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 3bud_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 0.000 176.007 176.000 0.012 0.000 1.003 30 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 30 Q CB 0.000 28.744 28.738 0.009 0.000 1.108 31 c N 3.231 121.834 118.600 0.005 0.000 2.653 31 c HA 0.152 4.721 4.570 -0.001 0.000 0.421 31 c C 0.777 174.878 174.090 0.018 0.000 1.334 31 c CA -0.202 56.131 56.329 0.008 0.000 1.885 31 c CB 0.444 42.945 42.510 -0.015 0.000 2.645 31 c HN 0.714 nan 8.230 nan 0.000 0.601 32 Q N 1.732 121.559 119.800 0.044 0.000 2.361 32 Q HA 0.027 4.366 4.340 -0.001 0.000 0.276 32 Q C 0.045 176.074 176.000 0.047 0.000 1.022 32 Q CA 0.512 56.357 55.803 0.069 0.000 0.898 32 Q CB 0.503 29.320 28.738 0.131 0.000 1.246 32 Q HN 0.645 nan 8.270 nan 0.000 0.410 33 D N 1.767 122.198 120.400 0.051 0.000 2.316 33 D HA 0.065 4.704 4.640 -0.001 0.000 0.245 33 D C 0.479 176.822 176.300 0.071 0.000 1.171 33 D CA -0.192 53.820 54.000 0.019 0.000 0.856 33 D CB 1.277 42.090 40.800 0.021 0.000 1.090 33 D HN 0.379 nan 8.370 nan 0.000 0.476 34 V N 2.206 122.110 119.914 -0.016 0.000 3.633 34 V HA 0.087 4.206 4.120 -0.001 0.000 0.283 34 V C 1.051 177.188 176.094 0.071 0.000 1.305 34 V CA 0.120 62.465 62.300 0.074 0.000 1.153 34 V CB 0.188 31.878 31.823 -0.222 0.000 0.950 34 V HN 0.394 nan 8.190 nan 0.000 0.432 35 V N -0.172 119.710 119.914 -0.054 0.000 2.911 35 V HA 0.097 4.216 4.120 -0.001 0.000 0.237 35 V C 2.325 178.410 176.094 -0.015 0.000 1.156 35 V CA 1.181 63.408 62.300 -0.121 0.000 1.180 35 V CB 0.037 31.741 31.823 -0.199 0.000 0.932 35 V HN 0.461 nan 8.190 nan 0.000 0.483 36 Q N -0.090 119.744 119.800 0.057 0.000 2.396 36 Q HA 0.106 4.445 4.340 -0.001 0.000 0.209 36 Q C -0.418 175.666 176.000 0.139 0.000 0.906 36 Q CA 0.426 56.276 55.803 0.079 0.000 0.927 36 Q CB 0.526 29.283 28.738 0.032 0.000 1.069 36 Q HN 0.539 nan 8.270 nan 0.000 0.523 37 D N 1.393 121.904 120.400 0.184 0.000 2.414 37 D HA 0.172 4.811 4.640 -0.001 0.000 0.232 37 D C -0.593 175.820 176.300 0.188 0.000 1.070 37 D CA -0.273 53.821 54.000 0.157 0.000 0.839 37 D CB 2.242 43.111 40.800 0.114 0.000 1.079 37 D HN -0.174 nan 8.370 nan 0.000 0.521 38 V N 4.281 124.274 119.914 0.132 0.000 2.450 38 V HA 0.085 4.204 4.120 -0.001 0.000 0.281 38 V C -1.835 174.239 176.094 -0.034 0.000 1.019 38 V CA -1.050 61.248 62.300 -0.004 0.000 1.062 38 V CB 0.012 31.840 31.823 0.008 0.000 0.979 38 V HN 0.314 nan 8.190 nan 0.000 0.477 39 P HA 0.048 nan 4.420 nan 0.000 0.265 39 P C -0.314 176.958 177.300 -0.046 0.000 1.193 39 P CA -0.025 63.045 63.100 -0.050 0.000 0.765 39 P CB 0.288 31.940 31.700 -0.081 0.000 0.823 40 N N 3.165 121.853 118.700 -0.019 0.000 2.420 40 N HA 0.310 5.050 4.740 -0.001 0.000 0.249 40 N C -1.043 174.460 175.510 -0.013 0.000 1.033 40 N CA -0.365 52.676 53.050 -0.015 0.000 0.944 40 N CB 0.074 38.560 38.487 -0.000 0.000 1.113 40 N HN 0.134 nan 8.380 nan 0.000 0.502 41 V N 0.519 120.419 119.914 -0.024 0.000 3.040 41 V HA 0.545 4.665 4.120 -0.001 0.000 0.312 41 V C 0.504 176.584 176.094 -0.023 0.000 1.115 41 V CA -0.734 61.555 62.300 -0.019 0.000 0.998 41 V CB 2.103 33.906 31.823 -0.034 0.000 1.042 41 V HN 0.386 nan 8.190 nan 0.000 0.433 42 D N 1.058 121.451 120.400 -0.012 0.000 2.149 42 D HA 0.046 4.686 4.640 -0.001 0.000 0.201 42 D C 0.523 176.793 176.300 -0.050 0.000 0.972 42 D CA 1.573 55.563 54.000 -0.017 0.000 0.835 42 D CB 0.522 41.328 40.800 0.011 0.000 0.966 42 D HN 0.433 nan 8.370 nan 0.000 0.476 43 V N 1.448 121.311 119.914 -0.086 0.000 2.483 43 V HA 0.244 4.364 4.120 -0.001 0.000 0.297 43 V C -0.335 175.664 176.094 -0.157 0.000 1.027 43 V CA -0.745 61.474 62.300 -0.136 0.000 0.855 43 V CB 2.427 34.122 31.823 -0.213 0.000 0.995 43 V HN -0.082 nan 8.190 nan 0.000 0.424 44 Q N 4.425 124.144 119.800 -0.136 0.000 2.327 44 Q HA 0.444 4.783 4.340 -0.001 0.000 0.270 44 Q C 0.285 176.192 176.000 -0.155 0.000 1.022 44 Q CA -0.673 55.044 55.803 -0.144 0.000 0.773 44 Q CB 1.930 30.604 28.738 -0.106 0.000 1.251 44 Q HN 0.676 nan 8.270 nan 0.000 0.457 45 M N 2.998 122.461 119.600 -0.229 0.000 2.229 45 M HA -0.135 4.344 4.480 -0.001 0.000 0.264 45 M C 1.599 177.806 176.300 -0.156 0.000 1.063 45 M CA 0.881 56.032 55.300 -0.249 0.000 1.114 45 M CB -0.753 31.561 32.600 -0.477 0.000 1.387 45 M HN 0.582 nan 8.290 nan 0.000 0.420 46 L N 0.759 121.881 121.223 -0.169 0.000 2.017 46 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 46 L C 2.497 179.366 176.870 -0.002 0.000 1.073 46 L CA 1.873 56.648 54.840 -0.107 0.000 0.745 46 L CB -0.686 41.284 42.059 -0.149 0.000 0.894 46 L HN 0.271 nan 8.230 nan 0.000 0.432 47 E N -0.386 119.796 120.200 -0.030 0.000 2.077 47 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 47 E C 2.215 178.830 176.600 0.025 0.000 0.989 47 E CA 1.553 57.949 56.400 -0.007 0.000 0.800 47 E CB -0.332 29.349 29.700 -0.032 0.000 0.746 47 E HN 0.436 nan 8.360 nan 0.000 0.452 48 L N 0.504 121.742 121.223 0.024 0.000 2.012 48 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 48 L C 2.306 179.252 176.870 0.128 0.000 1.073 48 L CA 1.695 56.559 54.840 0.040 0.000 0.748 48 L CB -1.049 41.019 42.059 0.014 0.000 0.891 48 L HN 0.130 nan 8.230 nan 0.000 0.431 49 Y N 0.097 120.409 120.300 0.019 0.000 2.151 49 Y HA -0.302 4.248 4.550 -0.001 0.000 0.284 49 Y C 2.612 178.612 175.900 0.167 0.000 1.166 49 Y CA 1.923 60.124 58.100 0.169 0.000 1.163 49 Y CB -0.737 37.809 38.460 0.143 0.000 0.974 49 Y HN 0.367 nan 8.280 nan 0.000 0.511 50 D N -0.581 119.933 120.400 0.190 0.000 2.144 50 D HA -0.136 4.504 4.640 -0.001 0.000 0.199 50 D C 2.121 178.463 176.300 0.070 0.000 0.984 50 D CA 1.311 55.374 54.000 0.105 0.000 0.834 50 D CB 0.019 40.854 40.800 0.060 0.000 0.955 50 D HN 0.264 nan 8.370 nan 0.000 0.465 51 R N -1.047 119.479 120.500 0.044 0.000 2.080 51 R HA 0.176 4.515 4.340 -0.001 0.000 0.222 51 R C 0.870 177.156 176.300 -0.024 0.000 1.107 51 R CA 0.096 56.198 56.100 0.002 0.000 0.980 51 R CB -0.017 30.269 30.300 -0.023 0.000 0.879 51 R HN 0.203 nan 8.270 nan 0.000 0.439 52 M N 0.819 120.375 119.600 -0.073 0.000 2.252 52 M HA -0.060 4.420 4.480 -0.001 0.000 0.333 52 M C 1.284 177.545 176.300 -0.067 0.000 1.111 52 M CA 0.346 55.509 55.300 -0.229 0.000 1.140 52 M CB 1.145 33.328 32.600 -0.695 0.000 1.538 52 M HN 0.084 nan 8.290 nan 0.000 0.448 53 S N 1.019 116.661 115.700 -0.096 0.000 2.524 53 S HA 0.121 4.591 4.470 -0.001 0.000 0.216 53 S C 0.589 175.296 174.600 0.178 0.000 0.987 53 S CA -0.334 57.900 58.200 0.057 0.000 0.909 53 S CB -0.222 62.984 63.200 0.011 0.000 0.781 53 S HN 0.760 nan 8.310 nan 0.000 0.521 54 F N 0.968 120.847 119.950 -0.118 0.000 3.093 54 F HA -0.157 4.369 4.527 -0.001 0.000 0.287 54 F C 0.219 176.033 175.800 0.023 0.000 0.882 54 F CA 0.335 58.272 58.000 -0.106 0.000 1.063 54 F CB -1.870 37.039 39.000 -0.151 0.000 1.097 54 F HN 0.109 nan 8.300 nan 0.000 0.604 55 K N 1.054 121.531 120.400 0.128 0.000 2.350 55 K HA 0.180 4.499 4.320 -0.001 0.000 0.279 55 K C 0.250 176.965 176.600 0.191 0.000 1.027 55 K CA -0.162 56.208 56.287 0.137 0.000 0.969 55 K CB 0.630 33.172 32.500 0.070 0.000 0.954 55 K HN 0.098 nan 8.250 nan 0.000 0.474 56 D N 3.427 123.951 120.400 0.207 0.000 2.540 56 D HA 0.185 4.824 4.640 -0.001 0.000 0.251 56 D C -0.327 176.018 176.300 0.074 0.000 1.159 56 D CA -0.528 53.599 54.000 0.212 0.000 0.974 56 D CB -0.508 40.434 40.800 0.236 0.000 0.996 56 D HN 0.490 nan 8.370 nan 0.000 0.512 57 I N -1.260 119.339 120.570 0.049 0.000 2.498 57 I HA 0.496 4.666 4.170 -0.001 0.000 0.301 57 I C 0.055 176.158 176.117 -0.023 0.000 0.984 57 I CA -0.951 60.355 61.300 0.010 0.000 1.204 57 I CB 1.542 39.549 38.000 0.013 0.000 1.362 57 I HN -0.119 nan 8.210 nan 0.000 0.471 58 D N 4.406 124.791 120.400 -0.024 0.000 2.349 58 D HA 0.116 4.755 4.640 -0.001 0.000 0.266 58 D C 1.058 177.342 176.300 -0.026 0.000 1.293 58 D CA 0.259 54.240 54.000 -0.033 0.000 0.926 58 D CB 1.330 42.119 40.800 -0.018 0.000 1.090 58 D HN 0.847 nan 8.370 nan 0.000 0.502 59 G N 2.427 111.194 108.800 -0.055 0.000 2.985 59 G HA2 0.402 4.362 3.960 -0.001 0.000 0.209 59 G HA3 0.402 4.362 3.960 -0.001 0.000 0.209 59 G C 0.901 175.800 174.900 -0.002 0.000 1.165 59 G CA 0.402 45.473 45.100 -0.048 0.000 0.776 59 G HN 0.894 nan 8.290 nan 0.000 0.541 60 G N -0.647 108.156 108.800 0.005 0.000 2.443 60 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.209 60 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.209 60 G C 1.187 176.105 174.900 0.031 0.000 1.176 60 G CA 0.685 45.800 45.100 0.026 0.000 1.074 60 G HN 1.099 nan 8.290 nan 0.000 0.577 61 V N -3.385 116.546 119.914 0.028 0.000 2.332 61 V HA 0.039 4.159 4.120 -0.001 0.000 0.248 61 V C 1.511 177.624 176.094 0.032 0.000 1.055 61 V CA 2.475 64.773 62.300 -0.005 0.000 1.038 61 V CB -0.639 31.149 31.823 -0.059 0.000 0.651 61 V HN 1.477 nan 8.190 nan 0.000 0.450 62 W N 2.617 123.816 121.300 -0.169 0.000 2.430 62 W HA 0.410 5.069 4.660 -0.001 0.000 0.380 62 W C 1.239 177.711 176.519 -0.079 0.000 1.045 62 W CA -1.664 55.573 57.345 -0.180 0.000 1.547 62 W CB 0.079 29.395 29.460 -0.240 0.000 1.554 62 W HN 0.077 nan 8.180 nan 0.000 0.378 63 K N 2.639 123.124 120.400 0.141 0.000 2.152 63 K HA -0.200 4.120 4.320 -0.001 0.000 0.206 63 K C 0.845 177.363 176.600 -0.137 0.000 1.048 63 K CA 1.596 57.873 56.287 -0.016 0.000 0.933 63 K CB 0.150 32.635 32.500 -0.026 0.000 0.721 63 K HN 0.571 nan 8.250 nan 0.000 0.447 64 Q N -0.920 118.755 119.800 -0.207 0.000 2.179 64 Q HA 0.165 4.505 4.340 -0.001 0.000 0.213 64 Q C 0.773 176.396 176.000 -0.628 0.000 0.833 64 Q CA -0.336 55.321 55.803 -0.242 0.000 0.990 64 Q CB 1.379 30.112 28.738 -0.008 0.000 1.132 64 Q HN 0.200 nan 8.270 nan 0.000 0.493 65 G N 0.628 108.585 108.800 -1.405 0.000 3.356 65 G HA2 0.526 4.485 3.960 -0.001 0.000 0.178 65 G HA3 0.526 4.485 3.960 -0.001 0.000 0.178 65 G C -1.388 173.184 174.900 -0.545 0.000 1.175 65 G CA -0.427 43.575 45.100 -1.830 0.000 0.840 65 G HN 0.344 nan 8.290 nan 0.000 0.658 66 W N -1.351 119.661 121.300 -0.480 0.000 3.038 66 W HA 0.643 5.303 4.660 -0.001 0.000 0.347 66 W C -1.219 175.387 176.519 0.145 0.000 1.219 66 W CA -1.218 56.074 57.345 -0.089 0.000 1.142 66 W CB 0.684 30.112 29.460 -0.053 0.000 1.484 66 W HN 0.168 nan 8.180 nan 0.000 0.586 67 N N 2.096 120.956 118.700 0.266 0.000 2.406 67 N HA 0.179 4.918 4.740 -0.001 0.000 0.265 67 N C -0.339 175.326 175.510 0.259 0.000 1.203 67 N CA 0.108 53.270 53.050 0.187 0.000 0.945 67 N CB 0.288 38.879 38.487 0.174 0.000 1.165 67 N HN 0.399 nan 8.380 nan 0.000 0.485 68 I N 2.162 122.783 120.570 0.086 0.000 2.556 68 I HA 0.017 4.186 4.170 -0.001 0.000 0.284 68 I C 0.746 177.040 176.117 0.295 0.000 1.114 68 I CA 0.241 61.664 61.300 0.205 0.000 1.418 68 I CB 0.457 38.513 38.000 0.094 0.000 1.394 68 I HN 0.121 nan 8.210 nan 0.000 0.552 69 K N 6.249 126.859 120.400 0.350 0.000 2.259 69 K HA 0.580 4.899 4.320 -0.001 0.000 0.249 69 K C -1.289 175.496 176.600 0.308 0.000 0.942 69 K CA -0.647 55.782 56.287 0.237 0.000 0.816 69 K CB 2.062 34.656 32.500 0.157 0.000 1.155 69 K HN 0.461 nan 8.250 nan 0.000 0.428 70 Y N -1.825 118.566 120.300 0.152 0.000 2.553 70 Y HA 0.432 4.982 4.550 -0.001 0.000 0.347 70 Y C -0.981 174.986 175.900 0.113 0.000 1.019 70 Y CA -1.663 56.524 58.100 0.145 0.000 1.032 70 Y CB 1.122 39.693 38.460 0.184 0.000 1.284 70 Y HN 0.404 nan 8.280 nan 0.000 0.466 71 D N 4.241 124.748 120.400 0.178 0.000 2.336 71 D HA 0.252 4.891 4.640 -0.001 0.000 0.249 71 D C -1.640 174.772 176.300 0.186 0.000 1.213 71 D CA -2.634 51.417 54.000 0.086 0.000 0.870 71 D CB 1.448 42.285 40.800 0.062 0.000 1.076 71 D HN 0.438 nan 8.370 nan 0.000 0.483 72 P HA -0.116 nan 4.420 nan 0.000 0.221 72 P C 1.404 178.837 177.300 0.222 0.000 1.145 72 P CA 0.674 63.934 63.100 0.268 0.000 0.795 72 P CB 0.357 32.147 31.700 0.150 0.000 0.775 73 L N -0.674 120.623 121.223 0.123 0.000 2.599 73 L HA 0.056 4.395 4.340 -0.001 0.000 0.230 73 L C 2.626 179.520 176.870 0.041 0.000 1.141 73 L CA 0.469 55.361 54.840 0.087 0.000 0.877 73 L CB -0.615 41.476 42.059 0.053 0.000 1.009 73 L HN -0.001 nan 8.230 nan 0.000 0.447 74 K N 0.644 121.030 120.400 -0.023 0.000 2.063 74 K HA -0.154 4.165 4.320 -0.001 0.000 0.208 74 K C -0.101 176.334 176.600 -0.275 0.000 1.048 74 K CA 1.234 57.384 56.287 -0.228 0.000 0.928 74 K CB 0.072 32.323 32.500 -0.416 0.000 0.713 74 K HN 0.097 nan 8.250 nan 0.000 0.442 75 Y N 0.687 121.116 120.300 0.214 0.000 2.361 75 Y HA 0.272 4.821 4.550 -0.000 0.000 0.332 75 Y C 0.069 176.055 175.900 0.142 0.000 1.101 75 Y CA -1.117 57.102 58.100 0.199 0.000 1.137 75 Y CB 1.308 39.842 38.460 0.122 0.000 1.207 75 Y HN 0.255 nan 8.280 nan 0.000 0.463 76 N N -0.844 118.018 118.700 0.269 0.000 3.277 76 N HA 0.509 5.248 4.740 -0.001 0.000 0.278 76 N C 0.109 175.649 175.510 0.049 0.000 1.544 76 N CA -0.450 52.681 53.050 0.136 0.000 0.869 76 N CB 0.395 38.950 38.487 0.114 0.000 1.584 76 N HN 0.520 nan 8.380 nan 0.000 0.564 77 A N -1.054 121.706 122.820 -0.100 0.000 1.958 77 A HA -0.237 4.083 4.320 -0.001 0.000 0.221 77 A C 1.000 178.424 177.584 -0.267 0.000 1.178 77 A CA 1.657 53.538 52.037 -0.259 0.000 0.642 77 A CB -1.136 17.584 19.000 -0.467 0.000 0.816 77 A HN 0.710 nan 8.150 nan 0.000 0.453 78 H N -3.181 115.948 119.070 0.098 0.000 2.551 78 H HA 0.177 4.733 4.556 -0.001 0.000 0.271 78 H C -0.310 175.123 175.328 0.174 0.000 0.984 78 H CA 0.726 56.835 56.048 0.103 0.000 1.164 78 H CB 0.124 29.935 29.762 0.082 0.000 1.437 78 H HN 0.751 nan 8.280 nan 0.000 0.550 79 H N 0.508 119.659 119.070 0.135 0.000 2.750 79 H HA 0.281 4.836 4.556 -0.000 0.000 0.261 79 H C -0.754 174.691 175.328 0.195 0.000 1.387 79 H CA -0.431 55.704 56.048 0.146 0.000 1.557 79 H CB 0.207 30.050 29.762 0.135 0.000 1.756 79 H HN -0.054 nan 8.280 nan 0.000 0.580 80 K N 1.905 122.265 120.400 -0.066 0.000 2.098 80 K HA 0.290 4.609 4.320 -0.001 0.000 0.257 80 K C -0.623 175.842 176.600 -0.225 0.000 0.999 80 K CA -1.209 55.028 56.287 -0.085 0.000 0.924 80 K CB 1.543 33.981 32.500 -0.103 0.000 1.028 80 K HN 0.216 nan 8.250 nan 0.000 0.466 81 L N 2.516 123.512 121.223 -0.377 0.000 2.315 81 L HA 0.160 4.500 4.340 -0.001 0.000 0.283 81 L C -0.562 176.080 176.870 -0.380 0.000 1.089 81 L CA -0.048 54.491 54.840 -0.501 0.000 0.833 81 L CB 0.190 41.731 42.059 -0.863 0.000 1.170 81 L HN 0.339 