300 -0.219 0.000 0.846 116 R HN 0.582 nan 8.270 nan 0.000 0.431 117 H N 0.403 119.194 119.070 -0.465 0.000 2.357 117 H HA -0.075 4.481 4.556 -0.001 0.000 0.301 117 H C 2.267 177.379 175.328 -0.361 0.000 1.082 117 H CA 1.764 57.502 56.048 -0.515 0.000 1.342 117 H CB -0.008 29.145 29.762 -1.015 0.000 1.389 117 H HN 0.263 nan 8.280 nan 0.000 0.511 118 L N -0.147 120.907 121.223 -0.280 0.000 2.056 118 L HA -0.178 4.161 4.340 -0.001 0.000 0.207 118 L C 2.711 179.550 176.870 -0.052 0.000 1.078 118 L CA 1.050 55.811 54.840 -0.132 0.000 0.749 118 L CB -0.752 41.250 42.059 -0.095 0.000 0.901 118 L HN 0.398 nan 8.230 nan 0.000 0.433 119 H N 0.884 119.882 119.070 -0.120 0.000 2.319 119 H HA -0.222 4.334 4.556 -0.001 0.000 0.297 119 H C 1.405 176.686 175.328 -0.077 0.000 1.097 119 H CA 2.292 58.292 56.048 -0.079 0.000 1.285 119 H CB 0.206 29.921 29.762 -0.078 0.000 1.368 119 H HN 0.334 nan 8.280 nan 0.000 0.495 120 D N 0.294 120.617 120.400 -0.128 0.000 2.277 120 D HA -0.014 4.626 4.640 -0.001 0.000 0.208 120 D C 0.052 176.285 176.300 -0.110 0.000 0.962 120 D CA 0.556 54.466 54.000 -0.151 0.000 0.865 120 D CB 0.021 40.749 40.800 -0.120 0.000 0.939 120 D HN 0.309 nan 8.370 nan 0.000 0.510 121 N N 0.672 119.327 118.700 -0.076 0.000 2.746 121 N HA 0.160 4.900 4.740 -0.001 0.000 0.250 121 N C -2.197 173.311 175.510 -0.003 0.000 1.146 121 N CA -1.091 51.953 53.050 -0.011 0.000 0.828 121 N CB 2.329 40.840 38.487 0.041 0.000 1.158 121 N HN -0.109 nan 8.380 nan 0.000 0.519 122 P HA -0.140 nan 4.420 nan 0.000 0.222 122 P C 1.400 178.728 177.300 0.047 0.000 1.147 122 P CA 1.028 64.127 63.100 -0.000 0.000 0.790 122 P CB 0.431 32.125 31.700 -0.010 0.000 0.780 123 E N -0.892 119.362 120.200 0.090 0.000 2.358 123 E HA -0.059 4.291 4.350 -0.001 0.000 0.195 123 E C 0.793 177.518 176.600 0.209 0.000 1.010 123 E CA 0.369 56.865 56.400 0.161 0.000 0.856 123 E CB -0.631 29.198 29.700 0.215 0.000 0.795 123 E HN 0.164 nan 8.360 nan 0.000 0.504 124 M N 2.005 121.672 119.600 0.111 0.000 2.243 124 M HA 0.186 4.665 4.480 -0.001 0.000 0.341 124 M C -0.502 175.797 176.300 -0.002 0.000 1.130 124 M CA -0.029 55.260 55.300 -0.019 0.000 1.162 124 M CB 0.736 33.307 32.600 -0.049 0.000 1.497 124 M HN -0.258 nan 8.290 nan 0.000 0.456 125 K N 3.328 123.698 120.400 -0.050 0.000 2.395 125 K HA 0.648 4.967 4.320 -0.001 0.000 0.247 125 K C -1.688 174.959 176.600 0.079 0.000 0.973 125 K CA -0.500 55.803 56.287 0.027 0.000 0.828 125 K CB 2.281 34.820 32.500 0.065 0.000 1.272 125 K HN 0.661 nan 8.250 nan 0.000 0.439 126 F N 1.659 121.528 119.950 -0.135 0.000 2.650 126 F HA 0.446 4.973 4.527 -0.001 0.000 0.310 126 F C -1.449 174.243 175.800 -0.182 0.000 1.112 126 F CA -1.330 56.575 58.000 -0.158 0.000 0.986 126 F CB 1.077 40.068 39.000 -0.016 0.000 1.285 126 F HN 0.460 nan 8.300 nan 0.000 0.440 127 I N 1.966 122.162 120.570 -0.623 0.000 2.562 127 I HA 0.571 4.740 4.170 -0.001 0.000 0.301 127 I C -1.760 173.914 176.117 -0.738 0.000 1.003 127 I CA -0.582 60.330 61.300 -0.648 0.000 1.127 127 I CB 2.410 39.984 38.000 -0.710 0.000 1.304 127 I HN 0.703 nan 8.210 nan 0.000 0.446 128 W N 5.240 126.144 121.300 -0.661 0.000 2.781 128 W HA 0.626 5.286 4.660 -0.001 0.000 0.333 128 W C -0.575 175.868 176.519 -0.126 0.000 1.047 128 W CA -0.572 56.526 57.345 -0.411 0.000 1.236 128 W CB 2.628 31.922 29.460 -0.277 0.000 1.394 128 W HN 0.815 nan 8.180 nan 0.000 0.466 129 A N 3.672 126.126 122.820 -0.611 0.000 1.942 129 A HA 0.116 4.436 4.320 -0.001 0.000 0.209 129 A C 0.061 177.567 177.584 -0.130 0.000 1.214 129 A CA 0.645 52.541 52.037 -0.234 0.000 0.686 129 A CB -0.021 18.910 19.000 -0.115 0.000 0.871 129 A HN 0.522 nan 8.150 nan 0.000 0.460 130 E N 0.886 120.882 120.200 -0.339 0.000 2.014 130 E HA 0.320 4.670 4.350 -0.001 0.000 0.275 130 E C 0.391 177.131 176.600 0.233 0.000 0.997 130 E CA -0.303 56.075 56.400 -0.036 0.000 0.804 130 E CB 0.795 30.466 29.700 -0.048 0.000 1.090 130 E HN 0.254 nan 8.360 nan 0.000 0.401 131 I N 1.503 122.119 120.570 0.077 0.000 2.676 131 I HA -0.195 3.975 4.170 -0.001 0.000 0.259 131 I C 1.934 177.722 176.117 -0.550 0.000 1.194 131 I CA 0.929 62.215 61.300 -0.024 0.000 1.473 131 I CB -1.379 36.657 38.000 0.061 0.000 1.096 131 I HN 0.412 nan 8.210 nan 0.000 0.443 132 S N 1.000 116.070 115.700 -1.050 0.000 2.359 132 S HA -0.256 4.213 4.470 -0.001 0.000 0.224 132 S C 2.146 176.430 174.600 -0.527 0.000 1.035 132 S CA 1.236 58.384 58.200 -1.754 0.000 1.018 132 S CB -0.999 61.183 63.200 -1.697 0.000 0.876 132 S HN 0.352 nan 8.310 nan 0.000 0.448 133 Y N 0.655 120.963 120.300 0.014 0.000 2.200 133 Y HA 0.123 4.673 4.550 -0.001 0.000 0.290 133 Y C 2.229 178.203 175.900 0.122 0.000 1.137 133 Y CA 0.351 58.558 58.100 0.179 0.000 1.163 133 Y CB -0.971 37.699 38.460 0.349 0.000 0.988 133 Y HN 0.325 nan 8.280 nan 0.000 0.518 134 F N 0.032 120.080 119.950 0.164 0.000 2.102 134 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 134 F C 2.374 178.033 175.800 -0.235 0.000 1.105 134 F CA 1.323 59.292 58.000 -0.051 0.000 1.239 134 F CB -0.565 38.389 39.000 -0.077 0.000 0.991 134 F HN -0.015 nan 8.300 nan 0.000 0.474 135 A N 0.272 122.756 122.820 -0.560 0.000 1.908 135 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 135 A C 2.173 179.615 177.584 -0.236 0.000 1.181 135 A CA 1.985 53.490 52.037 -0.886 0.000 0.627 135 A CB -0.837 17.486 19.000 -1.127 0.000 0.818 135 A HN 0.416 nan 8.150 nan 0.000 0.445 136 R N -1.143 119.260 120.500 -0.162 0.000 2.091 136 R HA -0.145 4.195 4.340 -0.001 0.000 0.238 136 R C 1.791 178.049 176.300 -0.070 0.000 1.136 136 R CA 2.074 58.096 56.100 -0.131 0.000 0.959 136 R CB -0.813 29.351 30.300 -0.226 0.000 0.856 136 R HN 0.495 nan 8.270 nan 0.000 0.437 137 F N -0.323 119.558 119.950 -0.115 0.000 2.084 137 F HA -0.134 4.393 4.527 -0.000 0.000 0.296 137 F C 1.959 177.717 175.800 -0.069 0.000 1.111 137 F CA 1.688 59.691 58.000 0.005 0.000 1.224 137 F CB -0.801 38.146 39.000 -0.088 0.000 0.991 137 F HN 0.112 nan 8.300 nan 0.000 0.471 138 Y N 0.207 120.376 120.300 -0.219 0.000 2.165 138 Y HA -0.311 4.239 4.550 -0.000 0.000 0.286 138 Y C 2.956 178.798 175.900 -0.097 0.000 1.155 138 Y CA 2.354 60.350 58.100 -0.173 0.000 1.164 138 Y CB -0.945 37.578 38.460 0.105 0.000 0.978 138 Y HN 0.289 nan 8.280 nan 0.000 0.513 139 H N -0.398 118.684 119.070 0.019 0.000 2.352 139 H HA -0.164 4.391 4.556 -0.001 0.000 0.299 139 H C 1.048 176.280 175.328 -0.160 0.000 1.097 139 H CA 1.899 57.919 56.048 -0.047 0.000 1.311 139 H CB -0.017 29.750 29.762 0.008 0.000 1.377 139 H HN 0.387 nan 8.280 nan 0.000 0.504 140 D N 0.587 120.857 120.400 -0.216 0.000 2.347 140 D HA 0.035 4.675 4.640 -0.001 0.000 0.215 140 D C 0.666 176.733 176.300 -0.388 0.000 0.976 140 D CA 0.105 53.936 54.000 -0.282 0.000 0.884 140 D CB 0.013 40.721 40.800 -0.154 0.000 0.915 140 D HN 0.297 nan 8.370 nan 0.000 0.526 141 L N 1.007 121.916 121.223 -0.524 0.000 2.453 141 L HA 0.184 4.523 4.340 -0.001 0.000 0.272 141 L C 1.425 178.070 176.870 -0.376 0.000 1.182 141 L CA -0.383 54.149 54.840 -0.514 0.000 0.858 141 L CB 0.621 42.312 42.059 -0.615 0.000 1.120 141 L HN -0.008 nan 8.230 nan 0.000 0.474 142 G N 1.528 110.164 108.800 -0.274 0.000 2.636 142 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.246 142 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.246 142 G C 0.709 175.492 174.900 -0.194 0.000 1.216 142 G CA -0.305 44.674 45.100 -0.201 0.000 0.854 142 G HN 0.811 nan 8.290 nan 0.000 0.572 143 E N 0.042 120.158 120.200 -0.140 0.000 2.118 143 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 143 E C 2.198 178.750 176.600 -0.079 0.000 0.992 143 E CA 1.522 57.859 56.400 -0.104 0.000 0.804 143 E CB -0.142 29.522 29.700 -0.060 0.000 0.741 143 E HN 0.590 nan 8.360 nan 0.000 0.458 144 N N 0.143 118.797 118.700 -0.076 0.000 2.084 144 N HA -0.189 4.551 4.740 -0.001 0.000 0.190 144 N C 1.442 176.910 175.510 -0.069 0.000 1.030 144 N CA 1.332 54.346 53.050 -0.061 0.000 0.849 144 N CB 0.019 38.468 38.487 -0.064 0.000 1.012 144 N HN 0.036 nan 8.380 nan 0.000 0.423 145 K N 1.302 121.641 120.400 -0.101 0.000 2.097 145 K HA -0.056 4.264 4.320 -0.001 0.000 0.205 145 K C 2.036 178.602 176.600 -0.057 0.000 1.050 145 K CA 0.725 56.955 56.287 -0.096 0.000 0.938 145 K CB -0.254 32.165 32.500 -0.134 0.000 0.718 145 K HN 0.325 nan 8.250 nan 0.000 0.442 146 K N 0.828 121.152 120.400 -0.127 0.000 2.063 146 K HA -0.086 4.233 4.320 -0.001 0.000 0.208 146 K C 2.267 178.952 176.600 0.141 0.000 1.048 146 K CA 1.147 57.381 56.287 -0.089 0.000 0.928 146 K CB -0.204 32.149 32.500 -0.245 0.000 0.713 146 K HN 0.070 nan 8.250 nan 0.000 0.442 147 L N 0.825 122.094 121.223 0.077 0.000 2.056 147 L HA -0.204 4.136 4.340 -0.001 0.000 0.207 147 L C 2.553 179.490 176.870 0.113 0.000 1.078 147 L CA 1.252 56.153 54.840 0.102 0.000 0.749 147 L CB -0.452 41.642 42.059 0.057 0.000 0.901 147 L HN 0.275 nan 8.230 nan 0.000 0.433 148 Q N -0.720 119.125 119.800 0.074 0.000 2.084 148 Q HA -0.269 4.071 4.340 -0.001 0.000 0.202 148 Q C 2.210 178.303 176.000 0.154 0.000 0.978 148 Q CA 1.743 57.596 55.803 0.083 0.000 0.844 148 Q CB -0.166 28.550 28.738 -0.037 0.000 0.898 148 Q HN 0.346 nan 8.270 nan 0.000 0.426 149 M N 1.095 120.822 119.600 0.211 0.000 2.086 149 M HA -0.168 4.312 4.480 -0.001 0.000 0.261 149 M C 1.621 178.122 176.300 0.335 0.000 1.067 149 M CA 1.784 57.283 55.300 0.333 0.000 1.116 149 M CB 0.007 32.919 32.600 0.520 0.000 1.348 149 M HN -0.097 nan 8.290 nan 0.000 0.407 150 K N -1.014 119.582 120.400 0.326 0.000 2.103 150 K HA -0.154 4.166 4.320 -0.001 0.000 0.207 150 K C 2.284 178.992 176.600 0.180 0.000 1.048 150 K CA 1.643 58.086 56.287 0.260 0.000 0.930 150 K CB -0.444 32.193 32.500 0.229 0.000 0.716 150 K HN 0.443 nan 8.250 nan 0.000 0.444 151 S N 1.483 117.278 115.700 0.159 0.000 2.371 151 S HA -0.084 4.385 4.470 -0.001 0.000 0.224 151 S C 1.964 176.627 174.600 0.106 0.000 1.029 151 S CA 1.004 59.276 58.200 0.120 0.000 0.978 151 S CB -0.253 63.017 63.200 0.116 0.000 0.833 151 S HN 0.389 nan 8.310 nan 0.000 0.466 152 I N -0.736 119.907 120.570 0.121 0.000 2.830 152 I HA 0.055 4.224 4.170 -0.001 0.000 0.263 152 I C 1.860 178.015 176.117 0.062 0.000 1.230 152 I CA 0.665 62.017 61.300 0.086 0.000 1.480 152 I CB -0.350 37.701 38.000 0.085 0.000 1.095 152 I HN 0.112 nan 8.210 nan 0.000 0.455 153 V N 1.548 121.518 119.914 0.095 0.000 2.302 153 V HA -0.190 3.929 4.120 -0.001 0.000 0.243 153 V C 2.709 178.841 176.094 0.063 0.000 1.036 153 V CA 2.019 64.362 62.300 0.071 0.000 1.020 153 V CB -0.682 31.250 31.823 0.182 0.000 0.657 153 V HN 0.422 nan 8.190 nan 0.000 0.453 154 K N 1.479 121.927 120.400 0.081 0.000 2.074 154 K HA -0.247 4.073 4.320 -0.001 0.000 0.209 154 K C 1.731 178.353 176.600 0.036 0.000 1.048 154 K CA 2.026 58.348 56.287 0.058 0.000 0.926 154 K CB -0.253 32.285 32.500 0.063 0.000 0.713 154 K HN 0.670 nan 8.250 nan 0.000 0.444 155 N N -0.670 118.051 118.700 0.036 0.000 2.461 155 N HA 0.000 4.740 4.740 -0.001 0.000 0.188 155 N C 0.848 176.365 175.510 0.011 0.000 1.134 155 N CA 1.101 54.164 53.050 0.023 0.000 0.878 155 N CB 0.456 38.959 38.487 0.025 0.000 0.972 155 N HN 0.368 nan 8.380 nan 0.000 0.456 156 G N -0.338 108.463 108.800 0.003 0.000 2.175 156 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.244 156 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.244 156 G C 0.817 175.704 174.900 -0.021 0.000 0.982 156 G CA 0.440 45.530 45.100 -0.016 0.000 0.641 156 G HN 0.444 nan 8.290 nan 0.000 0.527 157 Q N -1.165 118.631 119.800 -0.007 0.000 2.049 157 Q HA 0.188 4.527 4.340 -0.001 0.000 0.198 157 Q C 1.259 177.250 176.000 -0.015 0.000 0.971 157 Q CA 1.221 57.025 55.803 0.002 0.000 0.833 157 Q CB 0.134 28.881 28.738 0.014 0.000 0.896 157 Q HN 0.631 nan 8.270 nan 0.000 0.434 158 L N 1.101 122.295 121.223 -0.049 0.000 2.272 158 L HA 0.300 4.640 4.340 -0.001 0.000 0.289 158 L C -0.944 175.733 176.870 -0.321 0.000 1.032 158 L CA -0.051 54.710 54.840 -0.132 0.000 0.810 158 L CB 1.466 43.460 42.059 -0.108 0.000 1.205 158 L HN -0.054 nan 8.230 nan 0.000 0.422 159 E N 4.430 124.398 120.200 -0.387 0.000 2.224 159 E HA 0.349 4.698 4.350 -0.001 0.000 0.265 159 E C -1.525 174.787 176.600 -0.479 0.000 0.878 159 E CA -0.747 55.427 56.400 -0.378 0.000 0.759 159 E CB 0.959 30.533 29.700 -0.210 0.000 1.164 159 E HN 0.523 nan 8.360 nan 0.000 0.414 160 F N 3.569 123.469 119.950 -0.082 0.000 2.438 160 F HA 0.182 4.708 4.527 -0.001 0.000 0.356 160 F C 0.383 176.153 175.800 -0.050 0.000 1.099 160 F CA -0.540 57.424 58.000 -0.060 0.000 1.185 160 F CB 1.052 40.029 39.000 -0.038 0.000 1.115 160 F HN 0.182 nan 8.300 nan 0.000 0.526 161 V N 0.413 120.379 119.914 0.087 0.000 2.483 161 V HA 0.620 4.740 4.120 -0.001 0.000 0.295 161 V C 0.437 176.660 176.094 0.214 0.000 1.035 161 V CA -0.467 61.889 62.300 0.094 0.000 0.896 161 V CB 0.935 32.710 31.823 -0.080 0.000 0.986 161 V HN 0.985 nan 8.190 nan 0.000 0.447 162 T N 3.226 117.983 114.554 0.338 0.000 12.763 162 T HA -0.330 4.020 4.350 -0.001 0.000 0.419 162 T C 1.706 176.631 174.700 0.375 0.000 1.443 162 T CA 3.054 65.399 62.100 0.408 0.000 2.376 162 T CB -1.702 67.303 68.868 0.227 0.000 2.832 162 T HN 2.791 nan 8.240 nan 0.000 0.739 163 G N 2.051 111.008 108.800 0.261 0.000 2.147 163 G HA2 0.102 4.062 3.960 -0.001 0.000 0.244 163 G HA3 0.102 4.062 3.960 -0.001 0.000 0.244 163 G C 0.299 175.333 174.900 0.225 0.000 1.005 163 G CA 0.565 45.797 45.100 0.219 0.000 0.713 163 G HN 1.544 nan 8.290 nan 0.000 0.515 164 G N -1.649 107.280 108.800 0.214 0.000 2.606 164 G HA2 0.342 4.301 3.960 -0.001 0.000 0.252 164 G HA3 0.342 4.301 3.960 -0.001 0.000 0.252 164 G C 1.019 176.081 174.900 0.271 0.000 1.206 164 G CA 0.192 45.428 45.100 0.225 0.000 0.861 164 G HN 0.360 nan 8.290 nan 0.000 0.561 165 W N 0.440 121.775 121.300 0.057 0.000 2.325 165 W HA -0.063 4.596 4.660 -0.001 0.000 0.299 165 W C 0.751 177.290 176.519 0.034 0.000 1.215 165 W CA 1.946 59.308 57.345 0.029 0.000 1.244 165 W CB 0.224 29.683 29.460 -0.001 0.000 1.140 165 W HN 0.411 nan 8.180 nan 0.000 0.523 166 V N -2.709 117.307 119.914 0.170 0.000 3.156 166 V HA 0.488 4.608 4.120 -0.001 0.000 0.310 166 V C -0.415 175.754 176.094 0.124 0.000 1.234 166 V CA -1.280 61.069 62.300 0.082 0.000 1.065 166 V CB 1.723 33.613 31.823 0.113 0.000 1.088 166 V HN -0.040 nan 8.190 nan 0.000 0.451 167 M N 4.094 123.793 119.600 0.166 0.000 2.289 167 M HA 0.498 4.977 4.480 -0.001 0.000 0.354 167 M C -2.643 173.804 176.300 0.245 0.000 1.210 167 M CA -1.858 53.560 55.300 0.195 0.000 1.174 167 M CB 1.224 33.957 32.600 0.222 0.000 1.297 167 M HN 0.648 nan 8.290 nan 0.000 0.423 168 P HA 0.100 nan 4.420 nan 0.000 0.274 168 P C -0.898 176.412 177.300 0.016 0.000 1.237 168 P CA -0.138 63.006 63.100 0.073 0.000 0.793 168 P CB 0.512 32.242 31.700 0.051 0.000 0.977 169 D N 0.737 121.105 120.400 -0.054 0.000 2.506 169 D HA -0.089 4.551 4.640 -0.001 0.000 0.234 169 D C 0.735 177.049 176.300 0.023 0.000 1.143 169 D CA 0.750 54.704 54.000 -0.076 0.000 0.871 169 D CB 0.417 41.173 40.800 -0.074 0.000 1.190 169 D HN 0.307 nan 8.370 nan 0.000 0.459 170 E N 1.648 121.910 120.200 0.103 0.000 2.489 170 E HA 0.170 4.520 4.350 -0.001 0.000 0.204 170 E C 1.039 177.813 176.600 0.291 0.000 1.006 170 E CA 0.081 56.607 56.400 0.210 0.000 0.936 170 E CB 0.597 30.442 29.700 0.241 0.000 1.002 170 E HN 0.492 nan 8.360 nan 0.000 0.488 171 A N 1.590 124.534 122.820 0.207 0.000 1.871 171 A HA -0.009 4.311 4.320 -0.001 0.000 0.211 171 A C 1.851 179.320 177.584 -0.192 0.000 1.207 171 A CA 0.711 52.639 52.037 -0.182 0.000 0.620 171 A CB -0.044 18.842 19.000 -0.189 0.000 0.860 171 A HN 0.047 nan 8.150 nan 0.000 0.450 172 N N 0.689 119.364 118.700 -0.042 0.000 2.405 172 N HA -0.003 4.737 4.740 -0.001 0.000 0.175 172 N C 0.518 176.011 175.510 -0.027 0.000 1.051 172 N CA 0.788 53.810 53.050 -0.048 0.000 0.899 172 N CB -0.070 38.432 38.487 0.025 0.000 1.000 172 N HN 0.502 nan 8.380 nan 0.000 0.451 173 S N 0.984 116.679 115.700 -0.008 0.000 2.549 173 S HA 0.006 4.476 4.470 -0.001 0.000 0.283 173 S C 0.055 174.667 174.600 0.019 0.000 1.320 173 S CA -0.526 57.680 58.200 0.010 0.000 1.058 173 S CB 0.982 64.191 63.200 0.015 0.000 0.882 173 S HN 0.212 nan 8.310 nan 0.000 0.498 174 H N 3.517 122.559 119.070 -0.045 0.000 2.652 174 H HA 0.034 4.589 4.556 -0.000 0.000 0.349 174 H C 1.287 176.580 175.328 -0.058 0.000 1.099 174 H CA -0.227 55.781 56.048 -0.066 0.000 1.417 174 H CB 0.499 30.177 29.762 -0.141 0.000 1.457 174 H HN 1.027 nan 8.280 nan 0.000 0.568 175 W N 5.813 127.035 121.300 -0.130 0.000 2.331 175 W HA -0.186 4.474 4.660 -0.000 0.000 0.291 175 W C 1.092 177.676 176.519 0.110 0.000 1.214 175 W CA 0.453 57.785 57.345 -0.022 0.000 1.228 175 W CB -0.506 28.884 29.460 -0.117 0.000 1.135 175 W HN 0.532 nan 8.180 nan 0.000 0.537 176 R N 0.791 120.916 120.500 -0.624 0.000 2.096 176 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 176 R C 2.027 178.158 176.300 -0.282 0.000 1.127 176 R CA 1.884 57.519 56.100 -0.776 0.000 0.968 176 R CB -0.455 29.317 30.300 -0.880 0.000 0.861 176 R HN 0.130 nan 8.270 nan 0.000 0.440 177 N N -0.151 118.466 118.700 -0.139 0.000 2.354 177 N HA -0.062 4.678 4.740 -0.001 0.000 0.179 177 N C 1.691 177.197 175.510 -0.007 0.000 1.021 177 N CA 0.689 53.700 53.050 -0.065 0.000 0.887 177 N CB 0.006 38.473 38.487 -0.032 0.000 0.974 177 N HN 0.005 nan 8.380 nan 0.000 0.437 178 V N 1.307 121.240 119.914 0.031 0.000 2.295 178 V HA -0.169 3.951 4.120 -0.001 0.000 0.246 178 V C 2.315 178.447 176.094 0.063 0.000 1.049 178 V CA 1.067 63.405 62.300 0.063 0.000 1.024 178 V CB -0.465 31.416 31.823 0.098 0.000 0.648 178 V HN 0.193 nan 8.190 nan 0.000 0.447 179 L N -0.302 120.967 121.223 0.076 0.000 2.056 179 L HA -0.112 4.228 4.340 -0.001 0.000 0.207 179 L C 2.175 179.050 176.870 0.009 0.000 1.078 179 L CA 1.826 56.706 54.840 0.066 0.000 0.749 179 L CB -0.694 41.437 42.059 0.120 0.000 0.901 179 L HN 0.292 nan 8.230 nan 0.000 0.433 180 L N -0.049 121.158 121.223 -0.027 0.000 1.989 180 L HA -0.252 4.088 4.340 -0.001 0.000 0.211 180 L C 2.586 179.442 176.870 -0.022 0.000 1.071 180 L CA 2.346 57.160 54.840 -0.044 0.000 0.749 180 L CB -0.827 41.186 42.059 -0.075 0.000 0.890 180 L HN 0.668 nan 8.230 nan 0.000 0.431 181 Q N -0.854 118.954 119.800 0.013 0.000 2.167 181 Q HA -0.206 4.133 4.340 -0.001 0.000 0.202 181 Q C 2.021 178.098 176.000 0.128 0.000 0.970 181 Q CA 2.108 57.955 55.803 0.073 0.000 0.855 181 Q CB -1.203 27.612 28.738 0.129 0.000 0.911 181 Q HN 0.485 nan 8.270 nan 0.000 0.438 182 L N 0.803 122.085 121.223 0.098 0.000 2.017 182 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 182 L C 1.931 178.875 176.870 0.122 0.000 1.073 182 L CA 2.484 57.395 54.840 0.118 0.000 0.745 182 L CB -1.019 41.088 42.059 0.080 0.000 0.894 182 L HN 0.338 nan 8.230 nan 0.000 0.432 183 T N -1.012 113.582 114.554 0.067 0.000 2.821 183 T HA -0.174 4.176 4.350 -0.001 0.000 0.267 183 T C 1.717 176.461 174.700 0.074 0.000 1.046 183 T CA 1.384 63.515 62.100 0.052 0.000 1.139 183 T CB -0.165 68.702 68.868 -0.001 0.000 0.871 183 T HN 0.331 nan 8.240 nan 0.000 0.454 184 E N 1.068 121.287 120.200 0.031 0.000 2.051 184 E HA -0.053 4.297 4.350 -0.001 0.000 0.192 184 E C 2.349 179.050 176.600 0.169 0.000 0.991 184 E CA 1.616 57.984 56.400 -0.052 0.000 0.799 184 E CB -0.899 28.603 29.700 -0.330 0.000 0.748 184 E HN 0.439 nan 8.360 nan 0.000 0.449 185 G N -0.034 108.969 108.800 0.339 0.000 2.404 185 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.215 185 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.215 185 G C 1.507 176.619 174.900 0.354 0.000 1.174 185 G CA 0.749 46.136 45.100 0.477 0.000 0.780 185 G HN 0.274 nan 8.290 nan 0.000 0.537 186 Q N -0.172 119.774 119.800 0.243 0.000 2.119 186 Q HA -0.076 4.263 4.340 -0.001 0.000 0.201 186 Q C 2.838 178.932 176.000 0.156 0.000 0.972 186 Q CA 1.547 57.456 55.803 0.177 0.000 0.847 186 Q CB -0.327 28.500 28.738 0.147 0.000 0.903 186 Q HN 0.414 nan 8.270 nan 0.000 0.433 187 T N 0.313 114.966 114.554 0.164 0.000 2.708 187 T HA -0.200 4.150 4.350 -0.001 0.000 0.266 187 T C 1.110 175.906 174.700 0.160 0.000 1.037 187 T CA 1.247 63.422 62.100 0.126 0.000 1.146 187 T CB -0.436 68.498 68.868 0.110 0.000 0.865 187 T HN 0.475 nan 8.240 nan 0.000 0.435 188 W N 1.564 122.948 121.300 0.140 0.000 2.335 188 W HA -0.095 4.565 4.660 -0.001 0.000 0.311 188 W C 1.886 178.520 176.519 0.193 0.000 1.213 188 W CA 1.041 58.544 57.345 0.263 0.000 1.274 188 W CB -0.504 29.173 29.460 0.362 0.000 1.148 188 W HN 0.151 nan 8.180 nan 0.000 0.498 189 L N 0.553 122.004 121.223 0.380 0.000 2.012 189 L HA -0.278 4.062 4.340 -0.001 0.000 0.210 189 L C 2.677 179.495 176.870 -0.086 0.000 1.073 189 L CA 1.961 56.862 54.840 0.102 0.000 0.748 189 L CB -1.001 41.061 42.059 0.005 0.000 0.891 189 L HN -0.020 nan 8.230 nan 0.000 0.431 190 K N -0.181 120.185 120.400 -0.056 0.000 2.063 190 K HA -0.279 4.041 4.320 -0.001 0.000 0.208 190 K C 2.191 178.666 176.600 -0.209 0.000 1.048 190 K CA 1.777 58.004 56.287 -0.100 0.000 0.928 190 K CB -0.059 32.405 32.500 -0.060 0.000 0.713 190 K HN 0.288 nan 8.250 nan 0.000 0.442 191 Q N -0.921 118.681 119.800 -0.330 0.000 2.046 191 Q HA -0.140 4.200 4.340 -0.001 0.000 0.200 191 Q C 1.551 177.098 176.000 -0.754 0.000 0.975 191 Q CA 1.714 57.162 55.803 -0.593 0.000 0.836 191 Q CB 0.070 28.305 28.738 -0.837 0.000 0.896 191 Q HN 0.293 nan 8.270 nan 0.000 0.428 192 F N -1.678 117.917 119.950 -0.593 0.000 2.678 192 F HA 0.135 4.662 4.527 -0.001 0.000 0.291 192 F C 1.683 177.209 175.800 -0.456 0.000 1.123 192 F CA 0.266 57.871 58.000 -0.658 0.000 1.395 192 F CB 0.464 38.676 39.000 -1.315 0.000 1.121 192 F HN 0.084 nan 8.300 nan 0.000 0.592 193 M N -0.838 118.633 119.600 -0.214 0.000 2.292 193 M HA 0.204 4.683 4.480 -0.001 0.000 0.286 193 M C 0.260 176.554 176.300 -0.010 0.000 1.002 193 M CA 0.226 55.498 55.300 -0.046 0.000 1.029 193 M CB -0.728 31.874 32.600 0.003 0.000 1.537 193 M HN 0.070 nan 8.290 nan 0.000 0.543 194 N N 1.987 120.646 118.700 -0.069 0.000 2.716 194 N HA -0.141 4.598 4.740 -0.001 0.000 0.250 194 N C -1.026 174.476 175.510 -0.013 0.000 1.033 194 N CA 0.699 53.721 53.050 -0.047 0.000 0.727 194 N CB -0.893 37.577 38.487 -0.028 0.000 0.950 194 N HN 0.334 nan 8.380 nan 0.000 0.541 195 V N -3.599 116.310 119.914 -0.009 0.000 2.971 195 V HA 0.813 4.933 4.120 -0.001 0.000 0.309 195 V C 0.037 176.128 176.094 -0.004 0.000 1.130 195 V CA -0.588 61.722 62.300 0.017 0.000 0.964 195 V CB 2.280 34.161 31.823 0.098 0.000 1.029 195 V HN 0.040 nan 8.190 nan 0.000 0.427 196 T N 4.612 119.152 114.554 -0.025 0.000 2.892 196 T HA 0.575 4.925 4.350 -0.001 0.000 0.311 196 T C -2.682 171.943 174.700 -0.124 0.000 1.033 196 T CA -0.821 61.244 62.100 -0.058 0.000 0.991 196 T CB 1.302 70.125 68.868 -0.074 0.000 0.981 196 T HN 0.762 nan 8.240 nan 0.000 0.457 197 P HA 0.164 nan 4.420 nan 0.000 0.266 197 P C 0.801 177.724 177.300 -0.627 0.000 1.195 197 P CA -0.144 62.845 63.100 -0.184 0.000 0.768 197 P CB 0.521 32.227 31.700 0.011 0.000 0.838 198 T N -1.646 112.582 114.554 -0.544 0.000 3.043 198 T HA 0.540 4.890 4.350 -0.001 0.000 0.272 198 T C 0.330 174.823 174.700 -0.346 0.000 0.990 198 T CA -0.292 61.353 62.100 -0.757 0.000 0.897 198 T CB 0.141 68.788 68.868 -0.368 0.000 1.111 198 T HN 0.414 nan 8.240 nan 0.000 0.529 199 A N 0.865 123.644 122.820 -0.068 0.000 2.343 199 A HA 0.802 5.121 4.320 -0.001 0.000 0.316 199 A C -0.174 177.671 177.584 0.434 0.000 1.104 199 A CA -0.690 51.471 52.037 0.206 0.000 0.768 199 A CB 1.787 20.924 19.000 0.228 0.000 1.213 199 A HN 0.257 nan 8.150 nan 0.000 0.456 200 S N 2.190 118.144 115.700 0.424 0.000 2.549 200 S HA 0.675 5.144 4.470 -0.001 0.000 0.297 200 S C -1.155 173.634 174.600 0.316 0.000 1.115 200 S CA -0.421 57.972 58.200 0.322 0.000 1.059 200 S CB 0.752 63.965 63.200 0.022 0.000 1.046 200 S HN 0.802 nan 8.310 nan 0.000 0.506 201 W N 4.736 126.051 121.300 0.026 0.000 2.463 201 W HA 0.628 5.288 4.660 -0.001 0.000 0.316 201 W C -1.386 175.080 176.519 -0.089 0.000 1.004 201 W CA -0.829 56.484 57.345 -0.053 0.000 1.309 201 W CB 1.098 30.499 29.460 -0.097 0.000 1.288 201 W HN 0.771 nan 8.180 nan 0.000 0.423 202 A N 7.998 130.652 122.820 -0.277 0.000 2.978 202 A HA 0.241 4.561 4.320 -0.001 0.000 0.341 202 A C 0.578 177.913 177.584 -0.415 0.000 1.105 202 A CA -0.455 51.438 52.037 -0.241 0.000 0.819 202 A CB -0.518 18.460 19.000 -0.037 0.000 1.080 202 A HN 0.701 nan 8.150 nan 0.000 0.476 203 I N -2.576 117.556 120.570 -0.730 0.000 3.251 203 I HA 0.245 4.414 4.170 -0.001 0.000 0.277 203 I C 1.231 177.028 176.117 -0.534 0.000 1.268 203 I CA 1.385 62.224 61.300 -0.769 0.000 1.449 203 I CB 0.375 37.672 38.000 -1.172 0.000 1.083 203 I HN 0.342 nan 8.210 nan 0.000 0.464 204 A N 0.426 122.901 122.820 -0.575 0.000 2.226 204 A HA 0.471 4.790 4.320 -0.001 0.000 0.207 204 A C -2.011 175.143 177.584 -0.716 0.000 1.293 204 A CA -0.222 51.439 52.037 -0.626 0.000 0.968 204 A CB -0.756 17.696 19.000 -0.913 0.000 1.044 204 A HN 0.245 nan 8.150 nan 0.000 0.493 205 P HA 0.093 nan 4.420 nan 0.000 0.266 205 P C -0.763 176.127 177.300 -0.683 0.000 1.193 205 P CA 0.461 63.084 63.100 -0.795 0.000 0.770 205 P CB 0.042 31.408 31.700 -0.557 0.000 0.836 206 F N 2.197 121.930 119.950 -0.362 0.000 2.541 206 F HA 0.522 5.049 4.527 -0.001 0.000 0.351 206 F C 1.465 177.231 175.800 -0.057 0.000 1.209 206 F CA -0.590 57.176 58.000 -0.390 0.000 1.277 206 F CB -1.137 37.793 39.000 -0.117 0.000 1.632 206 F HN 0.513 nan 8.300 nan 0.000 0.619 207 G N 1.407 109.975 108.800 -0.387 0.000 2.699 207 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.686 207 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.686 207 G C -1.416 173.126 174.900 -0.596 0.000 1.301 207 G CA -1.119 43.844 45.100 -0.227 0.000 0.816 207 G HN 0.653 nan 8.290 nan 0.000 0.595 208 H N -0.615 118.138 119.070 -0.528 0.000 2.717 208 H HA 0.729 5.285 4.556 -0.000 0.000 0.366 208 H C -0.379 174.819 175.328 -0.217 0.000 1.132 208 H CA 0.047 55.980 56.048 -0.192 0.000 1.180 208 H CB 2.028 31.848 29.762 0.098 0.000 1.678 208 H HN 0.681 nan 8.280 nan 0.000 0.537 209 S N 2.427 118.262 115.700 0.226 0.000 2.472 209 S HA 0.253 4.723 4.470 -0.001 0.000 0.303 209 S C -1.752 172.846 174.600 -0.003 0.000 1.099 209 S CA -1.770 56.568 58.200 0.230 0.000 1.077 209 S CB 1.243 64.628 63.200 0.307 0.000 1.031 209 S HN 0.450 nan 8.310 nan 0.000 0.487 210 P HA 0.002 nan 4.420 nan 0.000 0.234 210 P C 1.131 178.163 177.300 -0.447 0.000 1.167 210 P CA 0.737 63.398 63.100 -0.732 0.000 0.763 210 P CB -0.279 31.156 31.700 -0.442 0.000 0.835 211 T N -0.079 114.352 114.554 -0.205 0.000 2.803 211 T HA -0.132 4.217 4.350 -0.001 0.000 0.269 211 T C 1.840 176.495 174.700 -0.075 0.000 1.052 211 T CA 1.322 63.355 62.100 -0.112 0.000 1.136 211 T CB -0.406 68.438 68.868 -0.040 0.000 0.864 211 T HN 0.010 nan 8.240 nan 0.000 0.467 212 M N 0.883 120.392 119.600 -0.151 0.000 2.066 212 M HA -0.009 4.471 4.480 -0.001 0.000 0.259 212 M C -0.558 175.603 176.300 -0.232 0.000 1.074 212 M CA 1.350 56.557 55.300 -0.155 0.000 1.114 212 M CB -2.587 29.948 32.600 -0.108 0.000 1.306 212 M HN 0.140 nan 8.290 nan 0.000 0.411 213 P HA -0.208 nan 4.420 nan 0.000 0.216 213 P C 1.698 178.875 177.300 -0.205 0.000 1.150 213 P CA 1.495 64.412 63.100 -0.305 0.000 0.837 213 P CB -0.449 30.989 31.700 -0.438 0.000 0.786 214 Y N 1.143 121.258 120.300 -0.307 0.000 2.053 214 Y HA -0.243 4.306 4.550 -0.001 0.000 0.277 214 Y C 2.459 178.278 175.900 -0.136 0.000 1.159 214 Y CA 1.821 59.801 58.100 -0.199 0.000 1.125 214 Y CB -1.074 37.282 38.460 -0.174 0.000 0.969 214 Y HN -0.233 nan 8.280 nan 0.000 0.492 215 I N -0.401 120.178 120.570 0.016 0.000 2.202 215 I HA -0.328 3.841 4.170 -0.001 0.000 0.242 215 I C 2.347 178.391 176.117 -0.122 0.000 1.091 215 I CA 1.312 62.591 61.300 -0.034 0.000 1.368 215 I CB -0.464 37.583 38.000 0.078 0.000 1.058 215 I HN 0.278 nan 8.210 nan 0.000 0.410 216 L N 0.074 121.175 121.223 -0.203 0.000 2.046 216 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 216 L C 2.695 179.553 176.870 -0.019 0.000 1.077 216 L CA 1.276 55.931 54.840 -0.309 0.000 0.747 216 L CB -0.750 40.935 42.059 -0.624 0.000 0.896 216 L HN 0.365 nan 8.230 nan 0.000 0.432 217 Q N 1.129 120.880 119.800 -0.082 0.000 2.224 217 Q HA -0.190 4.150 4.340 -0.001 0.000 0.203 217 Q C 1.674 177.634 176.000 -0.067 0.000 0.970 217 Q CA 1.493 57.268 55.803 -0.048 0.000 0.865 217 Q CB 0.127 28.807 28.738 -0.097 0.000 0.922 217 Q HN 0.461 nan 8.270 nan 0.000 0.445 218 K N -0.494 119.825 120.400 -0.135 0.000 2.444 218 K HA 0.120 4.440 4.320 -0.001 0.000 0.193 218 K C 0.602 177.166 176.600 -0.060 0.000 1.024 218 K CA 0.090 56.293 56.287 -0.141 0.000 1.077 218 K CB 0.534 32.880 32.500 -0.258 0.000 0.833 218 K HN -0.087 nan 8.250 nan 0.000 0.517 219 S N -0.177 115.542 115.700 0.031 0.000 2.741 219 S HA 0.204 4.674 4.470 -0.001 0.000 0.247 219 S C 0.727 175.428 174.600 0.168 0.000 1.050 219 S CA 0.085 58.351 58.200 0.109 0.000 1.025 219 S CB 1.276 64.578 63.200 0.170 0.000 0.897 219 S HN 0.522 nan 8.310 nan 0.000 0.508 220 G N 1.228 110.076 108.800 0.080 0.000 2.179 220 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.260 220 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.260 220 G C 0.012 174.883 174.900 -0.048 0.000 0.977 220 G CA -0.306 44.787 45.100 -0.012 0.000 0.641 220 G HN 0.452 nan 8.290 nan 0.000 0.533 221 F N 0.164 120.075 119.950 -0.067 0.000 2.496 221 F HA 0.553 5.079 4.527 -0.001 0.000 0.344 221 F C 1.569 177.311 175.800 -0.096 0.000 1.155 221 F CA 0.161 58.118 58.000 -0.073 0.000 1.302 221 F CB 0.866 39.826 39.000 -0.067 0.000 1.159 221 F HN -0.191 nan 8.300 nan 0.000 0.595 222 K N 0.727 121.138 120.400 0.019 0.000 2.435 222 K HA 0.252 4.571 4.320 -0.001 0.000 0.199 222 K C -0.388 176.149 176.600 -0.104 0.000 1.153 222 K CA 0.313 56.556 56.287 -0.075 0.000 0.974 222 K CB 0.216 32.626 32.500 -0.149 0.000 0.997 222 K HN 0.529 nan 8.250 nan 0.000 0.547 223 N N 0.548 119.170 118.700 -0.129 0.000 2.484 223 N HA 0.377 5.116 4.740 -0.001 0.000 0.269 223 N C -0.964 174.395 175.510 -0.252 0.000 1.237 223 N CA -0.389 52.414 53.050 -0.410 0.000 0.838 223 N CB 2.568 40.279 38.487 -1.293 0.000 1.593 223 N HN -0.078 nan 8.380 nan 0.000 0.485 224 M N -0.288 119.168 119.600 -0.240 0.000 2.569 224 M HA 0.631 5.111 4.480 -0.001 0.000 0.279 224 M C -2.008 174.340 176.300 0.079 0.000 1.253 224 M CA -0.934 54.351 55.300 -0.026 0.000 0.867 224 M CB 2.940 35.520 32.600 -0.033 0.000 1.727 224 M HN 0.484 nan 8.290 nan 0.000 0.467 225 L N 3.583 124.867 121.223 0.102 0.000 2.401 225 L HA 0.883 5.222 4.340 -0.001 0.000 0.266 225 L C -1.572 175.156 176.870 -0.238 0.000 0.991 225 L CA -0.756 54.097 54.840 0.021 0.000 0.818 225 L CB 2.093 44.206 42.059 0.089 0.000 1.321 225 L HN 0.958 nan 8.230 nan 0.000 0.413 226 I N 0.883 121.230 120.570 -0.371 0.000 2.934 226 I HA 0.601 4.770 4.170 -0.001 0.000 0.306 226 I C -0.652 175.176 176.117 -0.482 0.000 1.110 226 I CA -0.585 60.331 61.300 -0.639 0.000 1.019 226 I CB 2.220 39.529 38.000 -1.151 0.000 1.227 226 I HN 0.739 nan 8.210 nan 0.000 0.434 227 Q N 2.318 121.910 119.800 -0.346 0.000 2.599 227 Q HA 0.345 4.685 4.340 -0.001 0.000 0.229 227 Q C 0.173 176.062 176.000 -0.184 0.000 0.800 227 Q CA 0.416 56.076 55.803 -0.238 0.000 0.937 227 Q CB 0.521 29.119 28.738 -0.232 0.000 1.285 227 Q HN 0.650 nan 8.270 nan 0.000 0.600 228 R N 1.978 122.364 120.500 -0.190 0.000 2.612 228 R HA 0.308 4.647 4.340 -0.001 0.000 0.273 228 R C -0.729 175.271 176.300 -0.499 0.000 1.376 228 R CA 0.631 56.354 56.100 -0.627 0.000 1.171 228 R CB 0.089 29.671 30.300 -1.197 0.000 1.151 228 R HN 0.415 nan 8.270 nan 0.000 0.560 229 T N -2.416 112.088 114.554 -0.083 0.000 2.916 229 T HA 0.137 4.487 4.350 -0.001 0.000 0.292 229 T C -0.151 174.788 174.700 0.399 0.000 1.055 229 T CA -0.911 61.284 62.100 0.158 0.000 1.009 229 T CB 1.662 70.469 68.868 -0.102 0.000 1.118 229 T HN 0.419 nan 8.240 nan 0.000 0.497 230 H N 1.988 121.252 119.070 0.324 0.000 3.094 230 H HA -0.013 4.543 4.556 -0.000 0.000 0.320 230 H C 1.119 176.482 175.328 0.058 0.000 1.000 230 H CA 0.440 56.577 56.048 0.149 0.000 1.413 230 H CB 0.333 30.212 29.762 0.194 0.000 1.405 230 H HN 0.915 nan 8.280 nan 0.000 0.586 231 Y N 2.549 122.943 120.300 0.157 0.000 2.241 231 Y HA -0.221 4.328 4.550 -0.001 0.000 0.286 231 Y C 2.174 178.217 175.900 0.239 0.000 1.166 231 Y CA 1.088 59.304 58.100 0.193 0.000 1.203 231 Y CB -0.748 37.773 38.460 0.101 0.000 0.977 231 Y HN 0.311 nan 8.280 nan 0.000 0.529 232 S N 0.458 116.152 115.700 -0.009 0.000 2.368 232 S HA -0.144 4.326 4.470 -0.001 0.000 0.224 232 S C 2.122 176.619 174.600 -0.171 0.000 1.029 232 S CA 1.312 59.407 58.200 -0.175 0.000 0.988 232 S CB -0.663 62.171 63.200 -0.611 0.000 0.838 232 S HN 0.379 nan 8.310 nan 0.000 0.462 233 V N 1.999 121.871 119.914 -0.070 0.000 2.295 233 V HA -0.202 3.918 4.120 -0.001 0.000 0.246 233 V C 2.265 178.378 176.094 0.033 0.000 1.049 233 V CA 1.661 63.959 62.300 -0.003 0.000 1.024 233 V CB -0.591 31.340 31.823 0.179 0.000 0.648 233 V HN 0.406 nan 8.190 nan 0.000 0.447 234 K N 0.157 120.613 120.400 0.093 0.000 2.020 234 K HA -0.281 4.039 4.320 -0.001 0.000 0.212 234 K C 2.286 178.995 176.600 0.182 0.000 1.050 234 K CA 2.080 58.439 56.287 0.120 0.000 0.929 234 K CB -0.304 32.319 32.500 0.206 0.000 0.714 234 K HN 0.356 nan 8.250 nan 0.000 0.443 235 K N 1.040 121.551 120.400 0.185 0.000 2.032 235 K HA -0.262 4.058 4.320 -0.001 0.000 0.209 235 K C 2.198 178.877 176.600 0.132 0.000 1.048 235 K CA 1.942 58.343 56.287 0.189 0.000 0.927 235 K CB -0.021 32.517 32.500 0.062 0.000 0.712 235 K HN 0.003 nan 8.250 nan 0.000 0.441 236 E N 0.926 121.125 120.200 -0.002 0.000 2.031 236 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 236 E C 1.984 178.566 176.600 -0.031 0.000 0.994 236 E CA 1.569 57.927 56.400 -0.070 0.000 0.800 236 E CB -0.309 29.302 29.700 -0.148 0.000 0.752 236 E HN 0.375 nan 8.360 nan 0.000 0.447 237 L N -0.018 121.198 121.223 -0.013 0.000 2.083 237 L HA -0.113 4.227 4.340 -0.001 0.000 0.209 237 L C 2.571 179.453 176.870 0.020 0.000 1.083 237 L CA 1.024 55.855 54.840 -0.015 0.000 0.752 237 L CB -0.705 41.332 42.059 -0.036 0.000 0.899 237 L HN 0.216 nan 8.230 nan 0.000 0.433 238 A N -0.177 122.700 122.820 0.095 0.000 1.908 238 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 238 A C 2.234 179.984 177.584 0.277 0.000 1.181 238 A CA 1.782 53.934 52.037 0.192 0.000 0.627 238 A CB -0.565 18.696 19.000 0.435 0.000 0.818 238 A HN 0.471 nan 8.150 nan 0.000 0.445 239 Q N -1.083 118.829 119.800 0.186 0.000 2.234 239 Q HA -0.164 4.175 4.340 -0.001 0.000 0.206 239 Q C 1.382 177.362 176.000 -0.034 0.000 0.980 239 Q CA 1.360 57.118 55.803 -0.074 0.000 0.869 239 Q CB -0.018 28.535 28.738 -0.308 0.000 0.912 239 Q HN 0.620 nan 8.270 nan 0.000 0.436 240 Q N -0.274 119.523 119.800 -0.006 0.000 2.247 240 Q HA 0.137 4.477 4.340 -0.001 0.000 0.204 240 Q C -0.454 175.564 176.000 0.030 0.000 0.872 240 Q CA -0.007 55.794 55.803 -0.003 0.000 0.951 240 Q CB 0.631 29.357 28.738 -0.019 0.000 1.099 240 Q HN 0.276 nan 8.270 nan 0.000 0.501 241 R N 0.927 121.452 120.500 0.041 0.000 3.251 241 R HA -0.217 4.123 4.340 -0.001 0.000 0.249 241 R C -0.125 176.213 176.300 0.064 0.000 0.949 241 R CA 0.459 56.578 56.100 0.033 0.000 0.645 241 R CB -1.934 28.412 30.300 0.077 0.000 1.065 241 R HN 0.386 nan 8.270 nan 0.000 0.452 242 Q N 0.096 119.920 119.800 0.040 0.000 2.186 242 Q HA 0.197 4.537 4.340 -0.001 0.000 0.241 242 Q C 1.203 177.287 176.000 0.141 0.000 0.849 242 Q CA -0.234 55.626 55.803 0.095 0.000 1.053 242 Q CB 0.545 29.303 28.738 0.034 0.000 1.146 242 Q HN 0.458 nan 8.270 nan 0.000 0.475 243 L N 0.030 121.271 121.223 0.029 0.000 2.418 243 L HA 0.046 4.386 4.340 -0.001 0.000 0.218 243 L C 0.338 177.186 176.870 -0.037 0.000 1.125 243 L CA 0.927 55.749 54.840 -0.030 0.000 0.835 243 L CB 0.299 42.152 42.059 -0.343 0.000 0.953 243 L HN 0.194 nan 8.230 nan 0.000 0.454 244 E N 0.291 120.516 120.200 0.042 0.000 2.158 244 E HA 0.511 4.861 4.350 -0.001 0.000 0.271 244 E C -1.201 175.307 176.600 -0.154 0.000 0.911 244 E CA -0.520 55.714 56.400 -0.277 0.000 0.767 244 E CB 1.487 31.148 29.700 -0.065 0.000 1.120 244 E HN 0.003 nan 8.360 nan 0.000 0.405 245 F N -0.297 119.381 119.950 -0.453 0.000 2.686 245 F HA 0.480 5.007 4.527 -0.001 0.000 0.311 245 F C -1.574 174.093 175.800 -0.222 0.000 1.128 245 F CA -1.405 56.472 58.000 -0.204 0.000 0.946 245 F CB 0.789 39.710 39.000 -0.132 0.000 1.336 245 F HN 0.156 nan 8.300 nan 0.000 0.457 246 L N 2.582 123.952 121.223 0.245 0.000 2.259 246 L HA 0.194 4.534 4.340 -0.001 0.000 0.288 246 L C -1.134 175.961 176.870 0.374 0.000 1.051 246 L CA -0.260 54.722 54.840 0.237 0.000 0.824 246 L CB 0.565 42.770 42.059 0.244 0.000 1.206 246 L HN 0.578 nan 8.230 nan 0.000 0.429 247 W N 6.712 128.115 121.300 0.172 0.000 2.387 247 W HA 0.351 5.010 4.660 -0.000 0.000 0.310 247 W C 0.211 176.754 176.519 0.039 0.000 1.181 247 W CA -1.212 56.251 57.345 0.197 0.000 1.333 247 W CB 0.586 30.204 29.460 0.264 0.000 1.286 247 W HN 0.511 nan 8.180 nan 0.000 0.455 248 R N 3.818 124.479 120.500 0.269 0.000 2.828 248 R HA 0.534 4.874 4.340 -0.001 0.000 0.264 248 R C -0.170 176.032 176.300 -0.164 0.000 1.022 248 R CA -0.881 55.210 56.100 -0.014 0.000 1.021 248 R CB 1.209 31.491 30.300 -0.031 0.000 1.163 248 R HN 0.239 nan 8.270 nan 0.000 0.494 249 Q N 1.570 121.120 119.800 -0.417 0.000 2.421 249 Q HA 0.052 4.392 4.340 -0.001 0.000 0.255 249 Q C 1.461 177.081 176.000 -0.633 0.000 1.013 249 Q CA 0.144 55.499 55.803 -0.746 0.000 0.895 249 Q CB 0.798 28.604 28.738 -1.553 0.000 1.271 249 Q HN 0.850 nan 8.270 nan 0.000 0.460 250 I N -1.931 118.374 120.570 -0.441 0.000 2.530 250 I HA -0.167 4.003 4.170 -0.001 0.000 0.257 250 I C 1.282 177.349 176.117 -0.083 0.000 1.179 250 I CA 1.370 62.568 61.300 -0.170 0.000 1.440 250 I CB -0.341 37.648 38.000 -0.020 0.000 1.087 250 I HN 0.683 nan 8.210 nan 0.000 0.440 251 W N 1.246 122.604 121.300 0.098 0.000 3.220 251 W HA 0.375 5.035 4.660 -0.000 0.000 0.328 251 W C 0.228 176.825 176.519 0.129 0.000 1.205 251 W CA -0.683 56.780 57.345 0.197 0.000 1.773 251 W CB -0.671 28.995 29.460 0.343 0.000 1.086 251 W HN -0.064 nan 8.180 nan 0.000 0.622 252 D N 1.751 121.895 120.400 -0.426 0.000 2.402 252 D HA 0.014 4.654 4.640 -0.001 0.000 0.235 252 D C 0.978 177.253 176.300 -0.041 0.000 1.226 252 D CA 0.258 54.129 54.000 -0.214 0.000 0.918 252 D CB 0.185 40.760 40.800 -0.376 0.000 1.043 252 D HN 0.066 nan 8.370 nan 0.000 0.506 253 N N 3.253 121.991 118.700 0.063 0.000 2.216 253 N HA -0.117 4.623 4.740 -0.001 0.000 0.183 253 N C 1.328 176.859 175.510 0.035 0.000 1.017 253 N CA 0.585 53.665 53.050 0.050 0.000 0.861 253 N CB 0.274 38.809 38.487 0.080 0.000 0.986 253 N HN 0.431 nan 8.380 nan 0.000 0.428 254 K N 0.057 120.482 120.400 0.043 0.000 2.076 254 K HA -0.038 4.281 4.320 -0.001 0.000 0.204 254 K C 0.854 177.469 176.600 0.024 0.000 1.051 254 K CA 1.196 57.505 56.287 0.036 0.000 0.949 254 K CB 0.135 32.661 32.500 0.043 0.000 0.726 254 K HN 0.244 nan 8.250 nan 0.000 0.443 255 G N 0.678 109.484 108.800 0.011 0.000 2.148 255 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.203 255 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.203 255 G C 0.116 175.020 174.900 0.007 0.000 0.993 255 G CA 0.320 45.424 45.100 0.007 0.000 0.661 255 G HN 0.324 nan 8.290 nan 0.000 0.518 256 D N 0.544 120.947 120.400 0.005 0.000 2.317 256 D HA 0.009 4.649 4.640 -0.001 0.000 0.211 256 D C 2.599 178.886 176.300 -0.022 0.000 0.966 256 D CA 1.640 55.641 54.000 0.001 0.000 0.876 256 D CB -0.129 40.678 40.800 0.012 0.000 0.927 256 D HN 0.633 nan 8.370 nan 0.000 0.519 257 T N -1.972 112.558 114.554 -0.040 0.000 3.148 257 T HA 0.283 4.632 4.350 -0.001 0.000 0.253 257 T C 0.966 175.625 174.700 -0.067 0.000 1.134 257 T CA -0.115 61.939 62.100 -0.076 0.000 1.051 257 T CB -0.002 68.802 68.868 -0.107 0.000 0.959 257 T HN 0.040 nan 8.240 nan 0.000 0.525 258 A N 1.402 124.209 122.820 -0.021 0.000 2.477 258 A HA 0.584 4.904 4.320 -0.001 0.000 0.246 258 A C -0.322 177.285 177.584 0.038 0.000 1.078 258 A CA -0.430 51.626 52.037 0.032 0.000 0.770 258 A CB -0.037 19.007 19.000 0.073 0.000 1.011 258 A HN 0.526 nan 8.150 nan 0.000 0.494 259 L N 2.909 124.174 121.223 0.071 0.000 2.409 259 L HA 0.539 4.879 4.340 -0.001 0.000 0.272 259 L C -0.621 176.306 176.870 0.095 0.000 0.980 259 L CA -0.568 54.308 54.840 0.061 0.000 0.826 259 L CB 1.361 43.422 42.059 0.003 0.000 1.268 259 L HN 0.663 nan 8.230 nan 0.000 0.407 260 F N 3.951 123.866 119.950 -0.059 0.000 2.602 260 F HA 0.330 4.857 4.527 -0.001 0.000 0.385 260 F C 0.045 175.723 175.800 -0.204 0.000 1.063 260 F CA 0.884 58.813 58.000 -0.119 0.000 1.233 260 F CB 0.397 39.352 39.000 -0.076 0.000 1.067 260 F HN 0.570 nan 8.300 nan 0.000 0.564 261 T N 5.427 119.392 114.554 -0.981 0.000 2.861 261 T HA 0.199 4.548 4.350 -0.001 0.000 0.287 261 T C -1.584 172.503 174.700 -1.023 0.000 1.003 261 T CA -0.482 61.125 62.100 -0.821 0.000 0.977 261 T CB 0.922 69.282 68.868 -0.846 0.000 0.996 261 T HN 0.613 nan 8.240 nan 0.000 0.448 262 H N 2.859 121.636 119.070 -0.488 0.000 2.595 262 H HA 0.599 5.155 4.556 -0.001 0.000 0.313 262 H C -0.319 174.822 175.328 -0.312 0.000 1.023 262 H CA -0.732 55.144 56.048 -0.287 0.000 1.218 262 H CB 0.678 30.488 29.762 0.079 0.000 1.403 262 H HN 0.474 nan 8.280 nan 0.000 0.477 263 M N 6.574 125.892 119.600 -0.469 0.000 2.144 263 M HA 0.274 4.753 4.480 -0.001 0.000 0.356 263 M C -0.818 175.271 176.300 -0.351 0.000 1.217 263 M CA -0.537 54.538 55.300 -0.375 0.000 1.087 263 M CB 0.591 33.003 32.600 -0.312 0.000 1.609 263 M HN 0.698 nan 8.290 nan 0.000 0.467 264 M N 6.758 126.227 119.600 -0.218 0.000 2.243 264 M HA 0.186 4.666 4.480 -0.001 0.000 0.341 264 M C -1.740 174.416 176.300 -0.240 0.000 1.130 264 M CA -1.305 53.903 55.300 -0.154 0.000 1.162 264 M CB 0.171 32.701 32.600 -0.116 0.000 1.497 264 M HN 0.450 nan 8.290 nan 0.000 0.456 265 P HA 0.142 nan 4.420 nan 0.000 0.238 265 P C -0.528 176.506 177.300 -0.443 0.000 1.183 265 P CA 0.879 63.600 63.100 -0.630 0.000 0.813 265 P CB 0.346 31.252 31.700 -1.324 0.000 0.944 266 F N -2.487 117.462 119.950 -0.001 0.000 2.629 266 F HA 0.329 4.855 4.527 -0.001 0.000 0.386 266 F C 1.840 177.722 175.800 0.136 0.000 1.135 266 F CA -1.111 56.929 58.000 0.066 0.000 1.116 266 F CB -0.821 38.146 39.000 -0.055 0.000 1.426 266 F HN -0.308 nan 8.300 nan 0.000 0.501 267 Y N -0.041 120.407 120.300 0.246 0.000 2.395 267 Y HA 0.194 4.744 4.550 -0.001 0.000 0.293 267 Y C 0.832 176.648 175.900 -0.140 0.000 1.123 267 Y CA 1.125 59.232 58.100 0.011 0.000 1.227 267 Y CB 0.130 38.516 38.460 -0.124 0.000 1.012 267 Y HN 0.363 nan 8.280 nan 0.000 0.552 268 S N -1.676 113.845 115.700 -0.299 0.000 2.638 268 S HA 0.245 4.715 4.470 -0.001 0.000 0.274 268 S C -0.448 174.076 174.600 -0.126 0.000 1.157 268 S CA -0.369 57.571 58.200 -0.432 0.000 0.826 268 S CB 0.226 63.111 63.200 -0.525 0.000 1.139 268 S HN 0.281 nan 8.310 nan 0.000 0.474 269 Y N 0.837 121.097 120.300 -0.067 0.000 2.466 269 Y HA 0.325 4.875 4.550 -0.001 0.000 0.272 269 Y C 0.422 176.413 175.900 0.152 0.000 1.169 269 Y CA -0.599 57.499 58.100 -0.003 0.000 1.285 269 Y CB -0.977 37.400 38.460 -0.137 0.000 1.078 269 Y HN 0.549 nan 8.280 nan 0.000 0.523 270 D N 0.613 121.066 120.400 0.087 0.000 2.384 270 D HA -0.008 4.632 4.640 -0.001 0.000 0.244 270 D C 1.220 177.661 176.300 0.234 0.000 1.251 270 D CA -0.436 53.682 54.000 0.196 0.000 0.961 270 D CB 0.834 41.708 40.800 0.124 0.000 1.116 270 D HN 0.243 nan 8.370 nan 0.000 0.484 271 I N -0.224 120.457 120.570 0.185 0.000 2.179 271 I HA -0.159 4.010 4.170 -0.001 0.000 0.242 271 I C -0.740 175.419 176.117 0.070 0.000 1.088 271 I CA 0.944 62.333 61.300 0.150 0.000 1.357 271 I CB -1.253 36.822 38.000 0.125 0.000 1.051 271 I HN 0.355 nan 8.210 nan 0.000 0.409 272 P HA -0.168 nan 4.420 nan 0.000 0.218 272 P C 0.630 177.628 177.300 -0.503 0.000 1.146 272 P CA 1.645 64.577 63.100 -0.280 0.000 0.813 272 P CB -0.146 31.407 31.700 -0.244 0.000 0.778 273 H N -2.929 116.129 119.070 -0.019 0.000 2.487 273 H HA 0.216 4.772 4.556 -0.001 0.000 0.290 273 H C 0.971 176.357 175.328 0.097 0.000 1.081 273 H CA 0.658 56.693 56.048 -0.022 0.000 1.116 273 H CB -0.249 29.584 29.762 0.118 0.000 1.560 273 H HN 0.131 nan 8.280 nan 0.000 0.548 274 T N -4.179 110.469 114.554 0.157 0.000 2.969 274 T HA -0.033 4.317 4.350 -0.001 0.000 0.258 274 T C 1.844 176.658 174.700 0.190 0.000 0.962 274 T CA 0.365 62.602 62.100 0.229 0.000 0.903 274 T CB -0.687 68.322 68.868 0.235 0.000 1.177 274 T HN 0.520 nan 8.240 nan 0.000 0.511 275 c N 1.622 120.289 118.600 0.112 0.000 2.495 275 c HA 0.700 5.269 4.570 -0.001 0.000 0.275 275 c C 1.369 175.539 174.090 0.134 0.000 1.392 275 c CA 0.333 56.768 56.329 0.176 0.000 1.766 275 c CB -1.204 41.379 42.510 0.121 0.000 1.933 275 c HN 0.903 nan 8.230 nan 0.000 0.519 276 G N -0.346 108.410 108.800 -0.073 0.000 2.324 276 G HA2 0.350 4.310 3.960 -0.001 0.000 0.293 276 G HA3 0.350 4.310 3.960 -0.001 0.000 0.293 276 G C -2.687 171.634 174.900 -0.966 0.000 1.297 276 G CA 0.187 45.141 45.100 -0.244 0.000 0.853 276 G HN -0.103 nan 8.290 nan 0.000 0.535 277 P HA 0.076 nan 4.420 nan 0.000 0.223 277 P C -0.036 176.854 177.300 -0.683 0.000 1.151 277 P CA 1.174 63.613 63.100 -1.103 0.000 0.787 277 P CB 0.311 31.724 31.700 -0.479 0.000 0.788 278 D N 0.465 120.555 120.400 -0.516 0.000 2.460 278 D HA 0.147 4.787 4.640 -0.001 0.000 0.232 278 D C -1.560 174.393 176.300 -0.580 0.000 1.079 278 D CA -2.599 51.151 54.000 -0.417 0.000 0.864 278 D CB 1.332 41.969 40.800 -0.271 0.000 1.048 278 D HN -0.018 nan 8.370 nan 0.000 0.523 279 P HA -0.136 nan 4.420 nan 0.000 0.221 279 P C 1.253 177.715 177.300 -1.396 0.000 1.150 279 P CA 0.726 63.079 63.100 -1.245 0.000 0.800 279 P CB 0.501 31.208 31.700 -1.655 0.000 0.787 280 K N 0.360 120.052 120.400 -1.180 0.000 2.097 280 K HA -0.078 4.241 4.320 -0.001 0.000 0.206 280 K C 1.803 178.202 176.600 -0.335 0.000 1.049 280 K CA 1.218 57.113 56.287 -0.653 0.000 0.933 280 K CB -0.351 31.967 32.500 -0.302 0.000 0.717 280 K HN -0.088 nan 8.250 nan 0.000 0.442 281 V N 0.625 120.356 119.914 -0.305 0.000 2.302 281 V HA -0.261 3.858 4.120 -0.001 0.000 0.243 281 V C 2.479 178.540 176.094 -0.054 0.000 1.036 281 V CA 1.570 63.789 62.300 -0.135 0.000 1.020 281 V CB -0.474 31.282 31.823 -0.111 0.000 0.657 281 V HN 0.499 nan 8.190 nan 0.000 0.453 282 c N -0.633 117.855 118.600 -0.187 0.000 2.413 282 c HA -0.230 4.340 4.570 -0.001 0.000 0.277 282 c C 3.015 177.064 174.090 -0.068 0.000 1.265 282 c CA 0.956 57.226 56.329 -0.098 0.000 1.752 282 c CB -1.519 40.845 42.510 -0.243 0.000 1.998 282 c HN 0.778 nan 8.230 nan 0.000 0.489 283 c N 0.781 119.258 118.600 -0.204 0.000 2.422 283 c HA -0.149 4.421 4.570 -0.001 0.000 0.279 283 c C 2.612 176.594 174.090 -0.179 0.000 1.305 283 c CA 1.246 57.508 56.329 -0.111 0.000 1.757 283 c CB -1.439 41.090 42.510 0.031 0.000 1.962 283 c HN 0.645 nan 8.230 nan 0.000 0.499 284 Q N -1.345 118.296 119.800 -0.265 0.000 2.515 284 Q HA -0.025 4.315 4.340 -0.001 0.000 0.212 284 Q C 0.627 175.953 176.000 -1.123 0.000 0.970 284 Q CA 1.001 56.447 55.803 -0.595 0.000 0.941 284 Q CB -0.038 28.324 28.738 -0.626 0.000 0.998 284 Q HN 0.747 nan 8.270 nan 0.000 0.518 285 F N -0.367 119.280 119.950 -0.504 0.000 2.698 285 F HA 0.176 4.703 4.527 -0.000 0.000 0.304 285 F C 0.195 175.724 175.800 -0.452 0.000 1.108 285 F CA -0.652 56.947 58.000 -0.669 0.000 1.263 285 F CB 0.804 39.645 39.000 -0.264 0.000 1.013 285 F HN -0.143 nan 8.300 nan 0.000 0.532 286 D N 0.186 120.382 120.400 -0.340 0.000 2.467 286 D HA 0.138 4.778 4.640 -0.001 0.000 0.220 286 D C 0.504 176.636 176.300 -0.279 0.000 1.103 286 D CA -0.297 53.610 54.000 -0.155 0.000 0.886 286 D CB 0.113 40.874 40.800 -0.064 0.000 1.025 286 D HN 0.096 nan 8.370 nan 0.000 0.514 287 F N 1.730 121.690 119.950 0.016 0.000 2.802 287 F HA 0.103 4.629 4.527 -0.001 0.000 0.300 287 F C 2.331 178.099 175.800 -0.053 0.000 1.168 287 F CA 0.258 58.245 58.000 -0.023 0.000 1.433 287 F CB 0.075 39.079 39.000 0.008 0.000 1.115 287 F HN 0.256 nan 8.300 nan 0.000 0.582 288 K N 0.760 121.124 120.400 -0.059 0.000 2.525 288 K HA 0.032 4.352 4.320 -0.001 0.000 0.192 288 K C 0.915 177.508 176.600 -0.011 0.000 1.029 288 K CA 0.332 56.475 56.287 -0.240 0.000 1.029 288 K CB 0.093 32.282 32.500 -0.520 0.000 0.814 288 K HN 0.205 nan 8.250 nan 0.000 0.503 289 R N 0.023 120.526 120.500 0.005 0.000 2.694 289 R HA 0.217 4.557 4.340 -0.001 0.000 0.334 289 R C 0.828 177.153 176.300 0.041 0.000 1.143 289 R CA -0.193 55.923 56.100 0.027 0.000 1.073 289 R CB 0.283 30.575 30.300 -0.013 0.000 1.366 289 R HN 0.160 nan 8.270 nan 0.000 0.577 290 M N -1.139 118.518 119.600 0.096 0.000 2.509 290 M HA 0.180 4.660 4.480 -0.001 0.000 0.250 290 M C 1.154 177.486 176.300 0.053 0.000 1.132 290 M CA 0.795 56.134 55.300 0.065 0.000 1.080 290 M CB 0.953 33.603 32.600 0.084 0.000 1.408 290 M HN 0.531 nan 8.290 nan 0.000 0.484 291 G N -0.133 108.712 108.800 0.075 0.000 3.288 291 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.195 291 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.195 291 G C 0.984 175.888 174.900 0.006 0.000 1.093 291 G CA 0.256 45.376 45.100 0.033 0.000 0.852 291 G HN 0.402 nan 8.290 nan 0.000 0.453 292 S N 0.169 115.838 115.700 -0.052 0.000 2.474 292 S HA 0.216 4.686 4.470 -0.001 0.000 0.235 292 S C 1.669 176.095 174.600 -0.290 0.000 0.997 292 S CA 1.459 59.537 58.200 -0.203 0.000 0.949 292 S CB -0.388 62.617 63.200 -0.325 0.000 0.766 292 S HN 0.328 nan 8.310 nan 0.000 0.517 293 F N 1.860 121.805 119.950 -0.009 0.000 2.693 293 F HA 0.436 4.963 4.527 -0.000 0.000 0.303 293 F C 1.848 177.643 175.800 -0.008 0.000 1.097 293 F CA -0.281 57.712 58.000 -0.011 0.000 1.330 293 F CB -0.200 38.790 39.000 -0.017 0.000 1.067 293 F HN 0.340 nan 8.300 nan 0.000 0.565 294 G N 1.333 110.204 108.800 0.118 0.000 2.225 294 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.267 294 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.267 294 G C -0.052 174.896 174.900 0.079 0.000 1.024 294 G CA 0.244 45.388 45.100 0.073 0.000 0.784 294 G HN 0.332 nan 8.290 nan 0.000 0.507 295 L N -0.043 121.240 121.223 0.101 0.000 2.333 295 L HA 0.865 5.204 4.340 -0.001 0.000 0.269 295 L C 0.553 177.452 176.870 0.048 0.000 1.010 295 L CA -0.412 54.468 54.840 0.067 0.000 0.818 295 L CB 2.280 44.376 42.059 0.062 0.000 1.306 295 L HN 0.407 nan 8.230 nan 0.000 0.430 296 S N -0.853 114.863 115.700 0.026 0.000 2.671 296 S HA 0.529 4.998 4.470 -0.001 0.000 0.277 296 S C -1.148 173.462 174.600 0.017 0.000 1.165 296 S CA -0.831 57.377 58.200 0.013 0.000 0.822 296 S CB 1.570 64.769 63.200 -0.003 0.000 1.150 296 S HN 0.530 nan 8.310 nan 0.000 0.479 297 c N 3.080 121.696 118.600 0.027 0.000 2.265 297 c HA 0.504 5.074 4.570 -0.001 0.000 0.332 297 c C -1.044 173.036 174.090 -0.017 0.000 1.248 297 c CA -1.116 55.269 56.329 0.093 0.000 1.727 297 c CB 0.541 43.143 42.510 0.154 0.000 2.348 297 c HN 0.743 nan 8.230 nan 0.000 0.519 298 P HA -0.101 nan 4.420 nan 0.000 0.225 298 P C 1.116 178.107 177.300 -0.515 0.000 1.148 298 P CA 1.343 64.145 63.100 -0.496 0.000 0.779 298 P CB 0.058 31.244 31.700 -0.857 0.000 0.780 299 W N 0.133 121.406 121.300 -0.044 0.000 3.256 299 W HA 0.186 4.846 4.660 -0.000 0.000 0.269 299 W C 0.770 177.259 176.519 -0.049 0.000 1.310 299 W CA 0.100 57.415 57.345 -0.050 0.000 1.673 299 W CB -0.398 29.023 29.460 -0.065 0.000 1.115 299 W HN 0.127 nan 8.180 nan 0.000 0.686 300 K N -1.354 119.100 120.400 0.089 0.000 3.548 300 K HA -0.164 4.156 4.320 -0.001 0.000 0.296 300 K C -0.347 176.273 176.600 0.033 0.000 1.324 300 K CA 0.558 56.865 56.287 0.032 0.000 0.976 300 K CB -1.808 30.701 32.500 0.016 0.000 1.294 300 K HN -0.131 nan 8.250 nan 0.000 0.464 301 V N 2.269 122.216 119.914 0.055 0.000 2.350 301 V HA 0.324 4.444 4.120 -0.001 0.000 0.285 301 V C -1.844 174.232 176.094 -0.029 0.000 1.014 301 V CA -1.498 60.804 62.300 0.003 0.000 0.831 301 V CB 1.268 33.084 31.823 -0.011 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 -2.806 174.393 177.300 -0.169 0.000 1.252 302 P CA -2.015 61.036 63.100 -0.082 0.000 0.802 302 P CB 0.439 32.106 31.700 -0.055 0.000 1.035 303 P HA 0.243 nan 4.420 nan 0.000 0.272 303 P C -0.292 176.898 177.300 -0.182 0.000 1.223 303 P CA 0.204 63.084 63.100 -0.367 0.000 0.784 303 P CB 0.703 32.123 31.700 -0.467 0.000 0.923 304 R N 0.291 120.696 120.500 -0.158 0.000 2.686 304 R HA 0.400 4.739 4.340 -0.001 0.000 0.286 304 R C -0.223 176.131 176.300 0.091 0.000 0.969 304 R CA -0.679 55.402 56.100 -0.032 0.000 0.898 304 R CB 1.461 31.719 30.300 -0.070 0.000 1.183 304 R HN 0.359 nan 8.270 nan 0.000 0.456 305 T N 3.818 118.420 114.554 0.079 0.000 2.933 305 T HA 0.034 4.384 4.350 -0.001 0.000 0.306 305 T C 0.691 175.385 174.700 -0.011 0.000 1.045 305 T CA 0.214 62.337 62.100 0.039 0.000 1.143 305 T CB 0.137 69.009 68.868 0.007 0.000 1.003 305 T HN 0.189 nan 8.240 nan 0.000 0.540 306 I N 3.914 124.435 120.570 -0.082 0.000 2.441 306 I HA 0.293 4.463 4.170 -0.001 0.000 0.287 306 I C 0.941 177.013 176.117 -0.076 0.000 1.049 306 I CA -0.022 61.227 61.300 -0.084 0.000 1.381 306 I CB 0.533 38.446 38.000 -0.145 0.000 1.409 306 I HN 0.764 nan 8.210 nan 0.000 0.523 307 S N 3.699 119.365 115.700 -0.058 0.000 2.661 307 S HA 0.427 4.897 4.470 -0.001 0.000 0.285 307 S C 0.306 174.878 174.600 -0.046 0.000 1.138 307 S CA -0.777 57.397 58.200 -0.044 0.000 0.855 307 S CB 2.158 65.339 63.200 -0.032 0.000 1.136 307 S HN 0.512 nan 8.310 nan 0.000 0.484 308 D N 0.623 121.005 120.400 -0.030 0.000 2.263 308 D HA -0.063 4.577 4.640 -0.001 0.000 0.208 308 D C 1.432 177.711 176.300 -0.034 0.000 0.971 308 D CA 1.370 55.355 54.000 -0.025 0.000 0.867 308 D CB -0.168 40.631 40.800 -0.002 0.000 0.929 308 D HN 0.531 nan 8.370 nan 0.000 0.492 309 Q N 0.070 119.852 119.800 -0.031 0.000 2.354 309 Q HA -0.008 4.332 4.340 -0.001 0.000 0.203 309 Q C 1.327 177.304 176.000 -0.039 0.000 0.933 309 Q CA 0.684 56.471 55.803 -0.028 0.000 0.901 309 Q CB 0.042 28.769 28.738 -0.019 0.000 1.007 309 Q HN 0.342 nan 8.270 nan 0.000 0.495 310 N N -1.586 117.083 118.700 -0.052 0.000 2.197 310 N HA -0.020 4.719 4.740 -0.001 0.000 0.201 310 N C 1.163 176.624 175.510 -0.082 0.000 1.148 310 N CA 0.159 53.177 53.050 -0.054 0.000 0.883 310 N CB -0.289 38.172 38.487 -0.043 0.000 1.012 310 N HN 0.045 nan 8.380 nan 0.000 0.507 311 V N 0.527 120.359 119.914 -0.136 0.000 2.469 311 V HA -0.110 4.009 4.120 -0.001 0.000 0.251 311 V C 2.239 178.125 176.094 -0.347 0.000 1.064 311 V CA 2.067 64.234 62.300 -0.220 0.000 1.066 311 V CB -0.889 30.784 31.823 -0.250 0.000 0.667 311 V HN 0.454 nan 8.190 nan 0.000 0.461 312 A N -0.226 122.377 122.820 -0.363 0.000 1.873 312 A HA -0.009 4.311 4.320 -0.001 0.000 0.215 312 A C 2.408 180.017 177.584 0.041 0.000 1.186 312 A CA 2.046 53.969 52.037 -0.191 0.000 0.616 312 A CB -1.000 17.990 19.000 -0.016 0.000 0.823 312 A HN 0.789 nan 8.150 nan 0.000 0.442 313 A N -0.684 122.143 122.820 0.013 0.000 1.929 313 A HA -0.080 4.239 4.320 -0.001 0.000 0.216 313 A C 2.217 179.833 177.584 0.053 0.000 1.176 313 A CA 1.159 53.224 52.037 0.046 0.000 0.628 313 A CB -0.383 18.629 19.000 0.021 0.000 0.816 313 A HN 0.410 nan 8.150 nan 0.000 0.444 314 R N 0.058 120.582 120.500 0.040 0.000 2.075 314 R HA -0.042 4.298 4.340 -0.001 0.000 0.232 314 R C 2.347 178.686 176.300 0.066 0.000 1.126 314 R CA 1.532 57.712 56.100 0.135 0.000 0.963 314 R CB -0.877 29.497 30.300 0.124 0.000 0.858 314 R HN 0.514 nan 8.270 nan 0.000 0.435 315 S N 1.317 116.997 115.700 -0.033 0.000 2.383 315 S HA -0.109 4.360 4.470 -0.001 0.000 0.227 315 S C 1.325 175.781 174.600 -0.239 0.000 1.026 315 S CA 1.245 59.335 58.200 -0.183 0.000 0.981 315 S CB -0.188 63.051 63.200 0.065 0.000 0.818 315 S HN 0.257 nan 8.310 nan 0.000 0.472 316 D N 1.630 122.075 120.400 0.074 0.000 2.116 316 D HA -0.082 4.558 4.640 -0.001 0.000 0.193 316 D C 1.903 178.190 176.300 -0.021 0.000 0.998 316 D CA 0.880 54.981 54.000 0.168 0.000 0.836 316 D CB -0.403 40.518 40.800 0.202 0.000 0.951 316 D HN 0.287 nan 8.370 nan 0.000 0.449 317 L N -0.107 121.080 121.223 -0.059 0.000 2.005 317 L HA -0.155 4.185 4.340 -0.001 0.000 0.207 317 L C 2.433 179.108 176.870 -0.326 0.000 1.072 317 L CA 0.541 55.324 54.840 -0.096 0.000 0.744 317 L CB -0.271 41.810 42.059 0.037 0.000 0.895 317 L HN 0.086 nan 8.230 nan 0.000 0.433 318 L N -0.588 120.256 121.223 -0.631 0.000 2.017 318 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 318 L C 2.357 178.546 176.870 -1.135 0.000 1.073 318 L CA 1.600 55.740 54.840 -1.166 0.000 0.745 318 L CB -0.404 40.655 42.059 -1.667 0.000 0.894 318 L HN -0.073 nan 8.230 nan 0.000 0.432 319 V N -0.044 119.307 119.914 -0.938 0.000 2.469 319 V HA -0.316 3.804 4.120 -0.001 0.000 0.251 319 V C 2.290 178.187 176.094 -0.328 0.000 1.064 319 V CA 1.939 63.822 62.300 -0.695 0.000 1.066 319 V CB -0.815 30.495 31.823 -0.854 0.000 0.667 319 V HN 0.610 nan 8.190 nan 0.000 0.461 320 D N -0.864 119.402 120.400 -0.224 0.000 2.117 320 D HA -0.190 4.450 4.640 -0.001 0.000 0.198 320 D C 2.228 178.490 176.300 -0.065 0.000 0.982 320 D CA 1.052 55.042 54.000 -0.017 0.000 0.828 320 D CB -0.025 40.820 40.800 0.074 0.000 0.967 320 D HN 0.279 nan 8.370 nan 0.000 0.464 321 Q N -0.316 119.381 119.800 -0.171 0.000 2.061 321 Q HA -0.168 4.172 4.340 -0.001 0.000 0.204 321 Q C 2.152 178.148 176.000 -0.007 0.000 0.984 321 Q CA 1.112 56.831 55.803 -0.140 0.000 0.846 321 Q CB -0.706 27.887 28.738 -0.241 0.000 0.902 321 Q HN 0.549 nan 8.270 nan 0.000 0.421 322 W N 1.393 122.571 121.300 -0.203 0.000 2.335 322 W HA -0.117 4.543 4.660 -0.001 0.000 0.311 322 W C 2.175 178.572 176.519 -0.204 0.000 1.213 322 W CA 0.828 58.058 57.345 -0.191 0.000 1.274 322 W CB -0.756 28.563 29.460 -0.235 0.000 1.148 322 W HN 0.226 nan 8.180 nan 0.000 0.498 323 K N 0.107 120.460 120.400 -0.080 0.000 2.148 323 K HA -0.153 4.167 4.320 -0.001 0.000 0.204 323 K C 1.965 178.402 176.600 -0.272 0.000 1.050 323 K CA 1.323 57.407 56.287 -0.337 0.000 0.942 323 K CB -0.199 31.784 32.500 -0.861 0.000 0.724 323 K HN 0.062 nan 8.250 nan 0.000 0.446 324 K N 0.945 121.268 120.400 -0.130 0.000 2.002 324 K HA -0.161 4.159 4.320 -0.001 0.000 0.209 324 K C 2.089 178.743 176.600 0.091 0.000 1.048 324 K CA 1.313 57.644 56.287 0.074 0.000 0.930 324 K CB -0.038 32.520 32.500 0.098 0.000 0.714 324 K HN 0.007 nan 8.250 nan 0.000 0.438 325 K N 0.786 121.251 120.400 0.108 0.000 2.074 325 K HA -0.180 4.139 4.320 -0.001 0.000 0.209 325 K C 2.074 178.800 176.600 0.211 0.000 1.048 325 K CA 1.459 57.853 56.287 0.179 0.000 0.926 325 K CB -0.166 32.475 32.500 0.234 0.000 0.713 325 K HN 0.173 nan 8.250 nan 0.000 0.444 326 A N 1.259 124.180 122.820 0.170 0.000 2.024 326 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 326 A C 1.742 179.490 177.584 0.273 0.000 1.164 326 A CA 1.502 53.674 52.037 0.226 0.000 0.643 326 A CB -0.369 18.711 19.000 0.134 0.000 0.806 326 A HN 0.342 nan 8.150 nan 0.000 0.451 327 E N -0.095 120.237 120.200 0.220 0.000 2.338 327 E HA -0.078 4.272 4.350 -0.001 0.000 0.197 327 E C 1.612 178.329 176.600 0.194 0.000 1.007 327 E CA 0.610 57.150 56.400 0.233 0.000 0.849 327 E CB -0.214 29.647 29.700 0.267 0.000 0.774 327 E HN 0.719 nan 8.360 nan 0.000 0.506 328 L N -0.544 120.743 121.223 0.106 0.000 2.558 328 L HA 0.042 4.382 4.340 -0.001 0.000 0.225 328 L C 0.216 176.870 176.870 -0.359 0.000 1.128 328 L CA 0.284 55.051 54.840 -0.122 0.000 0.868 328 L CB -0.033 41.822 42.059 -0.339 0.000 1.006 328 L HN 0.004 nan 8.230 nan 0.000 0.454 329 Y N -1.672 118.708 120.300 0.134 0.000 2.633 329 Y HA 0.380 4.929 4.550 -0.001 0.000 0.339 329 Y C 1.096 177.114 175.900 0.198 0.000 1.045 329 Y CA -0.991 57.210 58.100 0.168 0.000 1.098 329 Y CB 1.167 39.736 38.460 0.182 0.000 1.296 329 Y HN -0.285 nan 8.280 nan 0.000 0.494 330 R N -0.611 120.139 120.500 0.418 0.000 2.265 330 R HA 0.109 4.449 4.340 -0.001 0.000 0.194 330 R C 0.259 176.695 176.300 0.227 0.000 0.931 330 R CA 0.678 56.932 56.100 0.258 0.000 1.032 330 R CB 0.344 30.737 30.300 0.155 0.000 0.980 330 R HN 0.749 nan 8.270 nan 0.000 0.497 331 T N -0.786 113.942 114.554 0.291 0.000 2.937 331 T HA 0.093 4.443 4.350 -0.001 0.000 0.283 331 T C 0.699 175.545 174.700 0.244 0.000 1.012 331 T CA -0.935 61.302 62.100 0.227 0.000 0.997 331 T CB 1.227 70.205 68.868 0.183 0.000 1.136 331 T HN 0.073 nan 8.240 nan 0.000 0.551 332 N N 0.112 118.928 118.700 0.193 0.000 2.362 332 N HA 0.092 4.831 4.740 -0.001 0.000 0.211 332 N C -0.627 174.860 175.510 -0.038 0.000 1.170 332 N CA -0.316 52.803 53.050 0.116 0.000 0.828 332 N CB -0.303 38.165 38.487 -0.031 0.000 1.034 332 N HN 0.389 nan 8.380 nan 0.000 0.475 333 V N 1.260 121.189 119.914 0.024 0.000 2.409 333 V HA 0.403 4.522 4.120 -0.001 0.000 0.291 333 V C -0.607 175.577 176.094 0.151 0.000 1.020 333 V CA -1.006 61.312 62.300 0.030 0.000 0.848 333 V CB 1.490 33.301 31.823 -0.021 0.000 0.990 333 V HN 0.162 nan 8.190 nan 0.000 0.430 334 L N 5.789 127.034 121.223 0.036 0.000 2.333 334 L HA 0.672 5.011 4.340 -0.001 0.000 0.280 334 L C -0.785 175.942 176.870 -0.238 0.000 1.004 334 L CA -0.462 54.316 54.840 -0.103 0.000 0.820 334 L CB 1.581 43.483 42.059 -0.262 0.000 1.247 334 L HN 0.635 nan 8.230 nan 0.000 0.416 335 L N 6.456 127.322 121.223 -0.595 0.000 2.290 335 L HA 0.501 4.840 4.340 -0.001 0.000 0.284 335 L C -0.849 175.758 176.870 -0.440 0.000 1.078 335 L CA 0.282 54.630 54.840 -0.819 0.000 0.815 335 L CB 0.584 41.719 42.059 -1.539 0.000 1.162 335 L HN 0.449 nan 8.230 nan 0.000 0.435 336 I N 7.403 127.792 120.570 -0.301 0.000 2.555 336 I HA 0.309 4.479 4.170 -0.001 0.000 0.275 336 I C -2.266 173.851 176.117 -0.001 0.000 1.082 336 I CA -2.123 59.098 61.300 -0.132 0.000 1.167 336 I CB 0.854 38.754 38.000 -0.167 0.000 1.312 336 I HN 0.414 nan 8.210 nan 0.000 0.493 337 P HA 0.061 nan 4.420 nan 0.000 0.264 337 P C -0.336 177.158 177.300 0.323 0.000 1.183 337 P CA -0.059 63.200 63.100 0.265 0.000 0.763 337 P CB 0.697 32.590 31.700 0.321 0.000 0.807 338 L N 3.927 125.363 121.223 0.355 0.000 2.417 338 L HA 0.753 5.093 4.340 -0.001 0.000 0.259 338 L C 0.127 177.041 176.870 0.073 0.000 1.023 338 L CA 0.408 55.375 54.840 0.212 0.000 0.901 338 L CB 0.415 42.535 42.059 0.102 0.000 1.227 338 L HN 0.619 nan 8.230 nan 0.000 0.454 339 G N 1.867 110.608 108.800 -0.098 0.000 2.340 339 G HA2 0.452 4.411 3.960 -0.001 0.000 0.299 339 G HA3 0.452 4.411 3.960 -0.001 0.000 0.299 339 G C -2.143 172.679 174.900 -0.130 0.000 1.291 339 G CA -0.262 44.573 45.100 -0.442 0.000 0.841 339 G HN 0.378 nan 8.290 nan 0.000 0.500 340 D N -1.803 118.577 120.400 -0.034 0.000 2.879 340 D HA 0.295 4.935 4.640 -0.001 0.000 0.346 340 D C -1.569 174.884 176.300 0.255 0.000 1.390 340 D CA -0.451 53.692 54.000 0.238 0.000 0.838 340 D CB 1.413 42.298 40.800 0.141 0.000 1.416 340 D HN 0.220 nan 8.370 nan 0.000 0.493 341 D N 0.340 120.939 120.400 0.331 0.000 2.417 341 D HA 0.218 4.857 4.640 -0.001 0.000 0.250 341 D C 0.229 176.693 176.300 0.274 0.000 1.166 341 D CA 0.467 54.651 54.000 0.307 0.000 0.881 341 D CB -0.253 40.825 40.800 0.462 0.000 1.164 341 D HN 0.322 nan 8.370 nan 0.000 0.467 342 F N 0.360 120.384 119.950 0.124 0.000 3.079 342 F HA -0.310 4.217 4.527 -0.000 0.000 0.274 342 F C 1.129 176.974 175.800 0.074 0.000 0.940 342 F CA 0.629 58.674 58.000 0.074 0.000 0.932 342 F CB -0.927 38.103 39.000 0.050 0.000 0.891 342 F HN 0.217 nan 8.300 nan 0.000 0.722 343 R N -0.486 120.109 120.500 0.158 0.000 2.649 343 R HA 0.440 4.780 4.340 -0.001 0.000 0.270 343 R C 0.732 177.074 176.300 0.069 0.000 1.105 343 R CA -0.727 55.357 56.100 -0.027 0.000 1.193 343 R CB -0.118 30.067 30.300 -0.192 0.000 1.120 343 R HN 0.203 nan 8.270 nan 0.000 0.561 344 F N -0.778 119.000 119.950 -0.286 0.000 3.071 344 F HA -0.273 4.254 4.527 -0.001 0.000 0.295 344 F C 1.382 177.141 175.800 -0.068 0.000 0.919 344 F CA 1.046 58.688 58.000 -0.596 0.000 1.050 344 F CB -1.068 37.275 39.000 -1.095 0.000 1.040 344 F HN 0.602 nan 8.300 nan 0.000 0.692 345 K N -0.031 120.425 120.400 0.093 0.000 2.128 345 K HA 0.043 4.363 4.320 -0.001 0.000 0.202 345 K C 0.601 177.341 176.600 0.234 0.000 1.050 345 K CA 0.939 57.350 56.287 0.207 0.000 0.966 345 K CB 0.236 32.828 32.500 0.154 0.000 0.759 345 K HN 0.461 nan 8.250 nan 0.000 0.454 346 Q N 0.598 120.503 119.800 0.175 0.000 2.230 346 Q HA 0.098 4.438 4.340 -0.001 0.000 0.253 346 Q C 0.055 176.246 176.000 0.318 0.000 0.919 346 Q CA -0.448 55.493 55.803 0.231 0.000 0.908 346 Q CB 1.610 30.519 28.738 0.286 0.000 1.245 346 Q HN 0.121 nan 8.270 nan 0.000 0.437 347 N N 1.179 120.063 118.700 0.307 0.000 2.049 347 N HA -0.268 4.472 4.740 -0.001 0.000 0.198 347 N C 1.456 177.145 175.510 0.298 0.000 1.030 347 N CA 2.695 55.956 53.050 0.351 0.000 0.870 347 N CB -0.101 38.563 38.487 0.295 0.000 1.045 347 N HN 0.790 nan 8.380 nan 0.000 0.434 348 T N -2.389 112.337 114.554 0.287 0.000 2.915 348 T HA -0.104 4.246 4.350 -0.001 0.000 0.269 348 T C 1.684 176.583 174.700 0.331 0.000 1.071 348 T CA 1.337 63.618 62.100 0.302 0.000 1.132 348 T CB -0.448 68.588 68.868 0.280 0.000 0.878 348 T HN 0.440 nan 8.240 nan 0.000 0.479 349 E N 0.107 120.450 120.200 0.239 0.000 2.058 349 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 