nan 8.230 nan 0.000 0.442 82 K N 4.138 124.333 120.400 -0.342 0.000 2.248 82 K HA 0.532 4.851 4.320 -0.001 0.000 0.281 82 K C -1.479 174.790 176.600 -0.550 0.000 1.054 82 K CA -0.321 55.704 56.287 -0.436 0.000 0.903 82 K CB 0.919 33.206 32.500 -0.355 0.000 1.077 82 K HN 0.424 nan 8.250 nan 0.000 0.474 83 V N 6.074 125.542 119.914 -0.743 0.000 2.409 83 V HA 0.460 4.579 4.120 -0.001 0.000 0.291 83 V C -0.944 174.609 176.094 -0.902 0.000 1.020 83 V CA -0.724 61.091 62.300 -0.808 0.000 0.848 83 V CB 0.802 31.970 31.823 -1.091 0.000 0.990 83 V HN 0.581 nan 8.190 nan 0.000 0.430 84 F N 3.768 123.466 119.950 -0.420 0.000 2.361 84 F HA 0.508 5.034 4.527 -0.001 0.000 0.364 84 F C 0.198 175.809 175.800 -0.314 0.000 1.117 84 F CA -0.698 57.108 58.000 -0.324 0.000 1.071 84 F CB 1.753 40.636 39.000 -0.195 0.000 1.188 84 F HN 0.182 nan 8.300 nan 0.000 0.464 85 V N 5.122 124.989 119.914 -0.078 0.000 2.364 85 V HA 0.311 4.430 4.120 -0.001 0.000 0.272 85 V C -0.243 175.947 176.094 0.161 0.000 1.036 85 V CA -0.650 61.671 62.300 0.035 0.000 0.880 85 V CB 1.266 33.176 31.823 0.146 0.000 0.991 85 V HN 0.436 nan 8.190 nan 0.000 0.460 86 V N 8.173 128.135 119.914 0.080 0.000 2.275 86 V HA 0.313 4.433 4.120 -0.001 0.000 0.272 86 V C -2.389 173.745 176.094 0.067 0.000 1.028 86 V CA -1.970 60.343 62.300 0.021 0.000 0.810 86 V CB 1.320 33.062 31.823 -0.135 0.000 1.043 86 V HN 0.715 nan 8.190 nan 0.000 0.453 87 P HA 0.326 nan 4.420 nan 0.000 0.271 87 P C -0.793 176.490 177.300 -0.029 0.000 1.216 87 P CA 0.290 63.370 63.100 -0.033 0.000 0.771 87 P CB 0.342 31.849 31.700 -0.322 0.000 0.864 88 H N -1.044 118.008 119.070 -0.030 0.000 2.990 88 H HA 0.802 5.357 4.556 -0.001 0.000 0.336 88 H C -1.474 173.963 175.328 0.181 0.000 1.306 88 H CA -1.142 54.792 56.048 -0.190 0.000 1.118 88 H CB 1.001 30.594 29.762 -0.282 0.000 1.856 88 H HN 0.208 nan 8.280 nan 0.000 0.538 89 S N 0.569 116.293 115.700 0.041 0.000 2.720 89 S HA 0.202 4.672 4.470 -0.001 0.000 0.278 89 S C -1.876 172.653 174.600 -0.118 0.000 1.172 89 S CA -0.670 57.596 58.200 0.110 0.000 1.019 89 S CB 0.218 63.674 63.200 0.428 0.000 1.049 89 S HN 0.840 nan 8.310 nan 0.000 0.483 90 H N 4.484 123.451 119.070 -0.172 0.000 2.864 90 H HA 0.416 4.971 4.556 -0.001 0.000 0.281 90 H C -0.105 174.804 175.328 -0.698 0.000 1.093 90 H CA 0.260 56.114 56.048 -0.324 0.000 1.453 90 H CB 0.167 29.778 29.762 -0.251 0.000 1.462 90 H HN 0.552 nan 8.280 nan 0.000 0.480 91 N N 5.503 123.533 118.700 -1.116 0.000 2.558 91 N HA 0.053 4.792 4.740 -0.001 0.000 0.242 91 N C -1.127 173.924 175.510 -0.765 0.000 0.979 91 N CA -0.615 51.668 53.050 -1.279 0.000 0.931 91 N CB 1.035 39.038 38.487 -0.807 0.000 1.122 91 N HN 0.641 nan 8.380 nan 0.000 0.508 92 D N 2.756 122.743 120.400 -0.689 0.000 2.371 92 D HA 0.101 4.741 4.640 -0.001 0.000 0.256 92 D C -2.056 174.314 176.300 0.117 0.000 1.193 92 D CA -0.979 52.888 54.000 -0.222 0.000 0.881 92 D CB 1.302 42.220 40.800 0.197 0.000 1.143 92 D HN 0.201 nan 8.370 nan 0.000 0.473 93 P HA 0.179 nan 4.420 nan 0.000 0.235 93 P C 0.048 177.553 177.300 0.342 0.000 1.765 93 P CA 0.045 63.170 63.100 0.042 0.000 1.034 93 P CB 0.121 31.714 31.700 -0.178 0.000 1.984 94 G N 0.473 109.660 108.800 0.645 0.000 3.055 94 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.686 94 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.686 94 G C -1.004 174.435 174.900 0.898 0.000 1.087 94 G CA -0.605 44.890 45.100 0.659 0.000 0.779 94 G HN 0.375 nan 8.290 nan 0.000 0.599 95 W N 2.538 124.190 121.300 0.588 0.000 4.518 95 W HA 0.300 4.959 4.660 -0.001 0.000 0.160 95 W C 0.940 177.640 176.519 0.302 0.000 3.470 95 W CA 0.899 58.552 57.345 0.514 0.000 1.183 95 W CB -0.737 29.113 29.460 0.651 0.000 2.083 95 W HN 0.505 nan 8.180 nan 0.000 0.403 96 I N 2.107 122.697 120.570 0.033 0.000 3.030 96 I HA 0.115 4.284 4.170 -0.001 0.000 0.270 96 I C 0.418 176.398 176.117 -0.230 0.000 1.211 96 I CA 1.175 62.297 61.300 -0.297 0.000 1.479 96 I CB -1.077 36.695 38.000 -0.380 0.000 1.105 96 I HN 0.003 nan 8.210 nan 0.000 0.447 97 Q N 0.168 119.679 119.800 -0.481 0.000 2.458 97 Q HA 0.353 4.693 4.340 -0.001 0.000 0.282 97 Q C 0.163 175.917 176.000 -0.410 0.000 1.106 97 Q CA -0.429 55.029 55.803 -0.575 0.000 0.814 97 Q CB 2.048 30.132 28.738 -1.090 0.000 1.425 97 Q HN 0.259 nan 8.270 nan 0.000 0.437 98 T N -2.277 112.154 114.554 -0.206 0.000 2.748 98 T HA 0.135 4.484 4.350 -0.001 0.000 0.304 98 T C 1.084 175.894 174.700 0.183 0.000 1.041 98 T CA -0.390 61.674 62.100 -0.060 0.000 1.033 98 T CB 0.253 69.120 68.868 -0.002 0.000 0.995 98 T HN 0.518 nan 8.240 nan 0.000 0.536 99 F N 1.192 121.224 119.950 0.137 0.000 2.065 99 F HA -0.129 4.398 4.527 -0.001 0.000 0.298 99 F C 2.504 178.514 175.800 0.350 0.000 1.112 99 F CA 2.361 60.516 58.000 0.259 0.000 1.212 99 F CB -0.399 38.640 39.000 0.064 0.000 0.975 99 F HN 0.785 nan 8.300 nan 0.000 0.476 100 E N 0.467 120.925 120.200 0.430 0.000 2.110 100 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 100 E C 2.020 178.775 176.600 0.257 0.000 0.988 100 E CA 1.828 58.431 56.400 0.339 0.000 0.804 100 E CB -0.307 29.575 29.700 0.303 0.000 0.745 100 E HN 0.622 nan 8.360 nan 0.000 0.458 101 E N -1.058 119.245 120.200 0.172 0.000 2.051 101 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 101 E C 1.901 178.568 176.600 0.112 0.000 0.991 101 E CA 1.221 57.673 56.400 0.086 0.000 0.799 101 E CB -0.274 29.409 29.700 -0.028 0.000 0.748 101 E HN 0.336 nan 8.360 nan 0.000 0.449 102 Y N -0.406 119.954 120.300 0.099 0.000 2.165 102 Y HA -0.268 4.281 4.550 -0.001 0.000 0.286 102 Y C 2.224 178.139 175.900 0.026 0.000 1.155 102 Y CA 1.286 59.394 58.100 0.012 0.000 1.164 102 Y CB -0.845 37.682 38.460 0.111 0.000 0.978 102 Y HN 0.203 nan 8.280 nan 0.000 0.513 103 Y N 0.839 121.235 120.300 0.161 0.000 2.128 103 Y HA -0.296 4.254 4.550 -0.001 0.000 0.284 103 Y C 2.338 178.269 175.900 0.052 0.000 1.154 103 Y CA 1.985 60.115 58.100 0.050 0.000 1.149 103 Y CB -0.398 38.065 38.460 0.005 0.000 0.976 103 Y HN 0.059 nan 8.280 nan 0.000 0.505 104 Q N -0.832 118.995 119.800 0.045 0.000 2.079 104 Q HA -0.226 4.113 4.340 -0.001 0.000 0.200 104 Q C 2.340 178.356 176.000 0.026 0.000 0.974 104 Q CA 1.939 57.727 55.803 -0.025 0.000 0.840 104 Q CB -0.769 28.045 28.738 0.128 0.000 0.898 104 Q HN 0.676 nan 8.270 nan 0.000 0.430 105 H N -0.283 118.806 119.070 0.032 0.000 2.448 105 H HA -0.013 4.542 4.556 -0.001 0.000 0.292 105 H C 0.557 175.988 175.328 0.171 0.000 1.035 105 H CA 1.037 57.141 56.048 0.094 0.000 1.349 105 H CB 0.871 30.653 29.762 0.033 0.000 1.425 105 H HN 0.219 nan 8.280 nan 0.000 0.539 106 D N -1.389 119.089 120.400 0.130 0.000 3.208 106 D HA 0.013 4.652 4.640 -0.001 0.000 0.281 106 D C 1.771 178.110 176.300 0.066 0.000 1.328 106 D CA 0.406 54.469 54.000 0.104 0.000 1.102 106 D CB 0.124 40.924 40.800 -0.000 0.000 1.267 106 D HN 0.158 nan 8.370 nan 0.000 0.405 107 T N 2.493 117.024 114.554 -0.038 0.000 2.821 107 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 107 T C 1.953 176.501 174.700 -0.253 0.000 1.046 107 T CA 1.399 63.444 62.100 -0.091 0.000 1.139 107 T CB -0.067 68.613 68.868 -0.314 0.000 0.871 107 T HN 0.247 nan 8.240 nan 0.000 0.454 108 K N 0.893 120.954 120.400 -0.566 0.000 2.147 108 K HA -0.174 4.146 4.320 -0.001 0.000 0.205 108 K C 1.963 178.324 176.600 -0.399 0.000 1.049 108 K CA 1.500 57.441 56.287 -0.577 0.000 0.936 108 K CB -0.432 31.485 32.500 -0.971 0.000 0.722 108 K HN 0.395 nan 8.250 nan 0.000 0.446 109 H N 1.139 120.124 119.070 -0.141 0.000 2.357 109 H HA 0.018 4.573 4.556 -0.001 0.000 0.301 109 H C 2.346 177.660 175.328 -0.023 0.000 1.082 109 H CA 1.541 57.553 56.048 -0.060 0.000 1.342 109 H CB -0.261 29.468 29.762 -0.055 0.000 1.389 109 H HN 0.193 nan 8.280 nan 0.000 0.511 110 I N 0.761 121.399 120.570 0.114 0.000 2.118 110 I HA -0.296 3.873 4.170 -0.001 0.000 0.241 110 I C 2.539 178.652 176.117 -0.008 0.000 1.070 110 I CA 1.229 62.637 61.300 0.181 0.000 1.327 110 I CB -0.345 37.833 38.000 0.298 0.000 1.034 110 I HN 0.091 nan 8.210 nan 0.000 0.405 111 L N -0.302 120.704 121.223 -0.362 0.000 2.056 111 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 111 L C 2.696 179.192 176.870 -0.624 0.000 1.078 111 L CA 1.135 55.495 54.840 -0.800 0.000 0.749 111 L CB -0.462 40.540 42.059 -1.761 0.000 0.901 111 L HN 0.184 nan 8.230 nan 0.000 0.433 112 S N 0.045 115.527 115.700 -0.363 0.000 2.356 112 S HA -0.139 4.330 4.470 -0.001 0.000 0.223 112 S C 1.693 176.253 174.600 -0.067 0.000 1.032 112 S CA 1.373 59.596 58.200 0.038 0.000 1.005 112 S CB -0.294 62.994 63.200 0.146 0.000 0.867 112 S HN 0.456 nan 8.310 nan 0.000 0.449 113 N N 1.684 120.328 118.700 -0.095 0.000 2.331 113 N HA 0.120 4.860 4.740 -0.001 0.000 0.180 113 N C 1.728 176.859 175.510 -0.631 0.000 1.019 113 N CA 0.963 53.877 53.050 -0.228 0.000 0.881 113 N CB -0.552 37.905 38.487 -0.050 0.000 0.972 113 N HN 0.395 nan 8.380 nan 0.000 0.435 114 A N 1.222 123.744 122.820 -0.496 0.000 1.902 114 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 114 A C 2.180 179.474 177.584 -0.483 0.000 1.181 114 A CA 0.970 52.577 52.037 -0.716 0.000 0.623 114 A CB -0.712 18.113 19.000 -0.290 0.000 0.818 114 A HN 0.213 nan 8.150 nan 0.000 0.443 115 L N 0.180 121.258 121.223 -0.242 0.000 1.989 115 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 115 L C 2.497 179.291 176.870 -0.126 0.000 1.071 115 L CA 2.593 57.373 54.840 -0.101 0.000 0.749 115 L CB -0.774 41.293 42.059 0.013 0.000 0.890 115 L HN 0.527 nan 8.230 nan 0.000 0.431 116 R N -1.710 118.688 120.500 -0.171 0.000 2.070 116 R HA -0.253 4.087 4.340 -0.001 0.000 0.233 116 R C 2.410 178.610 176.300 -0.167 0.000 1.137 116 R CA 2.037 58.057 56.100 -0.133 0.000 0.945 116 R CB -0.629 29.599 30.300 -0.121 0.000 0.845 116 R HN 0.531 nan 8.270 nan 0.000 0.430 117 H N 0.237 119.014 119.070 -0.487 0.000 2.353 117 H HA -0.022 4.534 4.556 -0.001 0.000 0.300 117 H C 2.085 177.188 175.328 -0.375 0.000 1.090 117 H CA 2.176 57.910 56.048 -0.522 0.000 1.327 117 H CB -0.088 29.073 29.762 -1.002 0.000 1.383 117 H HN 0.158 nan 8.280 nan 0.000 0.508 118 L N -0.724 120.311 121.223 -0.313 0.000 2.056 118 L HA -0.212 4.128 4.340 -0.001 0.000 0.207 118 L C 2.586 179.401 176.870 -0.093 0.000 1.078 118 L CA 1.530 56.269 54.840 -0.168 0.000 0.749 118 L CB -0.725 41.259 42.059 -0.125 0.000 0.901 118 L HN 0.505 nan 8.230 nan 0.000 0.433 119 H N 0.656 119.640 119.070 -0.143 0.000 2.319 119 H HA -0.213 4.342 4.556 -0.001 0.000 0.297 119 H C 1.300 176.563 175.328 -0.109 0.000 1.097 119 H CA 2.154 58.143 56.048 -0.097 0.000 1.285 119 H CB 0.221 29.933 29.762 -0.082 0.000 1.368 119 H HN 0.335 nan 8.280 nan 0.000 0.495 120 D N 0.229 120.534 120.400 -0.159 0.000 2.347 120 D HA 0.006 4.646 4.640 -0.001 0.000 0.213 120 D C -0.023 176.144 176.300 -0.220 0.000 0.985 120 D CA 0.471 54.347 54.000 -0.207 0.000 0.879 120 D CB 0.042 40.747 40.800 -0.160 0.000 0.919 120 D HN 0.329 nan 8.370 nan 0.000 0.526 121 N N 0.660 119.232 118.700 -0.213 0.000 2.716 121 N HA 0.144 4.884 4.740 -0.001 0.000 0.253 121 N C -2.221 173.246 175.510 -0.072 0.000 1.170 121 N CA -1.037 51.929 53.050 -0.141 0.000 0.807 121 N CB 2.348 40.732 38.487 -0.172 0.000 1.183 121 N HN -0.123 nan 8.380 nan 0.000 0.524 122 P HA -0.088 nan 4.420 nan 0.000 0.221 122 P C 1.006 178.319 177.300 0.022 0.000 1.145 122 P CA 1.164 64.243 63.100 -0.035 0.000 0.795 122 P CB 0.577 32.253 31.700 -0.040 0.000 0.775 123 E N -1.597 118.646 120.200 0.072 0.000 2.385 123 E HA 0.046 4.396 4.350 -0.001 0.000 0.194 123 E C 0.868 177.598 176.600 0.218 0.000 1.013 123 E CA 0.118 56.612 56.400 0.157 0.000 0.866 123 E CB -0.428 29.401 29.700 0.216 0.000 0.832 123 E HN 0.239 nan 8.360 nan 0.000 0.500 124 M N 1.667 121.326 119.600 0.099 0.000 2.245 124 M HA 0.048 4.528 4.480 -0.001 0.000 0.344 124 M C -0.261 176.011 176.300 -0.047 0.000 1.170 124 M CA 0.313 55.557 55.300 -0.093 0.000 1.135 124 M CB 0.383 32.933 32.600 -0.084 0.000 1.574 124 M HN -0.353 nan 8.290 nan 0.000 0.452 125 K N 3.377 123.715 120.400 -0.103 0.000 2.400 125 K HA 0.668 4.987 4.320 -0.001 0.000 0.246 125 K C -1.671 174.970 176.600 0.067 0.000 0.995 125 K CA -0.482 55.809 56.287 0.007 0.000 0.840 125 K CB 2.043 34.573 32.500 0.050 0.000 1.293 125 K HN 0.665 nan 8.250 nan 0.000 0.445 126 F N 1.410 121.268 119.950 -0.154 0.000 2.639 126 F HA 0.405 4.931 4.527 -0.001 0.000 0.320 126 F C -1.447 174.239 175.800 -0.190 0.000 1.128 126 F CA -1.241 56.654 58.000 -0.175 0.000 1.037 126 F CB 0.942 39.911 39.000 -0.051 0.000 1.288 126 F HN 0.458 nan 8.300 nan 0.000 0.463 127 I N 2.182 122.362 120.570 -0.650 0.000 2.562 127 I HA 0.613 4.782 4.170 -0.001 0.000 0.301 127 I C -1.672 173.993 176.117 -0.754 0.000 1.003 127 I CA -0.592 60.313 61.300 -0.658 0.000 1.127 127 I CB 2.415 39.984 38.000 -0.718 0.000 1.304 127 I HN 0.698 nan 8.210 nan 0.000 0.446 128 W N 4.690 125.580 121.300 -0.683 0.000 2.957 128 W HA 0.627 5.287 4.660 -0.001 0.000 0.336 128 W C -0.698 175.737 176.519 -0.139 0.000 1.087 128 W CA -0.554 56.528 57.345 -0.439 0.000 1.235 128 W CB 2.670 31.928 29.460 -0.337 0.000 1.399 128 W HN 0.796 nan 8.180 nan 0.000 0.480 129 A N 3.498 125.954 122.820 -0.606 0.000 1.963 129 A HA 0.144 4.463 4.320 -0.001 0.000 0.207 129 A C 0.032 177.563 177.584 -0.088 0.000 1.243 129 A CA 0.551 52.464 52.037 -0.207 0.000 0.728 129 A CB -0.017 18.925 19.000 -0.097 0.000 0.895 129 A HN 0.513 nan 8.150 nan 0.000 0.467 130 E N 1.042 121.073 120.200 -0.282 0.000 1.963 130 E HA 0.302 4.652 4.350 -0.001 0.000 0.274 130 E C 0.444 177.202 176.600 0.265 0.000 1.061 130 E CA -0.292 56.114 56.400 0.009 0.000 0.847 130 E CB 0.723 30.422 29.700 -0.003 0.000 1.083 130 E HN 0.283 nan 8.360 nan 0.000 0.402 131 I N 1.461 122.093 120.570 0.104 0.000 2.546 131 I HA -0.211 3.958 4.170 -0.001 0.000 0.255 131 I C 2.019 177.822 176.117 -0.524 0.000 1.163 131 I CA 0.958 62.251 61.300 -0.012 0.000 1.457 131 I CB -1.446 36.591 38.000 0.061 0.000 1.092 131 I HN 0.420 nan 8.210 nan 0.000 0.434 132 S N 1.188 116.268 115.700 -1.034 0.000 2.365 132 S HA -0.279 4.191 4.470 -0.001 0.000 0.225 132 S C 2.163 176.489 174.600 -0.455 0.000 1.039 132 S CA 1.359 58.568 58.200 -1.653 0.000 1.033 132 S CB -1.099 61.181 63.200 -1.534 0.000 0.887 132 S HN 0.362 nan 8.310 nan 0.000 0.447 133 Y N 0.661 121.006 120.300 