349 E C 1.838 178.336 176.600 -0.169 0.000 0.997 349 E CA 1.234 57.511 56.400 -0.205 0.000 0.801 349 E CB -0.336 29.039 29.700 -0.543 0.000 0.746 349 E HN 0.709 nan 8.360 nan 0.000 0.450 350 W N 1.716 122.911 121.300 -0.175 0.000 2.302 350 W HA -0.237 4.422 4.660 -0.001 0.000 0.320 350 W C 2.271 178.742 176.519 -0.081 0.000 1.241 350 W CA 1.456 58.683 57.345 -0.196 0.000 1.264 350 W CB -0.450 28.477 29.460 -0.888 0.000 1.154 350 W HN 0.212 nan 8.180 nan 0.000 0.483 351 D N -0.534 119.990 120.400 0.207 0.000 2.097 351 D HA -0.182 4.458 4.640 -0.001 0.000 0.195 351 D C 2.253 178.636 176.300 0.138 0.000 0.989 351 D CA 1.642 55.766 54.000 0.207 0.000 0.827 351 D CB -1.033 39.896 40.800 0.215 0.000 0.966 351 D HN 0.039 nan 8.370 nan 0.000 0.456 352 V N 1.055 121.043 119.914 0.122 0.000 2.427 352 V HA -0.207 3.912 4.120 -0.001 0.000 0.248 352 V C 2.301 178.423 176.094 0.047 0.000 1.051 352 V CA 1.521 63.871 62.300 0.084 0.000 1.048 352 V CB -0.081 31.844 31.823 0.169 0.000 0.666 352 V HN 0.152 nan 8.190 nan 0.000 0.456 353 Q N -0.287 119.577 119.800 0.107 0.000 2.016 353 Q HA -0.204 4.136 4.340 -0.001 0.000 0.200 353 Q C 2.341 178.520 176.000 0.299 0.000 0.978 353 Q CA 1.969 57.920 55.803 0.247 0.000 0.833 353 Q CB -0.503 28.354 28.738 0.199 0.000 0.895 353 Q HN 0.612 nan 8.270 nan 0.000 0.427 354 R N 0.440 121.082 120.500 0.236 0.000 2.070 354 R HA -0.113 4.227 4.340 -0.001 0.000 0.233 354 R C 2.262 178.713 176.300 0.252 0.000 1.137 354 R CA 1.465 57.744 56.100 0.297 0.000 0.945 354 R CB -0.125 30.301 30.300 0.210 0.000 0.845 354 R HN 0.065 nan 8.270 nan 0.000 0.430 355 V N 1.907 121.885 119.914 0.107 0.000 2.358 355 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 355 V C 2.027 178.054 176.094 -0.113 0.000 1.047 355 V CA 1.865 64.180 62.300 0.026 0.000 1.035 355 V CB -0.602 31.228 31.823 0.012 0.000 0.658 355 V HN 0.442 nan 8.190 nan 0.000 0.452 356 N N -0.662 117.860 118.700 -0.297 0.000 2.120 356 N HA -0.174 4.566 4.740 -0.001 0.000 0.188 356 N C 1.852 177.039 175.510 -0.539 0.000 1.024 356 N CA 1.666 54.327 53.050 -0.647 0.000 0.852 356 N CB -0.351 37.163 38.487 -1.621 0.000 1.003 356 N HN 0.516 nan 8.380 nan 0.000 0.424 357 Y N 1.932 122.024 120.300 -0.348 0.000 2.224 357 Y HA -0.097 4.452 4.550 -0.001 0.000 0.289 357 Y C 2.357 177.722 175.900 -0.892 0.000 1.146 357 Y CA 1.119 58.904 58.100 -0.524 0.000 1.182 357 Y CB -0.081 38.185 38.460 -0.323 0.000 0.983 357 Y HN 0.158 nan 8.280 nan 0.000 0.524 358 E N -0.381 119.654 120.200 -0.275 0.000 2.106 358 E HA -0.193 4.157 4.350 -0.001 0.000 0.192 358 E C 2.208 178.762 176.600 -0.077 0.000 0.984 358 E CA 0.790 57.113 56.400 -0.129 0.000 0.806 358 E CB -0.115 29.659 29.700 0.124 0.000 0.750 358 E HN 0.456 nan 8.360 nan 0.000 0.458 359 R N 0.468 120.903 120.500 -0.109 0.000 2.081 359 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 359 R C 2.440 178.716 176.300 -0.039 0.000 1.131 359 R CA 1.017 57.081 56.100 -0.061 0.000 0.960 359 R CB -0.317 29.926 30.300 -0.094 0.000 0.856 359 R HN 0.153 nan 8.270 nan 0.000 0.436 360 L N -0.409 120.726 121.223 -0.147 0.000 2.017 360 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 360 L C 2.194 179.129 176.870 0.107 0.000 1.073 360 L CA 1.184 55.975 54.840 -0.081 0.000 0.745 360 L CB -0.480 41.449 42.059 -0.216 0.000 0.894 360 L HN 0.078 nan 8.230 nan 0.000 0.432 361 F N 0.368 120.343 119.950 0.042 0.000 2.095 361 F HA -0.246 4.280 4.527 -0.000 0.000 0.298 361 F C 2.661 178.478 175.800 0.028 0.000 1.104 361 F CA 1.483 59.497 58.000 0.022 0.000 1.232 361 F CB -1.070 37.897 39.000 -0.054 0.000 0.987 361 F HN 0.221 nan 8.300 nan 0.000 0.475 362 E N -0.728 119.609 120.200 0.230 0.000 2.058 362 E HA -0.299 4.051 4.350 -0.001 0.000 0.194 362 E C 2.228 178.917 176.600 0.149 0.000 0.997 362 E CA 1.585 58.077 56.400 0.153 0.000 0.801 362 E CB -0.275 29.497 29.700 0.120 0.000 0.746 362 E HN 0.527 nan 8.360 nan 0.000 0.450 363 H N 0.185 119.308 119.070 0.089 0.000 2.299 363 H HA -0.069 4.487 4.556 -0.001 0.000 0.302 363 H C 2.079 177.493 175.328 0.143 0.000 1.078 363 H CA 2.253 58.361 56.048 0.100 0.000 1.323 363 H CB -0.206 29.611 29.762 0.092 0.000 1.381 363 H HN 0.154 nan 8.280 nan 0.000 0.498 364 I N 0.547 121.226 120.570 0.182 0.000 2.163 364 I HA -0.324 3.846 4.170 -0.001 0.000 0.243 364 I C 1.731 177.900 176.117 0.087 0.000 1.085 364 I CA 1.531 62.916 61.300 0.142 0.000 1.347 364 I CB -0.327 37.705 38.000 0.052 0.000 1.044 364 I HN 0.390 nan 8.210 nan 0.000 0.408 365 N N 0.275 119.009 118.700 0.056 0.000 2.381 365 N HA -0.107 4.633 4.740 -0.001 0.000 0.182 365 N C 1.748 177.247 175.510 -0.020 0.000 1.025 365 N CA 1.475 54.527 53.050 0.002 0.000 0.888 365 N CB -0.281 38.196 38.487 -0.017 0.000 0.965 365 N HN 0.419 nan 8.380 nan 0.000 0.438 366 S N -1.008 114.671 115.700 -0.035 0.000 2.540 366 S HA 0.160 4.630 4.470 -0.001 0.000 0.218 366 S C 0.469 175.007 174.600 -0.103 0.000 0.977 366 S CA -0.285 57.883 58.200 -0.054 0.000 0.918 366 S CB 0.309 63.489 63.200 -0.033 0.000 0.806 366 S HN -0.049 nan 8.310 nan 0.000 0.496 367 Q N 1.438 121.146 119.800 -0.154 0.000 2.456 367 Q HA 0.540 4.880 4.340 -0.001 0.000 0.234 367 Q C 1.008 176.864 176.000 -0.240 0.000 1.061 367 Q CA 0.071 55.730 55.803 -0.241 0.000 0.896 367 Q CB 1.143 29.625 28.738 -0.427 0.000 1.233 367 Q HN 0.449 nan 8.270 nan 0.000 0.506 368 A N 2.686 125.430 122.820 -0.128 0.000 1.948 368 A HA -0.275 4.045 4.320 -0.001 0.000 0.220 368 A C 1.634 179.161 177.584 -0.095 0.000 1.177 368 A CA 2.232 54.224 52.037 -0.075 0.000 0.636 368 A CB -0.741 18.248 19.000 -0.018 0.000 0.815 368 A HN 0.893 nan 8.150 nan 0.000 0.449 369 H N -3.226 115.769 119.070 -0.124 0.000 2.489 369 H HA -0.056 4.500 4.556 -0.001 0.000 0.295 369 H C 1.292 176.570 175.328 -0.084 0.000 1.082 369 H CA 1.550 57.514 56.048 -0.140 0.000 1.295 369 H CB -0.582 29.043 29.762 -0.229 0.000 1.380 369 H HN 0.413 nan 8.280 nan 0.000 0.548 370 F N 1.015 120.680 119.950 -0.475 0.000 2.456 370 F HA 0.042 4.569 4.527 -0.001 0.000 0.298 370 F C 0.707 176.457 175.800 -0.084 0.000 1.104 370 F CA 0.378 58.239 58.000 -0.231 0.000 1.435 370 F CB -0.385 38.454 39.000 -0.269 0.000 1.078 370 F HN 0.177 nan 8.300 nan 0.000 0.546 371 N N 0.934 119.683 118.700 0.082 0.000 2.699 371 N HA -0.180 4.560 4.740 -0.001 0.000 0.256 371 N C -0.908 174.591 175.510 -0.017 0.000 0.993 371 N CA 0.439 53.517 53.050 0.047 0.000 0.759 371 N CB -1.303 37.244 38.487 0.100 0.000 0.906 371 N HN 0.025 nan 8.380 nan 0.000 0.541 372 V N 0.689 120.588 119.914 -0.025 0.000 2.656 372 V HA 0.334 4.453 4.120 -0.001 0.000 0.307 372 V C 0.144 176.160 176.094 -0.130 0.000 1.051 372 V CA -0.689 61.544 62.300 -0.112 0.000 0.893 372 V CB 2.426 34.218 31.823 -0.052 0.000 0.999 372 V HN 0.194 nan 8.190 nan 0.000 0.426 373 Q N 3.270 122.932 119.800 -0.230 0.000 2.381 373 Q HA 0.750 5.090 4.340 -0.001 0.000 0.263 373 Q C -0.742 174.990 176.000 -0.446 0.000 1.030 373 Q CA -0.109 55.530 55.803 -0.272 0.000 0.772 373 Q CB 1.579 30.167 28.738 -0.251 0.000 1.232 373 Q HN 0.984 nan 8.270 nan 0.000 0.476 374 A N 4.285 126.825 122.820 -0.466 0.000 2.350 374 A HA 0.900 5.219 4.320 -0.001 0.000 0.324 374 A C -1.182 175.725 177.584 -1.128 0.000 1.118 374 A CA -0.539 51.045 52.037 -0.756 0.000 0.783 374 A CB 1.243 19.963 19.000 -0.467 0.000 1.236 374 A HN 0.762 nan 8.150 nan 0.000 0.457 375 Q N 0.990 120.012 119.800 -1.297 0.000 2.575 375 Q HA 0.479 4.819 4.340 -0.001 0.000 0.290 375 Q C -1.629 173.908 176.000 -0.771 0.000 0.963 375 Q CA -0.701 54.396 55.803 -1.177 0.000 0.783 375 Q CB 0.527 28.946 28.738 -0.532 0.000 1.467 375 Q HN 0.386 nan 8.270 nan 0.000 0.402 376 F N 0.504 120.379 119.950 -0.126 0.000 2.518 376 F HA 0.609 5.136 4.527 -0.000 0.000 0.359 376 F C 1.225 177.084 175.800 0.097 0.000 1.118 376 F CA 1.337 59.387 58.000 0.083 0.000 1.287 376 F CB 0.820 39.922 39.000 0.169 0.000 1.132 376 F HN 0.726 nan 8.300 nan 0.000 0.587 377 G N 0.328 109.320 108.800 0.320 0.000 2.708 377 G HA2 0.599 4.558 3.960 -0.001 0.000 0.289 377 G HA3 0.599 4.558 3.960 -0.001 0.000 0.289 377 G C -0.985 173.922 174.900 0.012 0.000 1.416 377 G CA -0.712 44.509 45.100 0.201 0.000 0.829 377 G HN 0.711 nan 8.290 nan 0.000 0.480 378 T N -1.626 112.859 114.554 -0.115 0.000 2.897 378 T HA 0.433 4.782 4.350 -0.001 0.000 0.278 378 T C 1.373 175.927 174.700 -0.243 0.000 0.981 378 T CA -0.452 61.541 62.100 -0.178 0.000 0.973 378 T CB 1.382 70.155 68.868 -0.158 0.000 1.092 378 T HN 0.494 nan 8.240 nan 0.000 0.543 379 L N 0.424 121.503 121.223 -0.239 0.000 2.056 379 L HA 0.032 4.371 4.340 -0.001 0.000 0.207 379 L C 2.761 179.589 176.870 -0.070 0.000 1.078 379 L CA 1.903 56.630 54.840 -0.188 0.000 0.749 379 L CB -1.161 40.827 42.059 -0.120 0.000 0.901 379 L HN 0.873 nan 8.230 nan 0.000 0.433 380 Q N -0.036 119.746 119.800 -0.030 0.000 2.124 380 Q HA -0.235 4.105 4.340 -0.001 0.000 0.202 380 Q C 2.157 178.091 176.000 -0.111 0.000 0.977 380 Q CA 1.966 57.783 55.803 0.024 0.000 0.850 380 Q CB -0.231 28.497 28.738 -0.018 0.000 0.901 380 Q HN 0.618 nan 8.270 nan 0.000 0.429 381 E N -1.297 118.749 120.200 -0.256 0.000 2.085 381 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 381 E C 1.685 177.838 176.600 -0.745 0.000 0.994 381 E CA 1.278 57.392 56.400 -0.477 0.000 0.801 381 E CB -0.274 29.066 29.700 -0.600 0.000 0.743 381 E HN 0.511 nan 8.360 nan 0.000 0.453 382 Y N 0.228 120.020 120.300 -0.846 0.000 2.089 382 Y HA -0.269 4.280 4.550 -0.001 0.000 0.282 382 Y C 1.868 177.460 175.900 -0.514 0.000 1.139 382 Y CA 1.749 59.374 58.100 -0.792 0.000 1.123 382 Y CB -0.559 37.459 38.460 -0.737 0.000 0.980 382 Y HN -0.016 nan 8.280 nan 0.000 0.493 383 F N 1.068 120.764 119.950 -0.424 0.000 2.126 383 F HA -0.215 4.312 4.527 -0.001 0.000 0.299 383 F C 2.246 177.823 175.800 -0.372 0.000 1.096 383 F CA 1.810 59.547 58.000 -0.438 0.000 1.255 383 F CB -0.966 37.966 39.000 -0.114 0.000 0.997 383 F HN 0.124 nan 8.300 nan 0.000 0.479 384 D N 0.015 120.358 120.400 -0.095 0.000 2.104 384 D HA -0.179 4.460 4.640 -0.001 0.000 0.194 384 D C 2.366 178.585 176.300 -0.135 0.000 0.994 384 D CA 1.625 55.575 54.000 -0.084 0.000 0.830 384 D CB -0.674 40.064 40.800 -0.103 0.000 0.959 384 D HN 0.237 nan 8.370 nan 0.000 0.452 385 A N 0.416 123.095 122.820 -0.236 0.000 1.930 385 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 385 A C 2.536 179.993 177.584 -0.212 0.000 1.175 385 A CA 1.021 52.960 52.037 -0.164 0.000 0.627 385 A CB -0.696 18.269 19.000 -0.058 0.000 0.815 385 A HN 0.137 nan 8.150 nan 0.000 0.443 386 V N -0.070 119.583 119.914 -0.435 0.000 2.287 386 V HA -0.279 3.841 4.120 -0.001 0.000 0.248 386 V C 2.467 178.378 176.094 -0.304 0.000 1.053 386 V CA 2.214 64.249 62.300 -0.442 0.000 1.027 386 V CB -1.005 30.363 31.823 -0.758 0.000 0.646 386 V HN 0.654 nan 8.190 nan 0.000 0.447 387 H N -0.202 118.750 119.070 -0.197 0.000 2.423 387 H HA -0.099 4.457 4.556 -0.001 0.000 0.297 387 H C 2.431 177.724 175.328 -0.058 0.000 1.075 387 H CA 1.489 57.457 56.048 -0.133 0.000 1.342 387 H CB -0.158 29.488 29.762 -0.194 0.000 1.395 387 H HN 0.570 nan 8.280 nan 0.000 0.530 388 Q N 0.323 120.140 119.800 0.029 0.000 2.061 388 Q HA -0.122 4.218 4.340 -0.001 0.000 0.204 388 Q C 2.591 178.607 176.000 0.026 0.000 0.984 388 Q CA 1.468 57.282 55.803 0.018 0.000 0.846 388 Q CB -0.104 28.632 28.738 -0.003 0.000 0.902 388 Q HN 0.412 nan 8.270 nan 0.000 0.421 389 A N 1.159 123.988 122.820 0.016 0.000 1.883 389 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 389 A C 1.957 179.568 177.584 0.046 0.000 1.186 389 A CA 1.712 53.773 52.037 0.039 0.000 0.624 389 A CB -0.673 18.353 19.000 0.043 0.000 0.822 389 A HN 0.470 nan 8.150 nan 0.000 0.444 390 E N -0.272 119.968 120.200 0.067 0.000 2.033 390 E HA -0.259 4.090 4.350 -0.001 0.000 0.199 390 E C 2.220 178.856 176.600 0.060 0.000 1.011 390 E CA 1.497 57.946 56.400 0.081 0.000 0.815 390 E CB -0.176 29.677 29.700 0.255 0.000 0.755 390 E HN 0.566 nan 8.360 nan 0.000 0.451 391 R N -0.471 120.070 120.500 0.069 0.000 2.193 391 R HA -0.061 4.279 4.340 -0.001 0.000 0.229 391 R C 1.825 178.144 176.300 0.031 0.000 1.110 391 R CA 0.745 56.873 56.100 0.045 0.000 0.988 391 R CB -0.078 30.244 30.300 0.037 0.000 0.871 391 R HN 0.138 nan 8.270 nan 0.000 0.458 392 A N 0.136 122.976 122.820 0.033 0.000 2.302 392 A HA 0.252 4.571 4.320 -0.001 0.000 0.219 392 A C 1.253 178.851 177.584 0.024 0.000 1.243 392 A CA 0.553 52.608 52.037 0.030 0.000 0.856 392 A CB -0.057 18.967 19.000 0.040 0.000 0.893 392 A HN 0.397 nan 8.150 nan 0.000 0.491 393 G N -0.541 108.268 108.800 0.016 0.000 2.153 393 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.252 393 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.252 393 G C 0.806 175.702 174.900 -0.006 0.000 0.994 393 G CA 0.708 45.809 45.100 0.002 0.000 0.698 393 G HN 0.669 nan 8.290 nan 0.000 0.521 394 Q N -0.420 119.382 119.800 0.004 0.000 2.389 394 Q HA 0.516 4.856 4.340 -0.001 0.000 0.204 394 Q C 0.936 176.918 176.000 -0.030 0.000 0.944 394 Q CA 1.405 57.217 55.803 0.015 0.000 0.908 394 Q CB 0.024 28.806 28.738 0.074 0.000 1.002 394 Q HN 1.458 nan 8.270 nan 0.000 0.493 395 A N 1.133 123.889 122.820 -0.106 0.000 2.577 395 A HA 0.416 4.736 4.320 -0.001 0.000 0.297 395 A C -1.606 175.746 177.584 -0.386 0.000 1.060 395 A CA -0.903 50.977 52.037 -0.260 0.000 0.697 395 A CB 1.140 19.929 19.000 -0.351 0.000 1.281 395 A HN 0.336 nan 8.150 nan 0.000 0.402 396 E N 1.355 121.325 120.200 -0.385 0.000 2.238 396 E HA 0.757 5.107 4.350 -0.001 0.000 0.267 396 E C -1.656 174.736 176.600 -0.347 0.000 0.887 396 E CA -0.578 55.639 56.400 -0.306 0.000 0.769 396 E CB 1.679 31.327 29.700 -0.086 0.000 1.187 396 E HN 0.334 nan 8.360 nan 0.000 0.416 397 F N 1.787 121.843 119.950 0.178 0.000 2.425 397 F HA 0.407 4.934 4.527 0.000 0.000 0.331 397 F C -1.821 174.077 175.800 0.164 0.000 1.085 397 F CA -2.328 55.798 58.000 0.210 0.000 1.028 397 F CB 0.970 40.170 39.000 0.332 0.000 1.177 397 F HN 0.348 nan 8.300 nan 0.000 0.487 398 P HA 0.195 nan 4.420 nan 0.000 0.276 398 P C -0.645 176.793 177.300 0.230 0.000 1.244 398 P CA -0.409 62.821 63.100 0.216 0.000 0.801 398 P CB 0.881 32.679 31.700 0.163 0.000 1.006 399 T N -0.420 114.223 114.554 0.148 0.000 2.922 399 T HA 0.678 5.028 4.350 -0.001 0.000 0.285 399 T C -0.217 174.512 174.700 0.048 0.000 1.005 399 T CA -0.773 61.406 62.100 0.130 0.000 1.061 399 T CB 0.995 69.918 68.868 0.091 0.000 1.007 399 T HN 0.471 nan 8.240 nan 0.000 0.502 400 L N 1.415 122.665 121.223 0.044 0.000 2.466 400 L HA 0.717 5.057 4.340 -0.001 0.000 0.258 400 L C -0.764 176.102 176.870 -0.006 0.000 0.973 400 L CA -0.433 54.331 54.840 -0.127 0.000 0.826 400 L CB 2.201 43.943 42.059 -0.528 0.000 1.372 400 L HN 1.123 nan 8.230 nan 0.000 0.409 401 S N 2.270 117.920 115.700 -0.083 0.000 2.627 401 S HA 1.058 5.527 4.470 -0.001 0.000 0.283 401 S C -0.356 174.173 174.600 -0.118 0.000 1.127 401 S CA -0.018 58.189 58.200 0.011 0.000 0.863 401 S CB 2.013 65.181 63.200 -0.053 0.000 1.121 401 S HN 1.788 nan 8.310 nan 0.000 0.479 402 G N 0.960 109.740 108.800 -0.033 0.000 2.343 402 G HA2 0.320 4.280 3.960 -0.001 0.000 0.562 402 G HA3 0.320 4.280 3.960 -0.001 0.000 0.562 402 G C -1.726 173.083 174.900 -0.151 0.000 1.269 402 G CA -0.002 44.986 45.100 -0.188 0.000 1.011 402 G HN 1.323 nan 8.290 nan 0.000 0.498 403 D N -1.829 118.353 120.400 -0.364 0.000 2.687 403 D HA 0.757 5.397 4.640 -0.001 0.000 0.264 403 D C -0.628 175.212 176.300 -0.766 0.000 1.091 403 D CA -1.049 52.770 54.000 -0.303 0.000 1.123 403 D CB 1.122 41.912 40.800 -0.016 0.000 1.407 403 D HN 0.378 nan 8.370 nan 0.000 0.591 404 F N -0.504 119.329 119.950 -0.195 0.000 2.761 404 F HA 0.388 4.914 4.527 -0.001 0.000 0.367 404 F C -0.988 174.656 175.800 -0.260 0.000 1.386 404 F CA -0.649 57.238 58.000 -0.189 0.000 1.177 404 F CB 0.179 39.095 39.000 -0.140 0.000 1.092 404 F HN 0.011 nan 8.300 nan 0.000 0.517 405 F N -0.620 119.521 119.950 0.318 0.000 2.508 405 F HA 0.575 5.102 4.527 -0.000 0.000 0.325 405 F C 0.574 176.650 175.800 0.460 0.000 1.090 405 F CA -1.333 56.925 58.000 0.429 0.000 0.945 405 F CB 1.697 40.942 39.000 0.408 0.000 1.156 405 F HN -0.276 nan 8.300 nan 0.000 0.463 406 T N 2.127 117.085 114.554 0.674 0.000 2.795 406 T HA 0.178 4.527 4.350 -0.001 0.000 0.282 406 T C -1.026 174.150 174.700 0.794 0.000 0.980 406 T CA -0.293 62.265 62.100 0.764 0.000 1.012 406 T CB 0.261 69.447 68.868 0.531 0.000 0.936 406 T HN 0.369 nan 8.240 nan 0.000 0.457 407 Y N 3.173 123.809 120.300 0.559 0.000 2.620 407 Y HA 0.383 4.933 4.550 -0.001 0.000 0.330 407 Y C -0.086 175.859 175.900 0.074 0.000 1.186 407 Y CA -1.065 57.183 58.100 0.246 0.000 1.467 407 Y CB -0.048 38.441 38.460 0.048 0.000 1.262 407 Y HN 0.665 nan 8.280 nan 0.000 0.550 408 A N 5.530 127.949 122.820 -0.668 0.000 2.343 408 A HA 0.364 4.683 4.320 -0.001 0.000 0.308 408 A C 0.129 177.141 177.584 -0.953 0.000 1.092 408 A CA -0.276 51.174 52.037 -0.978 0.000 0.751 408 A CB 0.625 18.764 19.000 -1.434 0.000 1.203 408 A HN 0.800 nan 8.150 nan 0.000 0.452 409 D N 1.748 121.686 120.400 -0.768 0.000 2.333 409 D HA 0.034 4.674 4.640 -0.001 0.000 0.208 409 D C 0.528 176.848 176.300 0.033 0.000 0.984 409 D CA 0.531 54.341 54.000 -0.317 0.000 0.873 409 D CB 0.171 40.847 40.800 -0.207 0.000 0.935 409 D HN 0.721 nan 8.370 nan 0.000 0.521 410 R N -2.228 118.220 120.500 -0.087 0.000 2.687 410 R HA 0.407 4.747 4.340 -0.001 0.000 0.265 410 R C -0.189 175.998 176.300 -0.189 0.000 1.048 410 R CA -0.175 55.709 56.100 -0.361 0.000 0.884 410 R CB 0.875 31.038 30.300 -0.228 0.000 1.258 410 R HN -0.105 nan 8.270 nan 0.000 0.469 411 S N 0.297 115.837 115.700 -0.266 0.000 4.054 411 S HA -0.290 4.179 4.470 -0.001 0.000 0.618 411 S C 0.374 175.063 174.600 0.148 0.000 2.026 411 S CA 1.924 60.118 58.200 -0.009 0.000 4.205 411 S CB -1.127 62.052 63.200 -0.036 0.000 0.233 411 S HN 1.092 nan 8.310 nan 0.000 0.612 412 D N 1.397 121.870 120.400 0.123 0.000 2.463 412 D HA 0.204 4.844 4.640 -0.001 0.000 0.224 412 D C -0.022 176.397 176.300 0.198 0.000 1.174 412 D CA -0.172 53.971 54.000 0.239 0.000 0.829 412 D CB -1.454 39.463 40.800 0.196 0.000 0.993 412 D HN 0.517 nan 8.370 nan 0.000 0.497 413 N N 0.977 119.694 118.700 0.028 0.000 2.739 413 N HA 0.047 4.787 4.740 -0.001 0.000 0.266 413 N C -0.946 174.590 175.510 0.044 0.000 1.168 413 N CA -0.265 52.802 53.050 0.028 0.000 1.055 413 N CB 0.133 38.621 38.487 0.002 0.000 1.393 413 N HN 0.143 nan 8.380 nan 0.000 0.514 414 Y N 0.263 120.647 120.300 0.139 0.000 2.313 414 Y HA 0.129 4.678 4.550 -0.001 0.000 0.332 414 Y C 0.084 176.173 175.900 0.316 0.000 1.071 414 Y CA -0.737 57.504 58.100 0.235 0.000 1.169 414 Y CB 0.596 39.148 38.460 0.154 0.000 1.192 414 Y HN 0.398 nan 8.280 nan 0.000 0.487 415 W N 2.472 123.888 121.300 0.192 0.000 1.694 415 W HA 0.202 4.862 4.660 -0.000 0.000 0.425 415 W C 0.930 177.473 176.519 0.040 0.000 0.615 415 W CA -0.601 56.888 57.345 0.239 0.000 2.237 415 W CB -0.659 29.052 29.460 0.418 0.000 1.478 415 W HN 0.552 nan 8.180 nan 0.000 0.427 416 S N -2.038 113.685 115.700 0.038 0.000 2.535 416 S HA 0.110 4.580 4.470 -0.001 0.000 0.214 416 S C 2.012 176.350 174.600 -0.436 0.000 0.980 416 S CA 0.374 58.257 58.200 -0.529 0.000 0.907 416 S CB 0.058 63.260 63.200 0.003 0.000 0.790 416 S HN 0.337 nan 8.310 nan 0.000 0.510 417 G N 2.151 110.890 108.800 -0.101 0.000 2.421 417 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.216 417 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.216 417 G C 1.289 176.174 174.900 -0.024 0.000 1.171 417 G CA 1.002 46.066 45.100 -0.060 0.000 0.775 417 G HN 0.803 nan 8.290 nan 0.000 0.543 418 Y N -0.478 119.799 120.300 -0.039 0.000 2.616 418 Y HA 0.122 4.672 4.550 -0.001 0.000 0.296 418 Y C 1.924 177.947 175.900 0.206 0.000 1.154 418 Y CA -0.197 57.955 58.100 0.086 0.000 1.325 418 Y CB -0.396 38.195 38.460 0.219 0.000 1.007 418 Y HN 0.187 nan 8.280 nan 0.000 0.542 419 Y N 0.759 120.832 120.300 -0.378 0.000 2.483 419 Y HA -0.067 4.482 4.550 -0.001 0.000 0.291 419 Y C 1.792 177.639 175.900 -0.089 0.000 1.143 419 Y CA 0.745 58.662 58.100 -0.304 0.000 1.289 419 Y CB -0.797 37.525 38.460 -0.230 0.000 0.983 419 Y HN 0.315 nan 8.280 nan 0.000 0.556 420 T N -2.699 111.922 114.554 0.111 0.000 2.980 420 T HA 0.080 4.429 4.350 -0.001 0.000 0.252 420 T C 0.713 175.500 174.700 0.145 0.000 0.962 420 T CA -0.052 62.114 62.100 0.110 0.000 0.932 420 T CB 0.017 68.921 68.868 0.061 0.000 1.188 420 T HN -0.061 nan 8.240 nan 0.000 0.500 421 S N 2.468 118.253 115.700 0.143 0.000 2.558 421 S HA 0.200 4.670 4.470 -0.001 0.000 0.293 421 S C 0.405 175.140 174.600 0.224 0.000 1.292 421 S CA -0.014 58.282 58.200 0.160 0.000 1.063 421 S CB 0.084 63.363 63.200 0.132 0.000 0.831 421 S HN 0.402 nan 8.310 nan 0.000 0.499 422 R N 1.116 121.764 120.500 0.247 0.000 3.146 422 R HA -0.122 4.218 4.340 -0.001 0.000 0.250 422 R C -2.008 174.534 176.300 0.404 0.000 0.912 422 R CA 0.659 56.976 56.100 0.362 0.000 0.633 422 R CB -1.735 28.811 30.300 0.411 0.000 1.180 422 R HN 0.502 nan 8.270 nan 0.000 0.464 423 P HA -0.228 nan 4.420 nan 0.000 0.221 423 P C 1.124 178.633 177.300 0.348 0.000 1.150 423 P CA 1.032 64.346 63.100 0.356 0.000 0.800 423 P CB -0.044 31.914 31.700 0.431 0.000 0.787 424 Y N 1.444 121.840 120.300 0.161 0.000 2.128 424 Y HA -0.264 4.285 4.550 -0.001 0.000 0.284 424 Y C 2.319 178.210 175.900 -0.014 0.000 1.154 424 Y CA 2.094 60.209 58.100 0.026 0.000 1.149 424 Y CB -0.962 37.392 38.460 -0.176 0.000 0.976 424 Y HN 0.067 nan 8.280 nan 0.000 0.505 425 H N -0.874 118.424 119.070 0.379 0.000 2.470 425 H HA 0.018 4.573 4.556 -0.001 0.000 0.289 425 H C 2.021 177.479 175.328 0.217 0.000 1.033 425 H CA 1.245 57.428 56.048 0.225 0.000 1.331 425 H CB -0.067 29.883 29.762 0.312 0.000 1.414 425 H HN 0.258 nan 8.280 nan 0.000 0.545 426 K N 0.325 120.927 120.400 0.337 0.000 2.057 426 K HA -0.142 4.178 4.320 -0.001 0.000 0.207 426 K C 2.236 178.878 176.600 0.070 0.000 1.049 426 K CA 1.149 57.578 56.287 0.238 0.000 0.931 426 K CB 0.095 32.712 32.500 0.195 0.000 0.714 426 K HN 0.029 nan 8.250 nan 0.000 0.440 427 R N 1.399 121.904 120.500 0.009 0.000 2.075 427 R HA 0.001 4.340 4.340 -0.001 0.000 0.232 427 R C 2.063 178.092 176.300 -0.451 0.000 1.126 427 R CA 1.447 57.481 56.100 -0.111 0.000 0.963 427 R CB -0.450 29.880 30.300 0.049 0.000 0.858 427 R HN 0.151 nan 8.270 nan 0.000 0.435 428 M N 0.355 119.539 119.600 -0.694 0.000 2.149 428 M HA -0.214 4.266 4.480 -0.001 0.000 0.261 428 M C 1.481 177.397 176.300 -0.639 0.000 1.064 428 M CA 2.459 57.081 55.300 -1.129 0.000 1.102 428 M CB -0.369 31.772 32.600 -0.765 0.000 1.369 428 M HN 0.293 nan 8.290 nan 0.000 0.408 429 D N -0.238 119.992 120.400 -0.282 0.000 2.116 429 D HA -0.231 4.409 4.640 -0.001 0.000 0.193 429 D C 1.898 178.103 176.300 -0.158 0.000 0.998 429 D CA 1.613 55.562 54.000 -0.084 0.000 0.836 429 D CB 0.082 40.989 40.800 0.179 0.000 0.951 429 D HN 0.237 nan 8.370 nan 0.000 0.449 430 R N 0.072 120.463 120.500 -0.181 0.000 2.092 430 R HA -0.030 4.310 4.340 -0.001 0.000 0.231 430 R C 2.491 178.672 176.300 -0.198 0.000 1.119 430 R CA 0.532 56.533 56.100 -0.164 0.000 0.970 430 R CB -1.050 29.173 30.300 -0.127 0.000 0.864 430 R HN 0.264 nan 8.270 nan 0.000 0.440 431 V N 1.631 121.330 119.914 -0.358 0.000 2.255 431 V HA -0.231 3.888 4.120 -0.001 0.000 0.247 431 V C 2.398 178.314 176.094 -0.296 0.000 1.051 431 V CA 1.664 63.731 62.300 -0.388 0.000 1.018 431 V CB -0.600 30.683 31.823 -0.900 0.000 0.641 431 V HN 0.144 nan 8.190 nan 0.000 0.445 432 L N -0.508 120.466 121.223 -0.416 0.000 2.141 432 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 432 L C 2.303 179.101 176.870 -0.120 0.000 1.094 432 L CA 1.971 56.638 54.840 -0.288 0.000 0.763 432 L CB -0.673 41.213 42.059 -0.289 0.000 0.908 432 L HN 0.332 nan 8.230 nan 0.000 0.437 433 M N -1.252 118.275 119.600 -0.122 0.000 2.088 433 M HA -0.339 4.141 4.480 -0.001 0.000 0.256 433 M C 2.380 178.642 176.300 -0.063 0.000 1.071 433 M CA 2.469 57.702 55.300 -0.112 0.000 1.097 433 M CB -0.410 32.090 32.600 -0.167 0.000 1.315 433 M HN 0.569 nan 8.290 nan 0.000 0.406 434 H N -0.736 118.294 119.070 -0.068 0.000 2.363 434 H HA -0.151 4.405 4.556 -0.001 0.000 0.301 434 H C 1.487 176.857 175.328 0.069 0.000 1.074 434 H CA 2.309 58.349 56.048 -0.013 0.000 1.354 434 H CB -0.407 29.357 29.762 0.005 0.000 1.397 434 H HN 0.466 nan 8.280 nan 0.000 0.516 435 Y N -0.166 119.972 120.300 -0.271 0.000 2.181 435 Y HA -0.186 4.364 4.550 -0.001 0.000 0.288 435 Y C 2.797 178.566 175.900 -0.218 0.000 1.146 435 Y CA 1.340 59.286 58.100 -0.257 0.000 1.164 435 Y CB -0.738 37.639 38.460 -0.139 0.000 0.982 435 Y HN 0.108 nan 8.280 nan 0.000 0.515 436 V N 0.325 120.229 119.914 -0.017 0.000 2.255 436 V HA -0.351 3.769 4.120 -0.001 0.000 0.247 436 V C 2.522 178.553 176.094 -0.105 0.000 1.051 436 V CA 2.323 64.582 62.300 -0.068 0.000 1.018 436 V CB -0.692 31.083 31.823 -0.080 0.000 0.641 436 V HN 0.332 nan 8.190 nan 0.000 0.445 437 R N 0.399 120.822 120.500 -0.129 0.000 2.083 437 R HA -0.205 4.135 4.340 -0.001 0.000 0.237 437 R C 2.216 178.451 176.300 -0.109 0.000 1.137 437 R CA 2.005 58.036 56.100 -0.115 0.000 0.951 437 R CB -0.497 29.741 30.300 -0.103 0.000 0.851 437 R HN 0.475 nan 8.270 nan 0.000 0.434 438 A N 0.565 123.263 122.820 -0.204 0.000 1.930 438 A HA -0.004 4.315 4.320 -0.001 0.000 0.217 438 A C 2.371 179.890 177.584 -0.108 0.000 1.175 438 A CA 1.440 53.407 52.037 -0.117 0.000 0.627 438 A CB -0.687 18.155 19.000 -0.263 0.000 0.815 438 A HN 0.571 nan 8.150 nan 0.000 0.443 439 A N -0.067 122.680 122.820 -0.121 0.000 1.877 439 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 439 A C 1.945 179.466 177.584 -0.105 0.000 1.186 439 A CA 1.608 53.586 52.037 -0.100 0.000 0.620 439 A CB -0.551 18.402 19.000 -0.077 0.000 0.822 439 A HN 0.610 nan 8.150 nan 0.000 0.443 440 E N -0.998 119.140 120.200 -0.104 0.000 2.051 440 E HA -0.224 4.126 4.350 -0.001 0.000 0.192 440 E C 2.088 178.612 176.600 -0.128 0.000 0.991 440 E CA 1.451 57.782 56.400 -0.115 0.000 0.799 440 E CB -0.268 29.367 29.700 -0.107 0.000 0.748 440 E HN 0.737 nan 8.360 nan 0.000 0.449 441 M N 0.745 120.288 119.600 -0.095 0.000 2.067 441 M HA -0.175 4.305 4.480 -0.001 0.000 0.260 441 M C 2.196 178.459 176.300 -0.062 0.000 1.069 441 M CA 1.418 56.659 55.300 -0.098 0.000 1.117 441 M CB -0.008 32.627 32.600 0.057 0.000 1.334 441 M HN 0.079 nan 8.290 nan 0.000 0.407 442 L N 0.048 121.288 121.223 0.027 0.000 2.042 442 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 442 L C 2.671 179.663 176.870 0.204 0.000 1.076 442 L CA 1.773 56.680 54.840 0.112 0.000 0.749 442 L CB -0.574 41.396 42.059 -0.148 0.000 0.893 442 L HN 0.523 nan 8.230 nan 0.000 0.432 443 S N -0.896 114.854 115.700 0.084 0.000 2.496 443 S HA 0.035 4.505 4.470 -0.001 0.000 0.224 443 S C 2.033 176.788 174.600 0.259 0.000 0.996 443 S CA 0.427 58.756 58.200 0.215 0.000 0.927 443 S CB -0.102 63.025 63.200 -0.122 0.000 0.774 443 S HN 0.306 nan 8.310 nan 0.000 0.524 444 A N 0.974 123.768 122.820 -0.043 0.000 2.019 444 A HA 0.043 4.362 4.320 -0.001 0.000 0.219 444 A C 1.732 179.190 177.584 -0.210 0.000 1.164 444 A CA 0.926 52.840 52.037 -0.205 0.000 0.644 444 A CB -1.238 17.500 19.000 -0.436 0.000 0.805 444 A HN 0.771 nan 8.150 nan 0.000 0.449 445 W N -0.716 120.573 121.300 -0.018 0.000 2.392 445 W HA -0.049 4.611 4.660 -0.001 0.000 0.279 445 W C 1.002 177.290 176.519 -0.385 0.000 1.225 445 W CA 0.759 58.003 57.345 -0.168 0.000 1.233 445 W CB 0.000 29.339 29.460 -0.202 0.000 1.122 445 W HN 0.286 nan 8.180 nan 0.000 0.561 446 H N -1.644 117.490 119.070 0.107 0.000 2.797 446 H HA 0.271 4.827 4.556 -0.001 0.000 0.372 446 H C -0.472 174.773 175.328 -0.140 0.000 1.168 446 H CA -1.017 54.947 56.048 -0.140 0.000 1.163 446 H CB 1.976 31.454 29.762 -0.473 0.000 1.778 446 H HN -0.416 nan 8.280 nan 0.000 0.551 447 S N 1.019 116.701 115.700 -0.030 0.000 2.545 447 S HA 0.242 4.712 4.470 -0.001 0.000 0.275 447 S C -0.962 173.545 174.600 -0.155 0.000 1.299 447 S CA -0.550 57.645 58.200 -0.009 0.000 1.048 447 S CB 0.231 63.430 63.200 -0.001 0.000 0.938 447 S HN 0.305 nan 8.310 nan 0.000 0.496 448 W N 2.014 123.314 121.300 -0.000 0.000 2.632 448 W HA 0.351 5.011 4.660 -0.001 0.000 0.328 448 W C -0.032 176.450 176.519 -0.062 0.000 1.044 448 W CA -0.897 56.425 57.345 -0.039 0.000 1.225 448 W CB 0.604 30.011 29.460 -0.088 0.000 1.396 448 W HN 0.607 nan 8.180 nan 0.000 0.499 449 D N 0.713 121.195 120.400 0.137 0.000 2.423 449 D HA 0.165 4.805 4.640 -0.001 0.000 0.238 449 D C 1.629 177.935 176.300 0.010 0.000 1.142 449 D CA 1.098 55.142 54.000 0.073 0.000 0.884 449 D CB 1.187 42.054 40.800 0.111 0.000 1.199 449 D HN 0.565 nan 8.370 nan 0.000 0.438 450 G N 2.778 111.592 108.800 0.023 0.000 2.448 450 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.219 450 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.219 450 G C 1.310 176.193 174.900 -0.028 0.000 1.127 450 G CA 0.402 45.504 45.100 0.002 0.000 0.766 450 G HN 0.461 nan 8.290 nan 0.000 0.552 451 M N 1.140 120.734 119.600 -0.011 0.000 2.358 451 M HA 0.068 4.547 4.480 -0.001 0.000 0.264 451 M C 2.805 179.022 176.300 -0.137 0.000 1.064 451 M CA 0.854 56.169 55.300 0.025 0.000 1.093 451 M CB -0.998 31.721 32.600 0.199 0.000 1.401 451 M HN 0.314 nan 8.290 nan 0.000 0.440 452 A N -0.046 122.457 122.820 -0.530 0.000 2.119 452 A HA -0.062 4.258 4.320 -0.001 0.000 0.217 452 A C 1.202 178.589 177.584 -0.329 0.000 1.153 452 A CA 0.452 51.967 52.037 -0.870 0.000 0.692 452 A CB -0.443 17.950 19.000 -1.012 0.000 0.799 452 A HN 0.595 nan 8.150 nan 0.000 0.458 453 R N -1.585 118.798 120.500 -0.195 0.000 3.516 453 R HA -0.189 4.151 4.340 -0.001 0.000 0.271 453 R C 0.651 176.851 176.300 -0.167 0.000 1.098 453 R CA 0.724 56.752 56.100 -0.121 0.000 0.732 453 R CB -2.084 28.180 30.300 -0.060 0.000 1.152 453 R HN 0.482 nan 8.270 nan 0.000 0.455 454 I N 0.465 120.884 120.570 -0.252 0.000 2.163 454 I HA -0.185 3.985 4.170 -0.001 0.000 0.240 454 I C 2.186 178.176 176.117 -0.211 0.000 1.081 454 I CA 1.629 62.725 61.300 -0.339 0.000 1.353 454 I CB -0.702 36.928 38.000 -0.616 0.000 1.054 454 I HN 0.211 nan 8.210 nan 0.000 0.407 455 E N 0.859 120.974 120.200 -0.142 0.000 2.058 455 E HA -0.254 4.095 4.350 -0.001 0.000 0.194 455 E C 2.113 178.667 176.600 -0.078 0.000 0.997 455 E CA 1.486 57.832 56.400 -0.090 0.000 0.801 455 E CB -0.295 29.377 29.700 -0.047 0.000 0.746 455 E HN 0.442 nan 8.360 nan 0.000 0.450 456 E N 0.317 120.477 120.200 -0.068 0.000 2.070 456 E HA -0.287 4.063 4.350 -0.001 0.000 0.197 456 E C 2.015 178.576 176.600 -0.065 0.000 1.004 456 E CA 1.238 57.608 56.400 -0.051 0.000 0.805 456 E CB 0.080 29.758 29.700 -0.037 0.000 0.744 456 E HN -0.021 nan 8.360 nan 0.000 0.451 457 R N 0.269 120.718 120.500 -0.084 0.000 2.075 457 R HA 0.007 4.347 4.340 -0.001 0.000 0.232 457 R C 2.442 178.689 176.300 -0.088 0.000 1.126 457 R CA 0.853 56.905 56.100 -0.080 0.000 0.963 457 R CB -0.563 29.684 30.300 -0.088 0.000 0.858 457 R HN 0.258 nan 8.270 nan 0.000 0.435 458 L N 0.066 121.224 121.223 -0.108 0.000 2.012 458 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 458 L C 2.321 179.127 176.870 -0.107 0.000 1.073 458 L CA 1.602 56.377 54.840 -0.108 0.000 0.748 458 L CB -0.462 41.526 42.059 -0.119 0.000 0.891 458 L HN 0.186 nan 8.230 nan 0.000 0.431 459 E N 0.306 120.446 120.200 -0.101 0.000 2.077 459 E HA -0.292 4.057 4.350 -0.001 0.000 0.193 459 E C 2.145 178.663 176.600 -0.137 0.000 0.989 459 E CA 1.596 57.926 56.400 -0.117 0.000 0.800 459 E CB -0.148 29.503 29.700 -0.082 0.000 0.746 459 E HN 0.388 nan 8.360 nan 0.000 0.452 460 Q N -0.327 119.414 119.800 -0.099 0.000 2.061 460 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 460 Q C 2.106 178.049 176.000 -0.095 0.000 0.984 460 Q CA 1.904 57.656 55.803 -0.086 0.000 0.846 460 Q CB -0.359 28.345 28.738 -0.057 0.000 0.902 460 Q HN 0.352 nan 8.270 nan 0.000 0.421 461 A N 1.184 123.951 122.820 -0.089 0.000 1.883 461 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 461 A C 2.122 179.639 177.584 -0.112 0.000 1.186 461 A CA 1.660 53.646 52.037 -0.086 0.000 0.624 461 A CB -0.604 18.353 19.000 -0.073 0.000 0.822 461 A HN 0.407 nan 8.150 nan 0.000 0.444 462 R N -0.833 119.581 120.500 -0.143 0.000 2.083 462 R HA -0.122 4.218 4.340 -0.001 0.000 0.237 462 R C 2.507 178.649 176.300 -0.264 0.000 1.137 462 R CA 1.700 57.690 56.100 -0.183 0.000 0.951 462 R CB -0.325 29.856 30.300 -0.198 0.000 0.851 462 R HN 0.513 nan 8.270 nan 0.000 0.434 463 R N 0.389 120.687 120.500 -0.337 0.000 2.081 463 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 463 R C 2.197 178.417 176.300 -0.133 0.000 1.131 463 R CA 1.172 57.002 56.100 -0.451 0.000 0.960 463 R CB -0.099 29.966 30.300 -0.392 0.000 0.856 463 R HN 0.221 nan 8.270 nan 0.000 0.436 464 E N 0.844 121.003 120.200 -0.068 0.000 2.072 464 E HA -0.185 4.165 4.350 -0.001 0.000 0.191 464 E C 2.025 178.648 176.600 0.040 0.000 0.985 464 E CA 0.816 57.222 56.400 0.010 0.000 0.801 464 E CB -0.331 29.364 29.700 -0.008 0.000 0.750 464 E HN 0.151 nan 8.360 nan 0.000 0.452 465 L N 1.374 122.590 121.223 -0.013 0.000 2.046 465 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 465 L C 2.206 179.112 176.870 0.061 0.000 1.077 465 L CA 1.691 56.539 54.840 0.015 0.000 0.747 465 L CB -0.717 41.315 42.059 -0.044 0.000 0.896 465 L HN -0.083 nan 8.230 nan 0.000 0.432 466 S N -0.472 115.233 115.700 0.008 0.000 2.359 466 S HA -0.197 4.273 4.470 -0.001 0.000 0.224 466 S C 1.852 176.585 174.600 0.222 0.000 1.035 466 S CA 1.620 59.858 58.200 0.064 0.000 1.018 466 S CB -0.606 62.531 63.200 -0.105 0.000 0.876 466 S HN 0.472 nan 8.310 nan 0.000 0.448 467 L N 0.713 122.109 121.223 0.288 0.000 2.012 467 L HA -0.040 4.300 4.340 -0.001 0.000 0.210 467 L C 1.929 178.892 176.870 0.155 0.000 1.073 467 L CA 1.659 56.659 54.840 0.267 0.000 0.748 467 L CB -0.660 41.530 42.059 0.218 0.000 0.891 467 L HN 0.276 nan 8.230 nan 0.000 0.431 468 F N -0.048 119.866 119.950 -0.059 0.000 2.307 468 F HA -0.196 4.331 4.527 -0.000 0.000 0.301 468 F C 2.253 177.963 175.800 -0.150 0.000 1.076 468 F CA 1.095 58.952 58.000 -0.239 0.000 1.383 468 F CB -0.288 38.607 39.000 -0.176 0.000 1.055 468 F HN 0.278 nan 8.300 nan 0.000 0.526 469 Q N -0.441 119.300 119.800 -0.098 0.000 2.437 469 Q HA -0.157 4.183 4.340 -0.001 0.000 0.210 469 Q C 0.616 176.543 176.000 -0.122 0.000 0.972 469 Q CA 0.573 56.304 55.803 -0.120 0.000 0.903 469 Q CB -1.348 27.392 28.738 0.004 0.000 0.967 469 Q HN 0.524 nan 8.270 nan 0.000 0.486 470 H N 1.898 120.844 119.070 -0.208 0.000 3.073 470 H HA -0.116 4.440 4.556 -0.001 0.000 0.340 470 H C 1.341 176.501 175.328 -0.280 0.000 1.054 470 H CA 0.803 56.726 56.048 -0.208 0.000 1.372 470 H CB 0.541 30.201 29.762 -0.169 0.000 1.314 470 H HN 0.250 nan 8.280 nan 0.000 0.603 471 H N 2.014 120.670 119.070 -0.690 0.000 2.563 471 H HA -0.007 4.549 4.556 -0.000 0.000 0.272 471 H C -0.294 174.570 175.328 -0.772 0.000 1.005 471 H CA 0.734 56.329 56.048 -0.755 0.000 1.171 471 H CB 0.340 29.665 29.762 -0.728 0.000 1.351 471 H HN 0.617 nan 8.280 nan 0.000 0.602 472 D N 0.481 120.145 120.400 -1.226 0.000 2.469 472 D HA 0.123 4.762 4.640 -0.001 0.000 0.215 472 D C 1.615 177.862 176.300 -0.089 0.000 1.154 472 D CA 0.285 54.090 54.000 -0.326 0.000 0.832 472 D CB 0.829 41.669 40.800 0.067 0.000 1.008 472 D HN 0.519 nan 8.370 nan 0.000 0.506 473 G N 1.367 109.911 108.800 -0.426 0.000 2.549 473 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.219 473 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.219 473 G C 1.371 175.657 174.900 -1.023 0.000 1.677 473 G CA -0.211 44.388 45.100 -0.835 0.000 0.929 473 G HN 0.201 nan 8.290 nan 0.000 0.549 474 I N 1.916 121.587 120.570 -1.498 0.000 2.423 474 I HA -0.207 3.962 4.170 -0.001 0.000 0.254 474 I C 2.936 178.942 176.117 -0.185 0.000 1.151 474 I CA 2.119 62.845 61.300 -0.957 0.000 1.421 474 I CB -0.114 37.521 38.000 -0.608 0.000 1.079 474 I HN 0.394 nan 8.210 nan 0.000 0.431 475 T N -1.394 113.104 114.554 -0.093 0.000 2.977 475 T HA -0.033 4.317 4.350 -0.001 0.000 0.271 475 T C 1.540 176.379 174.700 0.232 0.000 1.105 475 T CA 0.674 62.913 62.100 0.232 0.000 1.116 475 T CB -0.776 68.228 68.868 0.225 0.000 0.878 475 T HN 0.666 nan 8.240 nan 0.000 0.509 476 G N 1.575 110.468 108.800 0.155 0.000 2.273 476 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.280 476 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.280 476 G C 0.518 175.494 174.900 0.127 0.000 1.047 476 G CA 0.674 45.891 45.100 0.195 0.000 0.869 476 G HN 1.165 nan 8.290 nan 0.000 0.502 477 T N -3.568 111.050 114.554 0.108 0.000 3.215 477 T HA 0.730 5.079 4.350 -0.001 0.000 0.271 477 T C 0.875 175.775 174.700 0.333 0.000 1.012 477 T CA 0.959 63.054 62.100 -0.008 0.000 0.899 477 T CB 0.983 69.644 68.868 -0.344 0.000 1.089 477 T HN 1.545 nan 8.240 nan 0.000 0.552 478 A N 1.421 124.460 122.820 0.365 0.000 2.269 478 A HA 0.663 4.982 4.320 -0.001 0.000 0.319 478 A C 0.249 177.962 177.584 0.214 0.000 1.110 478 A CA -0.935 51.365 52.037 0.440 0.000 0.847 478 A CB 0.781 20.069 19.000 0.480 0.000 1.161 478 A HN 0.415 nan 8.150 nan 0.000 0.497 479 K N 0.053 120.517 120.400 0.106 0.000 2.336 479 K HA 0.101 4.421 4.320 -0.001 0.000 0.262 479 K C 1.087 177.718 176.600 0.052 0.000 0.992 479 K CA 0.421 56.740 56.287 0.054 0.000 0.927 479 K CB 0.262 32.784 32.500 0.037 0.000 0.956 479 K HN 0.744 nan 8.250 nan 0.000 0.495 480 T N 1.357 115.959 114.554 0.079 0.000 2.665 480 T HA -0.215 4.135 4.350 -0.001 0.000 0.268 480 T C 1.724 176.463 174.700 0.064 0.000 1.035 480 T CA 1.908 64.055 62.100 0.077 0.000 1.151 480 T CB -0.427 68.492 68.868 0.084 0.000 0.862 480 T HN 0.705 nan 8.240 nan 0.000 0.438 481 H N 0.814 119.883 119.070 -0.001 0.000 2.457 481 H HA 0.060 4.616 4.556 -0.001 0.000 0.294 481 H C 2.023 177.330 175.328 -0.036 0.000 1.064 481 H CA 1.057 57.097 56.048 -0.014 0.000 1.330 481 H CB -0.770 28.980 29.762 -0.021 0.000 1.395 481 H HN 0.283 nan 8.280 nan 0.000 0.541 482 V N 1.201 120.766 119.914 -0.582 0.000 2.379 482 V HA -0.174 3.946 4.120 -0.001 0.000 0.245 482 V C 3.087 178.995 176.094 -0.310 0.000 1.044 482 V CA 1.149 63.141 62.300 -0.514 0.000 1.036 482 V CB -0.560 31.048 31.823 -0.357 0.000 0.664 482 V HN 0.237 nan 8.190 nan 0.000 0.453 483 V N 0.104 119.972 119.914 -0.078 0.000 2.332 483 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 483 V C 2.458 178.523 176.094 -0.047 0.000 1.055 483 V CA 2.023 64.329 62.300 0.008 0.000 1.038 483 V CB -0.524 31.276 31.823 -0.038 0.000 0.651 483 V HN 0.425 nan 8.190 nan 0.000 0.450 484 V N 0.247 120.143 119.914 -0.031 0.000 2.343 484 V HA -0.287 3.833 4.120 -0.001 0.000 0.247 484 V C 2.292 178.395 176.094 0.014 0.000 1.051 484 V CA 2.335 64.648 62.300 0.023 0.000 1.036 484 V CB -0.715 31.133 31.823 0.042 0.000 0.654 484 V HN 0.626 nan 8.190 nan 0.000 0.451 485 D N -0.802 119.559 120.400 -0.066 0.000 2.116 485 D HA -0.229 4.411 4.640 -0.001 0.000 0.193 485 D C 2.007 178.308 176.300 0.002 0.000 0.998 485 D CA 1.705 55.660 54.000 -0.075 0.000 0.836 485 D CB -0.185 40.502 40.800 -0.188 0.000 0.951 485 D HN 0.483 nan 8.370 nan 0.000 0.449 486 Y N 0.908 121.234 120.300 0.044 0.000 2.181 486 Y HA -0.070 4.479 4.550 -0.001 0.000 0.288 486 Y C 2.457 178.323 175.900 -0.056 0.000 1.146 486 Y CA 1.293 59.416 58.100 0.039 0.000 1.164 486 Y CB -0.749 37.795 38.460 0.141 0.000 0.982 486 Y HN 0.165 nan 8.280 nan 0.000 0.515 487 E N -0.008 120.286 120.200 0.156 0.000 2.051 487 E HA -0.246 4.104 4.350 -0.001 0.000 0.192 487 E C 2.056 178.727 176.600 0.118 0.000 0.991 487 E CA 1.344 57.853 56.400 0.182 0.000 0.799 487 E CB -0.043 29.849 29.700 0.320 0.000 0.748 487 E HN 0.560 nan 8.360 nan 0.000 0.449 488 Q N 0.014 119.871 119.800 0.095 0.000 2.061 488 Q HA -0.194 4.146 4.340 -0.001 0.000 0.204 488 Q C 2.362 178.393 176.000 0.051 0.000 0.984 488 Q CA 1.533 57.376 55.803 0.067 0.000 0.846 488 Q CB -0.150 28.620 28.738 0.053 0.000 0.902 488 Q HN 0.217 nan 8.270 nan 0.000 0.421 489 R N 0.041 120.576 120.500 0.058 0.000 2.091 489 R HA -0.087 4.253 4.340 -0.001 0.000 0.238 489 R C 2.291 178.600 176.300 0.014 0.000 1.136 489 R CA 1.474 57.602 56.100 0.046 0.000 0.959 489 R CB -0.179 30.174 30.300 0.087 0.000 0.856 489 R HN 0.305 nan 8.270 nan 0.000 0.437 490 M N -0.132 119.464 119.600 -0.007 0.000 2.200 490 M HA -0.158 4.322 4.480 -0.001 0.000 0.265 490 M C 2.313 178.579 176.300 -0.056 0.000 1.066 490 M CA 1.331 56.586 55.300 -0.074 0.000 1.127 490 M CB -0.105 32.387 32.600 -0.179 0.000 1.379 490 M HN 0.042 nan 8.290 nan 0.000 0.420 491 Q N 0.955 120.757 119.800 0.003 0.000 2.096 491 Q HA -0.184 4.155 4.340 -0.001 0.000 0.204 491 Q C 1.751 177.754 176.000 0.006 0.000 0.982 491 Q CA 1.670 57.488 55.803 0.026 0.000 0.850 491 Q CB -0.070 28.707 28.738 0.064 0.000 0.901 491 Q HN 0.316 nan 8.270 nan 0.000 0.422 492 E N -0.231 119.972 120.200 0.006 0.000 2.110 492 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 492 E C 1.823 178.415 176.600 -0.013 0.000 0.988 492 E CA 1.131 57.532 56.400 0.002 0.000 0.804 492 E CB -0.462 29.241 29.700 0.005 0.000 0.745 492 E HN 0.469 nan 8.360 nan 0.000 0.458 493 A N 1.184 123.986 122.820 -0.030 0.000 1.902 493 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 493 A C 2.407 179.966 177.584 -0.043 0.000 1.181 493 A CA 1.047 53.057 52.037 -0.046 0.000 0.623 493 A CB -0.721 18.239 19.000 -0.066 0.000 0.818 493 A HN 0.182 nan 8.150 nan 0.000 0.443 494 L N -0.689 120.491 121.223 -0.072 0.000 2.012 494 L HA -0.244 4.096 4.340 -0.001 0.000 0.210 494 L C 2.655 179.544 176.870 0.031 0.000 1.073 494 L CA 1.935 56.723 54.840 -0.087 0.000 0.748 494 L CB -0.478 41.472 42.059 -0.183 0.000 0.891 494 L HN 0.374 nan 8.230 nan 0.000 0.431 495 K N -0.234 120.179 120.400 0.023 0.000 2.063 495 K HA -0.200 4.120 4.320 -0.001 0.000 0.208 495 K C 2.176 178.797 176.600 0.035 0.000 1.048 495 K CA 1.473 57.784 56.287 0.039 0.000 0.928 495 K CB -0.251 32.263 32.500 0.023 0.000 0.713 495 K HN 0.325 nan 8.250 nan 0.000 0.442 496 A N 0.885 123.714 122.820 0.014 0.000 1.898 496 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 496 A C 2.426 180.013 177.584 0.005 0.000 1.181 496 A CA 1.457 53.492 52.037 -0.003 0.000 0.620 496 A CB -0.926 18.059 19.000 -0.025 0.000 0.819 496 A HN 0.415 nan 8.150 nan 0.000 0.442 497 C N -0.988 118.333 119.300 0.035 0.000 2.432 497 C HA -0.139 4.321 4.460 -0.001 0.000 0.277 497 C C 2.873 177.915 174.990 0.087 0.000 1.249 497 C CA 1.325 60.380 59.018 0.061 0.000 1.725 497 C CB -1.289 26.539 27.740 0.147 0.000 2.028 497 C HN 0.795 nan 8.230 nan 0.000 0.477 498 Q N 0.186 120.071 119.800 0.141 0.000 2.061 498 Q HA -0.290 4.050 4.340 -0.001 0.000 0.204 498 Q C 2.171 178.246 176.000 0.126 0.000 0.984 498 Q CA 2.159 58.048 55.803 0.144 0.000 0.846 498 Q CB -0.296 28.534 28.738 0.153 0.000 0.902 498 Q HN 0.575 nan 8.270 nan 0.000 0.421 499 M N -0.010 119.636 119.600 0.078 0.000 2.073 499 M HA -0.169 4.310 4.480 -0.001 0.000 0.258 499 M C 1.918 178.239 176.300 0.036 0.000 1.070 499 M CA 1.734 57.070 55.300 0.060 0.000 1.103 499 M CB -0.686 31.928 32.600 0.024 0.000 1.321 499 M HN 0.160 nan 8.290 nan 0.000 0.405 500 V N 0.299 120.192 119.914 -0.035 0.000 2.287 500 V HA -0.340 3.780 4.120 -0.001 0.000 0.248 500 V C 2.469 178.516 176.094 -0.079 0.000 1.053 500 V CA 2.378 64.595 62.300 -0.138 0.000 1.027 500 V CB -0.757 30.959 31.823 -0.178 0.000 0.646 500 V HN 0.583 nan 8.190 nan 0.000 0.447 501 M N 0.193 119.798 119.600 0.008 0.000 2.065 501 M HA -0.285 4.195 4.480 -0.001 0.000 0.259 501 M C 2.415 178.740 176.300 0.042 0.000 1.069 501 M CA 2.588 57.922 55.300 0.056 0.000 1.110 501 M CB -0.545 32.181 32.600 0.210 0.000 1.328 501 M HN 0.564 nan 8.290 nan 0.000 0.405 502 Q N -0.107 119.816 119.800 0.205 0.000 2.119 502 Q HA -0.147 4.193 4.340 -0.001 0.000 0.201 502 Q C 1.824 178.004 176.000 0.299 0.000 0.972 502 Q CA 1.223 57.167 55.803 0.236 0.000 0.847 502 Q CB -0.689 28.318 28.738 0.449 0.000 0.903 502 Q HN 0.416 nan 8.270 nan 0.000 0.433 503 Q N 0.654 120.629 119.800 0.291 0.000 2.096 503 Q HA -0.115 4.225 4.340 -0.001 0.000 0.204 503 Q C 2.324 178.588 176.000 0.440 0.000 0.982 503 Q CA 1.866 57.916 55.803 0.410 0.000 0.850 503 Q CB -0.374 28.517 28.738 0.256 0.000 0.901 503 Q HN 0.522 nan 8.270 nan 0.000 0.422 504 S N 0.331 116.166 115.700 0.225 0.000 2.368 504 S HA -0.090 4.380 4.470 -0.001 0.000 0.224 504 S C 2.229 176.844 174.600 0.025 0.000 1.029 504 S CA 1.102 59.461 58.200 0.265 0.000 0.988 504 S CB -0.227 63.044 63.200 0.119 0.000 0.838 504 S HN 0.142 nan 8.310 nan 0.000 0.462 505 V N 0.829 120.626 119.914 -0.195 0.000 2.295 505 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 505 V C 2.005 178.040 176.094 -0.099 0.000 1.049 505 V CA 1.913 63.966 62.300 -0.412 0.000 1.024 505 V CB -0.796 30.361 31.823 -1.109 0.000 0.648 505 V HN 0.554 nan 8.190 nan 0.000 0.447 506 Y N 1.247 121.581 120.300 0.056 0.000 2.165 506 Y HA -0.255 4.295 4.550 -0.001 0.000 0.286 506 Y C 2.754 178.739 175.900 0.143 0.000 1.155 506 Y CA 2.202 60.442 58.100 0.233 0.000 1.164 506 Y CB -0.369 38.156 38.460 0.107 0.000 0.978 506 Y HN 0.076 nan 8.280 nan 0.000 0.513 507 R N -0.049 120.376 120.500 -0.125 0.000 2.073 507 R HA -0.144 4.196 4.340 -0.001 0.000 0.234 507 R C 2.214 178.207 176.300 -0.512 0.000 1.134 507 R CA 1.905 57.609 56.100 -0.661 0.000 0.952 507 R CB -0.465 29.491 30.300 -0.574 0.000 0.850 507 R HN 0.458 nan 8.270 nan 0.000 0.433 508 L N 0.288 121.325 121.223 -0.310 0.000 2.291 508 L HA -0.077 4.263 4.340 -0.001 0.000 0.214 508 L C 1.447 178.188 176.870 -0.215 0.000 1.120 508 L CA 0.751 55.359 54.840 -0.385 0.000 0.799 508 L CB 0.097 41.727 42.059 -0.715 0.000 0.925 508 L HN 0.251 nan 8.230 nan 0.000 0.446 509 L N -1.349 119.844 121.223 -0.050 0.000 3.014 509 L HA 0.213 4.553 4.340 -0.001 0.000 0.263 509 L C -0.147 176.806 176.870 0.139 0.000 1.207 509 L CA -0.109 54.804 54.840 0.122 0.000 1.017 509 L CB 0.492 42.763 42.059 0.354 0.000 1.360 509 L HN -0.014 nan 8.230 nan 0.000 0.560 510 T N 0.257 114.806 114.554 -0.007 0.000 2.807 510 T HA 0.174 4.524 4.350 -0.001 0.000 0.279 510 T C -0.082 174.551 174.700 -0.111 0.000 0.993 510 T CA -0.556 61.522 62.100 -0.037 0.000 0.970 510 T CB 2.239 71.043 68.868 -0.106 0.000 0.950 510 T HN 0.018 nan 8.240 nan 0.000 0.441 511 K N 4.120 124.468 120.400 -0.087 0.000 2.473 511 K HA -0.040 4.280 4.320 -0.001 0.000 0.277 511 K C -1.694 174.874 176.600 -0.054 0.000 1.052 511 K CA -0.987 55.256 56.287 -0.073 0.000 1.114 511 K CB 0.427 32.889 32.500 -0.063 0.000 0.869 511 K HN 0.187 nan 8.250 nan 0.000 0.481 512 P HA -0.202 nan 4.420 nan 0.000 0.216 512 P C 0.848 178.154 177.300 0.010 0.000 1.150 512 P CA 1.483 64.549 63.100 -0.058 0.000 0.843 512 P CB 0.140 31.794 31.700 -0.076 0.000 0.787 513 S N -2.050 113.648 115.700 -0.003 0.000 2.555 513 S HA 0.018 4.488 4.470 -0.001 0.000 0.230 513 S C 1.732 176.340 174.600 0.013 0.000 0.978 513 S CA 0.619 58.821 58.200 0.004 0.000 0.934 513 S CB -1.144 62.052 63.200 -0.007 0.000 0.766 513 S HN 0.114 nan 8.310 nan 0.000 0.533 514 I N -0.815 119.770 120.570 0.025 0.000 3.339 514 I HA 0.183 4.353 4.170 -0.001 0.000 0.285 514 I C 0.675 176.833 176.117 0.069 0.000 1.201 514 I CA -0.369 60.953 61.300 0.037 0.000 1.434 514 I CB -0.176 37.843 38.000 0.031 0.000 1.152 514 I HN 0.236 nan 8.210 nan 0.000 0.443 515 Y N 3.034 123.279 120.300 -0.092 0.000 2.887 515 Y HA -0.115 4.435 4.550 -0.001 0.000 0.350 515 Y C 0.502 176.375 175.900 -0.045 0.000 1.294 515 Y CA 0.092 58.096 58.100 -0.160 0.000 1.622 515 Y CB 0.260 38.559 38.460 -0.269 0.000 1.201 515 Y HN -0.097 nan 8.280 nan 0.000 0.546 516 S N 8.898 124.393 115.700 -0.341 0.000 2.216 516 S HA 0.353 4.823 4.470 -0.001 0.000 0.156 516 S C -2.850 171.563 174.600 -0.312 0.000 1.665 516 S CA -1.278 56.740 58.200 -0.304 0.000 1.262 516 S CB -0.043 63.099 63.200 -0.096 0.000 1.207 516 S HN 0.634 nan 8.310 nan 0.000 0.427 517 P HA 0.275 nan 4.420 nan 0.000 0.276 517 P C -1.060 175.999 177.300 -0.402 0.000 1.235 517 P CA -0.140 62.734 63.100 -0.378 0.000 0.772 517 P CB 0.834 32.232 31.700 -0.503 0.000 0.871 518 D N 2.697 123.059 120.400 -0.062 0.000 2.412 518 D HA 0.146 4.786 4.640 -0.001 0.000 0.224 518 D C 0.342 176.690 176.300 0.080 0.000 1.093 518 D CA -0.711 53.217 54.000 -0.120 0.000 0.850 518 D CB 0.123 40.867 40.800 -0.093 0.000 1.046 518 D HN 0.052 nan 8.370 nan 0.000 0.507 519 F N 1.662 121.737 119.950 0.207 0.000 2.641 519 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 519 F C 2.394 178.280 175.800 0.143 0.000 1.146 519 F CA 0.616 58.740 58.000 0.207 0.000 1.464 519 F CB -0.469 38.633 39.000 0.170 0.000 1.101 519 F HN 0.387 nan 8.300 nan 0.000 0.585 520 S N -1.870 113.984 115.700 0.257 0.000 2.540 520 S HA 0.123 4.592 4.470 -0.001 0.000 0.218 520 S C 0.291 174.942 174.600 0.086 0.000 0.977 520 S CA -0.438 57.851 58.200 0.149 0.000 0.918 520 S CB -0.672 62.593 63.200 0.109 0.000 0.806 520 S HN 0.087 nan 8.310 nan 0.000 0.496 521 F N 2.884 122.776 119.950 -0.096 0.000 2.384 521 F HA 0.573 5.099 4.527 -0.001 0.000 0.338 521 F C 0.064 175.646 175.800 -0.364 0.000 1.103 521 F CA -0.604 57.201 58.000 -0.325 0.000 1.157 521 F CB 1.504 40.140 39.000 -0.607 0.000 1.167 521 F HN -0.046 nan 8.300 nan 0.000 0.529 522 S N 6.319 121.380 115.700 -1.065 0.000 2.642 522 S HA 0.124 4.593 4.470 -0.001 0.000 0.309 522 S C 0.470 174.542 174.600 -0.881 0.000 1.125 522 S CA -0.338 57.439 58.200 -0.706 0.000 1.055 522 S CB -0.300 62.602 63.200 -0.496 0.000 1.157 522 S HN 0.665 nan 8.310 nan 0.000 0.513 523 Y N 1.573 121.679 120.300 -0.324 0.000 2.293 523 Y HA 0.113 4.662 4.550 -0.001 0.000 0.291 523 Y C 0.415 175.794 175.900 -0.870 0.000 1.137 523 Y CA 0.773 58.557 58.100 -0.527 0.000 1.202 523 Y CB 0.078 38.261 38.460 -0.461 0.000 0.990 523 Y HN 0.482 nan 8.280 nan 0.000 0.537 524 F N -1.141 118.790 119.950 -0.033 0.000 2.576 524 F HA 0.433 4.959 4.527 -0.000 0.000 0.313 524 F C 0.011 175.856 175.800 0.074 0.000 1.078 524 F CA -1.512 56.524 58.000 0.061 0.000 0.921 524 F CB 1.664 40.825 39.000 0.267 0.000 1.232 524 F HN -0.396 nan 8.300 nan 0.000 0.459 525 T N 0.993 115.705 114.554 0.263 0.000 2.824 525 T HA 0.671 5.021 4.350 -0.001 0.000 0.280 525 T C -0.505 174.305 174.700 0.183 0.000 0.995 525 T CA -0.752 61.450 62.100 0.169 0.000 1.009 525 T CB 0.906 69.816 68.868 0.069 0.000 0.955 525 T HN 0.528 nan 8.240 nan 0.000 0.452 526 L N 2.420 123.684 121.223 0.068 0.000 2.461 526 L HA 0.380 4.719 4.340 -0.001 0.000 0.272 526 L C 0.179 177.030 176.870 -0.031 0.000 1.197 526 L CA -0.123 54.644 54.840 -0.120 0.000 0.836 526 L CB 0.604 42.570 42.059 -0.155 0.000 1.105 526 L HN 0.830 nan 8.230 nan 0.000 0.477 527 D N 1.468 121.821 120.400 -0.079 0.000 2.505 527 D HA 0.178 4.818 4.640 -0.001 0.000 0.250 527 D C -1.262 174.951 176.300 -0.145 0.000 1.164 527 D CA -0.430 53.528 54.000 -0.071 0.000 0.870 527 D CB 1.006 41.797 40.800 -0.014 0.000 1.160 527 D HN 0.266 nan 8.370 nan 0.000 0.549 528 D N 2.490 122.840 120.400 -0.083 0.000 2.425 528 D HA 0.190 4.829 4.640 -0.001 0.000 0.240 528 D C 0.231 176.476 176.300 -0.091 0.000 1.080 528 D CA -0.429 53.548 54.000 -0.038 0.000 0.836 528 D CB 1.841 42.730 40.800 0.147 0.000 1.125 528 D HN 0.243 nan 8.370 nan 0.000 0.525 529 S N 2.774 118.388 115.700 -0.143 0.000 2.481 529 S HA -0.005 4.465 4.470 -0.001 0.000 0.231 529 S C 1.378 175.934 174.600 -0.073 0.000 0.996 529 S CA 0.664 58.772 58.200 -0.155 0.000 0.942 529 S CB 0.338 63.434 63.200 -0.174 0.000 0.768 529 S HN 0.508 nan 8.310 nan 0.000 0.520 530 R N -0.900 119.592 120.500 -0.013 0.000 2.509 530 R HA 0.214 4.553 4.340 -0.001 0.000 0.297 530 R C -0.620 175.754 176.300 0.123 0.000 0.951 530 R CA -0.108 56.008 56.100 0.028 0.000 1.103 530 R CB 0.796 31.108 30.300 0.021 0.000 1.283 530 R HN 0.325 nan 8.270 nan 0.000 0.534 531 W N 1.521 122.771 121.300 -0.083 0.000 3.211 531 W HA 0.296 4.955 4.660 -0.000 0.000 0.335 531 W C -2.815 173.656 176.519 -0.079 0.000 1.113 531 W CA -2.066 55.217 57.345 -0.104 0.000 1.235 531 W CB 1.813 31.191 29.460 -0.136 0.000 1.365 531 W HN -0.185 nan 8.180 nan 0.000 0.476 532 P HA 0.069 nan 4.420 nan 0.000 0.222 532 P C 0.331 177.274 177.300 -0.595 0.000 1.147 532 P CA 1.764 64.036 63.100 -1.381 0.000 0.790 532 P CB 0.289 31.415 31.700 -0.957 0.000 0.780 533 G N -1.238 107.381 108.800 -0.300 0.000 2.576 533 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.686 533 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.686 533 G C -0.528 174.311 174.900 -0.101 0.000 1.242 533 G CA -0.477 44.536 45.100 -0.146 0.000 0.819 533 G HN 0.085 nan 8.290 nan 0.000 0.655 534 S N 0.216 115.896 115.700 -0.033 0.000 2.544 534 S HA 0.507 4.977 4.470 -0.001 0.000 0.290 534 S C 1.834 176.429 174.600 -0.008 0.000 1.276 534 S CA 2.057 60.269 58.200 0.019 0.000 1.075 534 S CB 0.119 63.370 63.200 0.085 0.000 0.849 534 S HN 2.712 nan 8.310 nan 0.000 0.494 535 G N 2.870 111.659 108.800 -0.017 0.000 2.175 535 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.244 535 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.244 535 G C 0.589 175.454 174.900 -0.058 0.000 0.982 535 G CA 0.275 45.353 45.100 -0.036 0.000 0.641 535 G HN 0.903 nan 8.290 nan 0.000 0.527 536 V N -0.339 119.524 119.914 -0.085 0.000 2.690 536 V HA 0.441 4.561 4.120 -0.001 0.000 0.240 536 V C 0.821 176.845 176.094 -0.117 0.000 1.078 536 V CA 1.851 64.084 62.300 -0.112 0.000 1.102 536 V CB 0.846 32.566 31.823 -0.171 0.000 0.800 536 V HN 0.524 nan 8.190 nan 0.000 0.479 537 E N -0.097 120.029 120.200 -0.124 0.000 2.335 537 E HA 0.171 4.521 4.350 -0.001 0.000 0.280 537 E C -1.790 174.772 176.600 -0.063 0.000 0.918 537 E CA -0.563 55.777 56.400 -0.101 0.000 0.765 537 E CB 1.856 31.470 29.700 -0.143 0.000 1.218 537 E HN 0.134 nan 8.360 nan 0.000 0.425 538 D N 2.486 122.869 120.400 -0.027 0.000 2.453 538 D HA 0.098 4.738 4.640 -0.001 0.000 0.223 538 D C 0.280 176.584 176.300 0.006 0.000 1.183 538 D CA 0.327 54.332 54.000 0.008 0.000 0.933 538 D CB 0.604 41.416 40.800 0.021 0.000 1.038 538 D HN 0.418 nan 8.370 nan 0.000 0.513 539 S N 2.645 118.345 115.700 -0.000 0.000 2.631 539 S HA 0.181 4.651 4.470 -0.001 0.000 0.246 539 S C 0.817 175.420 174.600 0.004 0.000 1.068 539 S CA -0.471 57.723 58.200 -0.011 0.000 0.995 539 S CB 0.586 63.758 63.200 -0.047 0.000 0.944 539 S HN 0.229 nan 8.310 nan 0.000 0.529 540 R N 2.999 123.501 120.500 0.004 0.000 2.438 540 R HA 0.403 4.742 4.340 -0.001 0.000 0.287 540 R C 0.012 176.356 176.300 0.073 0.000 1.077 540 R CA 0.315 56.404 56.100 -0.017 0.000 1.034 540 R CB 0.653 30.837 30.300 -0.193 0.000 0.993 540 R HN 0.497 nan 8.270 nan 0.000 0.459 541 T N -0.677 113.923 114.554 0.076 0.000 2.889 541 T HA 0.154 4.504 4.350 -0.001 0.000 0.291 541 T C 0.339 175.149 174.700 0.183 0.000 0.995 541 T CA -0.714 61.453 62.100 0.113 0.000 1.092 541 T CB 1.378 70.299 68.868 0.088 0.000 0.954 541 T HN 0.332 nan 8.240 nan 0.000 0.506 542 T N 3.891 118.561 114.554 0.193 0.000 2.794 542 T HA 0.330 4.680 4.350 -0.001 0.000 0.296 542 T C 0.588 175.398 174.700 0.184 0.000 0.949 542 T CA -0.456 61.780 62.100 0.227 0.000 1.101 542 T CB -0.004 68.958 68.868 0.156 0.000 0.905 542 T HN 0.558 nan 8.240 nan 0.000 0.516 543 I N 4.507 125.207 120.570 0.216 0.000 2.494 543 I HA 0.139 4.309 4.170 -0.001 0.000 0.289 543 I C 0.394 176.601 176.117 0.150 0.000 1.106 543 I CA 0.100 61.505 61.300 0.175 0.000 1.369 543 I CB 0.139 38.246 38.000 0.178 0.000 1.410 543 I HN 0.439 nan 8.210 nan 0.000 0.523 544 I N 8.218 128.861 120.570 0.121 0.000 2.291 544 I HA 0.297 4.466 4.170 -0.001 0.000 0.292 544 I C -0.072 176.108 176.117 0.104 0.000 1.064 544 I CA -0.185 61.178 61.300 0.105 0.000 1.269 544 I CB 0.375 38.424 38.000 0.082 0.000 1.418 544 I HN 0.419 nan 8.210 nan 0.000 0.485 545 L N 5.612 126.901 121.223 0.109 0.000 2.319 545 L HA 0.945 5.284 4.340 -0.001 0.000 0.267 545 L C 0.184 177.112 176.870 0.096 0.000 1.011 545 L CA -0.685 54.218 54.840 0.105 0.000 0.818 545 L CB 2.212 44.339 42.059 0.114 0.000 1.316 545 L HN 0.662 nan 8.230 nan 0.000 0.432 546 G N -0.137 108.716 108.800 0.088 0.000 2.498 546 G HA2 0.133 4.093 3.960 -0.001 0.000 0.301 546 G HA3 0.133 4.093 3.960 -0.001 0.000 0.301 546 G C -0.145 174.798 174.900 0.071 0.000 1.577 546 G CA -0.402 44.746 45.100 0.080 0.000 0.868 546 G HN 0.718 nan 8.290 nan 0.000 0.599 547 E N 0.332 120.572 120.200 0.066 0.000 2.136 547 E HA -0.220 4.130 4.350 -0.001 0.000 0.202 547 E C 0.999 177.628 176.600 0.048 0.000 1.019 547 E CA 1.930 58.362 56.400 0.054 0.000 0.819 547 E CB 0.115 29.843 29.700 0.046 0.000 0.739 547 E HN 0.448 nan 8.360 nan 0.000 0.458 548 D N -0.641 119.787 120.400 0.047 0.000 2.339 548 D HA 0.062 4.702 4.640 -0.001 0.000 0.217 548 D C 1.357 177.683 176.300 0.044 0.000 1.050 548 D CA 0.304 54.329 54.000 0.041 0.000 0.856 548 D CB 0.680 41.502 40.800 0.037 0.000 0.922 548 D HN 0.342 nan 8.370 nan 0.000 0.518 549 I N -1.129 119.472 120.570 0.052 0.000 4.193 549 I HA 0.161 4.330 4.170 -0.001 0.000 0.287 549 I C -1.218 174.936 176.117 0.063 0.000 1.175 549 I CA 0.018 61.350 61.300 0.054 0.000 1.320 549 I CB 1.268 39.301 38.000 0.055 0.000 1.523 549 I HN -0.179 nan 8.210 nan 0.000 0.450 550 L N 1.496 122.762 121.223 0.072 0.000 2.795 550 L HA 0.489 4.828 4.340 -0.001 0.000 0.260 550 L C -2.541 174.382 176.870 0.089 0.000 0.935 550 L CA -0.883 54.008 54.840 0.085 0.000 0.985 550 L CB 1.649 43.766 42.059 0.097 0.000 1.433 550 L HN -0.153 nan 8.230 nan 0.000 0.447 551 P HA 0.069 nan 4.420 nan 0.000 0.222 551 P C -0.147 177.209 177.300 0.094 0.000 1.153 551 P CA 0.880 64.030 63.100 0.084 0.000 0.798 551 P CB 0.316 32.058 31.700 0.070 0.000 0.796 552 S N -2.151 113.617 115.700 0.114 0.000 2.607 552 S HA 0.741 5.210 4.470 -0.001 0.000 0.273 552 S C -1.173 173.535 174.600 0.180 0.000 1.148 552 S CA -0.714 57.562 58.200 0.126 0.000 0.833 552 S CB 2.522 65.789 63.200 0.112 0.000 1.130 552 S HN -0.146 nan 8.310 nan 0.000 0.470 553 K N 0.659 121.170 120.400 0.185 0.000 2.535 553 K HA 0.544 4.864 4.320 -0.001 0.000 0.250 553 K C -2.006 174.764 176.600 0.284 0.000 0.948 553 K CA -0.246 56.195 56.287 0.257 0.000 0.796 553 K CB 0.911 33.522 32.500 0.185 0.000 1.216 553 K HN 0.836 nan 8.250 nan 0.000 0.432 554 H N 1.225 120.453 119.070 0.262 0.000 2.646 554 H HA 0.411 4.967 4.556 -0.001 0.000 0.325 554 H C -0.133 175.436 175.328 0.402 0.000 1.075 554 H CA -0.131 56.116 56.048 0.332 0.000 1.421 554 H CB 0.918 30.962 29.762 0.470 0.000 1.461 554 H HN 0.407 nan 8.280 nan 0.000 0.525 555 V N 1.206 121.366 119.914 0.411 0.000 3.046 555 V HA 0.798 4.918 4.120 -0.001 0.000 0.316 555 V C -0.578 175.842 176.094 0.543 0.000 1.104 555 V CA -0.905 61.636 62.300 0.402 0.000 1.006 555 V CB 2.168 33.965 31.823 -0.043 0.000 1.058 555 V HN 0.447 nan 8.190 nan 0.000 0.440 556 V N 2.866 123.119 119.914 0.565 0.000 2.760 556 V HA 0.603 4.722 4.120 -0.001 0.000 0.309 556 V C -0.546 175.884 176.094 0.560 0.000 1.077 556 V CA -0.357 62.240 62.300 0.497 0.000 0.910 556 V CB 1.840 33.808 31.823 0.240 0.000 1.008 556 V HN 0.933 nan 8.190 nan 0.000 0.424 557 M N 4.243 124.144 119.600 0.501 0.000 2.336 557 M HA 0.480 4.960 4.480 -0.001 0.000 0.342 557 M C -0.489 176.054 176.300 0.405 0.000 1.128 557 M CA -0.202 55.361 55.300 0.438 0.000 1.016 557 M CB 1.100 33.913 32.600 0.354 0.000 1.665 557 M HN 0.755 nan 8.290 nan 0.000 0.445 558 H N 2.152 121.412 119.070 0.317 0.000 2.469 558 H HA 0.472 5.028 4.556 -0.001 0.000 0.342 558 H C -1.307 174.130 175.328 0.182 0.000 1.115 558 H CA -0.561 55.638 56.048 0.251 0.000 1.204 558 H CB 1.171 31.130 29.762 0.328 0.000 1.492 558 H HN 0.657 nan 8.280 nan 0.000 0.499 559 N N 3.240 121.673 118.700 -0.444 0.000 2.626 559 N HA 0.035 4.774 4.740 -0.001 0.000 0.249 559 N C 0.403 175.598 175.510 -0.526 0.000 1.021 559 N CA -0.306 52.516 53.050 -0.379 0.000 0.886 559 N CB 1.438 39.823 38.487 -0.170 0.000 1.149 559 N HN 0.638 nan 8.380 nan 0.000 0.517 560 T N 2.760 117.030 114.554 -0.474 0.000 3.007 560 T HA 0.104 4.454 4.350 -0.001 0.000 0.270 560 T C 0.709 175.387 174.700 -0.038 0.000 1.107 560 T CA 0.612 62.626 62.100 -0.143 0.000 1.118 560 T CB -0.261 68.661 68.868 0.091 0.000 0.889 560 T HN 0.422 nan 8.240 nan 0.000 0.506 561 L N 2.844 123.991 121.223 -0.126 0.000 2.397 561 L HA 0.265 4.604 4.340 -0.001 0.000 0.271 561 L C -1.564 175.181 176.870 -0.208 0.000 1.148 561 L CA -1.753 52.973 54.840 -0.189 0.000 0.825 561 L CB 0.622 42.438 42.059 -0.404 0.000 1.117 561 L HN -0.013 nan 8.230 nan 0.000 0.456 562 P HA 0.030 nan 4.420 nan 0.000 0.254 562 P C -0.870 176.465 177.300 0.059 0.000 1.631 562 P CA 0.402 63.508 63.100 0.011 0.000 0.861 562 P CB -0.386 31.375 31.700 0.101 0.000 1.663 563 H N -3.352 115.750 119.070 0.054 0.000 3.012 563 H HA 0.235 4.791 4.556 -0.001 0.000 0.367 563 H C -1.026 174.345 175.328 0.072 0.000 1.211 563 H CA -1.112 54.987 56.048 0.086 0.000 1.139 563 H CB -0.000 29.840 29.762 0.131 0.000 1.838 563 H HN -0.139 nan 8.280 nan 0.000 0.550 564 W N 1.792 123.212 121.300 0.200 0.000 2.314 564 W HA 0.176 4.836 4.660 -0.001 0.000 0.339 564 W C 0.897 177.530 176.519 0.189 0.000 1.293 564 W CA 0.487 57.914 57.345 0.137 0.000 1.288 564 W CB 0.413 29.937 29.460 0.106 0.000 1.186 564 W HN 0.527 nan 8.180 nan 0.000 0.566 565 R N 2.446 123.158 120.500 0.355 0.000 2.564 565 R HA 0.276 4.615 4.340 -0.001 0.000 0.284 565 R C -1.082 175.355 176.300 0.229 0.000 1.031 565 R CA -0.662 55.594 56.100 0.260 0.000 0.904 565 R CB 1.308 31.689 30.300 0.135 0.000 1.199 565 R HN 0.486 nan 8.270 nan 0.000 0.443 566 E N 2.727 123.039 120.200 0.187 0.000 2.191 566 E HA 0.217 4.567 4.350 -0.001 0.000 0.278 566 E C -1.171 175.478 176.600 0.082 0.000 0.972 566 E CA -0.689 55.795 56.400 0.140 0.000 0.804 566 E CB 2.235 32.011 29.700 0.126 0.000 1.110 566 E HN 0.399 nan 8.360 nan 0.000 0.394 567 Q N 3.394 123.219 119.800 0.043 0.000 2.320 567 Q HA 0.245 4.585 4.340 -0.001 0.000 0.272 567 Q C -1.382 174.578 176.000 -0.067 0.000 1.023 567 Q CA -0.643 55.155 55.803 -0.008 0.000 0.855 567 Q CB 1.427 30.152 28.738 -0.023 0.000 1.367 567 Q HN 0.561 nan 8.270 nan 0.000 0.406 568 L N 3.273 124.452 121.223 -0.074 0.000 2.490 568 L HA 0.253 4.593 4.340 -0.001 0.000 0.274 568 L C 0.260 176.996 176.870 -0.224 0.000 1.201 568 L CA -0.186 54.572 54.840 -0.138 0.000 0.869 568 L CB 0.288 42.303 42.059 -0.074 0.000 1.123 568 L HN 0.466 nan 8.230 nan 0.000 0.484 569 V N -0.354 119.324 119.914 -0.394 0.000 2.823 569 V HA 0.698 4.818 4.120 -0.001 0.000 0.312 569 V C -0.864 174.957 176.094 -0.455 0.000 1.072 569 V CA -0.858 61.163 62.300 -0.464 0.000 0.937 569 V CB 2.156 33.648 31.823 -0.553 0.000 1.013 569 V HN 0.800 nan 8.190 nan 0.000 0.430 570 D N 1.943 122.077 120.400 -0.443 0.000 2.527 570 D HA 0.628 5.267 4.640 -0.001 0.000 0.233 570 D C -1.418 174.580 176.300 -0.503 0.000 1.063 570 D CA -0.448 53.398 54.000 -0.256 0.000 0.880 570 D CB 2.446 43.190 40.800 -0.094 0.000 1.457 570 D HN 0.457 nan 8.370 nan 0.000 0.475 571 F N 0.051 120.042 119.950 0.069 0.000 2.588 571 F HA 0.308 4.834 4.527 -0.001 0.000 0.310 571 F C -0.536 175.404 175.800 0.233 0.000 1.082 571 F CA -1.052 57.002 58.000 0.091 0.000 0.929 571 F CB 1.593 40.696 39.000 0.171 0.000 1.254 571 F HN 0.152 nan 8.300 nan 0.000 0.455 572 Y N 2.357 122.810 120.300 0.255 0.000 2.359 572 Y HA 0.514 5.063 4.550 -0.001 0.000 0.330 572 Y C 0.272 176.299 175.900 0.211 0.000 1.143 572 Y CA -1.330 56.877 58.100 0.179 0.000 1.318 572 Y CB 0.669 39.188 38.460 0.098 0.000 1.234 572 Y HN 0.346 nan 8.280 nan 0.000 0.522 573 V N -0.414 119.709 119.914 0.349 0.000 2.962 573 V HA 0.564 4.684 4.120 -0.001 0.000 0.313 573 V C 0.329 176.574 176.094 0.251 0.000 1.099 573 V CA -0.687 61.777 62.300 0.273 0.000 0.971 573 V CB 1.773 33.749 31.823 0.256 0.000 1.028 573 V HN 0.671 nan 8.190 nan 0.000 0.430 574 S N 0.535 116.358 115.700 0.205 0.000 2.593 574 S HA 0.283 4.752 4.470 -0.001 0.000 0.217 574 S C 0.634 175.378 174.600 0.241 0.000 0.966 574 S CA 0.474 58.788 58.200 0.189 0.000 0.914 574 S CB -0.334 62.943 63.200 0.127 0.000 0.776 574 S HN 1.598 nan 8.310 nan 0.000 0.523 575 S N 1.163 116.992 115.700 0.216 0.000 2.533 575 S HA 0.544 5.014 4.470 -0.001 0.000 0.271 575 S C -2.654 171.826 174.600 -0.201 0.000 1.143 575 S CA -1.226 56.968 58.200 -0.011 0.000 0.891 575 S CB 1.914 65.130 63.200 0.027 0.000 1.105 575 S HN 0.008 nan 8.310 nan 0.000 0.468 576 P HA 0.167 nan 4.420 nan 0.000 0.236 576 P C -0.128 177.006 177.300 -0.275 0.000 1.177 576 P CA 0.388 63.117 63.100 -0.619 0.000 0.773 576 P CB -0.196 30.859 31.700 -1.075 0.000 0.878 577 F N 0.925 120.888 119.950 0.021 0.000 2.541 577 F HA 0.263 4.790 4.527 -0.001 0.000 0.351 577 F C 0.496 176.341 175.800 0.076 0.000 1.209 577 F CA -1.030 57.013 58.000 0.072 0.000 1.277 577 F CB -0.162 38.843 39.000 0.007 0.000 1.632 577 F HN -0.328 nan 8.300 nan 0.000 0.619 578 V N 1.017 121.060 119.914 0.215 0.000 2.709 578 V HA 0.675 4.795 4.120 -0.001 0.000 0.308 578 V C -0.324 175.838 176.094 0.113 0.000 1.062 578 V CA -0.863 61.523 62.300 0.144 0.000 0.901 578 V CB 2.261 34.160 31.823 0.128 0.000 1.003 578 V HN 0.511 nan 8.190 nan 0.000 0.425 579 S N 2.925 118.673 115.700 0.080 0.000 2.634 579 S HA 0.910 5.380 4.470 -0.001 0.000 0.296 579 S C -1.006 173.580 