0.077 0.000 2.200 133 Y HA 0.104 4.653 4.550 -0.001 0.000 0.290 133 Y C 2.251 178.237 175.900 0.143 0.000 1.137 133 Y CA 0.524 58.767 58.100 0.238 0.000 1.163 133 Y CB -0.965 37.725 38.460 0.384 0.000 0.988 133 Y HN 0.325 nan 8.280 nan 0.000 0.518 134 F N -0.076 119.972 119.950 0.164 0.000 2.134 134 F HA -0.185 4.341 4.527 -0.001 0.000 0.299 134 F C 2.354 177.989 175.800 -0.274 0.000 1.097 134 F CA 1.295 59.260 58.000 -0.059 0.000 1.264 134 F CB -0.494 38.464 39.000 -0.070 0.000 1.001 134 F HN -0.012 nan 8.300 nan 0.000 0.479 135 A N 0.120 122.597 122.820 -0.573 0.000 1.902 135 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 135 A C 2.146 179.636 177.584 -0.158 0.000 1.181 135 A CA 1.784 53.319 52.037 -0.838 0.000 0.623 135 A CB -0.754 17.651 19.000 -0.993 0.000 0.818 135 A HN 0.377 nan 8.150 nan 0.000 0.443 136 R N -0.946 119.499 120.500 -0.092 0.000 2.091 136 R HA -0.150 4.189 4.340 -0.001 0.000 0.238 136 R C 1.748 178.002 176.300 -0.076 0.000 1.136 136 R CA 2.120 58.175 56.100 -0.075 0.000 0.959 136 R CB -0.902 29.311 30.300 -0.145 0.000 0.856 136 R HN 0.495 nan 8.270 nan 0.000 0.437 137 F N -0.303 119.570 119.950 -0.129 0.000 2.098 137 F HA -0.112 4.414 4.527 -0.001 0.000 0.294 137 F C 1.994 177.713 175.800 -0.135 0.000 1.107 137 F CA 1.655 59.638 58.000 -0.027 0.000 1.234 137 F CB -0.880 38.035 39.000 -0.142 0.000 1.002 137 F HN 0.133 nan 8.300 nan 0.000 0.472 138 Y N 0.372 120.472 120.300 -0.332 0.000 2.151 138 Y HA -0.322 4.228 4.550 -0.001 0.000 0.284 138 Y C 2.683 178.383 175.900 -0.333 0.000 1.166 138 Y CA 2.386 60.272 58.100 -0.356 0.000 1.163 138 Y CB -0.683 37.701 38.460 -0.126 0.000 0.974 138 Y HN 0.158 nan 8.280 nan 0.000 0.511 139 H N -0.869 118.190 119.070 -0.019 0.000 2.495 139 H HA -0.074 4.482 4.556 -0.001 0.000 0.287 139 H C 1.160 176.375 175.328 -0.187 0.000 1.033 139 H CA 1.390 57.385 56.048 -0.089 0.000 1.307 139 H CB -0.122 29.665 29.762 0.041 0.000 1.401 139 H HN 0.447 nan 8.280 nan 0.000 0.555 140 D N 0.323 120.638 120.400 -0.141 0.000 2.355 140 D HA 0.043 4.682 4.640 -0.001 0.000 0.218 140 D C 0.613 176.731 176.300 -0.304 0.000 1.004 140 D CA 0.139 54.033 54.000 -0.177 0.000 0.880 140 D CB 0.178 40.908 40.800 -0.116 0.000 0.911 140 D HN 0.213 nan 8.370 nan 0.000 0.528 141 L N 0.498 121.448 121.223 -0.455 0.000 2.371 141 L HA 0.324 4.663 4.340 -0.001 0.000 0.272 141 L C 1.380 178.066 176.870 -0.306 0.000 1.124 141 L CA -0.661 53.909 54.840 -0.450 0.000 0.816 141 L CB 1.058 42.780 42.059 -0.562 0.000 1.129 141 L HN -0.043 nan 8.230 nan 0.000 0.448 142 G N 0.825 109.493 108.800 -0.220 0.000 2.594 142 G HA2 0.018 3.977 3.960 -0.001 0.000 0.243 142 G HA3 0.018 3.977 3.960 -0.001 0.000 0.243 142 G C 0.661 175.471 174.900 -0.150 0.000 1.229 142 G CA -0.282 44.728 45.100 -0.151 0.000 0.843 142 G HN 0.798 nan 8.290 nan 0.000 0.578 143 E N 0.513 120.652 120.200 -0.101 0.000 2.118 143 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 143 E C 2.269 178.839 176.600 -0.050 0.000 0.992 143 E CA 1.669 58.028 56.400 -0.068 0.000 0.804 143 E CB -0.022 29.660 29.700 -0.030 0.000 0.741 143 E HN 0.534 nan 8.360 nan 0.000 0.458 144 N N 0.281 118.948 118.700 -0.054 0.000 2.084 144 N HA -0.146 4.593 4.740 -0.001 0.000 0.190 144 N C 1.545 177.023 175.510 -0.053 0.000 1.030 144 N CA 1.132 54.155 53.050 -0.045 0.000 0.849 144 N CB -0.174 38.282 38.487 -0.051 0.000 1.012 144 N HN 0.119 nan 8.380 nan 0.000 0.423 145 K N 1.592 121.945 120.400 -0.079 0.000 2.097 145 K HA -0.001 4.319 4.320 -0.001 0.000 0.205 145 K C 1.938 178.519 176.600 -0.031 0.000 1.050 145 K CA 0.693 56.935 56.287 -0.074 0.000 0.938 145 K CB -0.180 32.252 32.500 -0.113 0.000 0.718 145 K HN 0.270 nan 8.250 nan 0.000 0.442 146 K N 0.823 121.178 120.400 -0.075 0.000 2.063 146 K HA -0.081 4.238 4.320 -0.001 0.000 0.208 146 K C 2.273 178.960 176.600 0.145 0.000 1.048 146 K CA 1.103 57.390 56.287 0.000 0.000 0.928 146 K CB -0.198 32.215 32.500 -0.146 0.000 0.713 146 K HN 0.047 nan 8.250 nan 0.000 0.442 147 L N 0.936 122.207 121.223 0.079 0.000 2.056 147 L HA -0.211 4.128 4.340 -0.001 0.000 0.207 147 L C 2.570 179.497 176.870 0.096 0.000 1.078 147 L CA 1.272 56.168 54.840 0.093 0.000 0.749 147 L CB -0.427 41.665 42.059 0.055 0.000 0.901 147 L HN 0.252 nan 8.230 nan 0.000 0.433 148 Q N -0.800 119.035 119.800 0.059 0.000 2.135 148 Q HA -0.276 4.064 4.340 -0.001 0.000 0.204 148 Q C 2.215 178.288 176.000 0.122 0.000 0.981 148 Q CA 1.788 57.626 55.803 0.057 0.000 0.856 148 Q CB -0.178 28.530 28.738 -0.049 0.000 0.902 148 Q HN 0.356 nan 8.270 nan 0.000 0.425 149 M N 1.002 120.703 119.600 0.169 0.000 2.099 149 M HA -0.145 4.335 4.480 -0.001 0.000 0.262 149 M C 1.582 178.048 176.300 0.278 0.000 1.067 149 M CA 1.757 57.218 55.300 0.269 0.000 1.124 149 M CB 0.038 32.880 32.600 0.404 0.000 1.353 149 M HN -0.098 nan 8.290 nan 0.000 0.410 150 K N -1.073 119.485 120.400 0.263 0.000 2.097 150 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 150 K C 2.280 178.971 176.600 0.152 0.000 1.049 150 K CA 1.537 57.954 56.287 0.216 0.000 0.933 150 K CB -0.419 32.195 32.500 0.189 0.000 0.717 150 K HN 0.393 nan 8.250 nan 0.000 0.442 151 S N 1.569 117.349 115.700 0.134 0.000 2.355 151 S HA -0.106 4.363 4.470 -0.001 0.000 0.222 151 S C 1.970 176.624 174.600 0.091 0.000 1.031 151 S CA 1.229 59.491 58.200 0.103 0.000 0.993 151 S CB -0.242 63.020 63.200 0.104 0.000 0.859 151 S HN 0.393 nan 8.310 nan 0.000 0.453 152 I N -0.704 119.929 120.570 0.105 0.000 2.830 152 I HA 0.036 4.206 4.170 -0.001 0.000 0.263 152 I C 1.823 177.969 176.117 0.049 0.000 1.230 152 I CA 0.723 62.066 61.300 0.072 0.000 1.480 152 I CB -0.320 37.723 38.000 0.071 0.000 1.095 152 I HN 0.106 nan 8.210 nan 0.000 0.455 153 V N 1.376 121.338 119.914 0.080 0.000 2.379 153 V HA -0.174 3.946 4.120 -0.001 0.000 0.243 153 V C 2.693 178.820 176.094 0.055 0.000 1.035 153 V CA 1.903 64.239 62.300 0.060 0.000 1.035 153 V CB -0.681 31.243 31.823 0.168 0.000 0.673 153 V HN 0.404 nan 8.190 nan 0.000 0.457 154 K N 1.524 121.966 120.400 0.070 0.000 2.074 154 K HA -0.265 4.054 4.320 -0.001 0.000 0.209 154 K C 1.821 178.438 176.600 0.028 0.000 1.048 154 K CA 2.126 58.442 56.287 0.048 0.000 0.926 154 K CB -0.273 32.258 32.500 0.051 0.000 0.713 154 K HN 0.675 nan 8.250 nan 0.000 0.444 155 N N -0.685 118.031 118.700 0.027 0.000 2.521 155 N HA -0.023 4.716 4.740 -0.001 0.000 0.188 155 N C 0.928 176.439 175.510 0.003 0.000 1.146 155 N CA 1.271 54.329 53.050 0.014 0.000 0.893 155 N CB 0.299 38.795 38.487 0.015 0.000 0.975 155 N HN 0.373 nan 8.380 nan 0.000 0.451 156 G N -0.456 108.342 108.800 -0.004 0.000 2.176 156 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.253 156 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.253 156 G C 0.824 175.705 174.900 -0.031 0.000 0.979 156 G CA 0.454 45.539 45.100 -0.023 0.000 0.641 156 G HN 0.454 nan 8.290 nan 0.000 0.530 157 Q N -1.233 118.557 119.800 -0.017 0.000 2.083 157 Q HA 0.179 4.518 4.340 -0.001 0.000 0.198 157 Q C 1.165 177.150 176.000 -0.026 0.000 0.969 157 Q CA 1.118 56.914 55.803 -0.011 0.000 0.838 157 Q CB 0.135 28.873 28.738 -0.001 0.000 0.900 157 Q HN 0.566 nan 8.270 nan 0.000 0.436 158 L N 1.243 122.430 121.223 -0.060 0.000 2.272 158 L HA 0.281 4.620 4.340 -0.001 0.000 0.289 158 L C -0.931 175.746 176.870 -0.322 0.000 1.032 158 L CA -0.030 54.721 54.840 -0.149 0.000 0.810 158 L CB 1.426 43.401 42.059 -0.139 0.000 1.205 158 L HN -0.066 nan 8.230 nan 0.000 0.422 159 E N 4.243 124.215 120.200 -0.380 0.000 2.210 159 E HA 0.372 4.721 4.350 -0.001 0.000 0.266 159 E C -1.492 174.836 176.600 -0.452 0.000 0.883 159 E CA -0.726 55.464 56.400 -0.350 0.000 0.761 159 E CB 1.000 30.577 29.700 -0.205 0.000 1.156 159 E HN 0.487 nan 8.360 nan 0.000 0.412 160 F N 3.216 123.113 119.950 -0.089 0.000 2.410 160 F HA 0.238 4.764 4.527 -0.001 0.000 0.348 160 F C 0.263 176.029 175.800 -0.057 0.000 1.106 160 F CA -0.577 57.383 58.000 -0.067 0.000 1.163 160 F CB 1.281 40.254 39.000 -0.044 0.000 1.129 160 F HN 0.187 nan 8.300 nan 0.000 0.516 161 V N 0.012 119.986 119.914 0.100 0.000 2.459 161 V HA 0.629 4.748 4.120 -0.001 0.000 0.295 161 V C 0.297 176.522 176.094 0.217 0.000 1.029 161 V CA -0.521 61.837 62.300 0.098 0.000 0.874 161 V CB 0.875 32.647 31.823 -0.085 0.000 0.985 161 V HN 0.985 nan 8.190 nan 0.000 0.438 162 T N 3.214 117.970 114.554 0.337 0.000 12.763 162 T HA -0.321 4.028 4.350 -0.001 0.000 0.419 162 T C 1.727 176.653 174.700 0.377 0.000 1.443 162 T CA 2.976 65.322 62.100 0.410 0.000 2.376 162 T CB -1.684 67.326 68.868 0.237 0.000 2.832 162 T HN 2.792 nan 8.240 nan 0.000 0.739 163 G N 1.940 110.899 108.800 0.264 0.000 2.137 163 G HA2 0.117 4.076 3.960 -0.001 0.000 0.237 163 G HA3 0.117 4.076 3.960 -0.001 0.000 0.237 163 G C 0.269 175.306 174.900 0.229 0.000 1.002 163 G CA 0.532 45.761 45.100 0.214 0.000 0.702 163 G HN 1.557 nan 8.290 nan 0.000 0.515 164 G N -1.581 107.355 108.800 0.227 0.000 2.539 164 G HA2 0.362 4.321 3.960 -0.001 0.000 0.258 164 G HA3 0.362 4.321 3.960 -0.001 0.000 0.258 164 G C 0.997 176.070 174.900 0.290 0.000 1.202 164 G CA 0.184 45.430 45.100 0.243 0.000 0.851 164 G HN 0.356 nan 8.290 nan 0.000 0.556 165 W N 0.819 122.164 121.300 0.076 0.000 2.308 165 W HA -0.095 4.565 4.660 -0.001 0.000 0.301 165 W C 0.698 177.251 176.519 0.058 0.000 1.220 165 W CA 2.016 59.392 57.345 0.052 0.000 1.240 165 W CB 0.231 29.705 29.460 0.024 0.000 1.142 165 W HN 0.421 nan 8.180 nan 0.000 0.521 166 V N -2.985 117.050 119.914 0.201 0.000 3.105 166 V HA 0.493 4.612 4.120 -0.001 0.000 0.311 166 V C -0.448 175.735 176.094 0.148 0.000 1.287 166 V CA -1.265 61.103 62.300 0.113 0.000 1.066 166 V CB 1.729 33.640 31.823 0.146 0.000 1.105 166 V HN -0.065 nan 8.190 nan 0.000 0.462 167 M N 3.878 123.592 119.600 0.191 0.000 2.208 167 M HA 0.501 4.980 4.480 -0.001 0.000 0.352 167 M C -2.682 173.778 176.300 0.265 0.000 1.137 167 M CA -1.925 53.504 55.300 0.215 0.000 1.091 167 M CB 1.300 34.052 32.600 0.254 0.000 1.309 167 M HN 0.632 nan 8.290 nan 0.000 0.408 168 P HA 0.086 nan 4.420 nan 0.000 0.274 168 P C -0.884 176.424 177.300 0.014 0.000 1.231 168 P CA -0.112 63.037 63.100 0.081 0.000 0.790 168 P CB 0.487 32.222 31.700 0.059 0.000 0.951 169 D N 1.064 121.430 120.400 -0.058 0.000 2.506 169 D HA -0.100 4.539 4.640 -0.001 0.000 0.234 169 D C 0.677 176.988 176.300 0.019 0.000 1.143 169 D CA 0.756 54.704 54.000 -0.087 0.000 0.871 169 D CB 0.428 41.189 40.800 -0.066 0.000 1.190 169 D HN 0.316 nan 8.370 nan 0.000 0.459 170 E N 1.649 121.907 120.200 0.097 0.000 2.498 170 E HA 0.192 4.542 4.350 -0.001 0.000 0.203 170 E C 0.902 177.684 176.600 0.304 0.000 1.013 170 E CA 0.055 56.580 56.400 0.209 0.000 0.927 170 E CB 0.658 30.501 29.700 0.237 0.000 1.012 170 E HN 0.479 nan 8.360 nan 0.000 0.482 171 A N 1.548 124.498 122.820 0.216 0.000 1.887 171 A HA 0.010 4.330 4.320 -0.001 0.000 0.210 171 A C 1.840 179.315 177.584 -0.182 0.000 1.221 171 A CA 0.546 52.485 52.037 -0.163 0.000 0.635 171 A CB -0.018 18.846 19.000 -0.226 0.000 0.881 171 A HN 0.039 nan 8.150 nan 0.000 0.456 172 N N 0.940 119.619 118.700 -0.034 0.000 2.415 172 N HA -0.012 4.727 4.740 -0.001 0.000 0.176 172 N C 0.552 176.052 175.510 -0.017 0.000 1.042 172 N CA 0.814 53.842 53.050 -0.038 0.000 0.902 172 N CB -0.107 38.401 38.487 0.035 0.000 0.986 172 N HN 0.505 nan 8.380 nan 0.000 0.447 173 S N 0.991 116.691 115.700 0.001 0.000 2.549 173 S HA 0.003 4.472 4.470 -0.001 0.000 0.283 173 S C 0.062 174.675 174.600 0.022 0.000 1.320 173 S CA -0.561 57.649 58.200 0.016 0.000 1.058 173 S CB 0.945 64.157 63.200 0.021 0.000 0.882 173 S HN 0.211 nan 8.310 nan 0.000 0.498 174 H N 3.799 122.843 119.070 -0.044 0.000 2.683 174 H HA 0.016 4.572 4.556 -0.001 0.000 0.339 174 H C 1.343 176.626 175.328 -0.074 0.000 1.081 174 H CA -0.103 55.900 56.048 -0.075 0.000 1.432 174 H CB 0.469 30.138 29.762 -0.155 0.000 1.462 174 H HN 1.034 nan 8.280 nan 0.000 0.557 175 W N 6.069 127.283 121.300 -0.143 0.000 2.325 175 W HA -0.223 4.437 4.660 -0.001 0.000 0.299 175 W C 1.096 177.678 176.519 0.106 0.000 1.215 175 W CA 0.611 57.939 57.345 -0.029 0.000 1.244 175 W CB -0.507 28.872 29.460 -0.135 0.000 1.140 175 W HN 0.543 nan 8.180 nan 0.000 0.523 176 R N 0.766 120.815 120.500 -0.752 0.000 2.081 176 R HA -0.146 4.193 4.340 -0.001 0.000 0.235 176 R C 2.073 178.186 176.300 -0.312 0.000 1.131 176 R CA 1.974 57.569 56.100 -0.842 0.000 0.960 176 R CB -0.488 29.278 30.300 -0.890 0.000 0.856 176 R HN 0.151 nan 8.270 nan 0.000 0.436 177 N N -0.095 118.508 118.700 -0.161 0.000 2.300 177 N HA -0.071 4.668 4.740 -0.001 0.000 0.179 177 N C 1.776 177.280 175.510 -0.009 0.000 1.016 177 N CA 0.795 53.802 53.050 -0.071 0.000 0.876 177 N CB -0.121 38.348 38.487 -0.030 0.000 0.979 177 N HN -0.004 nan 8.380 nan 0.000 0.432 178 V N 1.467 121.398 119.914 0.028 0.000 2.295 178 V HA -0.186 3.933 4.120 -0.001 0.000 0.246 178 V C 2.351 178.485 176.094 0.066 0.000 1.049 178 V CA 1.127 63.465 62.300 0.064 0.000 1.024 178 V CB -0.530 31.351 31.823 0.098 0.000 0.648 178 V HN 0.197 nan 8.190 nan 0.000 0.447 179 L N -0.338 120.931 121.223 0.077 0.000 2.046 179 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 179 L C 2.194 179.072 176.870 0.013 0.000 1.077 179 L CA 1.831 56.712 54.840 0.068 0.000 0.747 179 L CB -0.704 41.427 42.059 0.120 0.000 0.896 179 L HN 0.282 nan 8.230 nan 0.000 0.432 180 L N -0.074 121.134 121.223 -0.026 0.000 2.012 180 L HA -0.261 4.078 4.340 -0.001 0.000 0.210 180 L C 2.594 179.452 176.870 -0.020 0.000 1.073 180 L CA 2.421 57.236 54.840 -0.041 0.000 0.748 180 L CB -0.842 41.174 42.059 -0.073 0.000 0.891 180 L HN 0.695 nan 8.230 nan 0.000 0.431 181 Q N -1.132 118.678 119.800 0.016 0.000 2.172 181 Q HA -0.186 4.154 4.340 -0.001 0.000 0.200 181 Q C 2.020 178.102 176.000 0.137 0.000 0.964 181 Q CA 1.977 57.825 55.803 0.075 0.000 0.855 181 Q CB -1.180 27.640 28.738 0.137 0.000 0.918 181 Q HN 0.450 nan 8.270 nan 0.000 0.444 182 L N 0.936 122.224 121.223 0.110 0.000 2.017 182 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 182 L C 1.943 178.893 176.870 0.134 0.000 1.073 182 L CA 2.514 57.432 54.840 0.132 0.000 0.745 182 L CB -1.082 41.033 42.059 0.093 0.000 0.894 182 L HN 0.352 nan 8.230 nan 0.000 0.432 183 T N -0.965 113.636 114.554 0.078 0.000 2.746 183 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 