174.600 -0.024 0.000 1.104 579 S CA -0.830 57.398 58.200 0.047 0.000 0.920 579 S CB 2.149 65.397 63.200 0.079 0.000 1.111 579 S HN 0.470 nan 8.310 nan 0.000 0.493 580 V N 1.716 121.579 119.914 -0.085 0.000 2.604 580 V HA 0.814 4.934 4.120 -0.001 0.000 0.305 580 V C -0.032 175.969 176.094 -0.156 0.000 1.043 580 V CA -0.447 61.721 62.300 -0.220 0.000 0.888 580 V CB 1.602 33.096 31.823 -0.547 0.000 0.995 580 V HN 1.217 nan 8.190 nan 0.000 0.429 581 T N -0.497 113.984 114.554 -0.123 0.000 2.906 581 T HA 0.665 5.014 4.350 -0.001 0.000 0.295 581 T C -0.775 173.896 174.700 -0.048 0.000 1.075 581 T CA -0.899 61.151 62.100 -0.082 0.000 1.005 581 T CB 2.105 70.918 68.868 -0.092 0.000 1.136 581 T HN 0.712 nan 8.240 nan 0.000 0.498 582 D N 0.646 120.989 120.400 -0.094 0.000 2.478 582 D HA 0.244 4.883 4.640 -0.001 0.000 0.274 582 D C 0.813 176.973 176.300 -0.232 0.000 1.234 582 D CA -1.090 52.741 54.000 -0.281 0.000 1.069 582 D CB 0.204 40.824 40.800 -0.300 0.000 1.113 582 D HN 0.323 nan 8.370 nan 0.000 0.571 583 L N -0.847 120.228 121.223 -0.247 0.000 2.591 583 L HA 0.315 4.654 4.340 -0.001 0.000 0.228 583 L C 1.724 178.519 176.870 -0.125 0.000 1.133 583 L CA 0.492 55.228 54.840 -0.174 0.000 0.880 583 L CB -0.666 41.298 42.059 -0.159 0.000 1.033 583 L HN 0.626 nan 8.230 nan 0.000 0.450 584 A N -1.029 121.721 122.820 -0.117 0.000 2.307 584 A HA 0.116 4.436 4.320 -0.001 0.000 0.218 584 A C 1.227 178.765 177.584 -0.078 0.000 1.228 584 A CA 0.369 52.355 52.037 -0.085 0.000 0.857 584 A CB -0.457 18.498 19.000 -0.074 0.000 0.897 584 A HN 0.463 nan 8.150 nan 0.000 0.495 585 N N -0.117 118.529 118.700 -0.091 0.000 2.800 585 N HA -0.141 4.598 4.740 -0.001 0.000 0.250 585 N C -0.986 174.478 175.510 -0.076 0.000 1.078 585 N CA 0.887 53.890 53.050 -0.079 0.000 0.804 585 N CB -1.941 36.511 38.487 -0.058 0.000 1.135 585 N HN 0.557 nan 8.380 nan 0.000 0.565 586 N N 1.017 119.667 118.700 -0.083 0.000 2.520 586 N HA 0.255 4.995 4.740 -0.001 0.000 0.273 586 N C -2.480 172.960 175.510 -0.116 0.000 1.155 586 N CA -0.791 52.206 53.050 -0.088 0.000 0.967 586 N CB 0.501 38.946 38.487 -0.070 0.000 1.092 586 N HN 0.228 nan 8.380 nan 0.000 0.457 587 P HA 0.068 nan 4.420 nan 0.000 0.268 587 P C -0.531 176.633 177.300 -0.227 0.000 1.205 587 P CA -0.053 62.862 63.100 -0.309 0.000 0.771 587 P CB 0.692 31.921 31.700 -0.785 0.000 0.858 588 V N 2.891 122.716 119.914 -0.148 0.000 2.448 588 V HA 0.216 4.336 4.120 -0.001 0.000 0.295 588 V C 0.404 176.489 176.094 -0.015 0.000 1.025 588 V CA -0.774 61.495 62.300 -0.051 0.000 0.859 588 V CB 1.440 33.245 31.823 -0.031 0.000 0.988 588 V HN 0.528 nan 8.190 nan 0.000 0.431 589 E N 2.907 123.140 120.200 0.055 0.000 2.415 589 E HA 0.467 4.817 4.350 -0.001 0.000 0.263 589 E C -0.246 176.426 176.600 0.119 0.000 0.995 589 E CA 0.011 56.477 56.400 0.110 0.000 0.915 589 E CB 0.906 30.676 29.700 0.116 0.000 0.951 589 E HN 0.871 nan 8.360 nan 0.000 0.449 590 A N 4.401 127.281 122.820 0.101 0.000 2.469 590 A HA 0.420 4.740 4.320 -0.001 0.000 0.299 590 A C -1.198 176.408 177.584 0.038 0.000 1.098 590 A CA -0.705 51.402 52.037 0.116 0.000 0.737 590 A CB 1.923 20.984 19.000 0.101 0.000 1.312 590 A HN 0.670 nan 8.150 nan 0.000 0.414 591 Q N 0.773 120.601 119.800 0.048 0.000 2.375 591 Q HA 0.664 5.004 4.340 -0.001 0.000 0.271 591 Q C -1.987 174.003 176.000 -0.017 0.000 1.074 591 Q CA -0.582 55.205 55.803 -0.026 0.000 0.808 591 Q CB 2.179 30.938 28.738 0.036 0.000 1.327 591 Q HN 0.564 nan 8.270 nan 0.000 0.441 592 V N 2.593 122.425 119.914 -0.137 0.000 2.459 592 V HA 0.548 4.667 4.120 -0.001 0.000 0.295 592 V C -0.604 175.666 176.094 0.293 0.000 1.029 592 V CA -0.385 61.941 62.300 0.044 0.000 0.874 592 V CB 1.746 33.541 31.823 -0.047 0.000 0.985 592 V HN 0.837 nan 8.190 nan 0.000 0.438 593 S N 5.348 121.257 115.700 0.349 0.000 2.599 593 S HA 0.694 5.164 4.470 -0.001 0.000 0.294 593 S C -2.760 171.946 174.600 0.178 0.000 1.094 593 S CA -1.262 57.139 58.200 0.335 0.000 0.931 593 S CB 2.327 65.666 63.200 0.231 0.000 1.093 593 S HN 0.527 nan 8.310 nan 0.000 0.488 594 P HA 0.208 nan 4.420 nan 0.000 0.273 594 P C -1.133 175.894 177.300 -0.455 0.000 1.250 594 P CA -0.465 62.305 63.100 -0.550 0.000 0.793 594 P CB 0.349 31.346 31.700 -1.172 0.000 1.011 595 V N 1.590 121.143 119.914 -0.602 0.000 2.348 595 V HA 0.205 4.325 4.120 -0.001 0.000 0.270 595 V C -0.561 175.238 176.094 -0.491 0.000 1.037 595 V CA -0.207 61.817 62.300 -0.459 0.000 0.872 595 V CB -0.197 31.255 31.823 -0.617 0.000 1.002 595 V HN 0.521 nan 8.190 nan 0.000 0.464 596 W N 3.380 124.597 121.300 -0.138 0.000 2.429 596 W HA 0.619 5.279 4.660 -0.001 0.000 0.314 596 W C 0.339 176.783 176.519 -0.126 0.000 1.062 596 W CA -0.396 56.851 57.345 -0.164 0.000 1.211 596 W CB 1.844 31.216 29.460 -0.147 0.000 1.305 596 W HN 0.567 nan 8.180 nan 0.000 0.476 597 S N 1.550 117.271 115.700 0.035 0.000 2.500 597 S HA 0.555 5.024 4.470 -0.001 0.000 0.301 597 S C -1.322 173.100 174.600 -0.297 0.000 1.092 597 S CA -0.948 57.210 58.200 -0.070 0.000 1.030 597 S CB 1.065 64.192 63.200 -0.121 0.000 1.031 597 S HN 0.397 nan 8.310 nan 0.000 0.483 598 W N 1.275 122.380 121.300 -0.325 0.000 2.417 598 W HA 0.533 5.192 4.660 -0.000 0.000 0.317 598 W C 0.131 176.315 176.519 -0.560 0.000 1.121 598 W CA -0.151 57.005 57.345 -0.315 0.000 1.208 598 W CB 0.750 30.111 29.460 -0.165 0.000 1.253 598 W HN 0.738 nan 8.180 nan 0.000 0.533 599 H N 0.397 119.483 119.070 0.028 0.000 2.689 599 H HA 0.132 4.687 4.556 -0.001 0.000 0.346 599 H C -0.803 174.546 175.328 0.035 0.000 1.037 599 H CA -1.050 54.976 56.048 -0.037 0.000 1.234 599 H CB 1.293 30.938 29.762 -0.194 0.000 1.572 599 H HN 0.331 nan 8.280 nan 0.000 0.524 600 H N 2.580 121.722 119.070 0.121 0.000 3.089 600 H HA 0.052 4.607 4.556 -0.001 0.000 0.262 600 H C -0.597 174.800 175.328 0.115 0.000 1.160 600 H CA -0.530 55.584 56.048 0.110 0.000 1.482 600 H CB 0.087 29.893 29.762 0.074 0.000 1.511 600 H HN 0.523 nan 8.280 nan 0.000 0.483 601 D N 3.740 124.126 120.400 -0.023 0.000 2.352 601 D HA -0.016 4.624 4.640 -0.001 0.000 0.245 601 D C 0.887 177.028 176.300 -0.265 0.000 1.224 601 D CA 0.067 54.035 54.000 -0.054 0.000 0.879 601 D CB 0.753 41.717 40.800 0.274 0.000 1.057 601 D HN 0.770 nan 8.370 nan 0.000 0.491 602 T N 1.322 115.672 114.554 -0.339 0.000 3.118 602 T HA -0.057 4.293 4.350 -0.001 0.000 0.260 602 T C 1.746 176.392 174.700 -0.089 0.000 1.139 602 T CA 0.113 62.053 62.100 -0.266 0.000 1.085 602 T CB 0.202 68.959 68.868 -0.185 0.000 0.934 602 T HN 0.237 nan 8.240 nan 0.000 0.518 603 L N 2.271 123.460 121.223 -0.056 0.000 2.121 603 L HA 0.121 4.460 4.340 -0.001 0.000 0.200 603 L C 3.036 179.904 176.870 -0.002 0.000 1.077 603 L CA 2.101 56.928 54.840 -0.021 0.000 0.766 603 L CB -2.084 39.964 42.059 -0.018 0.000 0.931 603 L HN 0.521 nan 8.230 nan 0.000 0.452 604 T N -3.364 111.196 114.554 0.009 0.000 3.055 604 T HA -0.075 4.275 4.350 -0.001 0.000 0.265 604 T C 0.816 175.548 174.700 0.053 0.000 1.111 604 T CA 0.083 62.192 62.100 0.014 0.000 1.118 604 T CB -0.073 68.784 68.868 -0.020 0.000 0.909 604 T HN 0.175 nan 8.240 nan 0.000 0.501 605 K N 2.005 122.455 120.400 0.082 0.000 3.117 605 K HA -0.124 4.195 4.320 -0.001 0.000 0.269 605 K C 0.119 176.846 176.600 0.213 0.000 1.098 605 K CA 1.259 57.648 56.287 0.170 0.000 0.785 605 K CB -2.883 29.692 32.500 0.125 0.000 1.242 605 K HN 0.889 nan 8.250 nan 0.000 0.491 606 T N -2.729 111.975 114.554 0.249 0.000 2.906 606 T HA 0.798 5.148 4.350 -0.001 0.000 0.295 606 T C 0.229 175.180 174.700 0.417 0.000 1.075 606 T CA -1.063 61.200 62.100 0.272 0.000 1.005 606 T CB 2.162 71.142 68.868 0.186 0.000 1.136 606 T HN 0.126 nan 8.240 nan 0.000 0.498 607 I N 3.100 123.892 120.570 0.369 0.000 2.330 607 I HA 0.512 4.681 4.170 -0.001 0.000 0.289 607 I C -0.162 176.262 176.117 0.511 0.000 1.001 607 I CA -0.588 60.950 61.300 0.397 0.000 1.193 607 I CB 0.539 38.700 38.000 0.269 0.000 1.345 607 I HN 0.922 nan 8.210 nan 0.000 0.461 608 H N 5.672 124.918 119.070 0.293 0.000 3.016 608 H HA 0.679 5.235 4.556 -0.001 0.000 0.362 608 H C -3.138 171.993 175.328 -0.327 0.000 1.233 608 H CA -2.478 53.574 56.048 0.007 0.000 1.124 608 H CB 1.845 31.613 29.762 0.010 0.000 1.850 608 H HN 0.154 nan 8.280 nan 0.000 0.549 609 P HA 0.193 nan 4.420 nan 0.000 0.288 609 P C -1.018 176.213 177.300 -0.115 0.000 1.267 609 P CA -0.658 61.914 63.100 -0.880 0.000 0.815 609 P CB 1.625 32.499 31.700 -1.377 0.000 0.989 610 Q N 1.045 120.872 119.800 0.045 0.000 2.337 610 Q HA 0.547 4.887 4.340 -0.001 0.000 0.266 610 Q C 0.258 176.294 176.000 0.061 0.000 1.023 610 Q CA -0.631 55.262 55.803 0.149 0.000 0.829 610 Q CB 2.687 31.484 28.738 0.099 0.000 1.306 610 Q HN 0.559 nan 8.270 nan 0.000 0.449 611 G N 0.883 109.557 108.800 -0.209 0.000 2.356 611 G HA2 0.267 4.226 3.960 -0.001 0.000 0.298 611 G HA3 0.267 4.226 3.960 -0.001 0.000 0.298 611 G C -0.099 174.502 174.900 -0.498 0.000 1.145 611 G CA -0.297 44.316 45.100 -0.811 0.000 0.850 611 G HN 0.443 nan 8.290 nan 0.000 0.487 612 S N 0.211 115.581 115.700 -0.551 0.000 2.562 612 S HA 0.235 4.705 4.470 -0.001 0.000 0.281 612 S C 1.634 175.963 174.600 -0.451 0.000 1.333 612 S CA 0.327 58.257 58.200 -0.450 0.000 1.052 612 S CB 0.663 63.549 63.200 -0.522 0.000 0.884 612 S HN 0.835 nan 8.310 nan 0.000 0.506 613 T N 0.105 114.482 114.554 -0.296 0.000 3.040 613 T HA 0.103 4.452 4.350 -0.001 0.000 0.250 613 T C 1.346 175.947 174.700 -0.165 0.000 1.058 613 T CA 0.536 62.528 62.100 -0.180 0.000 0.988 613 T CB -0.231 68.591 68.868 -0.075 0.000 0.993 613 T HN 0.721 nan 8.240 nan 0.000 0.519 614 T N -1.190 113.190 114.554 -0.290 0.000 2.985 614 T HA 0.371 4.720 4.350 -0.001 0.000 0.254 614 T C 0.341 174.854 174.700 -0.312 0.000 1.021 614 T CA -0.472 61.511 62.100 -0.195 0.000 0.957 614 T CB 0.134 68.936 68.868 -0.111 0.000 1.047 614 T HN 0.346 nan 8.240 nan 0.000 0.511 615 K N 0.362 120.356 120.400 -0.678 0.000 2.435 615 K HA 0.655 4.975 4.320 -0.001 0.000 0.251 615 K C -1.894 174.026 176.600 -1.133 0.000 0.954 615 K CA -0.932 54.982 56.287 -0.622 0.000 0.820 615 K CB 2.110 34.310 32.500 -0.499 0.000 1.292 615 K HN 0.130 nan 8.250 nan 0.000 0.436 616 Y N -0.160 120.070 120.300 -0.117 0.000 2.581 616 Y HA 0.434 4.984 4.550 -0.001 0.000 0.345 616 Y C -0.329 175.607 175.900 0.059 0.000 1.036 616 Y CA -1.210 56.860 58.100 -0.050 0.000 1.042 616 Y CB 1.825 40.317 38.460 0.054 0.000 1.289 616 Y HN 0.238 nan 8.280 nan 0.000 0.471 617 R N 1.837 122.489 120.500 0.253 0.000 2.294 617 R HA 0.568 4.908 4.340 -0.001 0.000 0.319 617 R C -1.193 175.283 176.300 0.293 0.000 0.984 617 R CA -0.631 55.662 56.100 0.320 0.000 0.861 617 R CB 1.676 32.140 30.300 0.272 0.000 1.104 617 R HN 0.665 nan 8.270 nan 0.000 0.451 618 I N 4.143 124.903 120.570 0.317 0.000 2.412 618 I HA 0.415 4.585 4.170 -0.001 0.000 0.296 618 I C -0.961 175.336 176.117 0.300 0.000 0.987 618 I CA -0.708 60.764 61.300 0.286 0.000 1.180 618 I CB 0.939 39.117 38.000 0.297 0.000 1.340 618 I HN 0.540 nan 8.210 nan 0.000 0.455 619 I N 8.108 128.821 120.570 0.239 0.000 2.509 619 I HA 0.529 4.699 4.170 -0.001 0.000 0.293 619 I C -0.936 175.329 176.117 0.246 0.000 1.020 619 I CA -0.560 60.830 61.300 0.150 0.000 1.088 619 I CB 1.662 39.713 38.000 0.085 0.000 1.267 619 I HN 0.548 nan 8.210 nan 0.000 0.430 620 F N 2.504 122.476 119.950 0.036 0.000 2.711 620 F HA 0.568 5.094 4.527 -0.000 0.000 0.313 620 F C -1.023 174.757 175.800 -0.033 0.000 1.141 620 F CA -1.344 56.655 58.000 -0.003 0.000 0.941 620 F CB 1.307 40.289 39.000 -0.030 0.000 1.349 620 F HN 0.199 nan 8.300 nan 0.000 0.464 621 K N 1.942 122.440 120.400 0.163 0.000 2.284 621 K HA 0.707 5.027 4.320 -0.001 0.000 0.287 621 K C -0.542 176.122 176.600 0.107 0.000 1.081 621 K CA -0.316 56.009 56.287 0.063 0.000 0.910 621 K CB 0.714 33.280 32.500 0.110 0.000 1.088 621 K HN 0.911 nan 8.250 nan 0.000 0.478 622 A N 4.595 127.375 122.820 -0.066 0.000 2.327 622 A HA 0.384 4.703 4.320 -0.001 0.000 0.283 622 A C -0.536 177.188 177.584 0.234 0.000 1.127 622 A CA -0.578 51.489 52.037 0.051 0.000 0.810 622 A CB 0.596 19.580 19.000 -0.026 0.000 1.066 622 A HN 0.872 nan 8.150 nan 0.000 0.492 623 R N 1.874 122.631 120.500 0.428 0.000 2.439 623 R HA 0.607 4.947 4.340 -0.001 0.000 0.310 623 R C -1.911 174.652 176.300 0.438 0.000 0.955 623 R CA -0.230 56.105 56.100 0.393 0.000 0.853 623 R CB 1.405 31.918 30.300 0.355 0.000 1.171 623 R HN 0.509 nan 8.270 nan 0.000 0.449 624 V N 5.890 126.019 119.914 0.358 0.000 2.709 624 V HA 0.472 4.591 4.120 -0.001 0.000 0.308 624 V C -2.309 173.688 176.094 -0.160 0.000 1.062 624 V CA -2.298 60.099 62.300 0.162 0.000 0.901 624 V CB 1.956 33.850 31.823 0.118 0.000 1.003 624 V HN 0.782 nan 8.190 nan 0.000 0.425 625 P HA 0.219 nan 4.420 nan 0.000 0.271 625 P C -2.750 174.090 177.300 -0.766 0.000 1.233 625 P CA -1.364 60.867 63.100 -1.449 0.000 0.789 625 P CB -0.275 30.734 31.700 -1.152 0.000 0.951 626 P HA 0.065 nan 4.420 nan 0.000 0.264 626 P C 0.195 177.464 177.300 -0.052 0.000 1.193 626 P CA 0.697 63.626 63.100 -0.284 0.000 0.763 626 P CB -0.238 31.363 31.700 -0.167 0.000 0.810 627 M N 0.268 119.883 119.600 0.024 0.000 2.393 627 M HA -0.216 4.264 4.480 -0.001 0.000 0.201 627 M C 0.579 177.109 176.300 0.383 0.000 0.403 627 M CA 1.031 56.491 55.300 0.266 0.000 0.471 627 M CB -2.033 30.797 32.600 0.384 0.000 1.669 627 M HN 0.612 nan 8.290 nan 0.000 0.864 628 G N -0.225 108.654 108.800 0.132 0.000 3.135 628 G HA2 0.938 4.897 3.960 -0.001 0.000 0.278 628 G HA3 0.938 4.897 3.960 -0.001 0.000 0.278 628 G C -1.379 173.663 174.900 0.238 0.000 1.302 628 G CA -0.931 44.235 45.100 0.110 0.000 0.880 628 G HN 0.176 nan 8.290 nan 0.000 0.574 629 L N -0.612 120.720 121.223 0.182 0.000 2.434 629 L HA 0.790 5.130 4.340 -0.001 0.000 0.260 629 L C -0.392 176.567 176.870 0.148 0.000 0.983 629 L CA -0.998 53.973 54.840 0.219 0.000 0.820 629 L CB 2.512 44.703 42.059 0.220 0.000 1.361 629 L HN 0.806 nan 8.230 nan 0.000 0.410 630 A N 0.693 123.639 122.820 0.210 0.000 2.427 630 A HA 0.814 5.134 4.320 -0.001 0.000 0.298 630 A C -0.826 176.899 177.584 0.236 0.000 1.036 630 A CA -0.458 51.688 52.037 0.180 0.000 0.701 630 A CB 1.754 20.903 19.000 0.248 0.000 1.250 630 A HN 0.544 nan 8.150 nan 0.000 0.412 631 T N 2.260 116.851 114.554 0.062 0.000 2.795 631 T HA 0.631 4.980 4.350 -0.001 0.000 0.282 631 T C -1.003 173.604 174.700 -0.156 0.000 0.980 631 T CA 0.288 62.465 62.100 0.129 0.000 1.012 631 T CB 0.260 69.206 68.868 0.130 0.000 0.936 631 T HN 0.434 nan 8.240 nan 0.000 0.457 632 Y N 0.503 120.882 120.300 0.132 0.000 2.633 632 Y HA 0.684 5.234 4.550 -0.001 0.000 0.339 632 Y C -0.261 175.557 175.900 -0.136 0.000 1.045 632 Y CA -1.176 56.912 58.100 -0.021 0.000 1.098 632 Y CB 1.670 40.121 38.460 -0.015 0.000 1.296 632 Y HN 0.296 nan 8.280 nan 0.000 0.494 633 V N 3.031 122.903 119.914 -0.070 0.000 2.531 633 V HA 0.408 4.528 4.120 -0.001 0.000 0.301 633 V C -0.830 175.201 176.094 -0.106 0.000 1.034 633 V CA -0.956 61.239 62.300 -0.175 0.000 0.865 633 V CB 1.734 33.372 31.823 -0.309 0.000 0.995 633 V HN 0.493 nan 8.190 nan 0.000 0.424 634 L N 4.085 125.275 121.223 -0.054 0.000 2.272 634 L HA 0.646 4.986 4.340 -0.001 0.000 0.289 634 L C -0.076 176.809 176.870 0.025 0.000 1.032 634 L CA -0.095 54.731 54.840 -0.024 0.000 0.810 634 L CB 1.658 43.717 42.059 0.000 0.000 1.205 634 L HN 0.604 nan 8.230 nan 0.000 0.422 635 T N 3.804 118.376 114.554 0.030 0.000 2.824 635 T HA 0.457 4.807 4.350 -0.001 0.000 0.282 635 T C -0.151 174.597 174.700 0.079 0.000 0.993 635 T CA -0.387 61.745 62.100 0.053 0.000 0.967 635 T CB 2.370 71.259 68.868 0.035 0.000 0.960 635 T HN 0.373 nan 8.240 nan 0.000 0.441 636 I N 3.225 123.850 120.570 0.092 0.000 2.581 636 I HA 0.477 4.647 4.170 -0.001 0.000 0.288 636 I C 0.369 176.550 176.117 0.105 0.000 1.047 636 I CA 0.270 61.639 61.300 0.115 0.000 1.374 636 I CB 0.658 38.727 38.000 0.115 0.000 1.423 636 I HN 0.828 nan 8.210 nan 0.000 0.549 637 S N 3.724 119.504 115.700 0.132 0.000 2.697 637 S HA 0.408 4.878 4.470 -0.001 0.000 0.289 637 S C 0.036 174.674 174.600 0.062 0.000 1.149 637 S CA -0.827 57.422 58.200 0.080 0.000 0.850 637 S CB 1.557 64.788 63.200 0.051 0.000 1.151 637 S HN 0.613 nan 8.310 nan 0.000 0.491 638 D N 1.009 121.389 120.400 -0.033 0.000 2.277 638 D HA 0.146 4.785 4.640 -0.001 0.000 0.208 638 D C 0.869 176.944 176.300 -0.376 0.000 0.962 638 D CA 1.293 55.232 54.000 -0.102 0.000 0.865 638 D CB 0.182 40.931 40.800 -0.085 0.000 0.939 638 D HN 0.676 nan 8.370 nan 0.000 0.510 639 S N -1.379 114.023 115.700 -0.497 0.000 2.688 639 S HA 0.316 4.785 4.470 -0.001 0.000 0.275 639 S C -0.789 173.458 174.600 -0.588 0.000 1.175 639 S CA -1.091 56.557 58.200 -0.920 0.000 0.818 639 S CB 1.881 64.780 63.200 -0.502 0.000 1.157 639 S HN -0.187 nan 8.310 nan 0.000 0.482 640 K N 1.926 122.049 120.400 -0.462 0.000 2.440 640 K HA 0.148 4.468 4.320 -0.001 0.000 0.275 640 K C -2.413 174.227 176.600 0.066 0.000 1.082 640 K CA -0.452 55.855 56.287 0.033 0.000 1.135 640 K CB -0.697 31.843 32.500 0.065 0.000 0.864 640 K HN 0.370 nan 8.250 nan 0.000 0.479 641 P HA -0.025 nan 4.420 nan 0.000 0.271 641 P C 0.567 177.903 177.300 0.059 0.000 1.218 641 P CA -0.224 62.939 63.100 0.105 0.000 0.780 641 P CB 0.713 32.499 31.700 0.144 0.000 0.901 642 E N 1.363 121.556 120.200 -0.011 0.000 2.118 642 E HA -0.234 4.115 4.350 -0.001 0.000 0.195 642 E C 0.521 176.944 176.600 -0.294 0.000 0.992 642 E CA 1.133 57.429 56.400 -0.173 0.000 0.804 642 E CB -0.024 29.513 29.700 -0.272 0.000 0.741 642 E HN 0.510 nan 8.360 nan 0.000 0.458 643 H N -0.740 118.347 119.070 0.028 0.000 2.505 643 H HA 0.214 4.770 4.556 -0.001 0.000 0.289 643 H C -0.408 174.921 175.328 0.003 0.000 1.052 643 H CA 0.167 56.225 56.048 0.018 0.000 1.156 643 H CB 0.740 30.509 29.762 0.012 0.000 1.507 643 H HN -0.055 nan 8.280 nan 0.000 0.548 644 T N 1.582 116.170 114.554 0.057 0.000 2.812 644 T HA 0.288 4.638 4.350 -0.001 0.000 0.282 644 T C 0.362 174.966 174.700 -0.159 0.000 0.990 644 T CA -0.672 61.394 62.100 -0.057 0.000 0.960 644 T CB 2.081 70.912 68.868 -0.062 0.000 0.948 644 T HN 0.286 nan 8.240 nan 0.000 0.438 645 S N 2.503 118.064 115.700 -0.231 0.000 2.745 645 S HA 0.765 5.235 4.470 -0.001 0.000 0.292 645 S C -1.329 172.925 174.600 -0.577 0.000 1.133 645 S CA -0.767 57.307 58.200 -0.209 0.000 0.998 645 S CB 0.794 63.978 63.200 -0.028 0.000 1.087 645 S HN 0.579 nan 8.310 nan 0.000 0.551 646 Y N -0.095 120.220 120.300 0.024 0.000 2.361 646 Y HA 0.628 5.178 4.550 -0.001 0.000 0.337 646 Y C 0.503 176.467 175.900 0.108 0.000 0.965 646 Y CA -0.796 57.303 58.100 -0.002 0.000 1.091 646 Y CB 1.623 39.951 38.460 -0.220 0.000 1.182 646 Y HN 1.027 nan 8.280 nan 0.000 0.450 647 A N 2.234 125.248 122.820 0.324 0.000 2.462 647 A HA 0.452 4.771 4.320 -0.001 0.000 0.243 647 A C 0.377 178.170 177.584 0.349 0.000 1.076 647 A CA -0.277 51.938 52.037 0.295 0.000 0.773 647 A CB -0.090 19.078 19.000 0.280 0.000 1.010 647 A HN 0.767 nan 8.150 nan 0.000 0.493 648 S N 2.572 118.409 115.700 0.227 0.000 2.617 648 S HA 0.462 4.931 4.470 -0.001 0.000 0.269 648 S C -0.246 174.451 174.600 0.163 0.000 1.292 648 S CA -0.813 57.504 58.200 0.196 0.000 1.010 648 S CB 0.623 63.896 63.200 0.120 0.000 0.944 648 S HN 0.707 nan 8.310 nan 0.000 0.536 649 N N 0.465 119.237 118.700 0.121 0.000 2.249 649 N HA 0.517 5.256 4.740 -0.001 0.000 0.296 649 N C -1.902 173.549 175.510 -0.098 0.000 1.051 649 N CA -0.571 52.500 53.050 0.035 0.000 0.815 649 N CB 2.056 40.633 38.487 0.149 0.000 1.487 649 N HN 0.595 nan 8.380 nan 0.000 0.475 650 L N 2.366 123.485 121.223 -0.172 0.000 2.404 650 L HA 0.468 4.808 4.340 -0.001 0.000 0.272 650 L C -1.584 175.121 176.870 -0.275 0.000 0.980 650 L CA -0.571 54.136 54.840 -0.221 0.000 0.836 650 L CB 1.507 43.496 42.059 -0.116 0.000 1.238 650 L HN 0.423 nan 8.230 nan 0.000 0.408 651 L N 6.670 127.668 121.223 -0.375 0.000 2.265 651 L HA 0.480 4.819 4.340 -0.001 0.000 0.289 651 L C -1.264 175.572 176.870 -0.055 0.000 1.033 651 L CA -0.346 54.343 54.840 -0.252 0.000 0.814 651 L CB 1.170 43.071 42.059 -0.264 0.000 1.203 651 L HN 0.702 nan 8.230 nan 0.000 0.423 652 L N 6.989 128.202 121.223 -0.016 0.000 2.280 652 L HA 0.575 4.915 4.340 -0.001 0.000 0.287 652 L C -0.305 176.606 176.870 0.068 0.000 1.023 652 L CA -0.521 54.342 54.840 0.037 0.000 0.819 652 L CB 1.184 43.255 42.059 0.022 0.000 1.212 652 L HN 0.683 nan 8.230 nan 0.000 0.420 653 R N 1.998 122.551 120.500 0.087 0.000 2.753 653 R HA 0.426 4.766 4.340 -0.001 0.000 0.272 653 R C -1.717 174.622 176.300 0.066 0.000 1.034 653 R CA -1.089 55.057 56.100 0.076 0.000 0.869 653 R CB 0.966 31.313 30.300 0.079 0.000 1.264 653 R HN 0.097 nan 8.270 nan 0.000 0.481 654 K N 1.473 121.901 120.400 0.046 0.000 2.237 654 K HA 0.139 4.459 4.320 -0.001 0.000 0.270 654 K C -0.210 176.397 176.600 0.011 0.000 1.015 654 K CA -0.360 55.944 56.287 0.029 0.000 0.949 654 K CB 0.470 32.984 32.500 0.024 0.000 0.976 654 K HN 0.833 nan 8.250 nan 0.000 0.472 655 N N 0.782 119.478 118.700 -0.008 0.000 2.746 655 N HA -0.108 4.632 4.740 -0.001 0.000 0.250 655 N C -2.588 172.884 175.510 -0.062 0.000 1.055 655 N CA 0.108 53.137 53.050 -0.036 0.000 0.699 655 N CB -0.752 37.717 38.487 -0.031 0.000 0.919 655 N HN 0.414 nan 8.380 nan 0.000 0.548 656 P HA 0.282 nan 4.420 nan 0.000 0.276 656 P C -0.225 176.913 177.300 -0.270 0.000 1.244 656 P CA -0.111 62.900 63.100 -0.149 0.000 0.801 656 P CB 0.976 32.564 31.700 -0.187 0.000 1.006 657 T N -2.584 111.806 114.554 -0.274 0.000 2.930 657 T HA 0.480 4.830 4.350 -0.001 0.000 0.290 657 T C 0.287 174.774 174.700 -0.356 0.000 1.052 657 T CA -0.769 61.165 62.100 -0.276 0.000 1.017 657 T CB 0.572 69.355 68.868 -0.142 0.000 1.137 657 T HN 0.473 nan 8.240 nan 0.000 0.511 658 S N 0.685 116.237 115.700 -0.246 0.000 2.566 658 S HA 0.355 4.825 4.470 -0.001 0.000 0.280 658 S C -0.188 174.506 174.600 0.158 0.000 1.343 658 S CA -0.743 57.421 58.200 -0.060 0.000 1.036 658 S CB -0.392 62.799 63.200 -0.015 0.000 0.866 658 S HN 0.678 nan 8.310 nan 0.000 0.526 659 L N 2.803 124.234 121.223 0.346 0.000 2.490 659 L HA 0.386 4.725 4.340 -0.001 0.000 0.256 659 L C -2.356 174.627 176.870 0.189 0.000 1.089 659 L CA -1.655 53.362 54.840 0.296 0.000 0.916 659 L CB 1.694 44.024 42.059 0.451 0.000 1.188 659 L HN 0.593 nan 8.230 nan 0.000 0.476 660 P HA 0.213 nan 4.420 nan 0.000 0.278 660 P C -0.071 177.223 177.300 -0.009 0.000 1.238 660 P CA -0.229 62.908 63.100 0.061 0.000 0.794 660 P CB 1.788 33.514 31.700 0.044 0.000 0.955 661 L N 1.319 122.549 121.223 0.011 0.000 3.289 661 L HA 0.276 4.616 4.340 -0.001 0.000 0.291 661 L C 1.483 178.425 176.870 0.120 0.000 1.279 661 L CA -0.115 54.710 54.840 -0.026 0.000 1.025 661 L CB -0.060 41.958 42.059 -0.069 0.000 1.413 661 L HN 0.708 nan 8.230 nan 0.000 0.593 662 G N 1.232 110.084 108.800 0.086 0.000 2.629 662 G HA2 -0.420 3.540 3.960 -0.001 0.000 0.313 662 G HA3 -0.420 3.540 3.960 -0.001 0.000 0.313 662 G C 0.603 175.573 174.900 0.117 0.000 1.217 662 G CA 0.803 45.974 45.100 0.117 0.000 0.994 662 G HN 0.479 nan 8.290 nan 0.000 0.549 663 Q N -0.458 119.400 119.800 0.098 0.000 2.472 663 Q HA 0.176 4.515 4.340 -0.001 0.000 0.208 663 Q C 0.873 176.749 176.000 -0.207 0.000 0.958 663 Q CA 0.270 56.033 55.803 -0.068 0.000 0.932 663 Q CB 0.222 28.851 28.738 -0.182 0.000 1.007 663 Q HN 0.511 nan 8.270 nan 0.000 0.508 664 Y N 3.729 123.885 120.300 -0.240 0.000 2.881 664 Y HA -0.075 4.475 4.550 -0.001 0.000 0.335 664 Y C -1.428 174.356 175.900 -0.192 0.000 1.263 664 Y CA -1.359 56.583 58.100 -0.263 0.000 1.572 664 Y CB 0.788 39.246 38.460 -0.004 0.000 1.237 664 Y HN 0.056 nan 8.280 nan 0.000 0.568 665 P HA -0.054 nan 4.420 nan 0.000 0.233 665 P C -0.695 176.467 177.300 -0.230 0.000 1.167 665 P CA 1.068 63.913 63.100 -0.425 0.000 0.770 665 P CB 0.482 31.783 31.700 -0.665 0.000 0.837 666 E N 0.802 120.916 120.200 -0.143 0.000 2.187 666 E HA 0.217 4.566 4.350 -0.001 0.000 0.268 666 E C -0.556 176.195 176.600 0.250 0.000 0.896 666 E CA -0.598 55.858 56.400 0.094 0.000 0.766 666 E CB 1.337 31.134 29.700 0.161 0.000 1.142 666 E HN 0.017 nan 8.360 nan 0.000 0.408 667 D N 1.423 121.918 120.400 0.160 0.000 2.389 667 D HA 0.072 4.712 4.640 -0.001 0.000 0.247 667 D C 0.163 176.542 176.300 0.132 0.000 1.128 667 D CA -0.172 53.922 54.000 0.156 0.000 0.884 667 D CB 1.133 42.008 40.800 0.125 0.000 1.194 667 D HN 0.044 nan 8.370 nan 0.000 0.441 668 V N 3.092 123.071 119.914 0.109 0.000 2.617 668 V HA -0.084 4.036 4.120 -0.001 0.000 0.304 668 V C 0.761 176.722 176.094 -0.222 0.000 1.040 668 V CA 0.349 62.609 62.300 -0.066 0.000 1.149 668 V CB 0.310 32.069 31.823 -0.106 0.000 0.914 668 V HN 0.348 nan 8.190 nan 0.000 0.487 669 K N 3.692 123.905 120.400 -0.313 0.000 2.098 669 K HA 0.712 5.032 4.320 -0.001 0.000 0.258 669 K C -0.908 175.341 176.600 -0.585 0.000 0.973 669 K CA -0.156 55.981 56.287 -0.250 0.000 0.898 669 K CB 1.137 33.592 32.500 -0.076 0.000 1.057 669 K HN 0.418 nan 8.250 nan 0.000 0.447 670 F N -0.414 119.551 119.950 0.025 0.000 2.561 670 F HA 0.774 5.301 4.527 -0.001 0.000 0.321 670 F C 0.604 176.412 175.800 0.013 0.000 1.065 670 F CA -0.639 57.368 58.000 0.012 0.000 0.934 670 F CB 2.661 41.667 39.000 0.011 0.000 1.215 670 F HN 0.510 nan 8.300 nan 0.000 0.471 671 G N 0.440 109.345 108.800 0.175 0.000 2.646 671 G HA2 0.394 4.354 3.960 -0.001 0.000 0.291 671 G HA3 0.394 4.354 3.960 -0.001 0.000 0.291 671 G C -2.084 172.870 174.900 0.090 0.000 1.445 671 G CA -0.862 44.302 45.100 0.106 0.000 0.814 671 G HN 0.373 nan 8.290 nan 0.000 0.495 672 D N 0.883 121.323 120.400 0.068 0.000 2.382 672 D HA 0.331 4.970 4.640 -0.001 0.000 0.240 672 D C -1.957 174.374 176.300 0.052 0.000 1.146 672 D CA -0.467 53.567 54.000 0.056 0.000 0.897 672 D CB 0.857 41.683 40.800 0.045 0.000 1.197 672 D HN 0.010 nan 8.370 nan 0.000 0.432 673 P HA 0.059 nan 4.420 nan 0.000 0.264 673 P C -0.445 176.885 177.300 0.050 0.000 1.183 673 P CA 0.437 63.568 63.100 0.052 0.000 0.763 673 P CB 0.378 32.111 31.700 0.055 0.000 0.807 674 R N 0.454 120.986 120.500 0.053 0.000 2.664 674 R HA 0.397 4.736 4.340 -0.001 0.000 0.266 674 R C -1.157 175.184 176.300 0.069 0.000 1.046 674 R CA -0.993 55.139 56.100 0.053 0.000 0.885 674 R CB 1.094 31.421 30.300 0.046 0.000 1.254 674 R HN 0.221 nan 8.270 nan 0.000 0.465 675 E N 1.932 122.173 120.200 0.069 0.000 2.413 675 E HA 0.185 4.534 4.350 -0.001 0.000 0.263 675 E C 0.010 176.671 176.600 0.103 0.000 1.015 675 E CA 0.176 56.632 56.400 0.093 0.000 0.916 675 E CB 0.756 30.494 29.700 0.064 0.000 0.947 675 E HN 0.457 nan 8.360 nan 0.000 0.440 676 I N -1.762 118.905 120.570 0.161 0.000 3.042 676 I HA 0.615 4.784 4.170 -0.001 0.000 0.310 676 I C -0.648 175.621 176.117 0.254 0.000 1.117 676 I CA -0.790 60.608 61.300 0.164 0.000 1.003 676 I CB 2.426 40.493 38.000 0.112 0.000 1.228 676 I HN 0.239 nan 8.210 nan 0.000 0.443 677 S N 3.532 119.355 115.700 0.204 0.000 2.541 677 S HA 0.841 5.310 4.470 -0.001 0.000 0.280 677 S C -1.225 173.498 174.600 0.204 0.000 1.112 677 S CA -0.583 57.748 58.200 0.218 0.000 0.925 677 S CB 1.105 64.388 63.200 0.138 0.000 1.067 677 S HN 0.655 nan 8.310 nan 0.000 0.479 678 L N 3.460 124.828 121.223 0.241 0.000 2.409 678 L HA 0.693 5.033 4.340 -0.001 0.000 0.262 678 L C -0.436 176.527 176.870 0.155 0.000 0.992 678 L CA -0.774 54.182 54.840 0.194 0.000 0.817 678 L CB 2.439 44.634 42.059 0.227 0.000 1.350 678 L HN 0.635 nan 8.230 nan 0.000 0.411 679 R N 1.776 122.344 120.500 0.113 0.000 2.515 679 R HA 0.644 4.983 4.340 -0.001 0.000 0.291 679 R C -2.001 174.345 176.300 0.077 0.000 1.046 679 R CA -0.463 55.690 56.100 0.087 0.000 0.914 679 R CB 2.313 32.654 30.300 0.068 0.000 1.191 679 R HN 0.408 nan 8.270 nan 0.000 0.435 680 V N 4.583 124.541 119.914 0.073 0.000 2.435 680 V HA 0.571 4.690 4.120 -0.001 0.000 0.290 680 V C 1.085 177.210 176.094 0.052 0.000 1.030 680 V CA 0.605 62.943 62.300 0.064 0.000 0.881 680 V CB 1.110 32.973 31.823 0.068 0.000 0.983 680 V HN 1.112 nan 8.190 nan 0.000 0.445 681 G N 5.213 114.042 108.800 0.048 0.000 2.596 681 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.295 681 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.295 681 G C 0.573 175.493 174.900 0.034 0.000 1.240 681 G CA 0.651 45.775 45.100 0.040 0.000 0.985 681 G HN 0.673 nan 8.290 nan 0.000 0.555 682 N N 2.328 121.044 118.700 0.027 0.000 2.336 682 N HA 0.221 4.961 4.740 -0.001 0.000 0.189 682 N C 1.478 176.997 175.510 0.015 0.000 1.113 682 N CA 1.137 54.198 53.050 0.019 0.000 0.858 682 N CB -0.107 38.388 38.487 0.014 0.000 0.970 682 N HN 0.866 nan 8.380 nan 0.000 0.471 683 G N 1.869 110.682 108.800 0.022 0.000 2.527 683 G HA2 0.088 4.047 3.960 -0.001 0.000 0.279 683 G HA3 0.088 4.047 3.960 -0.001 0.000 0.279 683 G C -2.195 172.713 174.900 0.013 0.000 1.374 683 G CA -0.499 44.613 45.100 0.019 0.000 1.053 683 G HN 0.060 nan 8.290 nan 0.000 0.539 684 P HA 0.195 nan 4.420 nan 0.000 0.272 684 P C -0.448 176.861 177.300 0.015 0.000 1.230 684 P CA 0.023 63.122 63.100 -0.002 0.000 0.788 684 P CB 0.732 32.428 31.700 -0.007 0.000 0.949 685 T N 2.264 116.819 114.554 0.001 0.000 2.771 685 T HA 0.481 4.830 4.350 -0.001 0.000 0.281 685 T C -0.070 174.640 174.700 0.017 0.000 0.982 685 T CA -0.373 61.745 62.100 0.031 0.000 0.978 685 T CB 0.121 69.007 68.868 0.029 0.000 0.930 685 T HN 0.172 nan 8.240 nan 0.000 0.447 686 L N 2.690 123.933 121.223 0.033 0.000 2.341 686 L HA 0.786 5.125 4.340 -0.001 0.000 0.278 686 L C 0.090 176.877 176.870 -0.139 0.000 1.005 686 L CA -1.174 53.599 54.840 -0.112 0.000 0.818 686 L CB 1.635 43.603 42.059 -0.152 0.000 1.259 686 L HN 0.644 nan 8.230 nan 0.000 0.418 687 A N 3.220 125.880 122.820 -0.266 0.000 2.337 687 A HA 0.872 5.192 4.320 -0.001 0.000 0.329 687 A C -1.239 176.134 177.584 -0.353 0.000 1.146 687 A CA -0.298 51.654 52.037 -0.141 0.000 0.800 687 A CB 0.834 19.814 19.000 -0.033 0.000 1.220 687 A HN 0.511 nan 8.150 nan 0.000 0.472 688 F N 0.873 120.871 119.950 0.080 0.000 2.551 688 F HA 0.513 5.039 4.527 -0.000 0.000 0.316 688 F C 1.063 176.913 175.800 0.084 0.000 1.089 688 F CA -0.307 57.756 58.000 0.105 0.000 0.915 688 F CB 2.233 41.298 39.000 0.108 0.000 1.186 688 F HN 0.677 nan 8.300 nan 0.000 0.456 689 S N 0.251 116.120 115.700 0.281 0.000 2.589 689 S HA 0.072 4.541 4.470 -0.001 0.000 0.265 689 S C 1.040 175.747 174.600 0.178 0.000 1.342 689 S CA -0.083 58.225 58.200 0.181 0.000 1.005 689 S CB 0.704 64.006 63.200 0.169 0.000 0.909 689 S HN 0.859 nan 8.310 nan 0.000 0.555 690 E N 0.048 120.319 120.200 0.118 0.000 2.401 690 E HA -0.210 4.140 4.350 -0.001 0.000 0.199 690 E C 1.230 177.891 176.600 0.102 0.000 1.023 690 E CA 1.017 57.475 56.400 0.098 0.000 0.859 690 E CB -0.395 29.347 29.700 0.070 0.000 0.780 690 E HN 0.772 nan 8.360 nan 0.000 0.523 691 Q N -0.003 119.872 119.800 0.127 0.000 2.280 691 Q HA 0.194 4.533 4.340 -0.001 0.000 0.202 691 Q C 0.812 176.901 176.000 0.147 0.000 0.903 691 Q CA 0.481 56.359 55.803 0.125 0.000 0.948 691 Q CB 0.891 29.707 28.738 0.130 0.000 1.058 691 Q HN 0.499 nan 8.270 nan 0.000 0.493 692 G N 0.397 109.302 108.800 0.175 0.000 2.143 692 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.248 692 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.248 692 G C -0.289 174.822 174.900 0.351 0.000 0.991 692 G CA -0.072 45.132 45.100 0.173 0.000 0.689 692 G HN 0.271 nan 8.290 nan 0.000 0.522 693 L N -0.251 121.228 121.223 0.427 0.000 2.325 693 L HA 0.676 5.015 4.340 -0.001 0.000 0.278 693 L C 0.834 178.027 176.870 0.539 0.000 1.023 693 L CA -1.373 53.771 54.840 0.506 0.000 0.811 693 L CB 1.577 43.830 42.059 0.324 0.000 1.249 693 L HN 0.139 nan 8.230 nan 0.000 0.431 694 L N 3.219 124.745 121.223 0.505 0.000 2.543 694 L HA -0.081 4.259 4.340 -0.001 0.000 0.285 694 L C 1.011 177.961 176.870 0.134 0.000 1.236 694 L CA 1.114 55.987 54.840 0.055 0.000 0.871 694 L CB 0.081 42.169 42.059 0.047 0.000 1.121 694 L HN 0.796 nan 8.230 nan 0.000 0.501 695 K N 1.305 121.682 120.400 -0.039 0.000 2.511 695 K HA 0.232 4.551 4.320 -0.001 0.000 0.206 695 K C -0.356 176.189 176.600 -0.090 0.000 1.333 695 K CA 0.507 56.793 56.287 -0.001 0.000 0.957 695 K CB 0.520 33.005 32.500 -0.026 0.000 1.172 695 K HN 0.755 nan 8.250 nan 0.000 0.547 696 S N -0.015 115.603 115.700 -0.136 0.000 2.547 696 S HA 0.526 4.996 4.470 -0.001 0.000 0.270 696 S C -0.959 173.573 174.600 -0.113 0.000 1.150 696 S CA -1.003 57.137 58.200 -0.100 0.000 0.850 696 S CB 1.329 64.518 63.200 -0.018 0.000 1.118 696 S HN 0.136 nan 8.310 nan 0.000 0.461 697 I N 1.593 122.110 120.570 -0.089 0.000 2.436 697 I HA 0.473 4.643 4.170 -0.001 0.000 0.289 697 I C -0.421 175.649 176.117 -0.079 0.000 1.010 697 I CA -0.405 60.844 61.300 -0.086 0.000 1.098 697 I CB 2.060 40.003 38.000 -0.095 0.000 1.266 697 I HN 0.731 nan 8.210 nan 0.000 0.434 698 Q N 5.986 125.730 119.800 -0.094 0.000 2.357 698 Q HA 0.412 4.752 4.340 -0.001 0.000 0.266 698 Q C 0.032 175.963 176.000 -0.115 0.000 1.021 698 Q CA -0.521 55.179 55.803 -0.173 0.000 0.784 698 Q CB 1.699 30.231 28.738 -0.344 0.000 1.243 698 Q HN 0.778 nan 8.270 nan 0.000 0.465 699 L N 1.967 123.130 121.223 -0.100 0.000 2.056 699 L HA -0.025 4.314 4.340 -0.001 0.000 0.207 699 L C 1.112 177.947 176.870 -0.059 0.000 1.078 699 L CA 1.328 56.127 54.840 -0.068 0.000 0.749 699 L CB -0.234 41.788 42.059 -0.062 0.000 0.901 699 L HN 0.684 nan 8.230 nan 0.000 0.433 700 T N -6.316 108.195 114.554 -0.072 0.000 2.865 700 T HA 0.295 4.645 4.350 -0.001 0.000 0.294 700 T C 0.325 174.985 174.700 -0.066 0.000 1.119 700 T CA -0.798 61.269 62.100 -0.055 0.000 1.007 700 T CB 1.896 70.738 68.868 -0.043 0.000 1.225 700 T HN -0.156 nan 8.240 nan 0.000 0.515 701 Q N 1.016 120.792 119.800 -0.041 0.000 2.182 701 Q HA -0.212 4.128 4.340 -0.001 0.000 0.213 701 Q C 1.825 177.797 176.000 -0.047 0.000 1.000 701 Q CA 2.819 58.603 55.803 -0.032 0.000 0.889 701 Q CB -0.367 28.363 28.738 -0.013 0.000 0.932 701 Q HN 0.875 nan 8.270 nan 0.000 0.415 702 D N -0.945 119.426 120.400 -0.049 0.000 2.277 702 D HA -0.011 4.629 4.640 -0.001 0.000 0.209 702 D C 0.692 176.952 176.300 -0.067 0.000 0.970 702 D CA 0.670 54.644 54.000 -0.043 0.000 0.874 702 D CB -0.341 40.443 40.800 -0.028 0.000 0.982 702 D HN 0.218 nan 8.370 nan 0.000 0.504 703 S N 1.121 116.765 115.700 -0.093 0.000 2.608 703 S HA 0.319 4.789 4.470 -0.001 0.000 0.261 703 S C -2.538 171.976 174.600 -0.143 0.000 1.314 703 S CA -1.069 57.073 58.200 -0.097 0.000 0.992 703 S CB 0.410 63.556 63.200 -0.090 0.000 0.935 703 S HN -0.134 nan 8.310 nan 0.000 0.564 704 P HA 0.099 nan 4.420 nan 0.000 0.266 704 P C -0.458 176.753 177.300 -0.149 0.000 1.195 704 P CA 0.055 63.112 63.100 -0.072 0.000 0.768 704 P CB 0.067 31.754 31.700 -0.021 0.000 0.838 705 H N 1.531 120.584 119.070 -0.028 0.000 3.291 705 H HA 0.073 4.629 4.556 -0.001 0.000 0.256 705 H C -0.008 175.286 175.328 -0.058 0.000 1.315 705 H CA -0.113 55.908 56.048 -0.044 0.000 1.521 705 H CB -0.372 29.367 29.762 -0.039 0.000 1.621 705 H HN 0.130 nan 8.280 nan 0.000 0.498 706 V N 6.854 126.762 119.914 -0.010 0.000 2.446 706 V HA 0.031 4.151 4.120 -0.001 0.000 0.276 706 V C -1.825 174.216 176.094 -0.089 0.000 1.030 706 V CA -1.443 60.829 62.300 -0.047 0.000 1.033 706 V CB 0.537 32.321 31.823 -0.065 0.000 0.993 706 V HN 0.511 nan 8.190 nan 0.000 0.477 707 P HA 0.136 nan 4.420 nan 0.000 0.260 707 P C -0.744 176.406 177.300 -0.250 0.000 1.207 707 P CA 0.341 63.294 63.100 -0.246 0.000 0.780 707 P CB 0.351 31.747 31.700 -0.506 0.000 0.789 708 V N 4.396 124.196 119.914 -0.189 0.000 2.509 708 V HA 0.233 4.353 4.120 -0.001 0.000 0.289 708 V C -0.730 175.265 176.094 -0.165 0.000 1.026 708 V CA -0.447 61.728 62.300 -0.208 0.000 0.872 708 V CB 1.199 32.885 31.823 -0.228 0.000 1.017 708 V HN 0.519 nan 8.190 nan 0.000 0.436 709 H N 4.474 123.385 119.070 -0.265 0.000 2.539 709 H HA 0.668 5.224 4.556 -0.001 0.000 0.332 709 H C -1.180 174.025 175.328 -0.206 0.000 1.031 709 H CA -0.920 55.018 56.048 -0.183 0.000 1.206 709 H CB 1.113 30.810 29.762 -0.108 0.000 1.446 709 H HN 0.394 nan 8.280 nan 0.000 0.496 710 F N 3.895 123.551 119.950 -0.491 0.000 2.412 710 F HA 0.338 4.864 4.527 -0.001 0.000 0.348 710 F C 0.492 175.781 175.800 -0.852 0.000 1.102 710 F CA 0.078 57.741 58.000 -0.562 0.000 1.196 710 F CB 0.826 39.604 39.000 -0.369 0.000 1.144 710 F HN 0.452 nan 8.300 nan 0.000 0.541 711 K N 3.429 123.564 120.400 -0.441 0.000 2.501 711 K HA 0.488 4.808 4.320 -0.001 0.000 0.252 711 K C -1.935 174.404 176.600 -0.435 0.000 0.934 711 K CA -0.575 55.498 56.287 -0.357 0.000 0.797 711 K CB 1.252 33.625 32.500 -0.212 0.000 1.270 711 K HN 0.389 nan 8.250 nan 0.000 0.431 712 F N 4.215 124.090 119.950 -0.126 0.000 2.436 712 F HA 0.468 4.995 4.527 -0.000 0.000 0.340 712 F C -0.355 175.401 175.800 -0.073 0.000 1.113 712 F CA -0.574 57.364 58.000 -0.103 0.000 1.022 712 F CB 1.104 40.027 39.000 -0.128 0.000 1.128 712 F HN 0.246 nan 8.300 nan 0.000 0.466 713 L N 2.888 124.154 121.223 0.072 0.000 2.277 713 L HA 0.643 4.983 4.340 -0.001 0.000 0.254 713 L C -1.088 175.772 176.870 -0.017 0.000 1.044 713 L CA -1.019 53.813 54.840 -0.014 0.000 0.842 713 L CB 2.240 44.230 42.059 -0.115 0.000 1.422 713 L HN 0.491 nan 8.230 nan 0.000 0.422 714 K N -0.494 119.858 120.400 -0.081 0.000 2.422 714 K HA 0.659 4.979 4.320 -0.001 0.000 0.251 714 K C -1.797 174.732 176.600 -0.118 0.000 0.933 714 K CA -0.808 55.460 56.287 -0.031 0.000 0.798 714 K CB 1.725 34.243 32.500 0.031 0.000 1.238 714 K HN 0.234 nan 8.250 nan 0.000 0.428 715 Y N 0.653 121.015 120.300 0.104 0.000 2.387 715 Y HA 0.487 5.036 4.550 -0.001 0.000 0.330 715 Y C 1.015 176.972 175.900 0.096 0.000 1.133 715 Y CA 0.101 58.275 58.100 0.123 0.000 1.152 715 Y CB 2.105 40.711 38.460 0.243 0.000 1.215 715 Y HN 0.924 nan 8.280 nan 0.000 0.466 716 G N 0.792 109.729 108.800 0.228 0.000 2.671 716 G HA2 0.612 4.572 3.960 -0.001 0.000 0.275 716 G HA3 0.612 4.572 3.960 -0.001 0.000 0.275 716 G C -1.354 173.616 174.900 0.116 0.000 1.368 716 G CA -0.696 44.487 45.100 0.138 0.000 1.044 716 G HN 0.438 nan 8.290 nan 0.000 0.543 717 V N -0.269 119.681 119.914 0.060 0.000 2.823 717 V HA 0.453 4.572 4.120 -0.001 0.000 0.312 717 V C -0.037 176.046 176.094 -0.017 0.000 1.072 717 V CA -0.881 61.432 62.300 0.022 0.000 0.937 717 V CB 1.966 33.808 31.823 0.031 0.000 1.013 717 V HN 0.697 nan 8.190 nan 0.000 0.430 718 R N 1.338 121.799 120.500 -0.065 0.000 2.590 718 R HA 0.181 4.521 4.340 -0.001 0.000 0.274 718 R C 1.268 177.510 176.300 -0.098 0.000 1.061 718 R CA 0.473 56.496 56.100 -0.127 0.000 1.081 718 R CB 0.563 30.734 30.300 -0.214 0.000 0.984 718 R HN 0.925 nan 8.270 nan 0.000 0.448 719 S N 1.243 116.891 115.700 -0.086 0.000 2.496 719 S HA -0.050 4.419 4.470 -0.001 0.000 0.224 719 S C 0.296 174.943 174.600 0.079 0.000 0.996 719 S CA 0.177 58.389 58.200 0.020 0.000 0.927 719 S CB -0.338 62.911 63.200 0.082 0.000 0.774 719 S HN 0.838 nan 8.310 nan 0.000 0.524 720 H N -2.332 116.738 119.070 0.001 0.000 2.946 720 H HA 0.760 5.315 4.556 -0.001 0.000 0.365 720 H C 0.411 175.736 175.328 -0.005 0.000 1.197 720 H CA -0.550 55.497 56.048 -0.002 0.000 1.131 720 H CB 0.949 30.710 29.762 -0.002 0.000 1.849 720 H HN 0.408 nan 8.280 nan 0.000 0.555 721 G N 0.507 109.335 108.800 0.047 0.000 2.681 721 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.220 721 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.220 721 G C -1.208 173.666 174.900 -0.043 0.000 1.353 721 G CA -0.280 44.810 45.100 -0.016 0.000 0.872 721 G HN 0.891 nan 8.290 nan 0.000 0.557 722 D N 0.880 121.251 120.400 -0.049 0.000 2.389 722 D HA 0.505 5.144 4.640 -0.001 0.000 0.247 722 D C 0.993 177.259 176.300 -0.056 0.000 1.128 722 D CA 0.309 54.282 54.000 -0.046 0.000 0.884 722 D CB 0.806 41.579 40.800 -0.045 0.000 1.194 722 D HN 0.471 nan 8.370 nan 0.000 0.441 723 R N 0.540 121.016 120.500 -0.040 0.000 2.428 723 R HA 0.338 4.678 4.340 -0.001 0.000 0.294 723 R C -0.008 176.279 176.300 -0.022 0.000 1.000 723 R CA -0.484 55.598 56.100 -0.029 0.000 0.960 723 R CB 1.026 31.320 30.300 -0.010 0.000 1.076 723 R HN 0.236 nan 8.270 nan 0.000 0.475 724 S N 0.431 116.127 115.700 -0.007 0.000 2.568 724 S HA 0.468 4.938 4.470 -0.001 0.000 0.282 724 S C 0.399 175.017 174.600 0.029 0.000 1.338 724 S CA 0.254 58.467 58.200 0.022 0.000 1.045 724 S CB 1.027 64.272 63.200 0.077 0.000 0.873 724 S HN 0.743 nan 8.310 nan 0.000 0.516 725 G N 0.025 108.844 108.800 0.032 0.000 2.947 725 G HA2 0.596 4.556 3.960 -0.001 0.000 0.293 725 G HA3 0.596 4.556 3.960 -0.001 0.000 0.293 725 G C 0.610 175.532 174.900 0.036 0.000 1.243 725 G CA -0.132 44.994 45.100 0.045 0.000 0.802 725 G HN 0.704 nan 8.290 nan 0.000 0.560 726 A N -1.268 121.560 122.820 0.014 0.000 1.978 726 A HA 0.061 4.381 4.320 -0.001 0.000 0.220 726 A C 1.937 179.427 177.584 -0.157 0.000 1.170 726 A CA 1.994 53.979 52.037 -0.086 0.000 0.636 726 A CB -0.637 18.256 19.000 -0.178 0.000 0.810 726 A HN 0.585 nan 8.150 nan 0.000 0.448 727 Y N -0.795 119.441 120.300 -0.107 0.000 2.266 727 Y HA 0.334 4.883 4.550 -0.001 0.000 0.294 727 Y C 0.880 176.663 175.900 -0.195 0.000 1.127 727 Y CA 0.065 58.020 58.100 -0.242 0.000 1.140 727 Y CB -0.149 37.801 38.460 -0.850 0.000 1.071 727 Y HN 0.012 nan 8.280 nan 0.000 0.525 728 L N 0.788 121.969 121.223 -0.071 0.000 2.292 728 L HA 0.186 4.526 4.340 -0.001 0.000 0.284 728 L C -1.096 175.820 176.870 0.076 0.000 1.065 728 L CA -0.535 54.263 54.840 -0.071 0.000 0.806 728 L CB 0.823 42.788 42.059 -0.157 0.000 1.175 728 L HN 0.050 nan 8.230 nan 0.000 0.431 729 F N 5.307 125.198 119.950 -0.099 0.000 2.334 729 F HA 0.449 4.975 4.527 -0.001 0.000 0.367 729 F C -0.614 175.104 175.800 -0.137 0.000 1.115 729 F CA -0.975 56.926 58.000 -0.165 0.000 1.116 729 F CB 0.534 39.364 39.000 -0.284 0.000 1.230 729 F HN 0.230 nan 8.300 nan 0.000 0.484 730 L N 9.205 130.288 121.223 -0.233 0.000 2.581 730 L HA 0.344 4.684 4.340 -0.001 0.000 0.241 730 L C -2.284 174.367 176.870 -0.365 0.000 1.265 730 L CA -1.812 52.840 54.840 -0.313 0.000 0.954 730 L CB 0.799 42.775 42.059 -0.138 0.000 1.269 730 L HN 0.407 nan 8.230 nan 0.000 0.475 731 P HA 0.025 nan 4.420 nan 0.000 0.272 731 P C -0.462 176.740 177.300 -0.163 0.000 1.223 731 P CA -0.271 62.602 63.100 -0.378 0.000 0.784 731 P CB 0.554 31.911 31.700 -0.572 0.000 0.923 732 N N 1.244 119.922 118.700 -0.036 0.000 3.259 732 N HA 0.286 5.026 4.740 -0.001 0.000 0.308 732 N C 0.676 176.193 175.510 0.013 0.000 1.334 732 N CA -0.170 52.863 53.050 -0.028 0.000 1.202 732 N CB -0.844 37.635 38.487 -0.014 0.000 1.485 732 N HN 0.743 nan 8.380 nan 0.000 0.549 733 G N 0.486 109.292 108.800 0.010 0.000 2.592 733 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.684 733 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.684 733 G C -3.053 171.920 174.900 0.122 0.000 1.291 733 G CA -1.146 43.978 45.100 0.039 0.000 0.891 733 G HN 0.345 nan 8.290 nan 0.000 0.544 734 P HA 0.443 nan 4.420 nan 0.000 0.269 734 P C 0.526 177.796 177.300 -0.050 0.000 1.217 734 P CA 0.703 63.869 63.100 0.109 0.000 0.783 734 P CB 0.413 32.141 31.700 0.047 0.000 0.898 735 A N 2.116 124.719 122.820 -0.361 0.000 2.445 735 A HA 0.371 4.691 4.320 -0.001 0.000 0.242 735 A C 0.196 177.628 177.584 -0.252 0.000 1.075 735 A CA 0.302 51.957 52.037 -0.636 0.000 0.777 735 A CB -0.246 18.107 19.000 -1.078 0.000 1.013 735 A HN 0.486 nan 8.150 nan 0.000 0.493 736 S N 2.353 117.947 115.700 -0.177 0.000 2.549 736 S HA 0.595 5.065 4.470 -0.001 0.000 0.297 736 S C -2.715 171.847 174.600 -0.063 0.000 1.115 736 S CA -1.104 57.047 58.200 -0.083 0.000 1.059 736 S CB 1.217 64.392 63.200 -0.043 0.000 1.046 736 S HN 0.579 nan 8.310 nan 0.000 0.506 737 P HA 0.109 nan 4.420 nan 0.000 0.268 737 P C -0.672 176.635 177.300 0.012 0.000 1.204 737 P CA -0.303 62.796 63.100 -0.001 0.000 0.768 737 P CB 0.245 31.954 31.700 0.016 0.000 0.842 738 V N 4.071 124.005 119.914 0.033 0.000 2.585 738 V HA -0.050 4.070 4.120 -0.001 0.000 0.296 738 V C 1.050 177.160 176.094 0.027 0.000 1.035 738 V CA 0.364 62.682 62.300 0.031 0.000 1.084 738 V CB -0.338 31.510 31.823 0.042 0.000 0.953 738 V HN 0.521 nan 8.190 nan 0.000 0.483 739 E N 4.564 124.773 120.200 0.016 0.000 2.166 739 E HA 0.138 4.488 4.350 -0.001 0.000 0.279 739 E C 0.497 177.104 176.600 0.012 0.000 1.095 739 E CA -0.165 56.245 56.400 0.017 0.000 0.888 739 E CB 0.777 30.485 29.700 0.013 0.000 1.041 739 E HN 0.563 nan 8.360 nan 0.000 0.414 740 L N 2.773 124.009 121.223 0.022 0.000 2.375 740 L HA 0.098 4.438 4.340 -0.001 0.000 0.215 740 L C 1.408 178.290 176.870 0.020 0.000 1.108 740 L CA 0.458 55.308 54.840 0.016 0.000 0.830 740 L CB -0.570 41.511 42.059 0.036 0.000 0.959 740 L HN 0.850 nan 8.230 nan 0.000 0.457 741 G N 0.776 109.592 108.800 0.026 0.000 2.574 741 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.286 741 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.286 741 G C -0.142 174.781 174.900 0.039 0.000 1.212 741 G CA 0.006 45.124 45.100 0.031 0.000 0.979 741 G HN 0.372 nan 8.290 nan 0.000 0.557 742 Q N 1.931 121.757 119.800 0.043 0.000 2.721 742 Q HA 0.480 4.820 4.340 -0.001 0.000 0.257 742 Q C -2.062 173.975 176.000 0.062 0.000 1.070 742 Q CA -1.144 54.690 55.803 0.050 0.000 0.910 742 Q CB 1.425 30.190 28.738 0.046 0.000 1.163 742 Q HN 0.685 nan 8.270 nan 0.000 0.501 743 P HA 0.098 nan 4.420 nan 0.000 0.274 743 P C -0.456 176.910 177.300 0.111 0.000 1.231 743 P CA -0.381 62.767 63.100 0.081 0.000 0.790 743 P CB 1.056 32.785 31.700 0.049 0.000 0.951 744 V N 2.315 122.333 119.914 0.173 0.000 2.488 744 V HA 0.110 4.230 4.120 -0.001 0.000 0.277 744 V C 0.517 176.758 176.094 0.245 0.000 1.046 744 V CA -0.238 62.185 62.300 0.204 0.000 0.986 744 V CB 1.206 33.182 31.823 0.256 0.000 0.989 744 V HN 0.262 nan 8.190 nan 0.000 0.475 745 V N 6.471 126.474 119.914 0.147 0.000 2.448 745 V HA 0.429 4.549 4.120 -0.001 0.000 0.295 745 V C -0.357 175.758 176.094 0.035 0.000 1.025 745 V CA -0.607 61.756 62.300 0.105 0.000 0.859 745 V CB 1.617 33.463 31.823 0.038 0.000 0.988 745 V HN 0.663 nan 8.190 nan 0.000 0.431 746 L N 6.968 128.217 121.223 0.043 0.000 2.287 746 L HA 0.691 5.030 4.340 -0.001 0.000 0.287 746 L C -0.494 176.265 176.870 -0.184 0.000 1.022 746 L CA 0.093 54.830 54.840 -0.172 0.000 0.814 746 L CB 1.645 43.504 42.059 -0.332 0.000 1.217 746 L HN 0.442 nan 8.230 nan 0.000 0.420 747 V N 4.216 124.007 119.914 -0.205 0.000 2.384 747 V HA 0.547 4.666 4.120 -0.001 0.000 0.287 747 V C 0.041 176.057 176.094 -0.129 0.000 1.020 747 V CA -0.419 61.782 62.300 -0.165 0.000 0.850 747 V CB 1.581 33.324 31.823 -0.132 0.000 0.987 747 V HN 0.841 nan 8.190 nan 0.000 0.436 748 T N 5.389 119.896 114.554 -0.078 0.000 2.792 748 T HA 0.435 4.785 4.350 -0.001 0.000 0.280 748 T C -0.433 174.290 174.700 0.039 0.000 0.990 748 T CA -0.573 61.534 62.100 0.011 0.000 0.960 748 T CB 1.162 70.070 68.868 0.067 0.000 0.939 748 T HN 0.628 nan 8.240 nan 0.000 0.439 749 K N 2.318 122.760 120.400 0.069 0.000 2.413 749 K HA 0.678 4.997 4.320 -0.001 0.000 0.257 749 K C -0.462 176.199 176.600 0.102 0.000 0.946 749 K CA -0.579 55.753 56.287 0.075 0.000 0.823 749 K CB 1.112 33.649 32.500 0.062 0.000 1.109 749 K HN 0.808 nan 8.250 nan 0.000 0.427 750 G N 2.178 111.035 108.800 0.095 0.000 2.642 750 G HA2 0.171 4.131 3.960 -0.001 0.000 0.293 750 G HA3 0.171 4.131 3.960 -0.001 0.000 0.293 750 G C -0.151 174.796 174.900 0.079 0.000 1.341 750 G CA -0.587 44.571 45.100 0.097 0.000 0.916 750 G HN 0.654 nan 8.290 nan 0.000 0.474 751 K N -0.039 120.403 120.400 0.071 0.000 2.097 751 K HA 0.081 4.401 4.320 -0.001 0.000 0.206 751 K C 1.704 178.342 176.600 0.062 0.000 1.049 751 K CA 1.088 57.412 56.287 0.063 0.000 0.933 751 K CB -0.126 32.408 32.500 0.057 0.000 0.717 751 K HN 0.453 nan 8.250 nan 0.000 0.442 752 L N -0.813 120.449 121.223 0.064 0.000 2.357 752 L HA 0.195 4.534 4.340 -0.001 0.000 0.211 752 L C 0.551 177.457 176.870 0.060 0.000 1.075 752 L CA 0.123 55.000 54.840 0.062 0.000 0.830 752 L CB 0.376 42.475 42.059 0.066 0.000 0.996 752 L HN 0.140 nan 8.230 nan 0.000 0.467 753 E N -0.161 120.080 120.200 0.067 0.000 2.311 753 E HA 0.370 4.720 4.350 -0.001 0.000 0.281 753 E C -1.474 175.172 176.600 0.076 0.000 0.905 753 E CA -0.185 56.256 56.400 0.067 0.000 0.778 753 E CB 2.026 31.765 29.700 0.064 0.000 1.240 753 E HN -0.108 nan 8.360 nan 0.000 0.410 754 S N 1.349 117.092 115.700 0.072 0.000 2.600 754 S HA 0.789 5.258 4.470 -0.001 0.000 0.300 754 S C -1.151 173.478 174.600 0.048 0.000 1.087 754 S CA -0.701 57.538 58.200 0.065 0.000 0.965 754 S CB 1.780 65.020 63.200 0.068 0.000 1.089 754 S HN 0.614 nan 8.310 nan 0.000 0.496 755 S N -0.194 115.512 115.700 0.010 0.000 2.570 755 S HA 0.750 5.220 4.470 -0.001 0.000 0.270 755 S C -1.668 172.845 174.600 -0.144 0.000 1.149 755 S CA -0.746 57.434 58.200 -0.034 0.000 0.837 755 S CB 1.087 64.285 63.200 -0.004 0.000 1.124 755 S HN 0.451 nan 8.310 nan 0.000 0.465 756 V N 1.983 121.747 119.914 -0.251 0.000 2.444 756 V HA 0.705 4.825 4.120 -0.001 0.000 0.294 756 V C -0.486 175.469 176.094 -0.232 0.000 1.022 756 V CA -0.417 61.661 62.300 -0.371 0.000 0.850 756 V CB 1.500 32.780 31.823 -0.905 0.000 0.992 756 V HN 0.989 nan 8.190 nan 0.000 0.426 757 S N 3.391 119.010 115.700 -0.134 0.000 2.513 757 S HA 0.792 5.262 4.470 -0.001 0.000 0.299 757 S C -0.738 173.792 174.600 -0.116 0.000 1.087 757 S CA -0.658 57.467 58.200 -0.124 0.000 1.012 757 S CB 2.190 65.400 63.200 0.018 0.000 1.044 757 S HN 0.643 nan 8.310 nan 0.000 0.485 758 V N 1.876 121.604 119.914 -0.311 0.000 2.760 758 V HA 0.799 4.919 4.120 -0.001 0.000 0.309 758 V C -0.038 175.708 176.094 -0.581 0.000 1.077 758 V CA -0.447 61.687 62.300 -0.276 0.000 0.910 758 V CB 1.824 33.616 31.823 -0.053 0.000 1.008 758 V HN 1.011 nan 8.190 nan 0.000 0.424 759 G N 7.010 115.527 108.800 -0.471 0.000 2.663 759 G HA2 0.526 4.485 3.960 -0.001 0.000 0.320 759 G HA3 0.526 4.485 3.960 -0.001 0.000 0.320 759 G C -0.535 174.267 174.900 -0.164 0.000 0.937 759 G CA -0.319 44.563 45.100 -0.364 0.000 1.332 759 G HN 0.686 nan 8.290 nan 0.000 0.461 760 L N 2.553 123.625 121.223 -0.252 0.000 2.387 760 L HA 0.415 4.755 4.340 -0.001 0.000 0.266 760 L C -2.058 174.689 176.870 -0.206 0.000 1.059 760 L CA -2.384 52.325 54.840 -0.218 0.000 0.801 760 L CB 1.859 43.713 42.059 -0.341 0.000 1.223 760 L HN 0.193 nan 8.230 nan 0.000 0.456 761 P HA 0.113 nan 4.420 nan 0.000 0.271 761 P C 0.069 177.260 177.300 -0.180 0.000 1.226 761 P CA 0.349 63.358 63.100 -0.152 0.000 0.765 761 P CB 1.149 32.786 31.700 -0.105 0.000 0.835 762 S N -0.115 115.484 115.700 -0.169 0.000 2.524 762 S HA -0.107 4.363 4.470 -0.001 0.000 0.254 762 S C 0.201 174.684 174.600 -0.195 0.000 1.258 762 S CA 1.303 59.414 58.200 -0.149 0.000 1.448 762 S CB -1.326 61.811 63.200 -0.105 0.000 1.806 762 S HN 0.394 nan 8.310 nan 0.000 0.630 763 V N 1.524 121.264 119.914 -0.291 0.000 2.668 763 V HA 0.493 4.613 4.120 -0.001 0.000 0.304 763 V C -0.286 175.574 176.094 -0.390 0.000 1.071 763 V CA -0.791 61.290 62.300 -0.364 0.000 0.894 763 V CB 2.108 33.547 31.823 -0.640 0.000 1.008 763 V HN 0.114 nan 8.190 nan 0.000 0.425 764 V N 3.933 123.631 119.914 -0.361 0.000 2.348 764 V HA 0.323 4.442 4.120 -0.001 0.000 0.270 764 V C -0.169 175.704 176.094 -0.367 0.000 1.037 764 V CA -0.393 61.595 62.300 -0.520 0.000 0.872 764 V CB 0.672 32.072 31.823 -0.704 0.000 1.002 764 V HN 0.935 nan 8.190 nan 0.000 0.464 765 H N 4.677 123.482 119.070 -0.443 0.000 2.488 765 H HA 0.608 5.164 4.556 -0.001 0.000 0.322 765 H C -0.396 174.805 175.328 -0.212 0.000 1.078 765 H CA -0.290 55.601 56.048 -0.262 0.000 1.260 765 H CB 1.063 30.703 29.762 -0.203 0.000 1.425 765 H HN 0.687 nan 8.280 nan 0.000 0.471 766 Q N 3.448 122.939 119.800 -0.516 0.000 2.321 766 Q HA 0.375 4.715 4.340 -0.001 0.000 0.270 766 Q C -1.038 174.756 176.000 -0.342 0.000 1.032 766 Q CA -0.913 54.681 55.803 -0.349 0.000 0.784 766 Q CB 2.388 31.020 28.738 -0.177 0.000 1.264 766 Q HN 0.612 nan 8.270 nan 0.000 0.448 767 T N 3.344 117.778 114.554 -0.199 0.000 2.788 767 T HA 0.559 4.909 4.350 -0.001 0.000 0.296 767 T C -0.312 174.419 174.700 0.053 0.000 1.009 767 T CA -0.385 61.720 62.100 0.008 0.000 0.949 767 T CB 0.207 69.256 68.868 0.301 0.000 0.946 767 T HN 0.374 nan 8.240 nan 0.000 0.453 768 I N 3.750 124.361 120.570 0.068 0.000 2.441 768 I HA 0.511 4.681 4.170 -0.001 0.000 0.295 768 I C -0.194 175.978 176.117 0.092 0.000 0.994 768 I CA -0.798 60.541 61.300 0.064 0.000 1.144 768 I CB 1.743 39.769 38.000 0.043 0.000 1.314 768 I HN 0.376 nan 8.210 nan 0.000 0.445 769 M N 5.775 125.429 119.600 0.091 0.000 2.253 769 M HA 0.481 4.960 4.480 -0.001 0.000 0.314 769 M C 0.173 176.515 176.300 0.071 0.000 1.019 769 M CA -0.320 55.036 55.300 0.094 0.000 0.932 769 M CB 2.276 34.948 32.600 0.120 0.000 1.606 769 M HN 0.487 nan 8.290 nan 0.000 0.430 770 R N 1.094 121.630 120.500 0.060 0.000 2.549 770 R HA 0.344 4.684 4.340 -0.001 0.000 0.344 770 R C 0.774 177.102 176.300 0.046 0.000 0.979 770 R CA 0.278 56.407 56.100 0.049 0.000 1.140 770 R CB 1.177 31.498 30.300 0.036 0.000 1.377 770 R HN 1.141 nan 8.270 nan 0.000 0.541 771 G N -0.088 108.741 108.800 0.049 0.000 2.184 771 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.206 771 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.206 771 G C 0.258 175.178 174.900 0.034 0.000 0.995 771 G CA -0.307 44.818 45.100 0.042 0.000 0.651 771 G HN 0.536 nan 8.290 nan 0.000 0.511 772 G N -0.263 108.558 108.800 0.035 0.000 3.252 772 G HA2 0.800 4.760 3.960 -0.001 0.000 0.181 772 G HA3 0.800 4.760 3.960 -0.001 0.000 0.181 772 G C 0.453 175.372 174.900 0.032 0.000 1.187 772 G CA 0.412 45.528 45.100 0.027 0.000 0.886 772 G HN 1.574 nan 8.290 nan 0.000 0.615 773 A N 1.516 124.353 122.820 0.028 0.000 2.567 773 A HA 0.494 4.814 4.320 -0.001 0.000 0.240 773 A C -1.773 175.847 177.584 0.060 0.000 1.053 773 A CA -0.398 51.661 52.037 0.037 0.000 0.755 773 A CB -0.541 18.478 19.000 0.032 0.000 0.978 773 A HN 0.369 nan 8.150 nan 0.000 0.507 774 P HA 0.094 nan 4.420 nan 0.000 0.269 774 P C -0.355 177.015 177.300 0.117 0.000 1.215 774 P CA -0.110 63.054 63.100 0.108 0.000 0.780 774 P CB 0.575 32.361 31.700 0.144 0.000 0.898 775 E N 1.601 121.866 120.200 0.108 0.000 2.216 775 E HA 0.355 4.705 4.350 -0.001 0.000 0.279 775 E C -0.754 175.918 176.600 0.120 0.000 0.997 775 E CA -0.691 55.776 56.400 0.111 0.000 0.817 775 E CB 0.498 30.240 29.700 0.070 0.000 1.096 775 E HN 0.200 nan 8.360 nan 0.000 0.393 776 I N 4.261 124.933 120.570 0.172 0.000 2.404 776 I HA 0.403 4.572 4.170 -0.001 0.000 0.293 776 I C -0.013 176.213 176.117 0.182 0.000 0.992 776 I CA -0.612 60.764 61.300 0.126 0.000 1.149 776 I CB 1.214 39.295 38.000 0.136 0.000 1.315 776 I HN 0.571 nan 8.210 nan 0.000 0.446 777 R N 4.783 125.315 120.500 0.053 0.000 2.561 777 R HA 0.519 4.858 4.340 -0.001 0.000 0.297 777 R C -0.954 175.379 176.300 0.054 0.000 0.969 777 R CA -0.866 55.282 56.100 0.080 0.000 0.879 777 R CB 2.034 32.342 30.300 0.013 0.000 1.178 777 R HN 0.449 nan 8.270 nan 0.000 0.445 778 N N 2.668 121.463 118.700 0.159 0.000 2.443 778 N HA 0.167 4.907 4.740 -0.001 0.000 0.269 778 N C -1.190 174.321 175.510 0.001 0.000 0.985 778 N CA -0.706 52.411 53.050 0.112 0.000 0.921 778 N CB 1.855 40.512 38.487 0.284 0.000 1.195 778 N HN 0.355 nan 8.380 nan 0.000 0.492 779 L N 3.738 124.906 121.223 -0.091 0.000 2.385 779 L HA 0.299 4.639 4.340 -0.001 0.000 0.285 779 L C -0.930 175.861 176.870 -0.132 0.000 1.125 779 L CA -0.322 54.446 54.840 -0.120 0.000 0.890 779 L CB 0.174 42.154 42.059 -0.132 0.000 1.251 779 L HN 0.208 nan 8.230 nan 0.000 0.445 780 V N 4.544 124.380 119.914 -0.130 0.000 2.364 780 V HA 0.341 4.461 4.120 -0.001 0.000 0.272 780 V C -0.336 175.710 176.094 -0.080 0.000 1.036 780 V CA -0.468 61.770 62.300 -0.103 0.000 0.880 780 V CB 1.199 32.979 31.823 -0.072 0.000 0.991 780 V HN 0.682 nan 8.190 nan 0.000 0.460 781 D N 4.030 124.387 120.400 -0.071 0.000 2.375 781 D HA 0.256 4.896 4.640 -0.001 0.000 0.259 781 D C 0.554 176.832 176.300 -0.037 0.000 1.235 781 D CA -0.416 53.556 54.000 -0.046 0.000 0.924 781 D CB 1.228 42.000 40.800 -0.046 0.000 1.143 781 D HN 0.463 nan 8.370 nan 0.000 0.529 782 I N 2.361 122.925 120.570 -0.010 0.000 3.241 782 I HA 0.048 4.217 4.170 -0.001 0.000 0.280 782 I C 1.397 177.514 176.117 0.001 0.000 1.320 782 I CA 1.055 62.357 61.300 0.003 0.000 1.413 782 I CB -0.340 37.681 38.000 0.034 0.000 1.060 782 I HN 0.621 nan 8.210 nan 0.000 0.500 783 G N 0.913 109.712 108.800 -0.003 0.000 2.634 783 G HA2 -0.445 3.514 3.960 -0.001 0.000 0.309 783 G HA3 -0.445 3.514 3.960 -0.001 0.000 0.309 783 G C 0.544 175.452 174.900 0.013 0.000 1.265 783 G CA 0.515 45.617 45.100 0.002 0.000 0.998 783 G HN 0.742 nan 8.290 nan 0.000 0.551 784 S N -0.292 115.416 115.700 0.014 0.000 2.588 784 S HA 0.573 5.043 4.470 -0.001 0.000 0.245 784 S C 0.568 175.181 174.600 0.021 0.000 1.021 784 S CA -0.051 58.161 58.200 0.021 0.000 1.006 784 S CB 0.069 63.283 63.200 0.023 0.000 0.830 784 S HN 0.698 nan 8.310 nan 0.000 0.468 785 L N 2.861 124.095 121.223 0.018 0.000 2.536 785 L HA 0.302 4.641 4.340 -0.001 0.000 0.282 785 L C -0.284 176.607 176.870 0.034 0.000 1.147 785 L CA -0.257 54.596 54.840 0.023 0.000 0.936 785 L CB -0.342 41.728 42.059 0.018 0.000 1.279 785 L HN 0.176 nan 8.230 nan 0.000 0.461 786 D N 3.218 123.639 120.400 0.034 0.000 2.372 786 D HA 0.053 4.692 4.640 -0.001 0.000 0.243 786 D C 0.606 176.934 176.300 0.046 0.000 1.121 786 D CA 0.117 54.140 54.000 0.040 0.000 0.898 786 D CB 0.486 41.306 40.800 0.034 0.000 1.202 786 D HN 0.334 nan 8.370 nan 0.000 0.428 787 N N 0.542 119.274 118.700 0.053 0.000 2.738 787 N HA -0.169 4.570 4.740 -0.001 0.000 0.249 787 N C -0.945 174.612 175.510 0.078 0.000 1.047 787 N CA 0.819 53.906 53.050 0.062 0.000 0.707 787 N CB -1.219 37.297 38.487 0.050 0.000 0.937 787 N HN 0.286 nan 8.380 nan 0.000 0.545 788 T N 0.527 115.132 114.554 0.085 0.000 2.886 788 T HA 0.405 4.754 4.350 -0.001 0.000 0.292 788 T C -0.194 174.579 174.700 0.122 0.000 1.012 788 T CA -0.690 61.472 62.100 0.102 0.000 0.982 788 T CB 2.251 71.164 68.868 0.075 0.000 1.018 788 T HN 0.018 nan 8.240 nan 0.000 0.451 789 E N 2.485 122.790 120.200 0.175 0.000 2.176 789 E HA 0.454 4.803 4.350 -0.001 0.000 0.267 789 E C -0.754 175.968 176.600 0.204 0.000 0.893 789 E CA -0.660 55.843 56.400 0.171 0.000 0.761 789 E CB 2.260 32.047 29.700 0.144 0.000 1.133 789 E HN 0.483 nan 8.360 nan 0.000 0.409 790 I N 2.880 123.552 120.570 0.169 0.000 2.315 790 I HA 0.207 4.376 4.170 -0.001 0.000 0.291 790 I C -0.283 175.967 176.117 0.222 0.000 1.006 790 I CA -0.732 60.677 61.300 0.182 0.000 1.265 790 I CB 1.401 39.495 38.000 0.157 0.000 1.387 790 I HN 0.199 nan 8.210 nan 0.000 0.475 791 V N 8.139 128.184 119.914 0.219 0.000 2.581 791 V HA 0.517 4.637 4.120 -0.001 0.000 0.303 791 V C -0.431 175.705 176.094 0.070 0.000 1.041 791 V CA -0.708 61.708 62.300 0.193 0.000 0.907 791 V CB 1.966 33.953 31.823 0.273 0.000 0.994 791 V HN 0.752 nan 8.190 nan 0.000 0.442 792 M N 7.342 126.912 119.600 -0.050 0.000 2.149 792 M HA 0.577 5.056 4.480 -0.001 0.000 0.342 792 M C -0.655 175.501 176.300 -0.241 0.000 1.068 792 M CA -0.514 54.536 55.300 -0.416 0.000 0.991 792 M CB 0.717 33.023 32.600 -0.490 0.000 1.596 792 M HN 0.759 nan 8.290 nan 0.000 0.439 793 R N 4.859 125.198 120.500 -0.267 0.000 2.562 793 R HA 0.665 5.005 4.340 -0.001 0.000 0.298 793 R C -1.960 174.241 176.300 -0.166 0.000 0.961 793 R CA -0.611 55.395 56.100 -0.156 0.000 0.881 793 R CB 1.477 31.706 30.300 -0.119 0.000 1.159 793 R HN 0.817 nan 8.270 nan 0.000 0.450 794 L N 3.569 124.687 121.223 -0.176 0.000 2.282 794 L HA 0.397 4.736 4.340 -0.001 0.000 0.288 794 L C -0.383 176.381 176.870 -0.176 0.000 1.033 794 L CA -0.341 54.333 54.840 -0.276 0.000 0.807 794 L CB 1.807 43.661 42.059 -0.341 0.000 1.209 794 L HN 0.597 nan 8.230 nan 0.000 0.423 795 E N 2.286 122.394 120.200 -0.153 0.000 2.113 795 E HA 0.432 4.781 4.350 -0.001 0.000 0.273 795 E C -0.483 176.063 176.600 -0.090 0.000 0.924 795 E CA -0.420 55.942 56.400 -0.063 0.000 0.764 795 E CB 1.852 31.562 29.700 0.017 0.000 1.104 795 E HN 0.622 nan 8.360 nan 0.000 0.406 796 T N -0.947 113.570 114.554 -0.061 0.000 2.831 796 T HA 0.338 4.688 4.350 -0.001 0.000 0.287 796 T C 0.208 174.941 174.700 0.055 0.000 1.070 796 T CA -0.703 61.332 62.100 -0.108 0.000 1.010 796 T CB 1.052 69.868 68.868 -0.086 0.000 1.264 796 T HN 0.576 nan 8.240 nan 0.000 0.532 797 H N -0.627 118.432 119.070 -0.018 0.000 2.505 797 H HA 0.410 4.965 4.556 -0.001 0.000 0.286 797 H C 0.131 175.458 175.328 -0.003 0.000 1.072 797 H CA -0.636 55.406 56.048 -0.009 0.000 1.141 797 H CB 0.059 29.815 29.762 -0.009 0.000 1.550 797 H HN 0.335 nan 8.280 nan 0.000 0.547 798 I N 1.867 122.495 120.570 0.098 0.000 2.752 798 I HA -0.141 4.029 4.170 -0.001 0.000 0.289 798 I C 0.604 176.763 176.117 0.069 0.000 1.197 798 I CA 0.378 61.718 61.300 0.066 0.000 1.432 798 I CB 0.406 38.434 38.000 0.048 0.000 1.359 798 I HN 0.203 nan 8.210 nan 0.000 0.571 799 D N 4.650 125.087 120.400 0.061 0.000 2.713 799 D HA 0.031 4.671 4.640 -0.001 0.000 0.229 799 D C 1.232 177.571 176.300 0.065 0.000 1.136 799 D CA -0.016 54.017 54.000 0.054 0.000 1.010 799 D CB 0.306 41.132 40.800 0.042 0.000 1.084 799 D HN 0.553 nan 8.370 nan 0.000 0.495 800 S N 0.151 115.897 115.700 0.076 0.000 2.496 800 S HA 0.239 4.708 4.470 -0.001 0.000 0.224 800 S C 1.617 176.270 174.600 0.088 0.000 0.996 800 S CA 0.250 58.510 58.200 0.099 0.000 0.927 800 S CB -0.189 63.082 63.200 0.119 0.000 0.774 800 S HN 0.521 nan 8.310 nan 0.000 0.524 801 G N 3.252 112.091 108.800 0.066 0.000 2.565 801 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.295 801 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.295 801 G C 0.141 175.082 174.900 0.069 0.000 1.165 801 G CA 0.581 45.715 45.100 0.057 0.000 0.977 801 G HN 0.753 nan 8.290 nan 0.000 0.546 802 D N 0.278 120.723 120.400 0.075 0.000 2.402 802 D HA 0.335 4.974 4.640 -0.001 0.000 0.216 802 D C 0.686 177.074 176.300 0.148 0.000 1.128 802 D CA -0.190 53.872 54.000 0.103 0.000 0.833 802 D CB 0.217 41.064 40.800 0.079 0.000 0.971 802 D HN 0.420 nan 8.370 nan 0.000 0.503 803 I N 1.555 122.200 120.570 0.125 0.000 2.412 803 I HA 0.465 4.634 4.170 -0.001 0.000 0.296 803 I C -0.263 175.960 176.117 0.176 0.000 0.987 803 I CA -1.076 60.251 61.300 0.045 0.000 1.180 803 I CB 0.616 38.606 38.000 -0.016 0.000 1.340 803 I HN -0.044 nan 8.210 nan 0.000 0.455 804 F N 4.820 124.607 119.950 -0.272 0.000 2.715 804 F HA 0.713 5.240 4.527 -0.000 0.000 0.318 804 F C -1.977 173.478 175.800 -0.574 0.000 1.141 804 F CA -1.501 56.352 58.000 -0.245 0.000 0.950 804 F CB 1.133 40.057 39.000 -0.126 0.000 1.374 804 F HN 0.178 nan 8.300 nan 0.000 0.477 805 Y N -0.056 119.984 120.300 -0.433 0.000 2.425 805 Y HA 0.683 5.233 4.550 -0.001 0.000 0.344 805 Y C 0.042 175.740 175.900 -0.337 0.000 0.969 805 Y CA -0.768 56.952 58.100 -0.634 0.000 1.052 805 Y CB 2.368 40.073 38.460 -1.259 0.000 1.215 805 Y HN 0.894 nan 8.280 nan 0.000 0.451 806 T N -1.455 113.011 114.554 -0.146 0.000 2.906 806 T HA 0.483 4.833 4.350 -0.001 0.000 0.295 806 T C -1.053 173.483 174.700 -0.273 0.000 1.075 806 T CA -1.091 60.954 62.100 -0.091 0.000 1.005 806 T CB 2.036 70.820 68.868 -0.140 0.000 1.136 806 T HN 0.572 nan 8.240 nan 0.000 0.498 807 D N 1.067 121.150 120.400 -0.528 0.000 2.340 807 D HA 0.362 5.001 4.640 -0.001 0.000 0.251 807 D C -0.581 175.452 176.300 -0.444 0.000 1.080 807 D CA -0.794 52.702 54.000 -0.841 0.000 0.971 807 D CB 1.160 41.188 40.800 -1.286 0.000 1.137 807 D HN 0.553 nan 8.370 nan 0.000 0.475 808 L N 0.908 121.912 121.223 -0.365 0.000 2.294 808 L HA 0.222 4.561 4.340 -0.001 0.000 0.283 808 L C -0.099 176.645 176.870 -0.210 0.000 1.015 808 L CA -0.805 53.910 54.840 -0.208 0.000 0.831 808 L CB 0.450 42.452 42.059 -0.095 0.000 1.217 808 L HN 0.432 nan 8.230 nan 0.000 0.420 809 N N 2.134 120.717 118.700 -0.195 0.000 2.708 809 N HA -0.226 4.513 4.740 -0.001 0.000 0.249 809 N C 0.986 176.271 175.510 -0.376 0.000 1.097 809 N CA 0.896 53.827 53.050 -0.198 0.000 0.710 809 N CB -1.106 37.345 38.487 -0.059 0.000 1.032 809 N HN 1.083 nan 8.380 nan 0.000 0.551 810 G N -1.522 107.051 108.800 -0.378 0.000 2.187 810 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.261 810 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.261 810 G C 0.654 175.508 174.900 -0.077 0.000 1.000 810 G CA 0.741 45.642 45.100 -0.332 0.000 0.718 810 G HN 0.508 nan 8.290 nan 0.000 0.519 811 L N -0.583 120.545 121.223 -0.158 0.000 2.467 811 L HA 0.487 4.827 4.340 -0.001 0.000 0.213 811 L C 0.974 177.718 176.870 -0.210 0.000 1.053 811 L CA 1.911 56.579 54.840 -0.286 0.000 0.847 811 L CB 0.171 41.921 42.059 -0.515 0.000 1.075 811 L HN 0.714 nan 8.230 nan 0.000 0.479 812 Q N -1.771 117.912 119.800 -0.196 0.000 2.472 812 Q HA 0.345 4.685 4.340 -0.001 0.000 0.281 812 Q C -1.702 174.180 176.000 -0.197 0.000 0.997 812 Q CA -0.737 55.014 55.803 -0.087 0.000 0.828 812 Q CB 0.972 29.721 28.738 0.017 0.000 1.443 812 Q HN -0.046 nan 8.270 nan 0.000 0.390 813 F N 1.334 121.227 119.950 -0.095 0.000 2.436 813 F HA 0.624 5.151 4.527 -0.001 0.000 0.340 813 F C -0.131 175.625 175.800 -0.074 0.000 1.113 813 F CA -0.871 57.088 58.000 -0.068 0.000 1.022 813 F CB 1.671 40.676 39.000 0.009 0.000 1.128 813 F HN 0.541 nan 8.300 nan 0.000 0.466 814 I N 3.521 124.101 120.570 0.017 0.000 2.509 814 