183 T C 1.730 176.481 174.700 0.086 0.000 1.039 183 T CA 1.443 63.582 62.100 0.065 0.000 1.142 183 T CB -0.189 68.689 68.868 0.018 0.000 0.866 183 T HN 0.329 nan 8.240 nan 0.000 0.444 184 E N 0.977 121.200 120.200 0.039 0.000 2.058 184 E HA -0.057 4.293 4.350 -0.001 0.000 0.194 184 E C 2.334 179.052 176.600 0.197 0.000 0.997 184 E CA 1.586 57.960 56.400 -0.043 0.000 0.801 184 E CB -0.870 28.607 29.700 -0.370 0.000 0.746 184 E HN 0.456 nan 8.360 nan 0.000 0.450 185 G N -0.147 108.872 108.800 0.365 0.000 2.404 185 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.215 185 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.215 185 G C 1.485 176.601 174.900 0.360 0.000 1.174 185 G CA 0.672 46.070 45.100 0.496 0.000 0.780 185 G HN 0.266 nan 8.290 nan 0.000 0.537 186 Q N -0.153 119.797 119.800 0.249 0.000 2.172 186 Q HA -0.059 4.281 4.340 -0.001 0.000 0.200 186 Q C 2.798 178.894 176.000 0.160 0.000 0.964 186 Q CA 1.445 57.355 55.803 0.178 0.000 0.855 186 Q CB -0.238 28.587 28.738 0.145 0.000 0.918 186 Q HN 0.404 nan 8.270 nan 0.000 0.444 187 T N 0.262 114.922 114.554 0.177 0.000 2.746 187 T HA -0.187 4.162 4.350 -0.001 0.000 0.267 187 T C 1.099 175.902 174.700 0.173 0.000 1.039 187 T CA 1.093 63.276 62.100 0.137 0.000 1.142 187 T CB -0.385 68.558 68.868 0.124 0.000 0.866 187 T HN 0.466 nan 8.240 nan 0.000 0.444 188 W N 1.673 123.070 121.300 0.161 0.000 2.333 188 W HA -0.095 4.565 4.660 -0.001 0.000 0.316 188 W C 1.828 178.462 176.519 0.192 0.000 1.215 188 W CA 1.054 58.573 57.345 0.291 0.000 1.278 188 W CB -0.488 29.212 29.460 0.400 0.000 1.154 188 W HN 0.148 nan 8.180 nan 0.000 0.486 189 L N 0.552 121.998 121.223 0.371 0.000 2.042 189 L HA -0.266 4.073 4.340 -0.001 0.000 0.210 189 L C 2.632 179.436 176.870 -0.109 0.000 1.076 189 L CA 1.894 56.767 54.840 0.056 0.000 0.749 189 L CB -1.017 41.012 42.059 -0.051 0.000 0.893 189 L HN -0.003 nan 8.230 nan 0.000 0.432 190 K N 0.012 120.370 120.400 -0.071 0.000 2.057 190 K HA -0.267 4.052 4.320 -0.001 0.000 0.207 190 K C 2.207 178.672 176.600 -0.224 0.000 1.049 190 K CA 1.700 57.919 56.287 -0.113 0.000 0.931 190 K CB -0.040 32.418 32.500 -0.069 0.000 0.714 190 K HN 0.276 nan 8.250 nan 0.000 0.440 191 Q N -0.891 118.702 119.800 -0.344 0.000 2.079 191 Q HA -0.139 4.200 4.340 -0.001 0.000 0.200 191 Q C 1.465 176.971 176.000 -0.824 0.000 0.974 191 Q CA 1.685 57.115 55.803 -0.621 0.000 0.840 191 Q CB 0.072 28.301 28.738 -0.849 0.000 0.898 191 Q HN 0.296 nan 8.270 nan 0.000 0.430 192 F N -1.514 118.061 119.950 -0.625 0.000 2.622 192 F HA 0.124 4.650 4.527 -0.001 0.000 0.288 192 F C 1.560 177.057 175.800 -0.504 0.000 1.120 192 F CA 0.198 57.755 58.000 -0.739 0.000 1.423 192 F CB 0.443 38.515 39.000 -1.547 0.000 1.127 192 F HN 0.095 nan 8.300 nan 0.000 0.588 193 M N -0.967 118.487 119.600 -0.243 0.000 2.308 193 M HA 0.233 4.713 4.480 -0.001 0.000 0.269 193 M C 0.322 176.607 176.300 -0.025 0.000 1.040 193 M CA 0.109 55.376 55.300 -0.055 0.000 1.024 193 M CB -1.183 31.419 32.600 0.003 0.000 1.465 193 M HN 0.085 nan 8.290 nan 0.000 0.517 194 N N 2.087 120.734 118.700 -0.088 0.000 2.727 194 N HA -0.136 4.604 4.740 -0.001 0.000 0.249 194 N C -0.961 174.532 175.510 -0.029 0.000 1.048 194 N CA 0.755 53.767 53.050 -0.063 0.000 0.714 194 N CB -0.885 37.577 38.487 -0.042 0.000 0.959 194 N HN 0.392 nan 8.380 nan 0.000 0.544 195 V N -3.726 116.172 119.914 -0.027 0.000 2.971 195 V HA 0.854 4.974 4.120 -0.001 0.000 0.309 195 V C -0.055 176.024 176.094 -0.025 0.000 1.130 195 V CA -0.482 61.816 62.300 -0.003 0.000 0.964 195 V CB 2.339 34.204 31.823 0.070 0.000 1.029 195 V HN 0.059 nan 8.190 nan 0.000 0.427 196 T N 4.177 118.705 114.554 -0.043 0.000 2.892 196 T HA 0.576 4.925 4.350 -0.001 0.000 0.311 196 T C -2.758 171.856 174.700 -0.144 0.000 1.033 196 T CA -0.847 61.206 62.100 -0.078 0.000 0.991 196 T CB 1.300 70.112 68.868 -0.093 0.000 0.981 196 T HN 0.775 nan 8.240 nan 0.000 0.457 197 P HA 0.137 nan 4.420 nan 0.000 0.265 197 P C 0.888 177.792 177.300 -0.660 0.000 1.193 197 P CA -0.089 62.887 63.100 -0.205 0.000 0.765 197 P CB 0.501 32.195 31.700 -0.009 0.000 0.823 198 T N -1.148 113.089 114.554 -0.528 0.000 3.044 198 T HA 0.509 4.858 4.350 -0.001 0.000 0.260 198 T C 0.446 174.963 174.700 -0.304 0.000 1.019 198 T CA -0.262 61.413 62.100 -0.708 0.000 0.921 198 T CB 0.194 68.850 68.868 -0.354 0.000 1.053 198 T HN 0.400 nan 8.240 nan 0.000 0.533 199 A N 0.864 123.657 122.820 -0.045 0.000 2.342 199 A HA 0.791 5.110 4.320 -0.001 0.000 0.323 199 A C -0.145 177.702 177.584 0.439 0.000 1.125 199 A CA -0.704 51.461 52.037 0.213 0.000 0.785 199 A CB 1.765 20.900 19.000 0.224 0.000 1.221 199 A HN 0.257 nan 8.150 nan 0.000 0.463 200 S N 2.068 118.013 115.700 0.408 0.000 2.549 200 S HA 0.675 5.144 4.470 -0.001 0.000 0.297 200 S C -1.173 173.612 174.600 0.308 0.000 1.115 200 S CA -0.432 57.951 58.200 0.305 0.000 1.059 200 S CB 0.770 63.973 63.200 0.004 0.000 1.046 200 S HN 0.800 nan 8.310 nan 0.000 0.506 201 W N 4.646 125.961 121.300 0.024 0.000 2.499 201 W HA 0.632 5.292 4.660 -0.001 0.000 0.320 201 W C -1.438 175.028 176.519 -0.088 0.000 1.010 201 W CA -0.828 56.486 57.345 -0.052 0.000 1.267 201 W CB 1.131 30.535 29.460 -0.093 0.000 1.316 201 W HN 0.778 nan 8.180 nan 0.000 0.431 202 A N 7.852 130.487 122.820 -0.307 0.000 3.030 202 A HA 0.261 4.580 4.320 -0.001 0.000 0.335 202 A C 0.393 177.712 177.584 -0.441 0.000 1.089 202 A CA -0.457 51.416 52.037 -0.274 0.000 0.807 202 A CB -0.463 18.494 19.000 -0.071 0.000 1.099 202 A HN 0.704 nan 8.150 nan 0.000 0.474 203 I N -2.409 117.713 120.570 -0.748 0.000 3.419 203 I HA 0.319 4.489 4.170 -0.001 0.000 0.286 203 I C 1.264 177.065 176.117 -0.527 0.000 1.268 203 I CA 1.288 62.123 61.300 -0.775 0.000 1.414 203 I CB 0.516 37.798 38.000 -1.195 0.000 1.074 203 I HN 0.333 nan 8.210 nan 0.000 0.457 204 A N 0.414 122.887 122.820 -0.579 0.000 2.141 204 A HA 0.481 4.801 4.320 -0.001 0.000 0.201 204 A C -1.973 175.169 177.584 -0.737 0.000 1.344 204 A CA -0.192 51.470 52.037 -0.625 0.000 0.971 204 A CB -0.798 17.679 19.000 -0.871 0.000 1.035 204 A HN 0.241 nan 8.150 nan 0.000 0.480 205 P HA 0.110 nan 4.420 nan 0.000 0.267 205 P C -0.762 176.089 177.300 -0.748 0.000 1.200 205 P CA 0.382 62.973 63.100 -0.848 0.000 0.772 205 P CB 0.051 31.422 31.700 -0.548 0.000 0.855 206 F N 2.451 122.145 119.950 -0.426 0.000 2.605 206 F HA 0.513 5.039 4.527 -0.001 0.000 0.352 206 F C 1.457 177.176 175.800 -0.134 0.000 1.236 206 F CA -0.582 57.126 58.000 -0.487 0.000 1.267 206 F CB -1.222 37.630 39.000 -0.246 0.000 1.632 206 F HN 0.489 nan 8.300 nan 0.000 0.639 207 G N 1.276 109.806 108.800 -0.450 0.000 2.663 207 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.686 207 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.686 207 G C -1.431 173.103 174.900 -0.610 0.000 1.246 207 G CA -1.167 43.785 45.100 -0.247 0.000 0.795 207 G HN 0.610 nan 8.290 nan 0.000 0.627 208 H N -0.461 118.323 119.070 -0.477 0.000 2.690 208 H HA 0.759 5.315 4.556 -0.001 0.000 0.368 208 H C -0.303 174.896 175.328 -0.216 0.000 1.150 208 H CA 0.017 55.955 56.048 -0.184 0.000 1.174 208 H CB 2.071 31.875 29.762 0.070 0.000 1.684 208 H HN 0.676 nan 8.280 nan 0.000 0.538 209 S N 2.258 118.089 115.700 0.218 0.000 2.501 209 S HA 0.258 4.728 4.470 -0.001 0.000 0.301 209 S C -1.808 172.811 174.600 0.032 0.000 1.096 209 S CA -1.789 56.549 58.200 0.229 0.000 1.063 209 S CB 1.344 64.730 63.200 0.309 0.000 1.042 209 S HN 0.451 nan 8.310 nan 0.000 0.494 210 P HA 0.026 nan 4.420 nan 0.000 0.237 210 P C 1.127 178.168 177.300 -0.432 0.000 1.178 210 P CA 0.672 63.354 63.100 -0.696 0.000 0.766 210 P CB -0.262 31.190 31.700 -0.414 0.000 0.876 211 T N -0.008 114.433 114.554 -0.189 0.000 2.803 211 T HA -0.129 4.220 4.350 -0.001 0.000 0.269 211 T C 1.835 176.491 174.700 -0.074 0.000 1.052 211 T CA 1.329 63.367 62.100 -0.104 0.000 1.136 211 T CB -0.405 68.442 68.868 -0.035 0.000 0.864 211 T HN 0.005 nan 8.240 nan 0.000 0.467 212 M N 0.856 120.367 119.600 -0.147 0.000 2.059 212 M HA -0.003 4.476 4.480 -0.001 0.000 0.259 212 M C -0.564 175.595 176.300 -0.236 0.000 1.072 212 M CA 1.284 56.493 55.300 -0.153 0.000 1.117 212 M CB -2.557 29.978 32.600 -0.108 0.000 1.320 212 M HN 0.142 nan 8.290 nan 0.000 0.408 213 P HA -0.206 nan 4.420 nan 0.000 0.218 213 P C 1.691 178.859 177.300 -0.219 0.000 1.148 213 P CA 1.471 64.374 63.100 -0.328 0.000 0.822 213 P CB -0.431 30.972 31.700 -0.496 0.000 0.784 214 Y N 1.193 121.304 120.300 -0.315 0.000 2.053 214 Y HA -0.237 4.312 4.550 -0.001 0.000 0.277 214 Y C 2.464 178.281 175.900 -0.139 0.000 1.159 214 Y CA 1.805 59.786 58.100 -0.199 0.000 1.125 214 Y CB -1.040 37.321 38.460 -0.166 0.000 0.969 214 Y HN -0.235 nan 8.280 nan 0.000 0.492 215 I N -0.430 120.154 120.570 0.023 0.000 2.202 215 I HA -0.327 3.842 4.170 -0.001 0.000 0.242 215 I C 2.332 178.374 176.117 -0.125 0.000 1.091 215 I CA 1.319 62.602 61.300 -0.028 0.000 1.368 215 I CB -0.474 37.572 38.000 0.076 0.000 1.058 215 I HN 0.281 nan 8.210 nan 0.000 0.410 216 L N 0.050 121.146 121.223 -0.211 0.000 2.046 216 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 216 L C 2.710 179.557 176.870 -0.039 0.000 1.077 216 L CA 1.246 55.886 54.840 -0.334 0.000 0.747 216 L CB -0.730 40.938 42.059 -0.652 0.000 0.896 216 L HN 0.350 nan 8.230 nan 0.000 0.432 217 Q N 1.150 120.895 119.800 -0.093 0.000 2.170 217 Q HA -0.198 4.142 4.340 -0.001 0.000 0.203 217 Q C 1.645 177.601 176.000 -0.074 0.000 0.976 217 Q CA 1.503 57.272 55.803 -0.056 0.000 0.858 217 Q CB 0.108 28.782 28.738 -0.106 0.000 0.907 217 Q HN 0.471 nan 8.270 nan 0.000 0.433 218 K N -0.483 119.831 120.400 -0.143 0.000 2.458 218 K HA 0.109 4.429 4.320 -0.001 0.000 0.194 218 K C 0.656 177.218 176.600 -0.063 0.000 1.024 218 K CA 0.092 56.293 56.287 -0.145 0.000 1.108 218 K CB 0.507 32.851 32.500 -0.260 0.000 0.846 218 K HN -0.083 nan 8.250 nan 0.000 0.518 219 S N -0.181 115.539 115.700 0.033 0.000 2.855 219 S HA 0.203 4.672 4.470 -0.001 0.000 0.249 219 S C 0.741 175.443 174.600 0.170 0.000 1.033 219 S CA 0.061 58.329 58.200 0.113 0.000 1.038 219 S CB 1.315 64.628 63.200 0.188 0.000 0.960 219 S HN 0.523 nan 8.310 nan 0.000 0.548 220 G N 1.252 110.103 108.800 0.085 0.000 2.159 220 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.256 220 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.256 220 G C -0.035 174.838 174.900 -0.045 0.000 0.977 220 G CA -0.300 44.794 45.100 -0.010 0.000 0.652 220 G HN 0.440 nan 8.290 nan 0.000 0.531 221 F N 0.189 120.096 119.950 -0.071 0.000 2.410 221 F HA 0.580 5.106 4.527 -0.001 0.000 0.334 221 F C 1.587 177.326 175.800 -0.102 0.000 1.134 221 F CA -0.086 57.867 58.000 -0.078 0.000 1.227 221 F CB 0.989 39.946 39.000 -0.071 0.000 1.194 221 F HN -0.181 nan 8.300 nan 0.000 0.571 222 K N 0.700 121.117 120.400 0.029 0.000 2.464 222 K HA 0.247 4.567 4.320 -0.001 0.000 0.206 222 K C -0.400 176.135 176.600 -0.107 0.000 1.186 222 K CA 0.265 56.511 56.287 -0.069 0.000 0.990 222 K CB 0.367 32.779 32.500 -0.148 0.000 1.003 222 K HN 0.520 nan 8.250 nan 0.000 0.562 223 N N 0.925 119.537 118.700 -0.147 0.000 2.331 223 N HA 0.405 5.144 4.740 -0.001 0.000 0.280 223 N C -0.845 174.498 175.510 -0.277 0.000 1.155 223 N CA -0.398 52.396 53.050 -0.427 0.000 0.822 223 N CB 2.569 40.235 38.487 -1.368 0.000 1.619 223 N HN -0.063 nan 8.380 nan 0.000 0.476 224 M N -0.297 119.158 119.600 -0.241 0.000 2.575 224 M HA 0.641 5.120 4.480 -0.001 0.000 0.284 224 M C -1.934 174.422 176.300 0.094 0.000 1.253 224 M CA -0.952 54.329 55.300 -0.032 0.000 0.861 224 M CB 2.891 35.465 32.600 -0.043 0.000 1.733 224 M HN 0.459 nan 8.290 nan 0.000 0.462 225 L N 3.535 124.828 121.223 0.117 0.000 2.386 225 L HA 0.862 5.202 4.340 -0.001 0.000 0.271 225 L C -1.459 175.274 176.870 -0.228 0.000 0.993 225 L CA -0.723 54.142 54.840 0.042 0.000 0.819 225 L CB 1.991 44.121 42.059 0.119 0.000 1.294 225 L HN 0.949 nan 8.230 nan 0.000 0.414 226 I N 0.998 121.343 120.570 -0.375 0.000 3.042 226 I HA 0.623 4.792 4.170 -0.001 0.000 0.310 226 I C -0.628 175.176 176.117 -0.522 0.000 1.117 226 I CA -0.567 60.319 61.300 -0.689 0.000 1.003 226 I CB 2.243 39.560 38.000 -1.138 0.000 1.228 226 I HN 0.745 nan 8.210 nan 0.000 0.443 227 Q N 1.893 121.459 119.800 -0.389 0.000 2.506 227 Q HA 0.336 4.675 4.340 -0.001 0.000 0.239 227 Q C 0.079 175.988 176.000 -0.152 0.000 0.782 227 Q CA 0.279 55.939 55.803 -0.237 0.000 0.972 227 Q CB 0.578 29.172 28.738 -0.240 0.000 1.304 227 Q HN 0.653 nan 8.270 nan 0.000 0.534 228 R N 2.160 122.599 120.500 -0.102 0.000 2.891 228 R HA 0.310 4.649 4.340 -0.001 0.000 0.248 228 R C -0.708 175.339 176.300 -0.422 0.000 1.439 228 R CA 0.582 56.349 56.100 -0.556 0.000 1.288 228 R CB 0.211 29.812 30.300 -1.165 0.000 1.212 228 R HN 0.408 nan 8.270 nan 0.000 0.605 229 T N -2.663 111.881 114.554 -0.017 0.000 2.924 229 T HA 0.135 4.484 4.350 -0.001 0.000 0.291 229 T C 0.061 175.017 174.700 0.427 0.000 1.045 229 T CA -0.872 61.348 62.100 0.199 0.000 1.015 229 T CB 1.717 70.565 68.868 -0.034 0.000 1.103 229 T HN 0.391 nan 8.240 nan 0.000 0.496 230 H N 2.026 121.307 119.070 0.352 0.000 3.140 230 H HA -0.073 4.482 4.556 -0.001 0.000 0.316 230 H C 1.097 176.473 175.328 0.080 0.000 0.986 230 H CA 0.592 56.737 56.048 0.163 0.000 1.397 230 H CB 0.251 30.139 29.762 0.210 0.000 1.377 230 H HN 0.926 nan 8.280 nan 0.000 0.585 231 Y N 2.485 122.886 120.300 0.169 0.000 2.298 231 Y HA -0.204 4.345 4.550 -0.001 0.000 0.287 231 Y C 2.190 178.255 175.900 0.275 0.000 1.164 231 Y CA 1.040 59.271 58.100 0.217 0.000 1.229 231 Y CB -0.678 37.852 38.460 0.117 0.000 0.977 231 Y HN 0.296 nan 8.280 nan 0.000 0.538 232 S N 0.259 115.988 115.700 0.048 0.000 2.387 232 S HA -0.111 4.358 4.470 -0.001 0.000 0.226 232 S C 2.088 176.600 174.600 -0.147 0.000 1.026 232 S CA 1.144 59.257 58.200 -0.145 0.000 0.972 232 S CB -0.523 62.334 63.200 -0.572 0.000 0.814 232 S HN 0.374 nan 8.310 nan 0.000 0.477 233 V N 1.912 121.805 119.914 -0.035 0.000 2.307 233 V HA -0.165 3.955 4.120 -0.001 0.000 0.245 233 V C 2.229 178.363 176.094 0.067 0.000 1.045 233 V CA 1.564 63.880 62.300 0.026 0.000 1.024 233 V CB -0.527 31.420 31.823 0.207 0.000 0.651 233 V HN 0.396 nan 8.190 nan 0.000 0.449 234 K N 0.161 120.641 120.400 0.134 0.000 2.034 234 K HA -0.288 4.031 4.320 -0.001 0.000 0.214 234 K C 2.291 179.028 