I HA 0.333 4.503 4.170 -0.001 0.000 0.293 814 I C -0.554 175.414 176.117 -0.248 0.000 1.020 814 I CA -0.922 60.328 61.300 -0.082 0.000 1.088 814 I CB 1.365 39.267 38.000 -0.163 0.000 1.267 814 I HN 0.523 nan 8.210 nan 0.000 0.430 815 K N 6.810 127.017 120.400 -0.321 0.000 2.412 815 K HA 0.248 4.568 4.320 -0.001 0.000 0.281 815 K C -0.840 175.292 176.600 -0.779 0.000 1.027 815 K CA -0.312 55.495 56.287 -0.801 0.000 0.989 815 K CB 0.512 32.684 32.500 -0.546 0.000 0.935 815 K HN 0.493 nan 8.250 nan 0.000 0.475 816 R N 3.282 123.139 120.500 -1.071 0.000 2.664 816 R HA 0.330 4.670 4.340 -0.001 0.000 0.286 816 R C -0.516 175.295 176.300 -0.815 0.000 0.967 816 R CA -0.777 54.631 56.100 -1.154 0.000 0.933 816 R CB 1.526 30.561 30.300 -2.108 0.000 1.146 816 R HN 0.675 nan 8.270 nan 0.000 0.468 817 R N 1.717 121.965 120.500 -0.421 0.000 2.409 817 R HA 0.277 4.617 4.340 -0.001 0.000 0.313 817 R C -0.430 175.938 176.300 0.114 0.000 0.953 817 R CA -0.650 55.382 56.100 -0.113 0.000 0.849 817 R CB 1.279 31.541 30.300 -0.064 0.000 1.171 817 R HN 0.515 nan 8.270 nan 0.000 0.458 818 R N 5.066 125.745 120.500 0.299 0.000 2.480 818 R HA 0.043 4.383 4.340 -0.001 0.000 0.303 818 R C -0.907 175.481 176.300 0.146 0.000 0.985 818 R CA 0.395 56.676 56.100 0.303 0.000 1.051 818 R CB 0.285 30.727 30.300 0.238 0.000 0.935 818 R HN 0.545 nan 8.270 nan 0.000 0.410 819 L N 5.296 126.583 121.223 0.106 0.000 2.294 819 L HA 0.211 4.550 4.340 -0.001 0.000 0.283 819 L C 0.349 177.209 176.870 -0.016 0.000 1.015 819 L CA -0.666 54.190 54.840 0.026 0.000 0.831 819 L CB 1.883 43.927 42.059 -0.025 0.000 1.217 819 L HN 0.619 nan 8.230 nan 0.000 0.420 820 D N 1.681 122.079 120.400 -0.004 0.000 2.348 820 D HA -0.115 4.525 4.640 -0.001 0.000 0.216 820 D C 1.758 178.040 176.300 -0.032 0.000 0.970 820 D CA 0.770 54.763 54.000 -0.012 0.000 0.889 820 D CB 0.358 41.161 40.800 0.005 0.000 0.912 820 D HN 0.561 nan 8.370 nan 0.000 0.524 821 K N 0.347 120.720 120.400 -0.046 0.000 2.439 821 K HA -0.015 4.305 4.320 -0.001 0.000 0.197 821 K C 0.653 177.191 176.600 -0.104 0.000 1.041 821 K CA 0.417 56.673 56.287 -0.051 0.000 0.970 821 K CB 0.221 32.702 32.500 -0.030 0.000 0.773 821 K HN 0.104 nan 8.250 nan 0.000 0.479 822 L N 2.704 123.827 121.223 -0.168 0.000 2.331 822 L HA 0.440 4.780 4.340 -0.001 0.000 0.275 822 L C -2.191 174.573 176.870 -0.177 0.000 1.022 822 L CA -2.879 51.823 54.840 -0.231 0.000 0.812 822 L CB 1.264 43.087 42.059 -0.392 0.000 1.257 822 L HN -0.028 nan 8.230 nan 0.000 0.435 823 P HA 0.007 nan 4.420 nan 0.000 0.272 823 P C 0.891 178.065 177.300 -0.209 0.000 1.230 823 P CA -0.348 62.656 63.100 -0.161 0.000 0.788 823 P CB 1.298 32.929 31.700 -0.116 0.000 0.949 824 L N 1.072 122.204 121.223 -0.152 0.000 2.034 824 L HA -0.291 4.048 4.340 -0.001 0.000 0.217 824 L C 2.545 179.343 176.870 -0.120 0.000 1.077 824 L CA 1.969 56.748 54.840 -0.101 0.000 0.769 824 L CB -0.618 41.379 42.059 -0.103 0.000 0.890 824 L HN 0.446 nan 8.230 nan 0.000 0.435 825 Q N -0.441 119.184 119.800 -0.292 0.000 2.291 825 Q HA -0.167 4.172 4.340 -0.001 0.000 0.205 825 Q C 1.899 177.806 176.000 -0.156 0.000 0.970 825 Q CA 1.517 57.184 55.803 -0.226 0.000 0.876 825 Q CB -0.506 28.023 28.738 -0.348 0.000 0.935 825 Q HN 0.610 nan 8.270 nan 0.000 0.455 826 A N 1.526 124.036 122.820 -0.516 0.000 2.067 826 A HA -0.041 4.279 4.320 -0.001 0.000 0.217 826 A C 1.679 179.069 177.584 -0.324 0.000 1.156 826 A CA 0.780 52.349 52.037 -0.780 0.000 0.683 826 A CB -0.185 17.978 19.000 -1.395 0.000 0.808 826 A HN 0.350 nan 8.150 nan 0.000 0.455 827 N N -1.159 117.459 118.700 -0.135 0.000 2.398 827 N HA 0.037 4.777 4.740 -0.001 0.000 0.188 827 N C -0.737 174.838 175.510 0.108 0.000 1.122 827 N CA 0.204 53.285 53.050 0.051 0.000 0.866 827 N CB 0.011 38.581 38.487 0.139 0.000 0.970 827 N HN 0.458 nan 8.380 nan 0.000 0.462 828 Y N 0.360 120.602 120.300 -0.098 0.000 2.359 828 Y HA 0.142 4.692 4.550 -0.001 0.000 0.330 828 Y C -0.124 175.693 175.900 -0.140 0.000 1.143 828 Y CA 0.089 58.205 58.100 0.026 0.000 1.318 828 Y CB 0.315 38.867 38.460 0.154 0.000 1.234 828 Y HN -0.062 nan 8.280 nan 0.000 0.522 829 Y N 2.878 123.326 120.300 0.248 0.000 2.576 829 Y HA 0.427 4.976 4.550 -0.001 0.000 0.346 829 Y C -2.336 173.279 175.900 -0.474 0.000 1.018 829 Y CA -3.044 55.049 58.100 -0.011 0.000 1.050 829 Y CB 1.481 39.931 38.460 -0.017 0.000 1.280 829 Y HN 0.435 nan 8.280 nan 0.000 0.474 830 P HA 0.103 nan 4.420 nan 0.000 0.267 830 P C -0.614 176.447 177.300 -0.399 0.000 1.205 830 P CA 0.334 62.855 63.100 -0.965 0.000 0.765 830 P CB 0.410 31.459 31.700 -1.085 0.000 0.828 831 I N 5.744 126.162 120.570 -0.254 0.000 2.692 831 I HA 0.170 4.339 4.170 -0.001 0.000 0.285 831 I C -1.646 174.399 176.117 -0.121 0.000 1.191 831 I CA -2.525 58.696 61.300 -0.132 0.000 1.128 831 I CB 0.627 38.608 38.000 -0.031 0.000 1.585 831 I HN 0.212 nan 8.210 nan 0.000 0.558 832 P HA -0.067 nan 4.420 nan 0.000 0.221 832 P C 1.068 178.332 177.300 -0.060 0.000 1.150 832 P CA 1.242 64.266 63.100 -0.126 0.000 0.800 832 P CB 0.570 32.167 31.700 -0.171 0.000 0.787 833 S N -3.558 112.109 115.700 -0.055 0.000 2.483 833 S HA 0.442 4.912 4.470 -0.001 0.000 0.280 833 S C 0.578 175.256 174.600 0.131 0.000 1.059 833 S CA 0.308 58.532 58.200 0.039 0.000 1.359 833 S CB 0.252 63.496 63.200 0.073 0.000 1.171 833 S HN 0.309 nan 8.310 nan 0.000 0.625 834 G N 1.665 110.544 108.800 0.132 0.000 2.547 834 G HA2 0.594 4.554 3.960 -0.001 0.000 0.291 834 G HA3 0.594 4.554 3.960 -0.001 0.000 0.291 834 G C -1.404 173.727 174.900 0.385 0.000 1.471 834 G CA -0.534 44.773 45.100 0.345 0.000 0.798 834 G HN 0.834 nan 8.290 nan 0.000 0.504 835 M N -0.335 119.511 119.600 0.409 0.000 2.520 835 M HA 0.885 5.364 4.480 -0.001 0.000 0.280 835 M C -1.816 174.705 176.300 0.370 0.000 1.232 835 M CA -1.017 54.481 55.300 0.330 0.000 0.892 835 M CB 2.528 35.244 32.600 0.194 0.000 1.728 835 M HN 1.022 nan 8.290 nan 0.000 0.475 836 F N 1.097 121.185 119.950 0.230 0.000 2.645 836 F HA 0.903 5.429 4.527 -0.001 0.000 0.310 836 F C -1.656 174.275 175.800 0.218 0.000 1.102 836 F CA -1.210 56.870 58.000 0.133 0.000 0.952 836 F CB 1.141 40.134 39.000 -0.011 0.000 1.326 836 F HN 0.762 nan 8.300 nan 0.000 0.456 837 I N -0.066 120.727 120.570 0.371 0.000 2.740 837 I HA 0.858 5.028 4.170 -0.001 0.000 0.303 837 I C -1.279 175.023 176.117 0.309 0.000 1.044 837 I CA -0.842 60.647 61.300 0.315 0.000 1.064 837 I CB 2.307 40.412 38.000 0.175 0.000 1.249 837 I HN 0.929 nan 8.210 nan 0.000 0.433 838 E N 2.272 122.640 120.200 0.280 0.000 2.413 838 E HA 0.550 4.900 4.350 -0.001 0.000 0.277 838 E C -1.967 174.715 176.600 0.136 0.000 0.958 838 E CA -0.843 55.663 56.400 0.176 0.000 0.779 838 E CB 2.280 32.072 29.700 0.153 0.000 1.278 838 E HN 0.732 nan 8.360 nan 0.000 0.456 839 D N 0.848 121.297 120.400 0.083 0.000 2.726 839 D HA 0.431 5.071 4.640 -0.001 0.000 0.241 839 D C 0.981 177.309 176.300 0.047 0.000 1.150 839 D CA -0.174 53.867 54.000 0.069 0.000 1.089 839 D CB -0.118 40.716 40.800 0.055 0.000 1.260 839 D HN 0.443 nan 8.370 nan 0.000 0.637 840 A N -0.671 122.171 122.820 0.036 0.000 1.978 840 A HA -0.177 4.143 4.320 -0.001 0.000 0.220 840 A C 1.589 179.177 177.584 0.005 0.000 1.170 840 A CA 1.637 53.687 52.037 0.021 0.000 0.636 840 A CB -0.733 18.279 19.000 0.019 0.000 0.810 840 A HN 0.515 nan 8.150 nan 0.000 0.448 841 N N -1.712 116.991 118.700 0.004 0.000 2.407 841 N HA 0.071 4.811 4.740 -0.001 0.000 0.182 841 N C -0.418 175.080 175.510 -0.020 0.000 1.079 841 N CA 0.818 53.863 53.050 -0.009 0.000 0.882 841 N CB 0.577 39.061 38.487 -0.005 0.000 1.106 841 N HN 0.321 nan 8.380 nan 0.000 0.461 842 T N 0.560 115.107 114.554 -0.012 0.000 2.886 842 T HA 0.438 4.788 4.350 -0.001 0.000 0.292 842 T C -0.607 174.084 174.700 -0.015 0.000 1.012 842 T CA -0.664 61.423 62.100 -0.021 0.000 0.982 842 T CB 2.842 71.703 68.868 -0.012 0.000 1.018 842 T HN -0.047 nan 8.240 nan 0.000 0.451 843 R N 2.046 122.520 120.500 -0.043 0.000 2.686 843 R HA 0.714 5.054 4.340 -0.001 0.000 0.286 843 R C -1.890 174.387 176.300 -0.039 0.000 0.969 843 R CA -0.919 55.158 56.100 -0.038 0.000 0.898 843 R CB 1.300 31.515 30.300 -0.141 0.000 1.183 843 R HN 0.448 nan 8.270 nan 0.000 0.456 844 L N 2.752 123.982 121.223 0.012 0.000 2.325 844 L HA 0.481 4.821 4.340 -0.001 0.000 0.281 844 L C -1.228 175.682 176.870 0.067 0.000 1.004 844 L CA 0.100 54.942 54.840 0.003 0.000 0.823 844 L CB 2.145 44.194 42.059 -0.018 0.000 1.236 844 L HN 0.625 nan 8.230 nan 0.000 0.415 845 T N 5.809 120.385 114.554 0.035 0.000 2.792 845 T HA 0.538 4.887 4.350 -0.001 0.000 0.280 845 T C -1.003 173.765 174.700 0.112 0.000 0.990 845 T CA -0.262 61.899 62.100 0.101 0.000 0.960 845 T CB 1.285 70.144 68.868 -0.014 0.000 0.939 845 T HN 0.437 nan 8.240 nan 0.000 0.439 846 L N 5.369 126.694 121.223 0.170 0.000 2.298 846 L HA 0.552 4.892 4.340 -0.001 0.000 0.284 846 L C -1.341 175.675 176.870 0.244 0.000 1.013 846 L CA -0.681 54.268 54.840 0.181 0.000 0.824 846 L CB 0.514 42.657 42.059 0.140 0.000 1.221 846 L HN 0.402 nan 8.230 nan 0.000 0.418 847 L N 3.982 125.353 121.223 0.246 0.000 2.322 847 L HA 0.664 5.003 4.340 -0.001 0.000 0.279 847 L C 0.458 177.474 176.870 0.244 0.000 1.036 847 L CA -0.272 54.710 54.840 0.236 0.000 0.807 847 L CB 1.563 43.728 42.059 0.177 0.000 1.226 847 L HN 0.774 nan 8.230 nan 0.000 0.433 848 T N -2.321 112.325 114.554 0.153 0.000 2.908 848 T HA 0.611 4.961 4.350 -0.001 0.000 0.290 848 T C 0.672 175.322 174.700 -0.083 0.000 1.034 848 T CA -0.328 61.765 62.100 -0.012 0.000 1.010 848 T CB 1.936 70.803 68.868 -0.002 0.000 1.068 848 T HN 0.674 nan 8.240 nan 0.000 0.481 849 G N 1.251 109.928 108.800 -0.205 0.000 3.371 849 G HA2 0.414 4.374 3.960 -0.001 0.000 0.248 849 G HA3 0.414 4.374 3.960 -0.001 0.000 0.248 849 G C 0.174 175.001 174.900 -0.122 0.000 1.161 849 G CA -0.323 44.696 45.100 -0.135 0.000 0.796 849 G HN 0.954 nan 8.290 nan 0.000 0.539 850 Q N -0.163 119.557 119.800 -0.135 0.000 2.479 850 Q HA 0.304 4.644 4.340 -0.001 0.000 0.276 850 Q C -3.533 172.419 176.000 -0.079 0.000 0.989 850 Q CA -2.304 53.442 55.803 -0.094 0.000 0.864 850 Q CB 1.917 30.603 28.738 -0.086 0.000 1.444 850 Q HN -0.001 nan 8.270 nan 0.000 0.388 851 P HA 0.440 nan 4.420 nan 0.000 0.281 851 P C -0.716 176.566 177.300 -0.030 0.000 1.252 851 P CA -0.123 62.953 63.100 -0.039 0.000 0.778 851 P CB 0.949 32.634 31.700 -0.024 0.000 0.895 852 L N 1.785 122.986 121.223 -0.036 0.000 2.491 852 L HA 0.662 5.001 4.340 -0.001 0.000 0.254 852 L C 0.709 177.592 176.870 0.022 0.000 1.048 852 L CA -1.163 53.679 54.840 0.004 0.000 0.855 852 L CB 2.139 44.187 42.059 -0.018 0.000 1.466 852 L HN 0.335 nan 8.230 nan 0.000 0.409 853 G N -0.876 107.993 108.800 0.114 0.000 2.400 853 G HA2 0.676 4.635 3.960 -0.001 0.000 0.301 853 G HA3 0.676 4.635 3.960 -0.001 0.000 0.301 853 G C -0.453 174.468 174.900 0.035 0.000 1.154 853 G CA 0.135 45.356 45.100 0.201 0.000 0.852 853 G HN 0.875 nan 8.290 nan 0.000 0.511 854 G N -1.322 107.317 108.800 -0.267 0.000 2.606 854 G HA2 0.683 4.642 3.960 -0.001 0.000 0.300 854 G HA3 0.683 4.642 3.960 -0.001 0.000 0.300 854 G C -1.204 173.242 174.900 -0.757 0.000 1.360 854 G CA 0.372 45.105 45.100 -0.613 0.000 0.783 854 G HN 1.245 nan 8.290 nan 0.000 0.484 855 S N -1.976 113.353 115.700 -0.618 0.000 2.655 855 S HA 0.707 5.176 4.470 -0.001 0.000 0.266 855 S C -1.565 172.589 174.600 -0.742 0.000 1.149 855 S CA 0.295 58.133 58.200 -0.604 0.000 0.818 855 S CB 1.334 64.232 63.200 -0.504 0.000 1.130 855 S HN 1.492 nan 8.310 nan 0.000 0.476 856 S N 1.730 116.679 115.700 -1.252 0.000 2.718 856 S HA 0.484 4.953 4.470 -0.001 0.000 0.294 856 S C 0.221 174.541 174.600 -0.467 0.000 1.157 856 S CA -0.634 57.099 58.200 -0.778 0.000 1.121 856 S CB -0.015 62.701 63.200 -0.806 0.000 1.015 856 S HN 0.579 nan 8.310 nan 0.000 0.479 857 L N 3.177 124.276 121.223 -0.208 0.000 2.558 857 L HA 0.476 4.816 4.340 -0.001 0.000 0.225 857 L C 0.848 177.699 176.870 -0.032 0.000 1.128 857 L CA 0.278 55.080 54.840 -0.063 0.000 0.868 857 L CB -0.024 42.062 42.059 0.044 0.000 1.006 857 L HN 0.709 nan 8.230 nan 0.000 0.454 858 A N -1.269 121.520 122.820 -0.051 0.000 2.605 858 A HA 0.427 4.747 4.320 -0.001 0.000 0.294 858 A C -0.464 177.111 177.584 -0.015 0.000 1.062 858 A CA -0.456 51.572 52.037 -0.015 0.000 0.682 858 A CB 1.126 20.126 19.000 -0.001 0.000 1.278 858 A HN -0.143 nan 8.150 nan 0.000 0.410 859 S N -0.034 115.672 115.700 0.010 0.000 2.558 859 S HA 0.399 4.869 4.470 -0.001 0.000 0.293 859 S C 1.549 176.165 174.600 0.027 0.000 1.292 859 S CA 1.908 60.123 58.200 0.026 0.000 1.063 859 S CB -0.027 63.192 63.200 0.032 0.000 0.831 859 S HN 2.673 nan 8.310 nan 0.000 0.499 860 G N 3.340 112.161 108.800 0.035 0.000 2.184 860 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.264 860 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.264 860 G C -0.156 174.744 174.900 0.001 0.000 0.975 860 G CA 0.552 45.674 45.100 0.037 0.000 0.642 860 G HN 0.726 nan 8.290 nan 0.000 0.536 861 E N -0.569 119.615 120.200 -0.027 0.000 2.212 861 E HA 0.765 5.115 4.350 -0.001 0.000 0.270 861 E C -0.203 176.335 176.600 -0.103 0.000 0.956 861 E CA -0.737 55.624 56.400 -0.065 0.000 0.825 861 E CB 1.759 31.421 29.700 -0.065 0.000 1.167 861 E HN 0.242 nan 8.360 nan 0.000 0.400 862 L N 1.919 123.076 121.223 -0.110 0.000 2.401 862 L HA 0.469 4.808 4.340 -0.001 0.000 0.266 862 L C -0.579 176.219 176.870 -0.120 0.000 0.991 862 L CA -0.615 54.151 54.840 -0.124 0.000 0.818 862 L CB 1.979 43.996 42.059 -0.070 0.000 1.321 862 L HN 0.656 nan 8.230 nan 0.000 0.413 863 E N 3.082 123.201 120.200 -0.135 0.000 2.413 863 E HA 0.746 5.096 4.350 -0.001 0.000 0.277 863 E C -1.498 175.046 176.600 -0.093 0.000 0.958 863 E CA -0.882 55.468 56.400 -0.084 0.000 0.779 863 E CB 3.427 33.122 29.700 -0.008 0.000 1.278 863 E HN 0.524 nan 8.360 nan 0.000 0.456 864 I N 1.826 122.381 120.570 -0.025 0.000 2.649 864 I HA 0.296 4.465 4.170 -0.001 0.000 0.289 864 I C -1.515 174.661 176.117 0.098 0.000 1.222 864 I CA -1.002 60.304 61.300 0.011 0.000 1.046 864 I CB 1.959 39.971 38.000 0.020 0.000 1.272 864 I HN 0.779 nan 8.210 nan 0.000 0.425 865 M N 6.267 125.962 119.600 0.158 0.000 2.238 865 M HA 0.238 4.717 4.480 -0.001 0.000 0.347 865 M C 0.583 176.985 176.300 0.170 0.000 1.173 865 M CA 0.635 56.039 55.300 0.174 0.000 1.147 865 M CB 0.945 33.618 32.600 0.123 0.000 1.547 865 M HN 0.589 nan 8.290 nan 0.000 0.455 866 Q N 1.354 121.290 119.800 0.226 0.000 2.287 866 Q HA 0.256 4.596 4.340 -0.001 0.000 0.201 866 Q C -0.270 175.947 176.000 0.362 0.000 0.946 866 Q CA 0.877 56.888 55.803 0.347 0.000 0.868 866 Q CB 0.369 29.336 28.738 0.382 0.000 0.967 866 Q HN 0.745 nan 8.270 nan 0.000 0.516 867 D N -0.868 119.670 120.400 0.230 0.000 2.653 867 D HA 0.297 4.936 4.640 -0.001 0.000 0.258 867 D C -1.396 174.978 176.300 0.124 0.000 1.252 867 D CA -0.470 53.639 54.000 0.182 0.000 0.777 867 D CB 1.573 42.466 40.800 0.154 0.000 1.339 867 D HN 0.041 nan 8.370 nan 0.000 0.422 868 R N 0.763 121.326 120.500 0.104 0.000 2.548 868 R HA 0.673 5.013 4.340 -0.001 0.000 0.280 868 R C -0.966 175.384 176.300 0.082 0.000 1.061 868 R CA -1.054 55.093 56.100 0.079 0.000 0.915 868 R CB 2.182 32.505 30.300 0.039 0.000 1.210 868 R HN 0.294 nan 8.270 nan 0.000 0.442 869 R N 3.923 124.469 120.500 0.077 0.000 2.435 869 R HA 0.435 4.775 4.340 -0.001 0.000 0.308 869 R C -1.472 174.867 176.300 0.065 0.000 0.975 869 R CA -0.550 55.591 56.100 0.069 0.000 0.867 869 R CB 1.151 31.487 30.300 0.061 0.000 1.171 869 R HN 0.709 nan 8.270 nan 0.000 0.470 870 L N 3.919 125.179 121.223 0.061 0.000 2.356 870 L HA 0.546 4.886 4.340 -0.001 0.000 0.277 870 L C 0.873 177.771 176.870 0.048 0.000 0.996 870 L CA -0.604 54.270 54.840 0.056 0.000 0.822 870 L CB 2.122 44.216 42.059 0.058 0.000 1.256 870 L HN 0.764 nan 8.230 nan 0.000 0.413 871 A N 1.632 124.477 122.820 0.042 0.000 2.067 871 A HA 0.126 4.446 4.320 -0.001 0.000 0.217 871 A C 0.948 178.551 177.584 0.033 0.000 1.156 871 A CA 0.737 52.796 52.037 0.036 0.000 0.683 871 A CB -0.032 18.987 19.000 0.032 0.000 0.808 871 A HN 0.628 nan 8.150 nan 0.000 0.455 872 S N -0.345 115.374 115.700 0.033 0.000 2.578 872 S HA 0.431 4.901 4.470 -0.001 0.000 0.301 872 S C -0.737 173.883 174.600 0.035 0.000 1.091 872 S CA -0.696 57.521 58.200 0.028 0.000 1.032 872 S CB 1.558 64.771 63.200 0.020 0.000 1.064 872 S HN 0.472 nan 8.310 nan 0.000 0.508 873 D N 0.358 120.779 120.400 0.034 0.000 2.304 873 D HA 0.232 4.872 4.640 -0.001 0.000 0.247 873 D C -0.105 176.214 176.300 0.031 0.000 1.089 873 D CA -0.398 53.630 54.000 0.046 0.000 0.910 873 D CB 0.689 41.516 40.800 0.045 0.000 1.199 873 D HN 0.499 nan 8.370 nan 0.000 0.426 874 D N 1.955 122.378 120.400 0.038 0.000 2.463 874 D HA 0.059 4.699 4.640 -0.001 0.000 0.224 874 D C -0.377 175.886 176.300 -0.062 0.000 1.174 874 D CA -0.283 53.707 54.000 -0.017 0.000 0.829 874 D CB -0.477 40.302 40.800 -0.035 0.000 0.993 874 D HN 0.694 nan 8.370 nan 0.000 0.497 875 E N -0.283 119.906 120.200 -0.019 0.000 2.637 875 E HA -0.219 4.131 4.350 -0.001 0.000 0.265 875 E C 0.218 176.781 176.600 -0.061 0.000 1.073 875 E CA 0.198 56.584 56.400 -0.024 0.000 0.778 875 E CB -0.800 28.884 29.700 -0.028 0.000 1.362 875 E HN 0.188 nan 8.360 nan 0.000 0.413 876 R N -0.551 119.878 120.500 -0.118 0.000 2.546 876 R HA 0.227 4.567 4.340 -0.001 0.000 0.320 876 R C 1.377 177.728 176.300 0.085 0.000 1.021 876 R CA 0.652 56.604 56.100 -0.248 0.000 1.088 876 R CB 0.906 30.582 30.300 -1.040 0.000 1.278 876 R HN 0.429 nan 8.270 nan 0.000 0.557 877 G N 0.660 109.593 108.800 0.221 0.000 2.213 877 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.226 877 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.226 877 G C 0.794 175.800 174.900 0.177 0.000 0.992 877 G CA 0.223 45.528 45.100 0.340 0.000 0.632 877 G HN 0.295 nan 8.290 nan 0.000 0.511 878 L N 1.521 122.959 121.223 0.359 0.000 2.083 878 L HA 0.384 4.724 4.340 -0.001 0.000 0.209 878 L C 2.286 179.156 176.870 -0.000 0.000 1.083 878 L CA 2.976 57.916 54.840 0.168 0.000 0.752 878 L CB -0.692 41.605 42.059 0.397 0.000 0.899 878 L HN 1.765 nan 8.230 nan 0.000 0.433 879 G N -0.694 108.135 108.800 0.048 0.000 2.160 879 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.251 879 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.251 879 G C 0.102 175.015 174.900 0.020 0.000 1.008 879 G CA 0.634 45.742 45.100 0.013 0.000 0.724 879 G HN 0.787 nan 8.290 nan 0.000 0.514 880 Q N -1.902 117.926 119.800 0.047 0.000 2.575 880 Q HA 0.686 5.026 4.340 -0.001 0.000 0.290 880 Q C 0.378 176.413 176.000 0.059 0.000 0.963 880 Q CA -0.586 55.243 55.803 0.045 0.000 0.783 880 Q CB 0.536 29.298 28.738 0.040 0.000 1.467 880 Q HN 0.937 nan 8.270 nan 0.000 0.402 881 G N -0.004 108.826 108.800 0.050 0.000 2.509 881 G HA2 0.512 4.472 3.960 -0.001 0.000 0.269 881 G HA3 0.512 4.472 3.960 -0.001 0.000 0.269 881 G C -0.936 173.999 174.900 0.058 0.000 1.416 881 G CA -0.668 44.464 45.100 0.052 0.000 1.052 881 G HN 0.412 nan 8.290 nan 0.000 0.542 882 V N 0.892 120.842 119.914 0.059 0.000 2.266 882 V HA 0.328 4.448 4.120 -0.001 0.000 0.271 882 V C 0.129 176.262 176.094 0.066 0.000 1.032 882 V CA -0.143 62.198 62.300 0.069 0.000 0.806 882 V CB 0.836 32.704 31.823 0.074 0.000 1.052 882 V HN 0.539 nan 8.190 nan 0.000 0.449 883 L N 3.057 124.318 121.223 0.062 0.000 3.069 883 L HA 0.320 4.660 4.340 -0.001 0.000 0.271 883 L C 0.639 177.541 176.870 0.054 0.000 1.201 883 L CA 0.045 54.917 54.840 0.054 0.000 1.015 883 L CB 0.651 42.736 42.059 0.044 0.000 1.371 883 L HN 0.662 nan 8.230 nan 0.000 0.574 884 D N -2.022 118.418 120.400 0.067 0.000 2.615 884 D HA 0.061 4.701 4.640 -0.001 0.000 0.236 884 D C 0.086 176.430 176.300 0.073 0.000 1.233 884 D CA -0.462 53.578 54.000 0.066 0.000 0.829 884 D CB -0.446 40.401 40.800 0.078 0.000 1.024 884 D HN 0.076 nan 8.370 nan 0.000 0.490 885 N N 1.604 120.345 118.700 0.068 0.000 2.395 885 N HA 0.119 4.858 4.740 -0.001 0.000 0.246 885 N C 0.176 175.698 175.510 0.020 0.000 1.246 885 N CA 0.282 53.372 53.050 0.067 0.000 0.879 885 N CB 0.692 39.215 38.487 0.061 0.000 1.098 885 N HN 0.318 nan 8.380 nan 0.000 0.444 886 K N -0.392 120.006 120.400 -0.005 0.000 2.512 886 K HA 0.567 4.887 4.320 -0.001 0.000 0.263 886 K C -3.209 173.361 176.600 -0.050 0.000 0.966 886 K CA -2.081 54.156 56.287 -0.084 0.000 0.851 886 K CB 1.349 33.704 32.500 -0.242 0.000 1.395 886 K HN 0.127 nan 8.250 nan 0.000 0.440 887 P HA -0.051 nan 4.420 nan 0.000 0.262 887 P C -0.981 176.335 177.300 0.026 0.000 1.182 887 P CA -0.380 62.696 63.100 -0.039 0.000 0.761 887 P CB 0.711 32.377 31.700 -0.057 0.000 0.795 888 V N 5.232 125.129 119.914 -0.030 0.000 2.789 888 V HA 0.480 4.600 4.120 -0.001 0.000 0.311 888 V C -1.224 174.747 176.094 -0.205 0.000 1.073 888 V CA -1.136 61.132 62.300 -0.054 0.000 0.921 888 V CB 2.097 33.870 31.823 -0.082 0.000 1.009 888 V HN 0.286 nan 8.190 nan 0.000 0.426 889 L N 6.960 128.094 121.223 -0.148 0.000 2.288 889 L HA 0.581 4.921 4.340 -0.001 0.000 0.283 889 L C -0.356 176.505 176.870 -0.015 0.000 1.072 889 L CA 0.115 54.898 54.840 -0.095 0.000 0.862 889 L CB 0.180 42.201 42.059 -0.063 0.000 1.245 889 L HN 0.709 nan 8.230 nan 0.000 0.432 890 H N 5.576 124.658 119.070 0.021 0.000 2.610 890 H HA 0.464 5.020 4.556 -0.000 0.000 0.336 890 H C -0.048 175.183 175.328 -0.161 0.000 1.087 890 H CA -0.119 55.890 56.048 -0.066 0.000 1.405 890 H CB 1.076 30.886 29.762 0.079 0.000 1.460 890 H HN 0.701 nan 8.280 nan 0.000 0.538 891 I N 0.253 120.644 120.570 -0.298 0.000 2.785 891 I HA 0.629 4.798 4.170 -0.001 0.000 0.302 891 I C -1.448 174.314 176.117 -0.593 0.000 1.069 891 I CA -0.959 60.189 61.300 -0.252 0.000 1.045 891 I CB 2.221 40.167 38.000 -0.090 0.000 1.236 891 I HN 0.243 nan 8.210 nan 0.000 0.429 892 Y N 2.276 122.618 120.300 0.070 0.000 2.638 892 Y HA 0.678 5.228 4.550 -0.001 0.000 0.335 892 Y C -0.694 175.254 175.900 0.081 0.000 1.155 892 Y CA -1.077 57.072 58.100 0.082 0.000 1.046 892 Y CB 1.579 40.107 38.460 0.113 0.000 1.303 892 Y HN 0.421 nan 8.280 nan 0.000 0.460 893 R N 1.451 122.109 120.500 0.263 0.000 2.686 893 R HA 0.621 4.961 4.340 -0.001 0.000 0.286 893 R C -1.885 174.528 176.300 0.188 0.000 0.969 893 R CA -1.145 55.066 56.100 0.185 0.000 0.898 893 R CB 2.659 33.027 30.300 0.114 0.000 1.183 893 R HN 0.672 nan 8.270 nan 0.000 0.456 894 L N 2.420 123.735 121.223 0.153 0.000 2.316 894 L HA 0.429 4.768 4.340 -0.001 0.000 0.280 894 L C -1.224 175.675 176.870 0.049 0.000 1.006 894 L CA -0.550 54.356 54.840 0.110 0.000 0.836 894 L CB 1.803 43.939 42.059 0.127 0.000 1.221 894 L HN 0.309 nan 8.230 nan 0.000 0.418 895 V N 6.198 126.125 119.914 0.023 0.000 2.350 895 V HA 0.400 4.519 4.120 -0.001 0.000 0.285 895 V C -0.359 175.711 176.094 -0.040 0.000 1.014 895 V CA -0.561 61.732 62.300 -0.011 0.000 0.831 895 V CB 1.370 33.180 31.823 -0.023 0.000 1.000 895 V HN 0.634 nan 8.190 nan 0.000 0.433 896 L N 5.473 126.667 121.223 -0.048 0.000 2.264 896 L HA 0.670 5.010 4.340 -0.001 0.000 0.289 896 L C -0.126 176.704 176.870 -0.066 0.000 1.044 896 L CA 0.636 55.439 54.840 -0.062 0.000 0.807 896 L CB 1.004 43.022 42.059 -0.069 0.000 1.192 896 L HN 0.731 nan 8.230 nan 0.000 0.425 897 E N 3.783 123.937 120.200 -0.076 0.000 2.367 897 E HA 0.451 4.800 4.350 -0.001 0.000 0.273 897 E C -1.203 175.351 176.600 -0.076 0.000 0.903 897 E CA -1.210 55.141 56.400 -0.081 0.000 0.764 897 E CB 1.509 31.145 29.700 -0.108 0.000 1.252 897 E HN 0.262 nan 8.360 nan 0.000 0.446 898 K N 1.378 121.737 120.400 -0.069 0.000 2.276 898 K HA 0.167 4.486 4.320 -0.001 0.000 0.283 898 K C 0.461 177.016 176.600 -0.074 0.000 1.044 898 K CA -0.133 56.117 56.287 -0.062 0.000 0.944 898 K CB 1.159 33.629 32.500 -0.051 0.000 1.012 898 K HN 0.483 nan 8.250 nan 0.000 0.472 899 V N -0.632 119.238 119.914 -0.073 0.000 3.346 899 V HA 0.004 4.123 4.120 -0.001 0.000 0.309 899 V C 1.226 177.282 176.094 -0.063 0.000 1.457 899 V CA -0.237 62.011 62.300 -0.086 0.000 1.069 899 V CB -0.308 31.446 31.823 -0.114 0.000 0.944 899 V HN 0.619 nan 8.190 nan 0.000 0.449 900 N N 1.641 120.313 118.700 -0.047 0.000 2.272 900 N HA -0.203 4.537 4.740 -0.001 0.000 0.185 900 N C 1.052 176.540 175.510 -0.037 0.000 1.014 900 N CA 1.795 54.825 53.050 -0.034 0.000 0.870 900 N CB -0.571 37.900 38.487 -0.026 0.000 0.975 900 N HN 0.539 nan 8.380 nan 0.000 0.433 901 N N 0.065 118.738 118.700 -0.046 0.000 2.336 901 N HA 0.062 4.801 4.740 -0.001 0.000 0.189 901 N C -0.250 175.226 175.510 -0.056 0.000 1.113 901 N CA -0.068 52.954 53.050 -0.047 0.000 0.858 901 N CB -0.004 38.456 38.487 -0.046 0.000 0.970 901 N HN 0.229 nan 8.380 nan 0.000 0.471 902 c N 1.338 119.898 118.600 -0.067 0.000 2.593 902 c HA 0.235 4.804 4.570 -0.001 0.000 0.409 902 c C 1.059 175.107 174.090 -0.071 0.000 1.304 902 c CA -0.981 55.299 56.329 -0.081 0.000 2.007 902 c CB 0.602 43.049 42.510 -0.104 0.000 2.614 902 c HN 0.019 nan 8.230 nan 0.000 0.585 903 V N 5.860 125.728 119.914 -0.078 0.000 2.381 903 V HA 0.170 4.289 4.120 -0.001 0.000 0.257 903 V C 0.696 176.744 176.094 -0.076 0.000 1.057 903 V CA 0.474 62.732 62.300 -0.071 0.000 1.013 903 V CB -0.804 30.972 31.823 -0.077 0.000 1.069 903 V HN 0.787 nan 8.190 nan 0.000 0.484 904 R N 4.631 125.100 120.500 -0.052 0.000 2.674 904 R HA 0.533 4.873 4.340 -0.001 0.000 0.266 904 R C -2.418 173.869 176.300 -0.021 0.000 1.016 904 R CA -1.852 54.225 56.100 -0.037 0.000 1.062 904 R CB 1.017 31.302 30.300 -0.026 0.000 1.142 904 R HN 0.394 nan 8.270 nan 0.000 0.517 905 P HA -0.037 nan 4.420 nan 0.000 0.270 905 P C -0.409 176.931 177.300 0.065 0.000 1.223 905 P CA -0.189 62.896 63.100 -0.025 0.000 0.785 905 P CB 0.609 32.228 31.700 -0.135 0.000 0.923 906 S N 1.267 117.032 115.700 0.108 0.000 2.587 906 S HA 0.055 4.524 4.470 -0.001 0.000 0.260 906 S C 1.157 175.839 174.600 0.137 0.000 1.353 906 S CA -0.128 58.138 58.200 0.111 0.000 0.995 906 S CB 0.271 63.537 63.200 0.110 0.000 0.912 906 S HN 0.327 nan 8.310 nan 0.000 0.568 907 K N 0.248 120.710 120.400 0.104 0.000 2.218 907 K HA -0.024 4.295 4.320 -0.001 0.000 0.205 907 K C 1.391 178.049 176.600 0.096 0.000 1.046 907 K CA 1.414 57.759 56.287 0.097 0.000 0.933 907 K CB -0.557 31.983 32.500 0.068 0.000 0.728 907 K HN 0.576 nan 8.250 nan 0.000 0.454 908 L N -0.179 121.104 121.223 0.099 0.000 2.607 908 L HA 0.060 4.399 4.340 -0.001 0.000 0.228 908 L C 0.914 177.837 176.870 0.088 0.000 1.123 908 L CA -0.314 54.568 54.840 0.070 0.000 0.890 908 L CB -0.124 41.962 42.059 0.045 0.000 1.103 908 L HN 0.199 nan 8.230 nan 0.000 0.468 909 H N 2.816 121.926 119.070 0.067 0.000 2.722 909 H HA 0.122 4.678 4.556 -0.000 0.000 0.328 909 H C -1.706 173.668 175.328 0.076 0.000 1.067 909 H CA -1.551 54.550 56.048 0.089 0.000 1.447 909 H CB 1.874 31.716 29.762 0.133 0.000 1.469 909 H HN -0.082 nan 8.280 nan 0.000 0.544 910 P HA 0.131 nan 4.420 nan 0.000 0.249 910 P C -0.267 177.144 177.300 0.184 0.000 1.229 910 P CA 0.163 63.297 63.100 0.058 0.000 0.788 910 P CB 0.473 32.131 31.700 -0.069 0.000 1.072 911 A N -0.259 122.856 122.820 0.492 0.000 2.281 911 A HA 0.743 5.062 4.320 -0.001 0.000 0.329 911 A C 0.303 177.984 177.584 0.162 0.000 1.122 911 A CA -0.268 51.929 52.037 0.268 0.000 0.850 911 A CB 0.944 20.100 19.000 0.260 0.000 1.207 911 A HN 0.176 nan 8.150 nan 0.000 0.495 912 G N -1.420 107.337 108.800 -0.071 0.000 2.658 912 G HA2 0.629 4.589 3.960 -0.001 0.000 0.292 912 G HA3 0.629 4.589 3.960 -0.001 0.000 0.292 912 G C -1.847 172.659 174.900 -0.656 0.000 1.320 912 G CA -0.400 44.567 45.100 -0.221 0.000 0.933 912 G HN 0.525 nan 8.290 nan 0.000 0.476 913 Y N -0.651 119.597 120.300 -0.088 0.000 2.492 913 Y HA 0.472 5.022 4.550 -0.001 0.000 0.346 913 Y C 0.373 176.016 175.900 -0.427 0.000 0.997 913 Y CA -0.854 57.123 58.100 -0.206 0.000 1.025 913 Y CB 2.037 40.377 38.460 -0.200 0.000 1.263 913 Y HN 0.339 nan 8.280 nan 0.000 0.454 914 L N 2.431 123.467 121.223 -0.311 0.000 2.464 914 L HA 0.333 4.672 4.340 -0.001 0.000 0.264 914 L C 0.761 177.475 176.870 -0.260 0.000 1.199 914 L CA -0.440 54.151 54.840 -0.413 0.000 0.818 914 L CB 0.780 42.671 42.059 -0.280 0.000 1.102 914 L HN 0.795 nan 8.230 nan 0.000 0.473 915 T N -2.357 112.038 114.554 -0.266 0.000 2.816 915 T HA 0.053 4.403 4.350 -0.001 0.000 0.282 915 T C 1.155 175.804 174.700 -0.085 0.000 0.993 915 T CA -0.156 61.840 62.100 -0.173 0.000 0.994 915 T CB 1.473 70.236 68.868 -0.175 0.000 1.025 915 T HN 0.626 nan 8.240 nan 0.000 0.529 916 S N 0.625 116.287 115.700 -0.064 0.000 2.353 916 S HA -0.165 4.305 4.470 -0.001 0.000 0.222 916 S C 2.376 176.987 174.600 0.019 0.000 1.035 916 S CA 1.564 59.760 58.200 -0.007 0.000 1.025 916 S CB -1.280 61.900 63.200 -0.034 0.000 0.902 916 S HN 0.937 nan 8.310 nan 0.000 0.440 917 A N 1.240 124.047 122.820 -0.022 0.000 1.933 917 A HA 0.185 4.505 4.320 -0.001 0.000 0.218 917 A C 2.473 180.052 177.584 -0.008 0.000 1.175 917 A CA 1.972 53.999 52.037 -0.016 0.000 0.628 917 A CB -1.349 17.631 19.000 -0.032 0.000 0.814 917 A HN 0.832 nan 8.150 nan 0.000 0.444 918 A N -1.405 121.397 122.820 -0.030 0.000 1.897 918 A HA -0.162 4.158 4.320 -0.001 0.000 0.215 918 A C 2.121 179.734 177.584 0.048 0.000 1.181 918 A CA 1.578 53.600 52.037 -0.024 0.000 0.620 918 A CB -0.929 18.000 19.000 -0.119 0.000 0.821 918 A HN 0.771 nan 8.150 nan 0.000 0.443 919 H N 0.127 119.184 119.070 -0.022 0.000 2.321 919 H HA -0.091 4.465 4.556 -0.000 0.000 0.300 919 H C 1.905 177.272 175.328 0.065 0.000 1.087 919 H CA 1.987 58.059 56.048 0.039 0.000 1.319 919 H CB -0.075 29.705 29.762 0.030 0.000 1.379 919 H HN 0.443 nan 8.280 nan 0.000 0.501 920 K N 0.194 120.556 120.400 -0.063 0.000 2.103 920 K HA -0.111 4.209 4.320 -0.001 0.000 0.207 920 K C 2.426 178.992 176.600 -0.056 0.000 1.048 920 K CA 1.008 57.243 56.287 -0.086 0.000 0.930 920 K CB -0.089 32.410 32.500 -0.002 0.000 0.716 920 K HN 0.290 nan 8.250 nan 0.000 0.444 921 A N 0.791 123.601 122.820 -0.016 0.000 1.902 921 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 921 A C 2.208 179.798 177.584 0.010 0.000 1.181 921 A CA 2.104 54.146 52.037 0.009 0.000 0.623 921 A CB -0.799 18.221 19.000 0.033 0.000 0.818 921 A HN 0.292 nan 8.150 nan 0.000 0.443 922 S N -0.659 115.052 115.700 0.018 0.000 2.359 922 S HA -0.265 4.204 4.470 -0.001 0.000 0.224 922 S C 2.157 176.750 174.600 -0.012 0.000 1.035 922 S CA 1.880 60.105 58.200 0.042 0.000 1.018 922 S CB -0.421 62.852 63.200 0.121 0.000 0.876 922 S HN 0.682 nan 8.310 nan 0.000 0.448 923 Q N 0.486 120.234 119.800 -0.087 0.000 2.170 923 Q HA -0.091 4.248 4.340 -0.001 0.000 0.203 923 Q C 2.519 178.479 176.000 -0.066 0.000 0.976 923 Q CA 1.694 57.448 55.803 -0.081 0.000 0.858 923 Q CB -0.301 28.371 28.738 -0.110 0.000 0.907 923 Q HN 0.818 nan 8.270 nan 0.000 0.433 924 S N 0.207 115.877 115.700 -0.050 0.000 2.423 924 S HA -0.073 4.396 4.470 -0.001 0.000 0.231 924 S C 1.864 176.421 174.600 -0.072 0.000 1.014 924 S CA 0.649 58.817 58.200 -0.053 0.000 0.965 924 S CB -0.235 62.950 63.200 -0.025 0.000 0.785 924 S HN 0.267 nan 8.310 nan 0.000 0.495 925 L N 0.131 121.321 121.223 -0.055 0.000 2.102 925 L HA 0.197 4.537 4.340 -0.001 0.000 0.202 925 L C 2.584 179.395 176.870 -0.099 0.000 1.076 925 L CA 0.797 55.599 54.840 -0.063 0.000 0.761 925 L CB -0.417 41.622 42.059 -0.032 0.000 0.921 925 L HN 0.274 nan 8.230 nan 0.000 0.444 926 L N -1.066 120.104 121.223 -0.088 0.000 2.162 926 L HA -0.011 4.329 4.340 -0.001 0.000 0.205 926 L C 0.221 176.973 176.870 -0.196 0.000 1.086 926 L CA 0.883 55.656 54.840 -0.112 0.000 0.778 926 L CB 0.038 42.057 42.059 -0.066 0.000 0.928 926 L HN 0.228 nan 8.230 nan 0.000 0.446 927 D N 0.467 120.743 120.400 -0.206 0.000 2.502 927 D HA 0.238 4.878 4.640 -0.001 0.000 0.301 927 D C -2.337 173.763 176.300 -0.334 0.000 1.202 927 D CA -1.046 52.757 54.000 -0.328 0.000 0.878 927 D CB 1.192 41.973 40.800 -0.031 0.000 1.062 927 D HN 0.073 nan 8.370 nan 0.000 0.499 928 P HA 0.105 nan 4.420 nan 0.000 0.273 928 P C 0.648 177.839 177.300 -0.182 0.000 1.250 928 P CA -0.525 62.430 63.100 -0.242 0.000 0.793 928 P CB 1.483 33.051 31.700 -0.221 0.000 1.011 929 L N 1.029 122.194 121.223 -0.097 0.000 2.559 929 L HA 0.009 4.349 4.340 -0.001 0.000 0.282 929 L C 0.873 177.736 176.870 -0.012 0.000 1.232 929 L CA 0.679 55.500 54.840 -0.031 0.000 0.885 929 L CB -0.430 41.619 42.059 -0.017 0.000 1.131 929 L HN 0.285 nan 8.230 nan 0.000 0.498 930 D N 4.141 124.599 120.400 0.096 0.000 2.255 930 D HA 0.289 4.928 4.640 -0.001 0.000 0.249 930 D C -0.254 176.047 176.300 0.001 0.000 1.078 930 D CA -0.253 53.754 54.000 0.012 0.000 0.896 930 D CB 1.537 42.400 40.800 0.105 0.000 1.194 930 D HN 0.386 nan 8.370 nan 0.000 0.429 931 K