176.600 0.228 0.000 1.051 234 K CA 2.107 58.496 56.287 0.170 0.000 0.931 234 K CB -0.289 32.374 32.500 0.272 0.000 0.715 234 K HN 0.338 nan 8.250 nan 0.000 0.446 235 K N 1.003 121.535 120.400 0.220 0.000 2.026 235 K HA -0.242 4.077 4.320 -0.001 0.000 0.208 235 K C 2.172 178.871 176.600 0.164 0.000 1.048 235 K CA 1.827 58.247 56.287 0.222 0.000 0.929 235 K CB 0.016 32.572 32.500 0.093 0.000 0.713 235 K HN 0.007 nan 8.250 nan 0.000 0.439 236 E N 0.825 121.041 120.200 0.026 0.000 2.051 236 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 236 E C 1.958 178.553 176.600 -0.008 0.000 0.991 236 E CA 1.385 57.758 56.400 -0.045 0.000 0.799 236 E CB -0.173 29.450 29.700 -0.128 0.000 0.748 236 E HN 0.333 nan 8.360 nan 0.000 0.449 237 L N -0.137 121.092 121.223 0.010 0.000 2.093 237 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 237 L C 2.542 179.433 176.870 0.035 0.000 1.085 237 L CA 0.928 55.767 54.840 -0.001 0.000 0.755 237 L CB -0.644 41.400 42.059 -0.026 0.000 0.904 237 L HN 0.207 nan 8.230 nan 0.000 0.435 238 A N -0.145 122.748 122.820 0.122 0.000 1.908 238 A HA -0.274 4.045 4.320 -0.001 0.000 0.218 238 A C 2.232 179.997 177.584 0.303 0.000 1.181 238 A CA 1.698 53.865 52.037 0.218 0.000 0.627 238 A CB -0.531 18.759 19.000 0.482 0.000 0.818 238 A HN 0.473 nan 8.150 nan 0.000 0.445 239 Q N -1.053 118.880 119.800 0.221 0.000 2.181 239 Q HA -0.163 4.177 4.340 -0.001 0.000 0.205 239 Q C 1.367 177.352 176.000 -0.026 0.000 0.980 239 Q CA 1.342 57.118 55.803 -0.045 0.000 0.862 239 Q CB -0.038 28.552 28.738 -0.246 0.000 0.905 239 Q HN 0.625 nan 8.270 nan 0.000 0.429 240 Q N -0.240 119.560 119.800 -0.000 0.000 2.247 240 Q HA 0.141 4.481 4.340 -0.001 0.000 0.204 240 Q C -0.434 175.580 176.000 0.024 0.000 0.872 240 Q CA -0.033 55.768 55.803 -0.004 0.000 0.951 240 Q CB 0.664 29.390 28.738 -0.020 0.000 1.099 240 Q HN 0.278 nan 8.270 nan 0.000 0.501 241 R N 0.949 121.470 120.500 0.035 0.000 3.251 241 R HA -0.214 4.125 4.340 -0.001 0.000 0.249 241 R C -0.174 176.160 176.300 0.057 0.000 0.949 241 R CA 0.475 56.589 56.100 0.022 0.000 0.645 241 R CB -1.907 28.431 30.300 0.063 0.000 1.065 241 R HN 0.396 nan 8.270 nan 0.000 0.452 242 Q N 0.066 119.889 119.800 0.039 0.000 2.186 242 Q HA 0.199 4.539 4.340 -0.001 0.000 0.241 242 Q C 1.227 177.311 176.000 0.141 0.000 0.849 242 Q CA -0.241 55.618 55.803 0.094 0.000 1.053 242 Q CB 0.543 29.297 28.738 0.026 0.000 1.146 242 Q HN 0.443 nan 8.270 nan 0.000 0.475 243 L N 0.073 121.324 121.223 0.047 0.000 2.313 243 L HA 0.033 4.372 4.340 -0.001 0.000 0.214 243 L C 0.331 177.229 176.870 0.046 0.000 1.119 243 L CA 0.968 55.814 54.840 0.010 0.000 0.809 243 L CB 0.316 42.194 42.059 -0.302 0.000 0.933 243 L HN 0.205 nan 8.230 nan 0.000 0.449 244 E N 0.180 120.450 120.200 0.117 0.000 2.158 244 E HA 0.514 4.863 4.350 -0.001 0.000 0.271 244 E C -1.210 175.342 176.600 -0.080 0.000 0.911 244 E CA -0.529 55.754 56.400 -0.194 0.000 0.767 244 E CB 1.504 31.201 29.700 -0.006 0.000 1.120 244 E HN 0.007 nan 8.360 nan 0.000 0.405 245 F N -0.428 119.258 119.950 -0.441 0.000 2.668 245 F HA 0.458 4.985 4.527 -0.001 0.000 0.309 245 F C -1.513 174.156 175.800 -0.218 0.000 1.117 245 F CA -1.407 56.472 58.000 -0.202 0.000 0.951 245 F CB 0.765 39.690 39.000 -0.125 0.000 1.323 245 F HN 0.158 nan 8.300 nan 0.000 0.451 246 L N 2.696 124.058 121.223 0.232 0.000 2.312 246 L HA 0.150 4.489 4.340 -0.001 0.000 0.287 246 L C -1.003 176.088 176.870 0.369 0.000 1.091 246 L CA -0.180 54.797 54.840 0.228 0.000 0.846 246 L CB 0.339 42.539 42.059 0.234 0.000 1.219 246 L HN 0.575 nan 8.230 nan 0.000 0.439 247 W N 6.800 128.198 121.300 0.164 0.000 2.481 247 W HA 0.286 4.945 4.660 -0.001 0.000 0.320 247 W C 0.373 176.917 176.519 0.042 0.000 1.209 247 W CA -1.240 56.227 57.345 0.204 0.000 1.400 247 W CB 0.304 29.918 29.460 0.257 0.000 1.361 247 W HN 0.504 nan 8.180 nan 0.000 0.456 248 R N 3.736 124.408 120.500 0.286 0.000 2.758 248 R HA 0.516 4.856 4.340 -0.001 0.000 0.265 248 R C -0.081 176.128 176.300 -0.152 0.000 1.016 248 R CA -0.894 55.203 56.100 -0.005 0.000 1.040 248 R CB 1.066 31.350 30.300 -0.028 0.000 1.152 248 R HN 0.227 nan 8.270 nan 0.000 0.503 249 Q N 1.631 121.183 119.800 -0.413 0.000 2.392 249 Q HA 0.045 4.385 4.340 -0.001 0.000 0.262 249 Q C 1.488 177.092 176.000 -0.659 0.000 1.003 249 Q CA 0.128 55.479 55.803 -0.753 0.000 0.888 249 Q CB 0.834 28.655 28.738 -1.527 0.000 1.260 249 Q HN 0.851 nan 8.270 nan 0.000 0.435 250 I N -1.747 118.551 120.570 -0.453 0.000 2.423 250 I HA -0.192 3.978 4.170 -0.001 0.000 0.254 250 I C 1.337 177.399 176.117 -0.092 0.000 1.151 250 I CA 1.472 62.665 61.300 -0.178 0.000 1.421 250 I CB -0.396 37.593 38.000 -0.018 0.000 1.079 250 I HN 0.687 nan 8.210 nan 0.000 0.431 251 W N 1.409 122.773 121.300 0.106 0.000 3.278 251 W HA 0.354 5.014 4.660 -0.001 0.000 0.308 251 W C 0.246 176.845 176.519 0.134 0.000 1.253 251 W CA -0.634 56.837 57.345 0.211 0.000 1.759 251 W CB -0.732 28.941 29.460 0.355 0.000 1.093 251 W HN -0.044 nan 8.180 nan 0.000 0.648 252 D N 1.802 122.006 120.400 -0.327 0.000 2.422 252 D HA -0.015 4.624 4.640 -0.001 0.000 0.227 252 D C 1.012 177.292 176.300 -0.033 0.000 1.190 252 D CA 0.084 53.976 54.000 -0.180 0.000 0.905 252 D CB 0.263 40.849 40.800 -0.357 0.000 1.034 252 D HN 0.056 nan 8.370 nan 0.000 0.507 253 N N 3.744 122.482 118.700 0.065 0.000 2.216 253 N HA -0.151 4.589 4.740 -0.001 0.000 0.183 253 N C 1.440 176.971 175.510 0.034 0.000 1.017 253 N CA 1.210 54.291 53.050 0.051 0.000 0.861 253 N CB 0.128 38.666 38.487 0.084 0.000 0.986 253 N HN 0.366 nan 8.380 nan 0.000 0.428 254 K N -1.276 119.149 120.400 0.042 0.000 2.137 254 K HA 0.080 4.399 4.320 -0.001 0.000 0.202 254 K C 0.668 177.283 176.600 0.025 0.000 1.052 254 K CA 1.040 57.348 56.287 0.036 0.000 0.961 254 K CB 0.016 32.543 32.500 0.044 0.000 0.741 254 K HN 0.241 nan 8.250 nan 0.000 0.452 255 G N 0.890 109.696 108.800 0.011 0.000 2.159 255 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.227 255 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.227 255 G C 0.155 175.058 174.900 0.006 0.000 0.986 255 G CA 0.362 45.466 45.100 0.007 0.000 0.651 255 G HN 0.387 nan 8.290 nan 0.000 0.523 256 D N 0.611 121.014 120.400 0.006 0.000 2.310 256 D HA -0.021 4.618 4.640 -0.001 0.000 0.212 256 D C 2.596 178.883 176.300 -0.020 0.000 0.965 256 D CA 1.752 55.753 54.000 0.002 0.000 0.879 256 D CB -0.258 40.550 40.800 0.013 0.000 0.921 256 D HN 0.672 nan 8.370 nan 0.000 0.510 257 T N -2.002 112.528 114.554 -0.039 0.000 3.113 257 T HA 0.293 4.642 4.350 -0.001 0.000 0.256 257 T C 0.991 175.649 174.700 -0.069 0.000 1.131 257 T CA -0.037 62.017 62.100 -0.075 0.000 1.074 257 T CB -0.060 68.744 68.868 -0.108 0.000 0.944 257 T HN 0.072 nan 8.240 nan 0.000 0.516 258 A N 1.444 124.250 122.820 -0.024 0.000 2.546 258 A HA 0.520 4.840 4.320 -0.001 0.000 0.243 258 A C -0.234 177.368 177.584 0.030 0.000 1.063 258 A CA -0.269 51.786 52.037 0.029 0.000 0.757 258 A CB -0.204 18.835 19.000 0.066 0.000 0.991 258 A HN 0.557 nan 8.150 nan 0.000 0.503 259 L N 3.076 124.336 121.223 0.061 0.000 2.409 259 L HA 0.560 4.899 4.340 -0.001 0.000 0.272 259 L C -0.608 176.312 176.870 0.084 0.000 0.980 259 L CA -0.578 54.293 54.840 0.051 0.000 0.826 259 L CB 1.416 43.468 42.059 -0.011 0.000 1.268 259 L HN 0.661 nan 8.230 nan 0.000 0.407 260 F N 3.881 123.789 119.950 -0.069 0.000 2.602 260 F HA 0.366 4.893 4.527 -0.001 0.000 0.385 260 F C 0.046 175.723 175.800 -0.204 0.000 1.063 260 F CA 0.854 58.782 58.000 -0.121 0.000 1.233 260 F CB 0.436 39.384 39.000 -0.086 0.000 1.067 260 F HN 0.565 nan 8.300 nan 0.000 0.564 261 T N 5.333 119.291 114.554 -0.994 0.000 2.881 261 T HA 0.200 4.549 4.350 -0.001 0.000 0.290 261 T C -1.624 172.467 174.700 -1.015 0.000 1.000 261 T CA -0.477 61.126 62.100 -0.827 0.000 0.978 261 T CB 0.901 69.244 68.868 -0.874 0.000 0.997 261 T HN 0.608 nan 8.240 nan 0.000 0.443 262 H N 2.860 121.649 119.070 -0.469 0.000 2.541 262 H HA 0.625 5.180 4.556 -0.001 0.000 0.316 262 H C -0.401 174.744 175.328 -0.304 0.000 1.043 262 H CA -0.735 55.151 56.048 -0.271 0.000 1.232 262 H CB 0.742 30.549 29.762 0.075 0.000 1.406 262 H HN 0.479 nan 8.280 nan 0.000 0.469 263 M N 6.893 126.159 119.600 -0.557 0.000 2.157 263 M HA 0.300 4.780 4.480 -0.001 0.000 0.354 263 M C -0.976 175.057 176.300 -0.444 0.000 1.170 263 M CA -0.603 54.439 55.300 -0.429 0.000 1.060 263 M CB 0.711 33.121 32.600 -0.315 0.000 1.615 263 M HN 0.669 nan 8.290 nan 0.000 0.460 264 M N 6.915 126.348 119.600 -0.278 0.000 2.243 264 M HA 0.198 4.678 4.480 -0.001 0.000 0.341 264 M C -1.601 174.565 176.300 -0.223 0.000 1.130 264 M CA -1.258 53.930 55.300 -0.186 0.000 1.162 264 M CB 0.503 33.024 32.600 -0.131 0.000 1.497 264 M HN 0.477 nan 8.290 nan 0.000 0.456 265 P HA 0.102 nan 4.420 nan 0.000 0.239 265 P C -0.325 176.804 177.300 -0.285 0.000 1.188 265 P CA 0.892 63.698 63.100 -0.489 0.000 0.794 265 P CB 0.343 31.456 31.700 -0.979 0.000 0.937 266 F N -1.768 118.183 119.950 0.002 0.000 2.535 266 F HA 0.296 4.822 4.527 -0.001 0.000 0.367 266 F C 2.007 177.898 175.800 0.153 0.000 1.096 266 F CA -1.501 56.537 58.000 0.064 0.000 1.088 266 F CB -0.904 38.070 39.000 -0.044 0.000 1.387 266 F HN -0.307 nan 8.300 nan 0.000 0.494 267 Y N -0.008 120.451 120.300 0.265 0.000 2.373 267 Y HA 0.140 4.690 4.550 -0.001 0.000 0.293 267 Y C 0.823 176.650 175.900 -0.121 0.000 1.129 267 Y CA 1.222 59.338 58.100 0.027 0.000 1.226 267 Y CB 0.103 38.495 38.460 -0.113 0.000 1.000 267 Y HN 0.351 nan 8.280 nan 0.000 0.549 268 S N -1.642 113.914 115.700 -0.239 0.000 2.607 268 S HA 0.251 4.720 4.470 -0.001 0.000 0.273 268 S C -0.406 174.127 174.600 -0.111 0.000 1.148 268 S CA -0.416 57.541 58.200 -0.406 0.000 0.833 268 S CB 0.293 63.178 63.200 -0.526 0.000 1.130 268 S HN 0.286 nan 8.310 nan 0.000 0.470 269 Y N 0.928 121.189 120.300 -0.066 0.000 2.490 269 Y HA 0.307 4.857 4.550 -0.001 0.000 0.281 269 Y C 0.452 176.442 175.900 0.151 0.000 1.174 269 Y CA -0.565 57.528 58.100 -0.012 0.000 1.295 269 Y CB -1.028 37.340 38.460 -0.154 0.000 1.062 269 Y HN 0.552 nan 8.280 nan 0.000 0.522 270 D N 0.619 121.067 120.400 0.080 0.000 2.371 270 D HA -0.021 4.618 4.640 -0.001 0.000 0.242 270 D C 1.227 177.670 176.300 0.239 0.000 1.218 270 D CA -0.389 53.731 54.000 0.200 0.000 0.945 270 D CB 0.813 41.687 40.800 0.123 0.000 1.137 270 D HN 0.247 nan 8.370 nan 0.000 0.464 271 I N -0.170 120.515 120.570 0.191 0.000 2.179 271 I HA -0.150 4.020 4.170 -0.001 0.000 0.242 271 I C -0.734 175.435 176.117 0.087 0.000 1.088 271 I CA 0.858 62.254 61.300 0.160 0.000 1.357 271 I CB -1.223 36.855 38.000 0.130 0.000 1.051 271 I HN 0.353 nan 8.210 nan 0.000 0.409 272 P HA -0.172 nan 4.420 nan 0.000 0.218 272 P C 0.628 177.643 177.300 -0.474 0.000 1.146 272 P CA 1.666 64.607 63.100 -0.265 0.000 0.813 272 P CB -0.138 31.410 31.700 -0.255 0.000 0.778 273 H N -2.982 116.094 119.070 0.009 0.000 2.486 273 H HA 0.216 4.772 4.556 -0.001 0.000 0.284 273 H C 0.952 176.384 175.328 0.175 0.000 1.103 273 H CA 0.646 56.711 56.048 0.028 0.000 1.089 273 H CB -0.195 29.647 29.762 0.133 0.000 1.603 273 H HN 0.125 nan 8.280 nan 0.000 0.557 274 T N -4.313 110.368 114.554 0.212 0.000 2.986 274 T HA -0.031 4.318 4.350 -0.001 0.000 0.264 274 T C 1.853 176.683 174.700 0.216 0.000 0.964 274 T CA 0.369 62.619 62.100 0.250 0.000 0.895 274 T CB -0.702 68.303 68.868 0.228 0.000 1.163 274 T HN 0.503 nan 8.240 nan 0.000 0.517 275 c N 1.690 120.387 118.600 0.161 0.000 2.495 275 c HA 0.693 5.262 4.570 -0.001 0.000 0.275 275 c C 1.385 175.600 174.090 0.210 0.000 1.392 275 c CA 0.451 56.911 56.329 0.218 0.000 1.766 275 c CB -1.175 41.423 42.510 0.147 0.000 1.933 275 c HN 0.900 nan 8.230 nan 0.000 0.519 276 G N -0.381 108.468 108.800 0.082 0.000 2.327 276 G HA2 0.366 4.325 3.960 -0.001 0.000 0.291 276 G HA3 0.366 4.325 3.960 -0.001 0.000 0.291 276 G C -2.722 171.791 174.900 -0.645 0.000 1.290 276 G CA 0.222 45.316 45.100 -0.009 0.000 0.857 276 G HN -0.098 nan 8.290 nan 0.000 0.520 277 P HA 0.104 nan 4.420 nan 0.000 0.229 277 P C -0.105 176.754 177.300 -0.734 0.000 1.160 277 P CA 1.076 63.471 63.100 -1.175 0.000 0.777 277 P CB 0.347 31.710 31.700 -0.561 0.000 0.814 278 D N 0.601 120.689 120.400 -0.520 0.000 2.460 278 D HA 0.148 4.787 4.640 -0.001 0.000 0.232 278 D C -1.532 174.420 176.300 -0.580 0.000 1.079 278 D CA -2.555 51.188 54.000 -0.428 0.000 0.864 278 D CB 1.427 42.064 40.800 -0.271 0.000 1.048 278 D HN -0.017 nan 8.370 nan 0.000 0.523 279 P HA -0.139 nan 4.420 nan 0.000 0.221 279 P C 1.292 177.767 177.300 -1.375 0.000 1.150 279 P CA 0.702 63.035 63.100 -1.278 0.000 0.800 279 P CB 0.540 31.193 31.700 -1.745 0.000 0.787 280 K N 0.352 120.066 120.400 -1.143 0.000 2.103 280 K HA -0.094 4.226 4.320 -0.001 0.000 0.207 280 K C 1.811 178.232 176.600 -0.299 0.000 1.048 280 K CA 1.353 57.298 56.287 -0.570 0.000 0.930 280 K CB -0.313 32.039 32.500 -0.246 0.000 0.716 280 K HN -0.068 nan 8.250 nan 0.000 0.444 281 V N 0.395 120.140 119.914 -0.282 0.000 2.346 281 V HA -0.241 3.879 4.120 -0.001 0.000 0.244 281 V C 2.456 178.531 176.094 -0.031 0.000 1.037 281 V CA 1.460 63.692 62.300 -0.114 0.000 1.029 281 V CB -0.390 31.380 31.823 -0.088 0.000 0.663 281 V HN 0.487 nan 8.190 nan 0.000 0.454 282 c N -0.668 117.836 118.600 -0.160 0.000 2.413 282 c HA -0.209 4.360 4.570 -0.001 0.000 0.277 282 c C 3.006 177.074 174.090 -0.036 0.000 1.265 282 c CA 0.842 57.138 56.329 -0.055 0.000 1.752 282 c CB -1.477 40.916 42.510 -0.194 0.000 1.998 282 c HN 0.764 nan 8.230 nan 0.000 0.489 283 c N 0.827 119.320 118.600 -0.179 0.000 2.411 283 c HA -0.163 4.407 4.570 -0.001 0.000 0.279 283 c C 2.635 176.627 174.090 -0.163 0.000 1.288 283 c CA 1.287 57.562 56.329 -0.090 0.000 1.764 283 c CB -1.470 41.075 42.510 0.058 0.000 1.974 283 c HN 0.640 nan 8.230 nan 0.000 0.498 284 Q N -1.383 118.266 119.800 -0.251 0.000 2.500 284 Q HA -0.049 4.291 4.340 -0.001 0.000 0.213 284 Q C 0.659 176.000 176.000 -1.098 0.000 0.974 284 Q CA 1.068 56.530 55.803 -0.569 0.000 0.918 284 Q CB -0.042 28.345 28.738 -0.585 0.000 0.980 284 Q HN 0.762 nan 8.270 nan 0.000 0.505 285 F N -0.535 119.115 119.950 -0.499 0.000 2.698 285 F HA 0.176 4.702 4.527 -0.001 0.000 0.304 285 F C 0.173 175.672 175.800 -0.503 0.000 1.108 285 F CA -0.649 56.936 58.000 -0.691 0.000 1.263 285 F CB 0.819 39.673 39.000 -0.245 0.000 1.013 285 F HN -0.154 nan 8.300 nan 0.000 0.532 286 D N 0.203 120.384 120.400 -0.364 0.000 2.467 286 D HA 0.138 4.777 4.640 -0.001 0.000 0.220 286 D C 0.493 176.608 176.300 -0.308 0.000 1.103 286 D CA -0.288 53.602 54.000 -0.183 0.000 0.886 286 D CB 0.146 40.902 40.800 -0.073 0.000 1.025 286 D HN 0.083 nan 8.370 nan 0.000 0.514 287 F N 1.781 121.740 119.950 0.014 0.000 2.802 287 F HA 0.106 4.632 4.527 -0.001 0.000 0.300 287 F C 2.332 178.091 175.800 -0.069 0.000 1.168 287 F CA 0.267 58.252 58.000 -0.025 0.000 1.433 287 F CB 0.055 39.059 39.000 0.008 0.000 1.115 287 F HN 0.265 nan 8.300 nan 0.000 0.582 288 K N 0.688 121.030 120.400 -0.096 0.000 2.486 288 K HA 0.032 4.351 4.320 -0.001 0.000 0.194 288 K C 1.037 177.614 176.600 -0.038 0.000 1.033 288 K CA 0.349 56.451 56.287 -0.309 0.000 1.004 288 K CB 0.098 32.261 32.500 -0.562 0.000 0.798 288 K HN 0.189 nan 8.250 nan 0.000 0.495 289 R N 0.092 120.592 120.500 0.000 0.000 2.702 289 R HA 0.210 4.549 4.340 -0.001 0.000 0.314 289 R C 0.780 177.114 176.300 0.057 0.000 1.152 289 R CA -0.178 55.943 56.100 0.034 0.000 1.097 289 R CB 0.276 30.572 30.300 -0.007 0.000 1.343 289 R HN 0.176 nan 8.270 nan 0.000 0.575 290 M N -1.203 118.468 119.600 0.118 0.000 2.502 290 M HA 0.187 4.667 4.480 -0.001 0.000 0.243 290 M C 1.135 177.476 176.300 0.069 0.000 1.130 290 M CA 0.651 56.002 55.300 0.084 0.000 1.055 290 M CB 1.010 33.669 32.600 0.100 0.000 1.457 290 M HN 0.498 nan 8.290 nan 0.000 0.488 291 G N 0.101 108.956 108.800 0.091 0.000 3.180 291 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.197 291 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.197 291 G C 0.998 175.906 174.900 0.012 0.000 1.149 291 G CA 0.259 45.386 45.100 0.044 0.000 0.847 291 G HN 0.403 nan 8.290 nan 0.000 0.469 292 S N 0.327 115.994 115.700 -0.056 0.000 2.442 292 S HA 0.130 4.599 4.470 -0.001 0.000 0.236 292 S C 1.764 176.178 174.600 -0.311 0.000 1.007 292 S CA 1.726 59.795 58.200 -0.219 0.000 0.965 292 S CB -0.428 62.557 63.200 -0.358 0.000 0.773 292 S HN 0.398 nan 8.310 nan 0.000 0.504 293 F N 1.933 121.882 119.950 -0.001 0.000 2.765 293 F HA 0.426 4.953 4.527 -0.001 0.000 0.302 293 F C 1.872 177.674 175.800 0.005 0.000 1.111 293 F CA -0.221 57.778 58.000 -0.002 0.000 1.359 293 F CB -0.299 38.695 39.000 -0.009 0.000 1.097 293 F HN 0.352 nan 8.300 nan 0.000 0.577 294 G N 1.307 110.182 108.800 0.125 0.000 2.198 294 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.260 294 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.260 294 G C -0.078 174.878 174.900 0.094 0.000 1.025 294 G CA 0.181 45.332 45.100 0.085 0.000 0.769 294 G HN 0.331 nan 8.290 nan 0.000 0.507 295 L N -0.179 121.114 121.223 0.116 0.000 2.323 295 L HA 0.874 5.214 4.340 -0.001 0.000 0.265 295 L C 0.510 177.416 176.870 0.060 0.000 1.012 295 L CA -0.390 54.500 54.840 0.083 0.000 0.820 295 L CB 2.344 44.451 42.059 0.079 0.000 1.334 295 L HN 0.471 nan 8.230 nan 0.000 0.427 296 S N -0.824 114.898 115.700 0.037 0.000 2.656 296 S HA 0.496 4.965 4.470 -0.001 0.000 0.273 296 S C -1.269 173.343 174.600 0.022 0.000 1.168 296 S CA -0.833 57.380 58.200 0.021 0.000 0.817 296 S CB 1.500 64.703 63.200 0.004 0.000 1.146 296 S HN 0.522 nan 8.310 nan 0.000 0.475 297 c N 2.902 121.520 118.600 0.031 0.000 2.265 297 c HA 0.533 5.103 4.570 -0.001 0.000 0.332 297 c C -1.145 172.923 174.090 -0.035 0.000 1.248 297 c CA -1.062 55.320 56.329 0.089 0.000 1.727 297 c CB 0.603 43.212 42.510 0.165 0.000 2.348 297 c HN 0.765 nan 8.230 nan 0.000 0.519 298 P HA -0.088 nan 4.420 nan 0.000 0.222 298 P C 1.120 178.113 177.300 -0.512 0.000 1.147 298 P CA 1.283 64.069 63.100 -0.523 0.000 0.790 298 P CB 0.039 31.213 31.700 -0.877 0.000 0.780 299 W N 0.122 121.402 121.300 -0.035 0.000 3.180 299 W HA 0.189 4.848 4.660 -0.001 0.000 0.254 299 W C 0.605 177.099 176.519 -0.043 0.000 1.318 299 W CA 0.128 57.447 57.345 -0.042 0.000 1.608 299 W CB -0.550 28.876 29.460 -0.057 0.000 1.124 299 W HN 0.131 nan 8.180 nan 0.000 0.694 300 K N -1.140 119.312 120.400 0.086 0.000 3.512 300 K HA -0.177 4.143 4.320 -0.001 0.000 0.309 300 K C -0.332 176.291 176.600 0.038 0.000 1.350 300 K CA 0.563 56.871 56.287 0.034 0.000 0.960 300 K CB -1.907 30.602 32.500 0.015 0.000 1.290 300 K HN -0.108 nan 8.250 nan 0.000 0.454 301 V N 1.918 121.867 119.914 0.059 0.000 2.378 301 V HA 0.340 4.460 4.120 -0.001 0.000 0.288 301 V C -1.840 174.245 176.094 -0.016 0.000 1.016 301 V CA -1.537 60.769 62.300 0.010 0.000 0.840 301 V CB 1.439 33.260 31.823 -0.003 0.000 0.994 301 V HN -0.039 nan 8.190 nan 0.000 0.431 302 P HA 0.440 nan 4.420 nan 0.000 0.278 302 P C -2.849 174.368 177.300 -0.138 0.000 1.258 302 P CA -2.141 60.922 63.100 -0.061 0.000 0.811 302 P CB 0.373 32.050 31.700 -0.038 0.000 1.063 303 P HA 0.281 nan 4.420 nan 0.000 0.272 303 P C -0.347 176.863 177.300 -0.149 0.000 1.230 303 P CA 0.092 63.002 63.100 -0.316 0.000 0.788 303 P CB 0.646 32.113 31.700 -0.389 0.000 0.949 304 R N 0.155 120.580 120.500 -0.125 0.000 2.621 304 R HA 0.397 4.736 4.340 -0.001 0.000 0.292 304 R C -0.354 176.005 176.300 0.099 0.000 0.969 304 R CA -0.649 55.441 56.100 -0.016 0.000 0.887 304 R CB 1.412 31.675 30.300 -0.062 0.000 1.180 304 R HN 0.356 nan 8.270 nan 0.000 0.450 305 T N 4.029 118.628 114.554 0.075 0.000 2.905 305 T HA 0.029 4.379 4.350 -0.001 0.000 0.299 305 T C 0.749 175.431 174.700 -0.031 0.000 1.024 305 T CA 0.167 62.279 62.100 0.021 0.000 1.151 305 T CB 0.112 68.978 68.868 -0.003 0.000 0.987 305 T HN 0.195 nan 8.240 nan 0.000 0.535 306 I N 4.125 124.626 120.570 -0.115 0.000 2.496 306 I HA 0.211 4.380 4.170 -0.001 0.000 0.285 306 I C 1.038 177.100 176.117 -0.092 0.000 1.080 306 I CA 0.088 61.323 61.300 -0.108 0.000 1.404 306 I CB 0.154 38.051 38.000 -0.172 0.000 1.403 306 I HN 0.751 nan 8.210 nan 0.000 0.539 307 S N 3.846 119.504 115.700 -0.068 0.000 2.709 307 S HA 0.446 4.915 4.470 -0.001 0.000 0.302 307 S C 0.406 174.971 174.600 -0.057 0.000 1.127 307 S CA -0.752 57.416 58.200 -0.053 0.000 0.905 307 S CB 2.089 65.265 63.200 -0.039 0.000 1.151 307 S HN 0.497 nan 8.310 nan 0.000 0.510 308 D N 0.649 121.025 120.400 -0.040 0.000 2.221 308 D HA -0.056 4.584 4.640 -0.001 0.000 0.204 308 D C 1.571 177.845 176.300 -0.044 0.000 0.982 308 D CA 1.427 55.405 54.000 -0.036 0.000 0.857 308 D CB -0.257 40.537 40.800 -0.010 0.000 0.934 308 D HN 0.534 nan 8.370 nan 0.000 0.475 309 Q N -0.034 119.744 119.800 -0.037 0.000 2.389 309 Q HA -0.002 4.337 4.340 -0.001 0.000 0.204 309 Q C 1.296 177.272 176.000 -0.041 0.000 0.944 309 Q CA 0.760 56.544 55.803 -0.031 0.000 0.908 309 Q CB -0.012 28.713 28.738 -0.021 0.000 1.002 309 Q HN 0.373 nan 8.270 nan 0.000 0.493 310 N N -1.732 116.935 118.700 -0.055 0.000 2.210 310 N HA -0.016 4.723 4.740 -0.001 0.000 0.203 310 N C 1.189 176.651 175.510 -0.080 0.000 1.175 310 N CA 0.178 53.196 53.050 -0.053 0.000 0.894 310 N CB -0.363 38.099 38.487 -0.041 0.000 1.041 310 N HN 0.044 nan 8.380 nan 0.000 0.506 311 V N 0.844 120.673 119.914 -0.142 0.000 2.392 311 V HA -0.144 3.976 4.120 -0.001 0.000 0.249 311 V C 2.338 178.220 176.094 -0.353 0.000 1.059 311 V CA 2.164 64.323 62.300 -0.236 0.000 1.051 311 V CB -0.959 30.691 31.823 -0.289 0.000 0.658 311 V HN 0.449 nan 8.190 nan 0.000 0.455 312 A N -0.236 122.358 122.820 -0.377 0.000 1.883 312 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 312 A C 2.419 180.058 177.584 0.092 0.000 1.186 312 A CA 2.356 54.326 52.037 -0.111 0.000 0.624 312 A CB -1.055 17.970 19.000 0.042 0.000 0.822 312 A HN 0.804 nan 8.150 nan 0.000 0.444 313 A N -0.656 122.185 122.820 0.035 0.000 1.898 313 A HA -0.111 4.209 4.320 -0.001 0.000 0.216 313 A C 2.239 179.868 177.584 0.075 0.000 1.181 313 A CA 1.313 53.388 52.037 0.062 0.000 0.620 313 A CB -0.417 18.600 19.000 0.028 0.000 0.819 313 A HN 0.426 nan 8.150 nan 0.000 0.442 314 R N 0.152 120.688 120.500 0.059 0.000 2.073 314 R HA -0.062 4.277 4.340 -0.001 0.000 0.234 314 R C 2.422 178.777 176.300 0.092 0.000 1.134 314 R CA 1.615 57.806 56.100 0.151 0.000 0.952 314 R CB -1.062 29.324 30.300 0.144 0.000 0.850 314 R HN 0.527 nan 8.270 nan 0.000 0.433 315 S N 1.430 117.131 115.700 0.001 0.000 2.368 315 S HA -0.128 4.341 4.470 -0.001 0.000 0.225 315 S C 1.371 175.852 174.600 -0.200 0.000 1.030 315 S CA 1.390 59.492 58.200 -0.163 0.000 0.999 315 S CB -0.272 62.966 63.200 0.063 0.000 0.844 315 S HN 0.264 nan 8.310 nan 0.000 0.459 316 D N 1.614 122.103 120.400 0.147 0.000 2.126 316 D HA -0.126 4.514 4.640 -0.001 0.000 0.190 316 D C 1.896 178.206 176.300 0.017 0.000 1.001 316 D CA 1.020 55.155 54.000 0.224 0.000 0.841 316 D CB -0.513 40.414 40.800 0.212 0.000 0.949 316 D HN 0.286 nan 8.370 nan 0.000 0.446 317 L N -0.200 121.009 121.223 -0.023 0.000 2.046 317 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 317 L C 2.408 179.095 176.870 -0.304 0.000 1.077 317 L CA 0.526 55.326 54.840 -0.066 0.000 0.747 317 L CB -0.187 41.914 42.059 0.070 0.000 0.896 317 L HN 0.078 nan 8.230 nan 0.000 0.432 318 L N -1.085 119.772 121.223 -0.609 0.000 2.095 318 L HA -0.091 4.249 4.340 -0.001 0.000 0.204 318 L C 2.298 178.455 176.870 -1.187 0.000 1.080 318 L CA 1.434 55.575 54.840 -1.164 0.000 0.759 318 L CB -0.267 40.790 42.059 -1.670 0.000 0.914 318 L HN -0.101 nan 8.230 nan 0.000 0.439 319 V N 0.067 119.413 119.914 -0.947 0.000 2.392 319 V HA -0.311 3.808 4.120 -0.001 0.000 0.249 319 V C 2.298 178.215 176.094 -0.295 0.000 1.059 319 V CA 1.975 63.876 62.300 -0.665 0.000 1.051 319 V CB -0.747 30.663 31.823 -0.688 0.000 0.658 319 V HN 0.580 nan 8.190 nan 0.000 0.455 320 D N -0.859 119.428 120.400 -0.189 0.000 2.117 320 D HA -0.195 4.444 4.640 -0.001 0.000 0.197 320 D C 2.247 178.507 176.300 -0.066 0.000 0.987 320 D CA 1.144 55.141 54.000 -0.005 0.000 0.829 320 D CB -0.026 40.827 40.800 0.088 0.000 0.961 320 D HN 0.272 nan 8.370 nan 0.000 0.460 321 Q N -0.397 119.303 119.800 -0.167 0.000 2.061 321 Q HA -0.156 4.184 4.340 -0.001 0.000 0.204 321 Q C 2.185 178.194 176.000 0.014 0.000 0.984 321 Q CA 1.072 56.799 55.803 -0.127 0.000 0.846 321 Q CB -0.695 27.902 28.738 -0.235 0.000 0.902 321 Q HN 0.540 nan 8.270 nan 0.000 0.421 322 W N 1.373 122.563 121.300 -0.184 0.000 2.333 322 W HA -0.140 4.519 4.660 -0.001 0.000 0.316 322 W C 2.190 178.588 176.519 -0.201 0.000 1.215 322 W CA 0.911 58.147 57.345 -0.182 0.000 1.278 322 W CB -0.880 28.443 29.460 -0.227 0.000 1.154 322 W HN 0.228 nan 8.180 nan 0.000 0.486 323 K N 0.123 120.478 120.400 -0.074 0.000 2.147 323 K HA -0.156 4.163 4.320 -0.001 0.000 0.205 323 K C 1.980 178.400 176.600 -0.300 0.000 1.049 323 K CA 1.382 57.472 56.287 -0.329 0.000 0.936 323 K CB -0.221 31.812 32.500 -0.778 0.000 0.722 323 K HN 0.077 nan 8.250 nan 0.000 0.446 324 K N 0.857 121.153 120.400 -0.173 0.000 2.026 324 K HA -0.168 4.152 4.320 -0.001 0.000 0.208 324 K C 2.108 178.765 176.600 0.094 0.000 1.048 324 K CA 1.299 57.619 56.287 0.056 0.000 0.929 324 K CB -0.047 32.516 32.500 0.104 0.000 0.713 324 K HN 0.020 nan 8.250 nan 0.000 0.439 325 K N 0.854 121.318 120.400 0.108 0.000 2.063 325 K HA -0.158 4.161 4.320 -0.001 0.000 0.208 325 K C 2.112 178.826 176.600 0.189 0.000 1.048 325 K CA 1.338 57.716 56.287 0.151 0.000 0.928 325 K CB -0.148 32.462 32.500 0.183 0.000 0.713 325 K HN 0.158 nan 8.250 nan 0.000 0.442 326 A N 1.409 124.327 122.820 0.163 0.000 1.978 326 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 326 A C 1.770 179.518 177.584 0.272 0.000 1.170 326 A CA 1.606 53.777 52.037 0.223 0.000 0.636 326 A CB -0.432 18.665 19.000 0.161 0.000 0.810 326 A HN 0.348 nan 8.150 nan 0.000 0.448 327 E N -0.007 120.329 120.200 0.227 0.000 2.267 327 E HA -0.133 4.216 4.350 -0.001 0.000 0.197 327 E C 1.698 178.421 176.600 0.205 0.000 0.998 327 E CA 0.775 57.320 56.400 0.241 0.000 0.830 327 E CB -0.303 29.567 29.700 0.284 0.000 0.751 327 E HN 0.737 nan 8.360 nan 0.000 0.491 328 L N -0.653 120.645 121.223 0.125 0.000 2.554 328 L HA 0.015 4.354 4.340 -0.001 0.000 0.226 328 L C 0.268 176.912 176.870 -0.376 0.000 1.137 328 L CA 0.312 55.086 54.840 -0.109 0.000 0.863 328 L CB -0.081 41.785 42.059 -0.322 0.000 0.985 328 L HN 0.007 nan 8.230 nan 0.000 0.451 329 Y N -1.721 118.664 120.300 0.142 0.000 2.633 329 Y HA 0.374 4.923 4.550 -0.001 0.000 0.339 329 Y C 1.144 177.161 175.900 0.195 0.000 1.045 329 Y CA -0.986 57.220 58.100 0.177 0.000 1.098 329 Y CB 1.177 39.754 38.460 0.195 0.000 1.296 329 Y HN -0.294 nan 8.280 nan 0.000 0.494 330 R N -0.522 120.225 120.500 0.411 0.000 2.223 330 R HA 0.071 4.411 4.340 -0.001 0.000 0.198 330 R C 0.370 176.798 176.300 0.213 0.000 0.984 330 R CA 0.840 57.083 56.100 0.239 0.000 1.018 330 R CB 0.206 30.574 30.300 0.114 0.000 0.945 330 R HN 0.758 nan 8.270 nan 0.000 0.479 331 T N -0.838 113.886 114.554 0.284 0.000 2.923 331 T HA 0.088 4.438 4.350 -0.001 0.000 0.281 331 T C 0.689 175.520 174.700 0.217 0.000 0.995 331 T CA -0.937 61.293 62.100 0.216 0.000 0.985 331 T CB 1.259 70.236 68.868 0.181 0.000 1.114 331 T HN 0.082 nan 8.240 nan 0.000 0.548 332 N N 0.139 118.935 118.700 0.159 0.000 2.362 332 N HA 0.092 4.831 4.740 -0.001 0.000 0.211 332 N C -0.593 174.909 175.510 -0.013 0.000 1.170 332 N CA -0.320 52.783 53.050 0.089 0.000 0.828 332 N CB -0.279 38.136 38.487 -0.120 0.000 1.034 332 N HN 0.388 nan 8.380 nan 0.000 0.475 333 V N 1.279 121.212 119.914 0.032 0.000 2.409 333 V HA 0.411 4.531 4.120 -0.001 0.000 0.291 333 V C -0.548 175.629 176.094 0.137 0.000 1.020 333 V CA -0.997 61.317 62.300 0.024 0.000 0.848 333 V CB 1.444 33.249 31.823 -0.031 0.000 0.990 333 V HN 0.154 nan 8.190 nan 0.000 0.430 334 L N 5.732 126.983 121.223 0.047 0.000 2.341 334 L HA 0.686 5.025 4.340 -0.001 0.000 0.278 334 L C -0.833 175.914 176.870 -0.206 0.000 1.005 334 L CA -0.483 54.310 54.840 -0.079 0.000 0.818 334 L CB 1.645 43.556 42.059 -0.245 0.000 1.259 334 L HN 0.638 nan 8.230 nan 0.000 0.418 335 L N 6.434 127.326 121.223 -0.551 0.000 2.264 335 L HA 0.561 4.901 4.340 -0.001 0.000 0.289 335 L C -1.040 175.548 176.870 -0.471 0.000 1.044 335 L CA 0.119 54.472 54.840 -0.812 0.000 0.807 335 L CB 0.780 41.862 42.059 -1.628 0.000 1.192 335 L HN 0.430 nan 8.230 nan 0.000 0.425 336 I N 7.385 127.760 120.570 -0.325 0.000 2.502 336 I HA 0.344 4.513 4.170 -0.001 0.000 0.276 336 I C -2.293 173.807 176.117 -0.029 0.000 1.057 336 I CA -2.056 59.148 61.300 -0.160 