N 1.605 121.876 120.400 -0.216 0.000 2.323 931 K HA 0.460 4.779 4.320 -0.001 0.000 0.259 931 K C -0.948 175.550 176.600 -0.170 0.000 0.947 931 K CA -0.646 55.634 56.287 -0.011 0.000 0.819 931 K CB 1.482 33.944 32.500 -0.062 0.000 1.109 931 K HN 0.223 nan 8.250 nan 0.000 0.429 932 F N 2.611 122.734 119.950 0.288 0.000 2.520 932 F HA 0.488 5.014 4.527 -0.001 0.000 0.322 932 F C 0.065 176.141 175.800 0.460 0.000 1.103 932 F CA -0.947 57.220 58.000 0.279 0.000 0.926 932 F CB 1.232 40.227 39.000 -0.007 0.000 1.154 932 F HN 0.206 nan 8.300 nan 0.000 0.453 933 I N 3.500 124.442 120.570 0.620 0.000 2.339 933 I HA 0.214 4.384 4.170 -0.001 0.000 0.290 933 I C -0.522 175.878 176.117 0.473 0.000 0.994 933 I CA -0.828 60.770 61.300 0.497 0.000 1.191 933 I CB 1.171 39.365 38.000 0.322 0.000 1.343 933 I HN 0.439 nan 8.210 nan 0.000 0.458 934 F N 5.848 125.972 119.950 0.291 0.000 2.578 934 F HA 0.203 4.730 4.527 -0.001 0.000 0.381 934 F C 1.143 176.881 175.800 -0.103 0.000 1.069 934 F CA 0.000 57.897 58.000 -0.173 0.000 1.231 934 F CB 1.139 40.065 39.000 -0.125 0.000 1.086 934 F HN 0.583 nan 8.300 nan 0.000 0.564 935 A N 4.468 126.662 122.820 -1.043 0.000 2.195 935 A HA 0.163 4.483 4.320 -0.001 0.000 0.210 935 A C 0.701 177.981 177.584 -0.506 0.000 1.165 935 A CA 0.239 51.927 52.037 -0.582 0.000 0.806 935 A CB -0.315 18.361 19.000 -0.540 0.000 0.847 935 A HN 0.793 nan 8.150 nan 0.000 0.482 936 E N -1.044 118.698 120.200 -0.764 0.000 2.405 936 E HA 0.246 4.596 4.350 -0.001 0.000 0.249 936 E C 0.075 176.761 176.600 0.143 0.000 1.028 936 E CA -0.939 55.336 56.400 -0.208 0.000 0.897 936 E CB 0.444 30.093 29.700 -0.086 0.000 1.262 936 E HN 0.092 nan 8.360 nan 0.000 0.442 937 N N 0.567 119.386 118.700 0.197 0.000 2.171 937 N HA -0.070 4.670 4.740 -0.001 0.000 0.184 937 N C -0.356 175.325 175.510 0.286 0.000 1.021 937 N CA 1.084 54.263 53.050 0.216 0.000 0.854 937 N CB 0.266 38.833 38.487 0.135 0.000 0.994 937 N HN 0.386 nan 8.380 nan 0.000 0.426 938 E N -0.675 119.722 120.200 0.328 0.000 2.263 938 E HA 0.098 4.448 4.350 -0.001 0.000 0.268 938 E C -1.531 175.157 176.600 0.147 0.000 0.884 938 E CA -0.640 55.871 56.400 0.185 0.000 0.766 938 E CB 1.342 31.100 29.700 0.097 0.000 1.196 938 E HN 0.037 nan 8.360 nan 0.000 0.416 939 W N 7.891 128.849 121.300 -0.570 0.000 2.295 939 W HA 0.408 5.068 4.660 -0.001 0.000 0.333 939 W C -1.362 174.921 176.519 -0.393 0.000 0.990 939 W CA -1.277 55.532 57.345 -0.893 0.000 1.453 939 W CB -0.179 28.202 29.460 -1.799 0.000 1.263 939 W HN 0.424 nan 8.180 nan 0.000 0.380 940 I N 6.245 126.888 120.570 0.121 0.000 2.496 940 I HA 0.284 4.454 4.170 -0.001 0.000 0.285 940 I C 1.501 177.604 176.117 -0.024 0.000 1.080 940 I CA 0.983 62.290 61.300 0.011 0.000 1.404 940 I CB 0.697 38.738 38.000 0.069 0.000 1.403 940 I HN 0.798 nan 8.210 nan 0.000 0.539 941 G N 4.313 113.015 108.800 -0.163 0.000 2.143 941 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.249 941 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.249 941 G C 0.469 175.144 174.900 -0.374 0.000 0.981 941 G CA -0.071 44.920 45.100 -0.182 0.000 0.665 941 G HN 1.020 nan 8.290 nan 0.000 0.528 942 A N -0.388 121.937 122.820 -0.825 0.000 2.565 942 A HA 0.494 4.814 4.320 -0.001 0.000 0.237 942 A C 0.628 177.821 177.584 -0.651 0.000 1.053 942 A CA 1.032 52.253 52.037 -1.360 0.000 0.755 942 A CB 0.180 18.001 19.000 -1.965 0.000 0.980 942 A HN 0.683 nan 8.150 nan 0.000 0.506 943 Q N 0.911 120.418 119.800 -0.488 0.000 2.351 943 Q HA 0.525 4.864 4.340 -0.001 0.000 0.273 943 Q C 1.206 177.103 176.000 -0.171 0.000 1.077 943 Q CA -0.252 55.408 55.803 -0.238 0.000 0.843 943 Q CB 1.799 30.460 28.738 -0.128 0.000 1.367 943 Q HN 0.790 nan 8.270 nan 0.000 0.449 944 G N 0.128 108.858 108.800 -0.116 0.000 2.511 944 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.217 944 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.217 944 G C 0.212 175.085 174.900 -0.045 0.000 1.133 944 G CA 0.633 45.677 45.100 -0.094 0.000 0.792 944 G HN 0.450 nan 8.290 nan 0.000 0.539 945 Q N -1.598 118.193 119.800 -0.015 0.000 2.545 945 Q HA 0.488 4.827 4.340 -0.001 0.000 0.273 945 Q C -2.402 173.615 176.000 0.029 0.000 0.975 945 Q CA -0.894 54.912 55.803 0.004 0.000 0.876 945 Q CB 1.970 30.694 28.738 -0.023 0.000 1.472 945 Q HN 0.068 nan 8.270 nan 0.000 0.389 946 F N 1.511 121.362 119.950 -0.165 0.000 2.569 946 F HA 0.653 5.179 4.527 -0.001 0.000 0.312 946 F C 0.521 176.062 175.800 -0.432 0.000 1.109 946 F CA 0.505 58.341 58.000 -0.275 0.000 0.919 946 F CB 2.060 40.908 39.000 -0.253 0.000 1.211 946 F HN 0.672 nan 8.300 nan 0.000 0.446 947 G N 3.087 110.919 108.800 -1.612 0.000 2.141 947 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.231 947 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.231 947 G C 1.042 175.241 174.900 -1.167 0.000 0.984 947 G CA 0.231 44.064 45.100 -2.112 0.000 0.660 947 G HN 1.569 nan 8.290 nan 0.000 0.525 948 G N 1.180 109.594 108.800 -0.644 0.000 2.479 948 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.220 948 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.220 948 G C 1.241 176.065 174.900 -0.126 0.000 1.115 948 G CA 1.817 46.768 45.100 -0.248 0.000 0.757 948 G HN 0.856 nan 8.290 nan 0.000 0.560 949 D N -0.799 119.447 120.400 -0.257 0.000 2.349 949 D HA 0.015 4.654 4.640 -0.001 0.000 0.214 949 D C 0.358 176.645 176.300 -0.022 0.000 1.063 949 D CA -0.474 53.468 54.000 -0.097 0.000 0.847 949 D CB -0.904 39.845 40.800 -0.085 0.000 0.933 949 D HN 0.466 nan 8.370 nan 0.000 0.513 950 H N 1.306 120.259 119.070 -0.196 0.000 2.886 950 H HA 0.219 4.774 4.556 -0.001 0.000 0.329 950 H C -1.968 173.325 175.328 -0.059 0.000 1.044 950 H CA -1.793 54.167 56.048 -0.147 0.000 1.456 950 H CB 0.572 30.200 29.762 -0.223 0.000 1.464 950 H HN 0.025 nan 8.280 nan 0.000 0.573 951 P HA -0.061 nan 4.420 nan 0.000 0.268 951 P C -0.485 176.886 177.300 0.118 0.000 1.204 951 P CA 0.061 63.224 63.100 0.105 0.000 0.768 951 P CB 0.754 32.495 31.700 0.069 0.000 0.842 952 S N 2.421 118.225 115.700 0.173 0.000 2.464 952 S HA 0.561 5.031 4.470 -0.001 0.000 0.313 952 S C 0.092 174.809 174.600 0.195 0.000 1.078 952 S CA -0.586 57.751 58.200 0.228 0.000 1.096 952 S CB -0.726 62.724 63.200 0.417 0.000 1.032 952 S HN 0.503 nan 8.310 nan 0.000 0.498 953 A N 4.358 127.287 122.820 0.182 0.000 2.332 953 A HA 0.523 4.843 4.320 -0.001 0.000 0.258 953 A C 0.519 178.181 177.584 0.130 0.000 1.087 953 A CA -0.597 51.525 52.037 0.141 0.000 0.802 953 A CB 0.193 19.272 19.000 0.132 0.000 1.042 953 A HN 0.911 nan 8.150 nan 0.000 0.489 954 R N 0.148 120.693 120.500 0.075 0.000 2.566 954 R HA -0.054 4.286 4.340 -0.001 0.000 0.273 954 R C 1.486 177.806 176.300 0.034 0.000 0.981 954 R CA 1.039 57.157 56.100 0.031 0.000 1.091 954 R CB 0.309 30.610 30.300 0.002 0.000 0.924 954 R HN 0.923 nan 8.270 nan 0.000 0.411 955 E N 2.228 122.407 120.200 -0.035 0.000 2.209 955 E HA -0.262 4.087 4.350 -0.001 0.000 0.196 955 E C 0.352 176.994 176.600 0.069 0.000 0.993 955 E CA 1.694 58.053 56.400 -0.069 0.000 0.819 955 E CB -0.090 29.541 29.700 -0.115 0.000 0.745 955 E HN 0.799 nan 8.360 nan 0.000 0.477 956 D N 0.611 121.005 120.400 -0.009 0.000 2.355 956 D HA -0.026 4.613 4.640 -0.001 0.000 0.218 956 D C 0.448 176.750 176.300 0.003 0.000 1.004 956 D CA -0.016 53.928 54.000 -0.093 0.000 0.880 956 D CB -0.082 40.609 40.800 -0.183 0.000 0.911 956 D HN 0.204 nan 8.370 nan 0.000 0.528 957 L N 0.737 122.014 121.223 0.090 0.000 2.307 957 L HA 0.489 4.828 4.340 -0.001 0.000 0.282 957 L C -1.076 175.933 176.870 0.231 0.000 1.051 957 L CA -0.412 54.501 54.840 0.123 0.000 0.804 957 L CB 1.627 43.743 42.059 0.095 0.000 1.197 957 L HN -0.223 nan 8.230 nan 0.000 0.431 958 D N 2.465 123.021 120.400 0.260 0.000 2.619 958 D HA 0.337 4.977 4.640 -0.001 0.000 0.241 958 D C -1.234 175.233 176.300 0.278 0.000 1.087 958 D CA -0.279 53.896 54.000 0.291 0.000 0.851 958 D CB 2.372 43.391 40.800 0.364 0.000 1.474 958 D HN 0.230 nan 8.370 nan 0.000 0.478 959 V N 3.632 123.686 119.914 0.233 0.000 2.267 959 V HA 0.102 4.221 4.120 -0.001 0.000 0.254 959 V C 1.366 177.597 176.094 0.228 0.000 1.144 959 V CA 0.034 62.481 62.300 0.247 0.000 0.992 959 V CB 0.293 32.251 31.823 0.225 0.000 1.199 959 V HN 0.580 nan 8.190 nan 0.000 0.493 960 S N 3.024 118.887 115.700 0.272 0.000 2.382 960 S HA -0.027 4.442 4.470 -0.001 0.000 0.228 960 S C 0.667 175.324 174.600 0.096 0.000 1.027 960 S CA 0.892 59.206 58.200 0.191 0.000 0.991 960 S CB 0.136 63.509 63.200 0.287 0.000 0.823 960 S HN 0.508 nan 8.310 nan 0.000 0.469 961 V N 1.377 121.385 119.914 0.156 0.000 2.733 961 V HA 0.510 4.630 4.120 -0.001 0.000 0.306 961 V C -0.815 175.336 176.094 0.095 0.000 1.084 961 V CA -0.533 61.832 62.300 0.109 0.000 0.905 961 V CB 1.929 33.844 31.823 0.153 0.000 1.010 961 V HN 0.356 nan 8.190 nan 0.000 0.424 962 M N 5.613 125.185 119.600 -0.048 0.000 2.151 962 M HA 0.672 5.152 4.480 -0.001 0.000 0.290 962 M C -1.100 175.012 176.300 -0.313 0.000 0.965 962 M CA -0.498 54.628 55.300 -0.289 0.000 0.930 962 M CB 1.472 33.897 32.600 -0.292 0.000 1.560 962 M HN 0.770 nan 8.290 nan 0.000 0.438 963 R N 4.033 124.289 120.500 -0.408 0.000 2.515 963 R HA 0.444 4.784 4.340 -0.001 0.000 0.291 963 R C -1.418 174.654 176.300 -0.379 0.000 1.046 963 R CA -0.694 55.224 56.100 -0.303 0.000 0.914 963 R CB 1.928 32.135 30.300 -0.155 0.000 1.191 963 R HN 0.889 nan 8.270 nan 0.000 0.435 964 R N 4.567 124.901 120.500 -0.277 0.000 2.347 964 R HA 0.150 4.490 4.340 -0.001 0.000 0.304 964 R C 0.221 176.414 176.300 -0.178 0.000 1.072 964 R CA 0.046 56.011 56.100 -0.224 0.000 0.980 964 R CB 0.612 30.834 30.300 -0.129 0.000 0.986 964 R HN 0.708 nan 8.270 nan 0.000 0.448 965 L N 2.979 124.091 121.223 -0.185 0.000 2.590 965 L HA 0.144 4.484 4.340 -0.001 0.000 0.227 965 L C 0.423 177.245 176.870 -0.080 0.000 1.099 965 L CA 0.036 54.789 54.840 -0.145 0.000 0.872 965 L CB 0.374 42.316 42.059 -0.195 0.000 1.088 965 L HN 0.701 nan 8.230 nan 0.000 0.479 966 T N -2.688 111.829 114.554 -0.062 0.000 2.885 966 T HA 0.443 4.793 4.350 -0.001 0.000 0.285 966 T C -0.175 174.518 174.700 -0.011 0.000 1.019 966 T CA -0.935 61.146 62.100 -0.031 0.000 1.010 966 T CB 2.351 71.207 68.868 -0.020 0.000 1.022 966 T HN -0.084 nan 8.240 nan 0.000 0.466 967 K N 0.942 121.341 120.400 -0.001 0.000 2.117 967 K HA 0.307 4.627 4.320 -0.001 0.000 0.240 967 K C 1.669 178.284 176.600 0.025 0.000 1.031 967 K CA -0.228 56.070 56.287 0.017 0.000 0.909 967 K CB 0.586 33.095 32.500 0.015 0.000 1.097 967 K HN 0.810 nan 8.250 nan 0.000 0.492 968 S N -0.607 115.117 115.700 0.040 0.000 2.447 968 S HA -0.143 4.327 4.470 -0.001 0.000 0.233 968 S C 1.803 176.420 174.600 0.028 0.000 1.006 968 S CA 1.456 59.680 58.200 0.039 0.000 0.957 968 S CB -0.342 62.888 63.200 0.050 0.000 0.773 968 S HN 0.633 nan 8.310 nan 0.000 0.507 969 S N 1.500 117.215 115.700 0.024 0.000 2.522 969 S HA 0.432 4.902 4.470 -0.001 0.000 0.227 969 S C 0.799 175.407 174.600 0.014 0.000 0.986 969 S CA 0.048 58.260 58.200 0.020 0.000 0.929 969 S CB -0.609 62.603 63.200 0.019 0.000 0.769 969 S HN 0.773 nan 8.310 nan 0.000 0.529 970 A N 1.935 124.762 122.820 0.011 0.000 2.451 970 A HA 0.379 4.699 4.320 -0.001 0.000 0.266 970 A C 1.250 178.841 177.584 0.012 0.000 1.119 970 A CA -0.415 51.627 52.037 0.007 0.000 0.786 970 A CB 0.201 19.201 19.000 0.001 0.000 1.061 970 A HN 0.463 nan 8.150 nan 0.000 0.503 971 K N 1.899 122.305 120.400 0.010 0.000 2.044 971 K HA -0.117 4.203 4.320 -0.001 0.000 0.210 971 K C 0.176 176.787 176.600 0.018 0.000 1.049 971 K CA 1.815 58.110 56.287 0.013 0.000 0.927 971 K CB -0.085 32.421 32.500 0.009 0.000 0.713 971 K HN 0.645 nan 8.250 nan 0.000 0.443 972 T N 2.402 116.964 114.554 0.013 0.000 2.753 972 T HA 0.166 4.516 4.350 -0.001 0.000 0.297 972 T C -0.834 173.881 174.700 0.025 0.000 0.981 972 T CA -0.635 61.476 62.100 0.018 0.000 0.956 972 T CB 1.398 70.267 68.868 0.002 0.000 0.936 972 T HN 0.101 nan 8.240 nan 0.000 0.463 973 Q N 2.844 122.677 119.800 0.054 0.000 2.327 973 Q HA 0.378 4.718 4.340 -0.001 0.000 0.254 973 Q C 0.072 176.126 176.000 0.089 0.000 0.952 973 Q CA 0.132 55.972 55.803 0.062 0.000 0.884 973 Q CB 1.166 29.946 28.738 0.071 0.000 1.224 973 Q HN 0.558 nan 8.270 nan 0.000 0.422 974 R N 0.478 121.000 120.500 0.037 0.000 2.575 974 R HA 0.609 4.948 4.340 -0.001 0.000 0.293 974 R C -1.072 175.187 176.300 -0.068 0.000 0.983 974 R CA -0.653 55.453 56.100 0.011 0.000 0.887 974 R CB 1.726 32.000 30.300 -0.042 0.000 1.184 974 R HN 0.234 nan 8.270 nan 0.000 0.445 975 V N 1.717 121.591 119.914 -0.066 0.000 2.487 975 V HA 0.560 4.679 4.120 -0.001 0.000 0.298 975 V C 0.366 176.198 176.094 -0.437 0.000 1.028 975 V CA -0.841 61.291 62.300 -0.280 0.000 0.860 975 V CB 1.916 33.571 31.823 -0.279 0.000 0.991 975 V HN 0.941 nan 8.190 nan 0.000 0.427 976 G N 3.298 111.639 108.800 -0.766 0.000 2.356 976 G HA2 0.601 4.561 3.960 -0.001 0.000 0.298 976 G HA3 0.601 4.561 3.960 -0.001 0.000 0.298 976 G C -1.476 172.981 174.900 -0.738 0.000 1.145 976 G CA -0.195 44.246 45.100 -1.098 0.000 0.850 976 G HN 0.526 nan 8.290 nan 0.000 0.487 977 Y N 0.761 121.097 120.300 0.059 0.000 2.391 977 Y HA 0.436 4.986 4.550 -0.001 0.000 0.341 977 Y C -0.026 176.138 175.900 0.441 0.000 0.965 977 Y CA -0.901 57.353 58.100 0.258 0.000 1.067 977 Y CB 2.580 41.167 38.460 0.213 0.000 1.199 977 Y HN 0.338 nan 8.280 nan 0.000 0.450 978 V N 5.164 125.379 119.914 0.501 0.000 2.394 978 V HA 0.353 4.472 4.120 -0.001 0.000 0.282 978 V C -0.336 175.986 176.094 0.379 0.000 1.031 978 V CA -0.756 61.764 62.300 0.366 0.000 0.881 978 V CB 1.499 33.492 31.823 0.284 0.000 0.982 978 V HN 0.639 nan 8.190 nan 0.000 0.451 979 L N 4.763 126.193 121.223 0.344 0.000 2.325 979 L HA 0.588 4.928 4.340 -0.001 0.000 0.281 979 L C -0.990 176.078 176.870 0.330 0.000 1.004 979 L CA -0.544 54.496 54.840 0.334 0.000 0.823 979 L CB 1.602 43.864 42.059 0.339 0.000 1.236 979 L HN 0.808 nan 8.230 nan 0.000 0.415 980 H N 4.319 123.543 119.070 0.255 0.000 2.529 980 H HA 0.441 4.996 4.556 -0.001 0.000 0.348 980 H C -1.038 174.379 175.328 0.149 0.000 1.079 980 H CA -0.562 55.606 56.048 0.200 0.000 1.198 980 H CB 1.490 31.435 29.762 0.305 0.000 1.521 980 H HN 0.477 nan 8.280 nan 0.000 0.514 981 R N 4.199 124.360 120.500 -0.565 0.000 2.343 981 R HA 0.282 4.622 4.340 -0.001 0.000 0.320 981 R C -0.248 175.639 176.300 -0.689 0.000 0.956 981 R CA -0.471 55.367 56.100 -0.437 0.000 0.836 981 R CB 1.298 31.462 30.300 -0.226 0.000 1.151 981 R HN 0.782 nan 8.270 nan 0.000 0.450 982 T N 1.532 115.855 114.554 -0.386 0.000 2.793 982 T HA 0.149 4.498 4.350 -0.001 0.000 0.299 982 T C -0.435 174.105 174.700 -0.267 0.000 1.038 982 T CA -0.348 61.611 62.100 -0.235 0.000 0.948 982 T CB 0.514 69.322 68.868 -0.100 0.000 1.231 982 T HN 0.686 nan 8.240 nan 0.000 0.538 983 N N 0.339 118.910 118.700 -0.216 0.000 2.410 983 N HA 0.488 5.228 4.740 -0.001 0.000 0.287 983 N C -1.572 173.799 175.510 -0.232 0.000 1.044 983 N CA -0.516 52.354 53.050 -0.299 0.000 0.881 983 N CB 0.795 38.967 38.487 -0.526 0.000 1.405 983 N HN 0.487 nan 8.380 nan 0.000 0.490 984 L N 2.679 123.752 121.223 -0.250 0.000 2.334 984 L HA 0.548 4.887 4.340 -0.001 0.000 0.276 984 L C 0.365 177.114 176.870 -0.202 0.000 1.014 984 L CA -0.992 53.730 54.840 -0.195 0.000 0.815 984 L CB 1.750 43.699 42.059 -0.184 0.000 1.268 984 L HN 0.409 nan 8.230 nan 0.000 0.428 985 M N 2.503 122.002 119.600 -0.169 0.000 2.248 985 M HA 0.065 4.545 4.480 -0.001 0.000 0.345 985 M C -0.167 176.046 176.300 -0.146 0.000 1.243 985 M CA 0.036 55.237 55.300 -0.165 0.000 1.090 985 M CB 0.336 32.843 32.600 -0.155 0.000 1.683 985 M HN 0.455 nan 8.290 nan 0.000 0.450 986 Q N 2.445 122.162 119.800 -0.139 0.000 2.323 986 Q HA 0.159 4.499 4.340 -0.001 0.000 0.257 986 Q C -0.111 175.829 176.000 -0.099 0.000 1.022 986 Q CA 0.138 55.873 55.803 -0.114 0.000 0.919 986 Q CB 0.863 29.536 28.738 -0.108 0.000 1.220 986 Q HN 0.823 nan 8.270 nan 0.000 0.427 987 c N 0.633 119.178 118.600 -0.092 0.000 3.386 987 c HA 0.357 4.926 4.570 -0.001 0.000 0.279 987 c C 1.298 175.347 174.090 -0.069 0.000 1.508 987 c CA 0.100 56.380 56.329 -0.082 0.000 1.801 987 c CB -0.181 42.275 42.510 -0.091 0.000 2.798 987 c HN 1.026 nan 8.230 nan 0.000 0.605 988 G N 1.152 109.912 108.800 -0.067 0.000 2.176 988 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.232 988 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.232 988 G C 0.036 174.902 174.900 -0.057 0.000 0.986 988 G CA 0.299 45.365 45.100 -0.057 0.000 0.643 988 G HN 0.421 nan 8.290 nan 0.000 0.522 989 T N 3.294 117.811 114.554 -0.063 0.000 2.723 989 T HA 0.501 4.850 4.350 -0.001 0.000 0.297 989 T C -1.537 173.121 174.700 -0.071 0.000 0.925 989 T CA -0.486 61.577 62.100 -0.062 0.000 1.030 989 T CB 1.447 70.279 68.868 -0.061 0.000 0.905 989 T HN 0.214 nan 8.240 nan 0.000 0.502 990 P HA 0.090 nan 4.420 nan 0.000 0.267 990 P C 0.077 177.311 177.300 -0.109 0.000 1.200 990 P CA -0.431 62.616 63.100 -0.088 0.000 0.772 990 P CB 0.452 32.100 31.700 -0.086 0.000 0.855 991 E N 1.823 121.947 120.200 -0.128 0.000 2.259 991 E HA 0.093 4.443 4.350 -0.001 0.000 0.281 991 E C -0.587 175.880 176.600 -0.222 0.000 1.037 991 E CA -0.756 55.561 56.400 -0.139 0.000 0.854 991 E CB 0.463 30.094 29.700 -0.116 0.000 1.051 991 E HN 0.444 nan 8.360 nan 0.000 0.409 992 E N 3.261 123.350 120.200 -0.186 0.000 2.465 992 E HA -0.037 4.313 4.350 -0.001 0.000 0.260 992 E C -0.825 175.642 176.600 -0.221 0.000 0.980 992 E CA -0.146 56.114 56.400 -0.234 0.000 0.927 992 E CB -0.203 29.466 29.700 -0.051 0.000 0.934 992 E HN 0.523 nan 8.360 nan 0.000 0.459 993 H N 1.599 120.663 119.070 -0.011 0.000 3.012 993 H HA -0.128 4.427 4.556 -0.000 0.000 0.227 993 H C 0.115 175.450 175.328 0.012 0.000 0.720 993 H CA 1.146 57.192 56.048 -0.003 0.000 1.490 993 H CB -0.825 28.932 29.762 -0.008 0.000 1.343 993 H HN 0.715 nan 8.280 nan 0.000 0.455 994 T N 0.475 115.088 114.554 0.098 0.000 2.901 994 T HA 0.499 4.849 4.350 -0.001 0.000 0.293 994 T C -0.318 174.429 174.700 0.078 0.000 1.084 994 T CA -1.374 60.780 62.100 0.090 0.000 1.008 994 T CB 2.189 71.095 68.868 0.063 0.000 1.170 994 T HN 0.583 nan 8.240 nan 0.000 0.509 995 Q N 0.887 120.738 119.800 0.086 0.000 2.230 995 Q HA 0.405 4.744 4.340 -0.001 0.000 0.253 995 Q C -0.339 175.690 176.000 0.048 0.000 0.919 995 Q CA -0.908 54.934 55.803 0.065 0.000 0.908 995 Q CB 1.731 30.517 28.738 0.078 0.000 1.245 995 Q HN 0.615 nan 8.270 nan 0.000 0.437 996 K N 2.041 122.456 120.400 0.025 0.000 2.472 996 K HA 0.006 4.325 4.320 -0.001 0.000 0.280 996 K C -0.940 175.664 176.600 0.008 0.000 1.028 996 K CA -0.141 56.151 56.287 0.009 0.000 1.045 996 K CB 0.298 32.793 32.500 -0.009 0.000 0.902 996 K HN 0.408 nan 8.250 nan 0.000 0.478 997 L N 5.117 126.343 121.223 0.006 0.000 2.257 997 L HA 0.233 4.572 4.340 -0.001 0.000 0.290 997 L C -1.013 175.824 176.870 -0.054 0.000 1.044 997 L CA -0.032 54.803 54.840 -0.007 0.000 0.810 997 L CB 1.111 43.180 42.059 0.016 0.000 1.193 997 L HN 0.577 nan 8.230 nan 0.000 0.425 998 D N 3.535 123.893 120.400 -0.069 0.000 2.460 998 D HA 0.150 4.790 4.640 -0.001 0.000 0.232 998 D C 1.125 177.324 176.300 -0.169 0.000 1.079 998 D CA -0.279 53.654 54.000 -0.112 0.000 0.864 998 D CB 1.212 41.987 40.800 -0.043 0.000 1.048 998 D HN 0.372 nan 8.370 nan 0.000 0.523 999 V N 1.611 121.329 119.914 -0.326 0.000 2.469 999 V HA -0.222 3.898 4.120 -0.001 0.000 0.251 999 V C 2.124 177.874 176.094 -0.573 0.000 1.064 999 V CA 1.239 63.164 62.300 -0.625 0.000 1.066 999 V CB -1.122 30.103 31.823 -0.997 0.000 0.667 999 V HN 0.629 nan 8.190 nan 0.000 0.461 1000 c N 0.470 118.870 118.600 -0.333 0.000 2.437 1000 c HA -0.002 4.568 4.570 -0.001 0.000 0.283 1000 c C 2.148 176.109 174.090 -0.216 0.000 1.424 1000 c CA 1.332 57.532 56.329 -0.214 0.000 1.782 1000 c CB -1.797 40.575 42.510 -0.229 0.000 1.833 1000 c HN 0.770 nan 8.230 nan 0.000 0.532 1001 H N -0.956 118.077 119.070 -0.062 0.000 2.542 1001 H HA 0.264 4.819 4.556 -0.001 0.000 0.283 1001 H C 1.705 177.055 175.328 0.037 0.000 1.059 1001 H CA -0.047 56.007 56.048 0.010 0.000 1.162 1001 H CB 0.072 29.824 29.762 -0.017 0.000 1.539 1001 H HN 0.345 nan 8.280 nan 0.000 0.543 1002 L N -0.108 121.162 121.223 0.078 0.000 2.141 1002 L HA -0.022 4.318 4.340 -0.001 0.000 0.209 1002 L C 0.134 177.140 176.870 0.227 0.000 1.094 1002 L CA 0.903 55.821 54.840 0.130 0.000 0.763 1002 L CB 0.092 42.196 42.059 0.074 0.000 0.908 1002 L HN 0.202 nan 8.230 nan 0.000 0.437 1003 L N -0.005 121.317 121.223 0.166 0.000 2.331 1003 L HA 0.388 4.728 4.340 -0.001 0.000 0.275 1003 L C -2.084 174.834 176.870 0.081 0.000 1.022 1003 L CA -2.019 52.853 54.840 0.054 0.000 0.812 1003 L CB 1.291 43.175 42.059 -0.291 0.000 1.257 1003 L HN -0.196 nan 8.230 nan 0.000 0.435 1004 P HA 0.103 nan 4.420 nan 0.000 0.274 1004 P C -0.870 176.543 177.300 0.188 0.000 1.246 1004 P CA -0.235 62.932 63.100 0.113 0.000 0.795 1004 P CB 0.368 32.112 31.700 0.074 0.000 1.006 1005 N N -2.850 115.948 118.700 0.164 0.000 2.756 1005 N HA -0.145 4.595 4.740 -0.001 0.000 0.248 1005 N C -0.088 175.518 175.510 0.160 0.000 1.062 1005 N CA 0.082 53.220 53.050 0.147 0.000 0.696 1005 N CB -1.923 36.638 38.487 0.123 0.000 0.946 1005 N HN 0.251 nan 8.380 nan 0.000 0.548 1006 V N 0.080 120.038 119.914 0.073 0.000 2.572 1006 V HA 0.436 4.555 4.120 -0.001 0.000 0.291 1006 V C 1.184 177.182 176.094 -0.160 0.000 1.039 1006 V CA 1.019 63.190 62.300 -0.215 0.000 1.055 1006 V CB 1.217 32.813 31.823 -0.380 0.000 0.969 1006 V HN 0.461 nan 8.190 nan 0.000 0.482 1007 A N 7.053 129.755 122.820 -0.197 0.000 2.259 1007 A HA 0.476 4.796 4.320 -0.001 0.000 0.213 1007 A C 0.952 178.495 177.584 -0.069 0.000 1.209 1007 A CA -0.014 51.969 52.037 -0.090 0.000 0.910 1007 A CB 0.247 19.213 19.000 -0.057 0.000 0.946 1007 A HN 0.747 nan 8.150 nan 0.000 0.497 1008 R N -1.604 118.821 120.500 -0.125 0.000 2.604 1008 R HA 0.458 4.797 4.340 -0.001 0.000 0.261 1008 R C -2.329 173.919 176.300 -0.088 0.000 1.080 1008 R CA -0.357 55.724 56.100 -0.032 0.000 0.917 1008 R CB 1.463 31.780 30.300 0.029 0.000 1.252 1008 R HN 0.259 nan 8.270 nan 0.000 0.456 1009 c N 2.986 121.562 118.600 -0.039 0.000 2.364 1009 c HA 0.621 5.191 4.570 -0.001 0.000 0.324 1009 c C -0.960 173.176 174.090 0.077 0.000 1.234 1009 c CA -0.292 56.023 56.329 -0.023 0.000 1.417 1009 c CB 1.262 43.715 42.510 -0.095 0.000 2.101 1009 c HN 0.939 nan 8.230 nan 0.000 0.466 1010 E N 3.369 123.660 120.200 0.151 0.000 2.234 1010 E HA 0.485 4.835 4.350 -0.001 0.000 0.266 1010 E C -0.607 176.153 176.600 0.268 0.000 0.877 1010 E CA -0.386 56.132 56.400 0.197 0.000 0.758 1010 E CB 1.107 30.904 29.700 0.161 0.000 1.170 1010 E HN 0.742 nan 8.360 nan 0.000 0.415 1011 R N 2.446 123.094 120.500 0.246 0.000 2.340 1011 R HA 0.427 4.766 4.340 -0.001 0.000 0.300 1011 R C -0.556 175.790 176.300 0.077 0.000 1.069 1011 R CA 0.107 56.304 56.100 0.161 0.000 0.984 1011 R CB 0.585 30.962 30.300 0.128 0.000 1.003 1011 R HN 0.756 nan 8.270 nan 0.000 0.459 1012 T N -0.201 114.373 114.554 0.033 0.000 2.907 1012 T HA 0.353 4.703 4.350 -0.001 0.000 0.290 1012 T C 0.141 174.830 174.700 -0.018 0.000 1.066 1012 T CA -0.790 61.342 62.100 0.055 0.000 1.012 1012 T CB 1.420 70.389 68.868 0.168 0.000 1.184 1012 T HN 0.608 nan 8.240 nan 0.000 0.522 1013 T N 0.284 114.827 114.554 -0.017 0.000 2.795 1013 T HA 0.202 4.552 4.350 -0.001 0.000 0.314 1013 T C 1.629 176.249 174.700 -0.133 0.000 1.069 1013 T CA -0.687 61.379 62.100 -0.057 0.000 1.071 1013 T CB -0.071 68.779 68.868 -0.029 0.000 0.988 1013 T HN 0.570 nan 8.240 nan 0.000 0.543 1014 L N 0.979 122.106 121.223 -0.160 0.000 2.362 1014 L HA -0.033 4.306 4.340 -0.001 0.000 0.219 1014 L C 2.806 179.374 176.870 -0.503 0.000 1.134 1014 L CA 1.351 56.029 54.840 -0.270 0.000 0.807 1014 L CB -1.097 40.890 42.059 -0.121 0.000 0.927 1014 L HN 0.974 nan 8.230 nan 0.000 0.447 1015 T N -4.961 109.396 114.554 -0.328 0.000 3.100 1015 T HA 0.018 4.367 4.350 -0.001 0.000 0.253 1015 T C 0.767 175.333 174.700 -0.223 0.000 1.118 1015 T CA -0.194 61.742 62.100 -0.272 0.000 1.058 1015 T CB -0.109 68.731 68.868 -0.046 0.000 0.953 1015 T HN 0.205 nan 8.240 nan 0.000 0.515 1016 F N -0.796 119.167 119.950 0.021 0.000 2.794 1016 F HA -0.202 4.325 4.527 -0.000 0.000 0.335 1016 F C 1.062 176.864 175.800 0.004 0.000 0.653 1016 F CA -0.063 57.943 58.000 0.011 0.000 1.266 1016 F CB -2.324 36.678 39.000 0.003 0.000 1.666 1016 F HN 0.234 nan 8.300 nan 0.000 0.314 1017 L N -0.943 120.349 121.223 0.116 0.000 2.446 1017 L HA 0.058 4.398 4.340 -0.001 0.000 0.219 1017 L C 1.147 178.041 176.870 0.040 0.000 1.116 1017 L CA 1.046 55.927 54.840 0.069 0.000 0.844 1017 L CB 0.042 42.125 42.059 0.040 0.000 0.970 1017 L HN 0.328 nan 8.230 nan 0.000 0.457 1018 Q N 0.543 120.367 119.800 0.039 0.000 2.285 1018 Q HA 0.260 4.599 4.340 -0.001 0.000 0.269 1018 Q C -1.154 174.867 176.000 0.035 0.000 1.030 1018 Q CA -0.688 55.127 55.803 0.021 0.000 0.788 1018 Q CB 1.836 30.572 28.738 -0.003 0.000 1.266 1018 Q HN 0.095 nan 8.270 nan 0.000 0.438 1019 N N 4.199 122.920 118.700 0.034 0.000 2.475 1019 N HA 0.148 4.888 4.740 -0.001 0.000 0.267 1019 N C 0.304 175.835 175.510 0.036 0.000 1.169 1019 N CA 0.340 53.418 53.050 0.047 0.000 0.947 1019 N CB 0.963 39.474 38.487 0.040 0.000 1.061 1019 N HN 0.632 nan 8.380 nan 0.000 0.466 1020 L N 0.617 121.867 121.223 0.046 0.000 2.609 1020 L HA 0.310 4.649 4.340 -0.001 0.000 0.230 1020 L C 0.501 177.402 176.870 0.053 0.000 1.064 1020 L CA 0.266 55.126 54.840 0.033 0.000 0.873 1020 L CB 0.401 42.468 42.059 0.014 0.000 1.139 1020 L HN 0.521 nan 8.230 nan 0.000 0.490 1021 E N -0.359 119.892 120.200 0.085 0.000 2.343 1021 E HA 0.140 4.490 4.350 -0.001 0.000 0.286 1021 E C -1.337 175.358 176.600 0.159 0.000 0.915 1021 E CA -0.620 55.844 56.400 0.107 0.000 0.784 1021 E CB 1.375 31.130 29.700 0.091 0.000 1.251 1021 E HN 0.049 nan 8.360 nan 0.000 0.407 1022 H N 4.679 123.774 119.070 0.042 0.000 2.742 1022 H HA 0.353 4.909 4.556 -0.001 0.000 0.302 1022 H C -0.964 174.386 175.328 0.037 0.000 1.069 1022 H CA 0.098 56.167 56.048 0.035 0.000 1.446 1022 H CB 0.446 30.220 29.762 0.020 0.000 1.462 1022 H HN 0.394 nan 8.280 nan 0.000 0.499 1023 L N 5.072 126.132 121.223 -0.271 0.000 2.275 1023 L HA 0.196 4.535 4.340 -0.001 0.000 0.288 1023 L C 0.005 176.712 176.870 -0.271 0.000 1.046 1023 L CA -0.951 53.780 54.840 -0.183 0.000 0.805 1023 L CB 0.986 43.006 42.059 -0.066 0.000 1.193 1023 L HN 0.664 nan 8.230 nan 0.000 0.426 1024 D N 2.881 123.181 120.400 -0.166 0.000 2.493 1024 D HA 0.162 4.802 4.640 -0.001 0.000 0.240 1024 D C 1.173 177.423 176.300 -0.085 0.000 1.142 1024 D CA 1.332 55.259 54.000 -0.122 0.000 0.872 1024 D CB 1.128 41.890 40.800 -0.064 0.000 1.173 1024 D HN 0.829 nan 8.370 nan 0.000 0.467 1025 G N 3.092 111.853 108.800 -0.066 0.000 2.168 1025 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.263 1025 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.263 1025 G C 0.780 175.703 174.900 0.038 0.000 0.977 1025 G CA 0.363 45.454 45.100 -0.014 0.000 0.659 1025 G HN 0.641 nan 8.290 nan 0.000 0.533 1026 M N -2.515 117.063 119.600 -0.037 0.000 2.576 1026 M HA -0.191 4.289 4.480 -0.001 0.000 0.200 1026 M C 0.078 176.385 176.300 0.011 0.000 0.487 1026 M CA 0.938 56.205 55.300 -0.055 0.000 0.553 1026 M CB -1.942 30.607 32.600 -0.085 0.000 2.042 1026 M HN 0.250 nan 8.290 nan 0.000 0.758 1027 V N 0.709 120.624 119.914 0.002 0.000 2.398 1027 V HA 0.730 4.849 4.120 -0.001 0.000 0.286 1027 V C 0.671 176.676 176.094 -0.148 0.000 1.026 1027 V CA -0.394 61.901 62.300 -0.008 0.000 0.868 1027 V CB 1.760 33.571 31.823 -0.021 0.000 0.982 1027 V HN 0.399 nan 8.190 nan 0.000 0.443 1028 A N 7.683 130.333 122.820 -0.284 0.000 2.354 1028 A HA 0.710 5.030 4.320 -0.001 0.000 0.281 1028 A C -2.381 174.960 177.584 -0.407 0.000 1.174 1028 A CA -1.317 50.338 52.037 -0.638 0.000 0.828 1028 A CB -0.008 18.280 19.000 -1.187 0.000 1.099 1028 A HN 0.654 nan 8.150 nan 0.000 0.516 1029 P HA 0.172 nan 4.420 nan 0.000 0.269 1029 P C -0.082 177.211 177.300 -0.011 0.000 1.215 1029 P CA -0.125 62.938 63.100 -0.062 0.000 0.780 1029 P CB 0.556 32.279 31.700 0.038 0.000 0.898 1030 E N -0.169 120.038 120.200 0.012 0.000 2.371 1030 E HA 0.266 4.616 4.350 -0.001 0.000 0.257 1030 E C 0.038 176.692 176.600 0.089 0.000 1.134 1030 E CA -0.823 55.611 56.400 0.057 0.000 0.919 1030 E CB 0.519 30.234 29.700 0.026 0.000 1.025 1030 E HN 0.279 nan 8.360 nan 0.000 0.438 1031 V N -1.526 118.443 119.914 0.092 0.000 3.096 1031 V HA 0.391 4.511 4.120 -0.001 0.000 0.319 1031 V C 0.111 176.209 176.094 0.007 0.000 1.082 1031 V CA -1.055 61.285 62.300 0.067 0.000 1.022 1031 V CB 1.288 33.155 31.823 0.072 0.000 1.103 1031 V HN 0.739 nan 8.190 nan 0.000 0.455 1032 c N 1.936 120.533 118.600 -0.005 0.000 2.500 1032 c HA 0.479 5.049 4.570 -0.001 0.000 0.367 1032 c C -2.158 171.876 174.090 -0.093 0.000 1.283 1032 c CA -0.412 55.895 56.329 -0.036 0.000 2.456 1032 c CB 0.125 42.630 42.510 -0.008 0.000 2.457 1032 c HN 0.832 nan 8.230 nan 0.000 0.632 1033 P HA 0.050 nan 4.420 nan 0.000 0.262 1033 P C 0.261 177.407 177.300 -0.258 0.000 1.182 1033 P CA 1.007 63.974 63.100 -0.222 0.000 0.761 1033 P CB 0.166 31.717 31.700 -0.249 0.000 0.795 1034 M N -1.127 118.270 119.600 -0.338 0.000 2.961 1034 M HA -0.168 4.312 4.480 -0.001 0.000 0.198 1034 M C -0.007 176.273 176.300 -0.035 0.000 0.610 1034 M CA 1.357 56.440 55.300 -0.362 0.000 0.755 1034 M CB -1.947 30.154 32.600 -0.831 0.000 2.707 1034 M HN 0.400 nan 8.290 nan 0.000 0.299 1035 E N 0.585 120.758 120.200 -0.044 0.000 2.250 1035 E HA 0.720 5.070 4.350 -0.001 0.000 0.265 1035 E C 0.019 176.673 176.600 0.090 0.000 1.033 1035 E CA -0.013 56.448 56.400 0.102 0.000 0.888 1035 E CB 1.379 31.113 29.700 0.055 0.000 1.151 1035 E HN 0.172 nan 8.360 nan 0.000 0.412 1036 T N 0.373 115.003 114.554 0.126 0.000 2.971 1036 T HA 0.660 5.010 4.350 -0.001 0.000 0.304 1036 T C -1.012 173.695 174.700 0.012 0.000 1.038 1036 T CA -0.673 61.509 62.100 0.136 0.000 1.007 1036 T CB 1.607 70.578 68.868 0.172 0.000 1.055 1036 T HN 0.503 nan 8.240 nan 0.000 0.451 1037 A N 1.875 124.697 122.820 0.004 0.000 2.454 1037 A HA 0.990 5.310 4.320 -0.001 0.000 0.302 1037 A C -0.914 176.543 177.584 -0.211 0.000 1.079 1037 A CA -0.917 51.019 52.037 -0.169 0.000 0.731 1037 A CB 1.527 20.380 19.000 -0.246 0.000 1.299 1037 A HN 1.133 nan 8.150 nan 0.000 0.413 1038 A N 0.583 123.205 122.820 -0.329 0.000 2.365 1038 A HA 0.823 5.143 4.320 -0.001 0.000 0.318 1038 A C -1.538 175.870 177.584 -0.293 0.000 1.091 1038 A CA -0.350 51.611 52.037 -0.126 0.000 0.763 1038 A CB 0.689 19.663 19.000 -0.043 0.000 1.248 1038 A HN 0.831 nan 8.150 nan 0.000 0.442 1039 Y N 0.170 120.684 120.300 0.358 0.000 2.512 1039 Y HA 0.568 5.118 4.550 -0.001 0.000 0.348 1039 Y C -0.241 175.820 175.900 0.268 0.000 0.990 1039 Y CA -0.956 57.301 58.100 0.261 0.000 1.033 1039 Y CB 2.438 41.003 38.460 0.176 0.000 1.259 1039 Y HN 0.394 nan 8.280 nan 0.000 0.461 1040 V N 2.437 122.540 119.914 0.315 0.000 2.444 1040 V HA 0.463 4.583 4.120 -0.001 0.000 0.294 1040 V C -0.608 175.560 176.094 0.124 0.000 1.022 1040 V CA -0.960 61.421 62.300 0.136 0.000 0.850 1040 V CB 1.567 33.412 31.823 0.037 0.000 0.992 1040 V HN 0.835 nan 8.190 nan 0.000 0.426 1041 S N 3.425 119.204 115.700 0.132 0.000 2.508 1041 S HA 0.695 5.165 4.470 -0.001 0.000 0.284 1041 S C -0.155 174.365 174.600 -0.134 0.000 1.192 1041 S CA -0.594 57.600 58.200 -0.009 0.000 1.070 1041 S CB 1.546 64.798 63.200 0.087 0.000 1.004 1041 S HN 0.553 nan 8.310 nan 0.000 0.493 1042 S N 2.406 117.914 115.700 -0.319 0.000 2.509 1042 S HA 0.540 5.010 4.470 -0.001 0.000 0.297 1042 S C -0.798 173.501 174.600 -0.502 0.000 1.118 1042 S CA -0.753 57.303 58.200 -0.240 0.000 1.074 1042 S CB 0.476 63.611 63.200 -0.109 0.000 1.038 1042 S HN 0.788 nan 8.310 nan 0.000 0.498 1043 H N 0.498 119.560 119.070 -0.013 0.000 2.806 1043 H HA 0.337 4.893 4.556 -0.001 0.000 0.367 1043 H C -0.796 174.530 175.328 -0.003 0.000 1.136 1043 H CA -0.679 55.363 56.048 -0.009 0.000 1.178 1043 H CB 1.709 31.467 29.762 -0.007 0.000 1.718 1043 H HN 0.511 nan 8.280 nan 0.000 0.540 1044 S N 1.510 117.271 115.700 0.103 0.000 2.528 1044 S HA 0.191 4.661 4.470 -0.001 0.000 0.277 1044 S C 0.672 175.314 174.600 0.071 0.000 1.297 1044 S CA -0.339 57.899 58.200 0.064 0.000 1.052 1044 S CB 1.520 64.746 63.200 0.044 0.000 0.917 1044 S HN 0.556 nan 8.310 nan 0.000 0.492 1045 S N 0.000 115.730 115.700 0.050 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.225 58.200 0.042 0.000 1.107 1045 S CB 0.000 63.222 63.200 0.036 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517