0.000 1.163 336 I CB 1.073 38.956 38.000 -0.195 0.000 1.288 336 I HN 0.424 nan 8.210 nan 0.000 0.479 337 P HA 0.147 nan 4.420 nan 0.000 0.268 337 P C -0.431 177.057 177.300 0.314 0.000 1.205 337 P CA -0.218 63.020 63.100 0.231 0.000 0.771 337 P CB 0.823 32.692 31.700 0.282 0.000 0.858 338 L N 3.078 124.529 121.223 0.381 0.000 2.454 338 L HA 0.763 5.102 4.340 -0.001 0.000 0.258 338 L C -0.108 176.842 176.870 0.133 0.000 1.025 338 L CA 0.381 55.368 54.840 0.245 0.000 0.901 338 L CB 0.424 42.563 42.059 0.134 0.000 1.210 338 L HN 0.611 nan 8.230 nan 0.000 0.457 339 G N 1.692 110.458 108.800 -0.055 0.000 2.342 339 G HA2 0.468 4.427 3.960 -0.001 0.000 0.297 339 G HA3 0.468 4.427 3.960 -0.001 0.000 0.297 339 G C -2.202 172.609 174.900 -0.149 0.000 1.313 339 G CA -0.244 44.583 45.100 -0.455 0.000 0.830 339 G HN 0.389 nan 8.290 nan 0.000 0.506 340 D N -1.746 118.620 120.400 -0.056 0.000 2.879 340 D HA 0.297 4.936 4.640 -0.001 0.000 0.346 340 D C -1.500 174.944 176.300 0.239 0.000 1.390 340 D CA -0.443 53.697 54.000 0.234 0.000 0.838 340 D CB 1.426 42.313 40.800 0.146 0.000 1.416 340 D HN 0.219 nan 8.370 nan 0.000 0.493 341 D N 0.475 121.073 120.400 0.330 0.000 2.450 341 D HA 0.200 4.839 4.640 -0.001 0.000 0.247 341 D C 0.259 176.716 176.300 0.261 0.000 1.162 341 D CA 0.495 54.668 54.000 0.288 0.000 0.879 341 D CB -0.273 40.799 40.800 0.454 0.000 1.163 341 D HN 0.343 nan 8.370 nan 0.000 0.472 342 F N 0.167 120.182 119.950 0.108 0.000 3.090 342 F HA -0.304 4.223 4.527 -0.001 0.000 0.282 342 F C 1.086 176.925 175.800 0.065 0.000 0.923 342 F CA 0.591 58.630 58.000 0.065 0.000 0.977 342 F CB -0.960 38.070 39.000 0.051 0.000 0.954 342 F HN 0.223 nan 8.300 nan 0.000 0.695 343 R N -0.399 120.187 120.500 0.144 0.000 2.649 343 R HA 0.449 4.788 4.340 -0.001 0.000 0.270 343 R C 0.666 176.991 176.300 0.042 0.000 1.105 343 R CA -0.682 55.390 56.100 -0.046 0.000 1.193 343 R CB -0.100 30.078 30.300 -0.203 0.000 1.120 343 R HN 0.201 nan 8.270 nan 0.000 0.561 344 F N -0.809 118.952 119.950 -0.315 0.000 3.040 344 F HA -0.281 4.246 4.527 -0.001 0.000 0.298 344 F C 1.313 177.022 175.800 -0.151 0.000 0.948 344 F CA 1.048 58.641 58.000 -0.678 0.000 1.022 344 F CB -1.097 37.213 39.000 -1.150 0.000 1.023 344 F HN 0.614 nan 8.300 nan 0.000 0.742 345 K N 0.190 120.617 120.400 0.045 0.000 2.057 345 K HA 0.090 4.409 4.320 -0.001 0.000 0.209 345 K C 0.769 177.499 176.600 0.216 0.000 1.028 345 K CA 0.569 56.960 56.287 0.173 0.000 0.950 345 K CB 0.188 32.757 32.500 0.115 0.000 0.784 345 K HN 0.405 nan 8.250 nan 0.000 0.448 346 Q N 0.780 120.670 119.800 0.149 0.000 2.354 346 Q HA 0.067 4.407 4.340 -0.001 0.000 0.244 346 Q C 0.486 176.656 176.000 0.283 0.000 0.969 346 Q CA -0.106 55.812 55.803 0.191 0.000 0.885 346 Q CB 1.064 29.932 28.738 0.216 0.000 1.241 346 Q HN 0.325 nan 8.270 nan 0.000 0.461 347 N N 0.033 118.872 118.700 0.233 0.000 2.094 347 N HA -0.219 4.521 4.740 -0.001 0.000 0.191 347 N C 1.611 177.266 175.510 0.242 0.000 1.023 347 N CA 1.926 55.114 53.050 0.229 0.000 0.857 347 N CB -0.022 38.551 38.487 0.144 0.000 1.013 347 N HN 0.698 nan 8.380 nan 0.000 0.426 348 T N -1.269 113.425 114.554 0.234 0.000 2.833 348 T HA -0.185 4.165 4.350 -0.001 0.000 0.269 348 T C 1.650 176.542 174.700 0.321 0.000 1.054 348 T CA 1.178 63.441 62.100 0.272 0.000 1.135 348 T CB -0.251 68.768 68.868 0.252 0.000 0.869 348 T HN 0.327 nan 8.240 nan 0.000 0.466 349 E N -0.196 120.139 120.200 0.226 0.000 2.072 349 E HA -0.103 4.246 4.350 -0.001 0.000 0.190 349 E C 1.859 178.362 176.600 -0.162 0.000 0.982 349 E CA 0.767 57.062 56.400 -0.176 0.000 0.803 349 E CB -0.275 29.130 29.700 -0.492 0.000 0.755 349 E HN 0.714 nan 8.360 nan 0.000 0.453 350 W N 1.755 122.960 121.300 -0.158 0.000 2.335 350 W HA -0.205 4.455 4.660 -0.001 0.000 0.311 350 W C 2.126 178.493 176.519 -0.255 0.000 1.213 350 W CA 1.333 58.483 57.345 -0.324 0.000 1.274 350 W CB -0.256 28.685 29.460 -0.865 0.000 1.148 350 W HN 0.195 nan 8.180 nan 0.000 0.498 351 D N -0.506 119.986 120.400 0.154 0.000 2.084 351 D HA -0.185 4.455 4.640 -0.001 0.000 0.194 351 D C 2.283 178.685 176.300 0.169 0.000 0.990 351 D CA 1.523 55.672 54.000 0.250 0.000 0.826 351 D CB -1.122 39.822 40.800 0.240 0.000 0.971 351 D HN -0.004 nan 8.370 nan 0.000 0.453 352 V N 0.957 120.951 119.914 0.134 0.000 2.332 352 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 352 V C 2.297 178.439 176.094 0.080 0.000 1.055 352 V CA 1.673 64.035 62.300 0.103 0.000 1.038 352 V CB -0.125 31.804 31.823 0.177 0.000 0.651 352 V HN 0.184 nan 8.190 nan 0.000 0.450 353 Q N -0.513 119.370 119.800 0.137 0.000 2.020 353 Q HA -0.175 4.164 4.340 -0.001 0.000 0.198 353 Q C 2.353 178.583 176.000 0.383 0.000 0.974 353 Q CA 1.746 57.733 55.803 0.305 0.000 0.829 353 Q CB -0.503 28.378 28.738 0.238 0.000 0.894 353 Q HN 0.599 nan 8.270 nan 0.000 0.433 354 R N 0.519 121.214 120.500 0.325 0.000 2.083 354 R HA -0.126 4.214 4.340 -0.001 0.000 0.237 354 R C 2.240 178.732 176.300 0.320 0.000 1.137 354 R CA 1.529 57.869 56.100 0.401 0.000 0.951 354 R CB -0.109 30.429 30.300 0.397 0.000 0.851 354 R HN 0.070 nan 8.270 nan 0.000 0.434 355 V N 1.834 121.848 119.914 0.167 0.000 2.358 355 V HA -0.227 3.892 4.120 -0.001 0.000 0.246 355 V C 2.035 178.075 176.094 -0.091 0.000 1.047 355 V CA 1.852 64.187 62.300 0.059 0.000 1.035 355 V CB -0.607 31.238 31.823 0.037 0.000 0.658 355 V HN 0.439 nan 8.190 nan 0.000 0.452 356 N N -0.572 117.960 118.700 -0.280 0.000 2.084 356 N HA -0.183 4.556 4.740 -0.001 0.000 0.190 356 N C 1.863 177.054 175.510 -0.531 0.000 1.030 356 N CA 1.747 54.415 53.050 -0.636 0.000 0.849 356 N CB -0.372 37.123 38.487 -1.654 0.000 1.012 356 N HN 0.514 nan 8.380 nan 0.000 0.423 357 Y N 1.957 122.068 120.300 -0.316 0.000 2.224 357 Y HA -0.105 4.444 4.550 -0.001 0.000 0.289 357 Y C 2.435 177.822 175.900 -0.855 0.000 1.146 357 Y CA 1.083 58.865 58.100 -0.529 0.000 1.182 357 Y CB -0.203 38.040 38.460 -0.362 0.000 0.983 357 Y HN 0.147 nan 8.280 nan 0.000 0.524 358 E N -0.198 119.876 120.200 -0.209 0.000 2.085 358 E HA -0.249 4.100 4.350 -0.001 0.000 0.194 358 E C 2.259 178.810 176.600 -0.082 0.000 0.994 358 E CA 1.261 57.621 56.400 -0.067 0.000 0.801 358 E CB -0.153 29.626 29.700 0.132 0.000 0.743 358 E HN 0.456 nan 8.360 nan 0.000 0.453 359 R N 0.266 120.696 120.500 -0.116 0.000 2.096 359 R HA -0.109 4.231 4.340 -0.001 0.000 0.235 359 R C 2.482 178.749 176.300 -0.054 0.000 1.127 359 R CA 0.889 56.947 56.100 -0.071 0.000 0.968 359 R CB -0.273 29.962 30.300 -0.108 0.000 0.861 359 R HN 0.178 nan 8.270 nan 0.000 0.440 360 L N -0.380 120.741 121.223 -0.169 0.000 2.017 360 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 360 L C 2.151 179.068 176.870 0.079 0.000 1.073 360 L CA 1.145 55.923 54.840 -0.102 0.000 0.745 360 L CB -0.427 41.489 42.059 -0.239 0.000 0.894 360 L HN 0.068 nan 8.230 nan 0.000 0.432 361 F N 0.328 120.299 119.950 0.034 0.000 2.102 361 F HA -0.228 4.298 4.527 -0.001 0.000 0.298 361 F C 2.650 178.460 175.800 0.018 0.000 1.105 361 F CA 1.388 59.393 58.000 0.008 0.000 1.239 361 F CB -1.054 37.907 39.000 -0.064 0.000 0.991 361 F HN 0.207 nan 8.300 nan 0.000 0.474 362 E N -0.646 119.684 120.200 0.217 0.000 2.058 362 E HA -0.307 4.043 4.350 -0.001 0.000 0.194 362 E C 2.238 178.928 176.600 0.149 0.000 0.997 362 E CA 1.627 58.117 56.400 0.150 0.000 0.801 362 E CB -0.287 29.483 29.700 0.116 0.000 0.746 362 E HN 0.517 nan 8.360 nan 0.000 0.450 363 H N 0.268 119.388 119.070 0.082 0.000 2.293 363 H HA -0.071 4.485 4.556 -0.001 0.000 0.300 363 H C 2.080 177.495 175.328 0.144 0.000 1.082 363 H CA 2.279 58.387 56.048 0.101 0.000 1.308 363 H CB -0.239 29.578 29.762 0.092 0.000 1.375 363 H HN 0.165 nan 8.280 nan 0.000 0.495 364 I N 0.452 121.090 120.570 0.114 0.000 2.163 364 I HA -0.300 3.869 4.170 -0.001 0.000 0.243 364 I C 1.667 177.809 176.117 0.043 0.000 1.085 364 I CA 1.432 62.753 61.300 0.034 0.000 1.347 364 I CB -0.308 37.656 38.000 -0.060 0.000 1.044 364 I HN 0.375 nan 8.210 nan 0.000 0.408 365 N N 0.233 118.954 118.700 0.034 0.000 2.459 365 N HA -0.104 4.635 4.740 -0.001 0.000 0.181 365 N C 1.797 177.296 175.510 -0.019 0.000 1.046 365 N CA 1.443 54.489 53.050 -0.007 0.000 0.904 365 N CB -0.210 38.267 38.487 -0.018 0.000 0.964 365 N HN 0.407 nan 8.380 nan 0.000 0.444 366 S N -1.027 114.657 115.700 -0.027 0.000 2.524 366 S HA 0.148 4.618 4.470 -0.001 0.000 0.215 366 S C 0.522 175.075 174.600 -0.079 0.000 0.986 366 S CA -0.257 57.919 58.200 -0.040 0.000 0.911 366 S CB 0.288 63.479 63.200 -0.015 0.000 0.805 366 S HN -0.050 nan 8.310 nan 0.000 0.501 367 Q N 1.609 121.332 119.800 -0.128 0.000 2.490 367 Q HA 0.523 4.863 4.340 -0.001 0.000 0.226 367 Q C 1.148 177.017 176.000 -0.219 0.000 1.132 367 Q CA 0.169 55.849 55.803 -0.206 0.000 0.928 367 Q CB 0.931 29.418 28.738 -0.420 0.000 1.299 367 Q HN 0.477 nan 8.270 nan 0.000 0.528 368 A N 2.648 125.407 122.820 -0.102 0.000 1.958 368 A HA -0.299 4.020 4.320 -0.001 0.000 0.221 368 A C 1.662 179.195 177.584 -0.085 0.000 1.178 368 A CA 2.378 54.374 52.037 -0.067 0.000 0.642 368 A CB -0.812 18.173 19.000 -0.025 0.000 0.816 368 A HN 0.903 nan 8.150 nan 0.000 0.453 369 H N -3.492 115.503 119.070 -0.125 0.000 2.489 369 H HA -0.053 4.502 4.556 -0.001 0.000 0.295 369 H C 1.406 176.684 175.328 -0.082 0.000 1.082 369 H CA 1.517 57.481 56.048 -0.140 0.000 1.295 369 H CB -0.558 29.064 29.762 -0.234 0.000 1.380 369 H HN 0.417 nan 8.280 nan 0.000 0.548 370 F N 0.987 120.639 119.950 -0.497 0.000 2.293 370 F HA 0.004 4.530 4.527 -0.001 0.000 0.297 370 F C 0.805 176.540 175.800 -0.108 0.000 1.089 370 F CA 0.699 58.535 58.000 -0.273 0.000 1.377 370 F CB -0.351 38.454 39.000 -0.325 0.000 1.051 370 F HN 0.185 nan 8.300 nan 0.000 0.511 371 N N 0.588 119.330 118.700 0.070 0.000 2.714 371 N HA -0.171 4.569 4.740 -0.001 0.000 0.252 371 N C -0.992 174.496 175.510 -0.037 0.000 1.014 371 N CA 0.484 53.556 53.050 0.037 0.000 0.735 371 N CB -1.501 37.054 38.487 0.114 0.000 0.924 371 N HN 0.028 nan 8.380 nan 0.000 0.540 372 V N 0.558 120.442 119.914 -0.050 0.000 2.735 372 V HA 0.391 4.510 4.120 -0.001 0.000 0.310 372 V C 0.191 176.201 176.094 -0.139 0.000 1.061 372 V CA -0.695 61.526 62.300 -0.132 0.000 0.913 372 V CB 2.451 34.222 31.823 -0.088 0.000 1.005 372 V HN 0.164 nan 8.190 nan 0.000 0.428 373 Q N 3.051 122.716 119.800 -0.226 0.000 2.363 373 Q HA 0.743 5.082 4.340 -0.001 0.000 0.265 373 Q C -0.750 174.998 176.000 -0.419 0.000 1.032 373 Q CA -0.142 55.503 55.803 -0.264 0.000 0.746 373 Q CB 1.538 30.127 28.738 -0.249 0.000 1.237 373 Q HN 0.993 nan 8.270 nan 0.000 0.475 374 A N 4.421 126.984 122.820 -0.428 0.000 2.337 374 A HA 0.863 5.183 4.320 -0.001 0.000 0.329 374 A C -1.108 175.797 177.584 -1.132 0.000 1.146 374 A CA -0.495 51.120 52.037 -0.705 0.000 0.800 374 A CB 1.062 19.830 19.000 -0.387 0.000 1.220 374 A HN 0.810 nan 8.150 nan 0.000 0.472 375 Q N 0.840 119.850 119.800 -1.317 0.000 2.575 375 Q HA 0.559 4.898 4.340 -0.001 0.000 0.290 375 Q C -1.650 173.875 176.000 -0.791 0.000 0.963 375 Q CA -0.823 54.247 55.803 -1.221 0.000 0.783 375 Q CB 0.662 29.067 28.738 -0.555 0.000 1.467 375 Q HN 0.388 nan 8.270 nan 0.000 0.402 376 F N 0.550 120.390 119.950 -0.185 0.000 2.563 376 F HA 0.595 5.121 4.527 -0.001 0.000 0.363 376 F C 1.155 176.996 175.800 0.067 0.000 1.123 376 F CA 1.463 59.497 58.000 0.057 0.000 1.307 376 F CB 0.945 40.043 39.000 0.163 0.000 1.115 376 F HN 0.749 nan 8.300 nan 0.000 0.592 377 G N 0.374 109.351 108.800 0.295 0.000 2.682 377 G HA2 0.608 4.567 3.960 -0.001 0.000 0.290 377 G HA3 0.608 4.567 3.960 -0.001 0.000 0.290 377 G C -1.067 173.830 174.900 -0.005 0.000 1.425 377 G CA -0.616 44.596 45.100 0.186 0.000 0.807 377 G HN 0.720 nan 8.290 nan 0.000 0.482 378 T N -1.886 112.584 114.554 -0.139 0.000 2.937 378 T HA 0.483 4.833 4.350 -0.001 0.000 0.283 378 T C 1.282 175.825 174.700 -0.262 0.000 1.012 378 T CA -0.445 61.538 62.100 -0.195 0.000 0.997 378 T CB 1.491 70.258 68.868 -0.169 0.000 1.136 378 T HN 0.572 nan 8.240 nan 0.000 0.551 379 L N 0.505 121.578 121.223 -0.249 0.000 2.056 379 L HA 0.048 4.388 4.340 -0.001 0.000 0.207 379 L C 2.789 179.614 176.870 -0.075 0.000 1.078 379 L CA 1.965 56.687 54.840 -0.197 0.000 0.749 379 L CB -1.167 40.825 42.059 -0.111 0.000 0.901 379 L HN 0.888 nan 8.230 nan 0.000 0.433 380 Q N 0.061 119.846 119.800 -0.024 0.000 2.096 380 Q HA -0.241 4.099 4.340 -0.001 0.000 0.204 380 Q C 2.073 178.004 176.000 -0.115 0.000 0.982 380 Q CA 2.130 57.949 55.803 0.026 0.000 0.850 380 Q CB -0.203 28.523 28.738 -0.020 0.000 0.901 380 Q HN 0.642 nan 8.270 nan 0.000 0.422 381 E N -1.205 118.832 120.200 -0.273 0.000 2.085 381 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 381 E C 1.745 177.885 176.600 -0.766 0.000 0.994 381 E CA 1.220 57.324 56.400 -0.493 0.000 0.801 381 E CB -0.353 28.964 29.700 -0.639 0.000 0.743 381 E HN 0.479 nan 8.360 nan 0.000 0.453 382 Y N 0.738 120.493 120.300 -0.909 0.000 2.070 382 Y HA -0.292 4.258 4.550 -0.001 0.000 0.280 382 Y C 1.929 177.522 175.900 -0.513 0.000 1.148 382 Y CA 1.687 59.297 58.100 -0.817 0.000 1.125 382 Y CB -0.527 37.477 38.460 -0.760 0.000 0.975 382 Y HN -0.064 nan 8.280 nan 0.000 0.492 383 F N 0.999 120.700 119.950 -0.415 0.000 2.126 383 F HA -0.211 4.315 4.527 -0.001 0.000 0.299 383 F C 2.280 177.842 175.800 -0.396 0.000 1.096 383 F CA 1.830 59.561 58.000 -0.448 0.000 1.255 383 F CB -0.975 37.947 39.000 -0.130 0.000 0.997 383 F HN 0.112 nan 8.300 nan 0.000 0.479 384 D N 0.061 120.406 120.400 -0.092 0.000 2.116 384 D HA -0.190 4.449 4.640 -0.001 0.000 0.193 384 D C 2.354 178.571 176.300 -0.138 0.000 0.998 384 D CA 1.641 55.590 54.000 -0.084 0.000 0.836 384 D CB -0.675 40.066 40.800 -0.098 0.000 0.951 384 D HN 0.247 nan 8.370 nan 0.000 0.449 385 A N 0.423 123.105 122.820 -0.229 0.000 1.930 385 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 385 A C 2.542 179.999 177.584 -0.211 0.000 1.175 385 A CA 0.988 52.936 52.037 -0.148 0.000 0.627 385 A CB -0.665 18.330 19.000 -0.009 0.000 0.815 385 A HN 0.134 nan 8.150 nan 0.000 0.443 386 V N 0.032 119.681 119.914 -0.443 0.000 2.255 386 V HA -0.286 3.833 4.120 -0.001 0.000 0.247 386 V C 2.450 178.352 176.094 -0.321 0.000 1.051 386 V CA 2.225 64.248 62.300 -0.461 0.000 1.018 386 V CB -1.050 30.306 31.823 -0.779 0.000 0.641 386 V HN 0.662 nan 8.190 nan 0.000 0.445 387 H N -0.202 118.745 119.070 -0.204 0.000 2.457 387 H HA -0.119 4.437 4.556 -0.001 0.000 0.294 387 H C 2.419 177.712 175.328 -0.059 0.000 1.064 387 H CA 1.534 57.499 56.048 -0.139 0.000 1.330 387 H CB -0.143 29.496 29.762 -0.205 0.000 1.395 387 H HN 0.570 nan 8.280 nan 0.000 0.541 388 Q N 0.304 120.118 119.800 0.022 0.000 2.084 388 Q HA -0.063 4.277 4.340 -0.001 0.000 0.202 388 Q C 2.614 178.630 176.000 0.026 0.000 0.978 388 Q CA 1.298 57.111 55.803 0.018 0.000 0.844 388 Q CB -0.044 28.694 28.738 -0.001 0.000 0.898 388 Q HN 0.412 nan 8.270 nan 0.000 0.426 389 A N 1.173 124.004 122.820 0.017 0.000 1.883 389 A HA -0.287 4.033 4.320 -0.001 0.000 0.217 389 A C 1.963 179.580 177.584 0.055 0.000 1.186 389 A CA 1.714 53.776 52.037 0.041 0.000 0.624 389 A CB -0.620 18.406 19.000 0.043 0.000 0.822 389 A HN 0.452 nan 8.150 nan 0.000 0.444 390 E N -0.290 119.961 120.200 0.085 0.000 2.058 390 E HA -0.239 4.110 4.350 -0.001 0.000 0.194 390 E C 2.265 178.910 176.600 0.075 0.000 0.997 390 E CA 1.330 57.796 56.400 0.110 0.000 0.801 390 E CB -0.138 29.738 29.700 0.292 0.000 0.746 390 E HN 0.594 nan 8.360 nan 0.000 0.450 391 R N -0.285 120.259 120.500 0.075 0.000 2.148 391 R HA -0.045 4.295 4.340 -0.001 0.000 0.227 391 R C 2.130 178.450 176.300 0.033 0.000 1.103 391 R CA 0.845 56.974 56.100 0.049 0.000 0.983 391 R CB -0.156 30.167 30.300 0.038 0.000 0.874 391 R HN 0.126 nan 8.270 nan 0.000 0.451 392 A N 0.483 123.323 122.820 0.034 0.000 2.235 392 A HA 0.159 4.479 4.320 -0.001 0.000 0.208 392 A C 1.252 178.851 177.584 0.024 0.000 1.172 392 A CA 0.746 52.801 52.037 0.030 0.000 0.786 392 A CB -0.265 18.757 19.000 0.038 0.000 0.804 392 A HN 0.445 nan 8.150 nan 0.000 0.479 393 G N -0.819 107.992 108.800 0.019 0.000 2.198 393 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.257 393 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.257 393 G C 0.533 175.432 174.900 -0.002 0.000 1.042 393 G CA 0.588 45.691 45.100 0.005 0.000 0.791 393 G HN 0.644 nan 8.290 nan 0.000 0.502 394 Q N -0.867 118.936 119.800 0.005 0.000 2.384 394 Q HA 0.600 4.939 4.340 -0.001 0.000 0.207 394 Q C 0.905 176.886 176.000 -0.032 0.000 0.904 394 Q CA 1.190 57.002 55.803 0.015 0.000 0.933 394 Q CB 0.255 29.038 28.738 0.074 0.000 1.077 394 Q HN 1.419 nan 8.270 nan 0.000 0.522 395 A N 1.162 123.919 122.820 -0.105 0.000 2.577 395 A HA 0.444 4.763 4.320 -0.001 0.000 0.297 395 A C -1.637 175.720 177.584 -0.377 0.000 1.060 395 A CA -0.877 50.994 52.037 -0.277 0.000 0.697 395 A CB 1.165 19.922 19.000 -0.405 0.000 1.281 395 A HN 0.313 nan 8.150 nan 0.000 0.402 396 E N 1.220 121.184 120.200 -0.393 0.000 2.238 396 E HA 0.752 5.101 4.350 -0.001 0.000 0.267 396 E C -1.665 174.722 176.600 -0.355 0.000 0.887 396 E CA -0.604 55.617 56.400 -0.298 0.000 0.769 396 E CB 1.697 31.348 29.700 -0.083 0.000 1.187 396 E HN 0.332 nan 8.360 nan 0.000 0.416 397 F N 2.109 122.167 119.950 0.180 0.000 2.422 397 F HA 0.390 4.917 4.527 -0.000 0.000 0.333 397 F C -1.788 174.110 175.800 0.164 0.000 1.095 397 F CA -2.343 55.784 58.000 0.212 0.000 1.038 397 F CB 1.024 40.228 39.000 0.339 0.000 1.156 397 F HN 0.354 nan 8.300 nan 0.000 0.483 398 P HA 0.160 nan 4.420 nan 0.000 0.274 398 P C -0.601 176.837 177.300 0.230 0.000 1.231 398 P CA -0.364 62.863 63.100 0.212 0.000 0.790 398 P CB 0.879 32.673 31.700 0.157 0.000 0.951 399 T N -0.251 114.392 114.554 0.149 0.000 2.928 399 T HA 0.673 5.022 4.350 -0.001 0.000 0.284 399 T C -0.227 174.508 174.700 0.059 0.000 1.008 399 T CA -0.800 61.381 62.100 0.136 0.000 1.057 399 T CB 1.063 69.988 68.868 0.095 0.000 1.018 399 T HN 0.473 nan 8.240 nan 0.000 0.493 400 L N 1.611 122.874 121.223 0.067 0.000 2.472 400 L HA 0.714 5.053 4.340 -0.001 0.000 0.260 400 L C -0.768 176.111 176.870 0.014 0.000 0.963 400 L CA -0.442 54.337 54.840 -0.102 0.000 0.829 400 L CB 2.192 43.958 42.059 -0.489 0.000 1.348 400 L HN 1.114 nan 8.230 nan 0.000 0.408 401 S N 2.399 118.056 115.700 -0.072 0.000 2.595 401 S HA 1.059 5.528 4.470 -0.001 0.000 0.281 401 S C -0.335 174.201 174.600 -0.105 0.000 1.117 401 S CA -0.014 58.199 58.200 0.022 0.000 0.873 401 S CB 2.056 65.230 63.200 -0.044 0.000 1.108 401 S HN 1.710 nan 8.310 nan 0.000 0.477 402 G N 1.056 109.849 108.800 -0.012 0.000 2.331 402 G HA2 0.322 4.281 3.960 -0.001 0.000 0.479 402 G HA3 0.322 4.281 3.960 -0.001 0.000 0.479 402 G C -1.758 173.055 174.900 -0.145 0.000 1.262 402 G CA 0.024 45.019 45.100 -0.174 0.000 1.029 402 G HN 1.311 nan 8.290 nan 0.000 0.487 403 D N -1.790 118.381 120.400 -0.381 0.000 2.687 403 D HA 0.754 5.393 4.640 -0.001 0.000 0.264 403 D C -0.667 175.133 176.300 -0.834 0.000 1.091 403 D CA -1.001 52.801 54.000 -0.331 0.000 1.123 403 D CB 1.044 41.825 40.800 -0.032 0.000 1.407 403 D HN 0.418 nan 8.370 nan 0.000 0.591 404 F N -0.529 119.297 119.950 -0.207 0.000 2.688 404 F HA 0.394 4.920 4.527 -0.001 0.000 0.376 404 F C -0.962 174.676 175.800 -0.270 0.000 1.428 404 F CA -0.639 57.244 58.000 -0.195 0.000 1.156 404 F CB 0.236 39.153 39.000 -0.139 0.000 1.141 404 F HN -0.006 nan 8.300 nan 0.000 0.521 405 F N -0.579 119.557 119.950 0.310 0.000 2.522 405 F HA 0.585 5.112 4.527 -0.001 0.000 0.324 405 F C 0.579 176.633 175.800 0.424 0.000 1.077 405 F CA -1.368 56.878 58.000 0.411 0.000 0.944 405 F CB 1.692 40.927 39.000 0.391 0.000 1.175 405 F HN -0.274 nan 8.300 nan 0.000 0.468 406 T N 2.066 116.999 114.554 0.631 0.000 2.795 406 T HA 0.179 4.529 4.350 -0.001 0.000 0.282 406 T C -0.992 174.170 174.700 0.771 0.000 0.980 406 T CA -0.277 62.266 62.100 0.739 0.000 1.012 406 T CB 0.221 69.400 68.868 0.519 0.000 0.936 406 T HN 0.367 nan 8.240 nan 0.000 0.457 407 Y N 3.111 123.730 120.300 0.532 0.000 2.610 407 Y HA 0.384 4.934 4.550 -0.001 0.000 0.332 407 Y C -0.107 175.825 175.900 0.053 0.000 1.201 407 Y CA -1.067 57.165 58.100 0.219 0.000 1.465 407 Y CB 0.025 38.496 38.460 0.019 0.000 1.283 407 Y HN 0.672 nan 8.280 nan 0.000 0.563 408 A N 5.395 127.814 122.820 -0.667 0.000 2.359 408 A HA 0.364 4.684 4.320 -0.001 0.000 0.303 408 A C -0.027 177.027 177.584 -0.882 0.000 1.066 408 A CA -0.278 51.205 52.037 -0.923 0.000 0.730 408 A CB 0.641 18.797 19.000 -1.407 0.000 1.211 408 A HN 0.792 nan 8.150 nan 0.000 0.439 409 D N 1.683 121.667 120.400 -0.693 0.000 2.354 409 D HA 0.059 4.699 4.640 -0.001 0.000 0.209 409 D C 0.497 176.831 176.300 0.058 0.000 1.015 409 D CA 0.463 54.288 54.000 -0.292 0.000 0.867 409 D CB 0.140 40.818 40.800 -0.204 0.000 0.933 409 D HN 0.734 nan 8.370 nan 0.000 0.520 410 R N -2.461 118.009 120.500 -0.050 0.000 2.739 410 R HA 0.366 4.706 4.340 -0.001 0.000 0.266 410 R C -0.174 176.032 176.300 -0.156 0.000 1.044 410 R CA -0.130 55.792 56.100 -0.296 0.000 0.885 410 R CB 0.557 30.749 30.300 -0.181 0.000 1.260 410 R HN -0.115 nan 8.270 nan 0.000 0.477 411 S N 0.360 115.911 115.700 -0.248 0.000 4.050 411 S HA -0.308 4.161 4.470 -0.001 0.000 0.602 411 S C 0.503 175.202 174.600 0.165 0.000 2.030 411 S CA 2.021 60.220 58.200 -0.003 0.000 4.208 411 S CB -1.081 62.104 63.200 -0.025 0.000 0.290 411 S HN 1.096 nan 8.310 nan 0.000 0.615 412 D N 1.367 121.853 120.400 0.143 0.000 2.388 412 D HA 0.194 4.833 4.640 -0.001 0.000 0.221 412 D C 0.052 176.492 176.300 0.235 0.000 1.133 412 D CA -0.129 54.031 54.000 0.266 0.000 0.831 412 D CB -1.474 39.453 40.800 0.212 0.000 0.962 412 D HN 0.528 nan 8.370 nan 0.000 0.502 413 N N 0.944 119.677 118.700 0.055 0.000 2.739 413 N HA 0.041 4.780 4.740 -0.001 0.000 0.266 413 N C -0.923 174.621 175.510 0.056 0.000 1.168 413 N CA -0.287 52.789 53.050 0.043 0.000 1.055 413 N CB 0.102 38.589 38.487 -0.000 0.000 1.393 413 N HN 0.135 nan 8.380 nan 0.000 0.514 414 Y N 0.261 120.648 120.300 0.145 0.000 2.316 414 Y HA 0.113 4.662 4.550 -0.001 0.000 0.331 414 Y C 0.082 176.177 175.900 0.325 0.000 1.083 414 Y CA -0.654 57.593 58.100 0.245 0.000 1.206 414 Y CB 0.554 39.112 38.460 0.162 0.000 1.195 414 Y HN 0.389 nan 8.280 nan 0.000 0.497 415 W N 2.520 123.945 121.300 0.208 0.000 1.603 415 W HA 0.239 4.899 4.660 -0.001 0.000 0.392 415 W C 0.808 177.366 176.519 0.065 0.000 0.661 415 W CA -0.657 56.838 57.345 0.250 0.000 2.021 415 W CB -0.452 29.259 29.460 0.418 0.000 1.759 415 W HN 0.555 nan 8.180 nan 0.000 0.334 416 S N -2.035 113.689 115.700 0.041 0.000 2.535 416 S HA 0.129 4.599 4.470 -0.001 0.000 0.214 416 S C 1.954 176.265 174.600 -0.481 0.000 0.980 416 S CA 0.334 58.189 58.200 -0.575 0.000 0.907 416 S CB 0.168 63.356 63.200 -0.021 0.000 0.790 416 S HN 0.341 nan 8.310 nan 0.000 0.510 417 G N 2.072 110.798 108.800 -0.123 0.000 2.418 417 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.217 417 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.217 417 G C 1.259 176.132 174.900 -0.044 0.000 1.158 417 G CA 0.949 45.995 45.100 -0.091 0.000 0.771 417 G HN 0.797 nan 8.290 nan 0.000 0.545 418 Y N -0.409 119.864 120.300 -0.046 0.000 2.632 418 Y HA 0.144 4.694 4.550 -0.001 0.000 0.301 418 Y C 1.808 177.837 175.900 0.215 0.000 1.172 418 Y CA -0.327 57.826 58.100 0.088 0.000 1.328 418 Y CB -0.361 38.229 38.460 0.216 0.000 1.016 418 Y HN 0.185 nan 8.280 nan 0.000 0.529 419 Y N 0.559 120.616 120.300 -0.404 0.000 2.497 419 Y HA -0.032 4.517 4.550 -0.001 0.000 0.292 419 Y C 1.740 177.585 175.900 -0.091 0.000 1.137 419 Y CA 0.635 58.545 58.100 -0.316 0.000 1.285 419 Y CB -0.733 37.583 38.460 -0.239 0.000 0.991 419 Y HN 0.310 nan 8.280 nan 0.000 0.556 420 T N -2.714 111.903 114.554 0.104 0.000 2.980 420 T HA 0.080 4.429 4.350 -0.001 0.000 0.252 420 T C 0.716 175.504 174.700 0.147 0.000 0.962 420 T CA -0.057 62.109 62.100 0.110 0.000 0.932 420 T CB 0.006 68.906 68.868 0.054 0.000 1.188 420 T HN -0.062 nan 8.240 nan 0.000 0.500 421 S N 2.442 118.226 115.700 0.140 0.000 2.573 421 S HA 0.174 4.643 4.470 -0.001 0.000 0.297 421 S C 0.409 175.149 174.600 0.233 0.000 1.280 421 S CA 0.009 58.306 58.200 0.162 0.000 1.061 421 S CB 0.085 63.367 63.200 0.137 0.000 0.812 421 S HN 0.405 nan 8.310 nan 0.000 0.500 422 R N 0.955 121.611 120.500 0.259 0.000 3.205 422 R HA -0.126 4.214 4.340 -0.001 0.000 0.249 422 R C -1.981 174.576 176.300 0.427 0.000 0.937 422 R CA 0.693 57.023 56.100 0.383 0.000 0.641 422 R CB -1.771 28.787 30.300 0.430 0.000 1.114 422 R HN 0.515 nan 8.270 nan 0.000 0.451 423 P HA -0.213 nan 4.420 nan 0.000 0.223 423 P C 1.085 178.601 177.300 0.361 0.000 1.151 423 P CA 0.927 64.249 63.100 0.371 0.000 0.787 423 P CB -0.011 31.951 31.700 0.438 0.000 0.788 424 Y N 1.525 121.922 120.300 0.161 0.000 2.128 424 Y HA -0.255 4.294 4.550 -0.001 0.000 0.284 424 Y C 2.261 178.163 175.900 0.003 0.000 1.154 424 Y CA 2.082 60.188 58.100 0.011 0.000 1.149 424 Y CB -0.901 37.427 38.460 -0.219 0.000 0.976 424 Y HN 0.065 nan 8.280 nan 0.000 0.505 425 H N -0.932 118.374 119.070 0.392 0.000 2.482 425 H HA 0.040 4.595 4.556 -0.001 0.000 0.286 425 H C 2.045 177.530 175.328 0.262 0.000 1.017 425 H CA 1.101 57.302 56.048 0.255 0.000 1.322 425 H CB -0.049 29.931 29.762 0.364 0.000 1.426 425 H HN 0.230 nan 8.280 nan 0.000 0.546 426 K N 0.483 121.123 120.400 0.400 0.000 2.032 426 K HA -0.197 4.122 4.320 -0.001 0.000 0.209 426 K C 2.260 178.934 176.600 0.122 0.000 1.048 426 K CA 1.500 57.953 56.287 0.278 0.000 0.927 426 K CB 0.022 32.660 32.500 0.229 0.000 0.712 426 K HN 0.047 nan 8.250 nan 0.000 0.441 427 R N 1.304 121.847 120.500 0.073 0.000 2.075 427 R HA -0.011 4.329 4.340 -0.001 0.000 0.232 427 R C 2.089 178.182 176.300 -0.344 0.000 1.126 427 R CA 1.445 57.521 56.100 -0.040 0.000 0.963 427 R CB -0.418 29.947 30.300 0.108 0.000 0.858 427 R HN 0.163 nan 8.270 nan 0.000 0.435 428 M N 0.321 119.600 119.600 -0.536 0.000 2.149 428 M HA -0.213 4.267 4.480 -0.001 0.000 0.261 428 M C 1.473 177.475 176.300 -0.497 0.000 1.064 428 M CA 2.431 57.178 55.300 -0.923 0.000 1.102 428 M CB -0.335 31.884 32.600 -0.636 0.000 1.369 428 M HN 0.309 nan 8.290 nan 0.000 0.408 429 D N -0.363 119.930 120.400 -0.179 0.000 2.133 429 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 429 D C 1.905 178.145 176.300 -0.100 0.000 0.997 429 D CA 1.449 55.442 54.000 -0.011 0.000 0.840 429 D CB 0.133 41.072 40.800 0.232 0.000 0.947 429 D HN 0.215 nan 8.370 nan 0.000 0.452 430 R N 0.076 120.494 120.500 -0.137 0.000 2.090 430 R HA -0.012 4.327 4.340 -0.001 0.000 0.228 430 R C 2.466 178.648 176.300 -0.197 0.000 1.110 430 R CA 0.486 56.497 56.100 -0.149 0.000 0.973 430 R CB -0.994 29.234 30.300 -0.120 0.000 0.869 430 R HN 0.256 nan 8.270 nan 0.000 0.440 431 V N 1.736 121.468 119.914 -0.303 0.000 2.255 431 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 431 V C 2.426 178.457 176.094 -0.104 0.000 1.051 431 V CA 1.689 63.821 62.300 -0.280 0.000 1.018 431 V CB -0.651 30.793 31.823 -0.632 0.000 0.641 431 V HN 0.143 nan 8.190 nan 0.000 0.445 432 L N -0.395 120.721 121.223 -0.178 0.000 2.046 432 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 432 L C 2.351 179.184 176.870 -0.062 0.000 1.077 432 L CA 2.173 56.968 54.840 -0.074 0.000 0.747 432 L CB -0.704 41.279 42.059 -0.126 0.000 0.896 432 L HN 0.340 nan 8.230 nan 0.000 0.432 433 M N -1.272 118.266 119.600 -0.104 0.000 2.088 433 M HA -0.356 4.124 4.480 -0.001 0.000 0.256 433 M C 2.392 178.606 176.300 -0.144 0.000 1.071 433 M CA 2.518 57.737 55.300 -0.135 0.000 1.097 433 M CB -0.445 32.041 32.600 -0.189 0.000 1.315 433 M HN 0.585 nan 8.290 nan 0.000 0.406 434 H N -0.859 118.072 119.070 -0.231 0.000 2.357 434 H HA -0.151 4.404 4.556 -0.001 0.000 0.301 434 H C 1.438 176.618 175.328 -0.246 0.000 1.082 434 H CA 2.309 58.189 56.048 -0.279 0.000 1.342 434 H CB -0.337 29.193 29.762 -0.387 0.000 1.389 434 H HN 0.496 nan 8.280 nan 0.000 0.511 435 Y N -0.535 119.617 120.300 -0.246 0.000 2.293 435 Y HA -0.122 4.428 4.550 -0.001 0.000 0.291 435 Y C 2.672 178.449 175.900 -0.205 0.000 1.137 435 Y CA 1.098 59.053 58.100 -0.243 0.000 1.202 435 Y CB -0.392 37.992 38.460 -0.127 0.000 0.990 435 Y HN 0.111 nan 8.280 nan 0.000 0.537 436 V N 0.192 120.079 119.914 -0.045 0.000 2.261 436 V HA -0.328 3.791 4.120 -0.001 0.000 0.246 436 V C 2.517 178.548 176.094 -0.105 0.000 1.047 436 V CA 2.236 64.492 62.300 -0.073 0.000 1.015 436 V CB -0.622 31.151 31.823 -0.083 0.000 0.642 436 V HN 0.304 nan 8.190 nan 0.000 0.446 437 R N 0.392 120.800 120.500 -0.152 0.000 2.096 437 R HA -0.222 4.118 4.340 -0.001 0.000 0.240 437 R C 2.263 178.503 176.300 -0.101 0.000 1.139 437 R CA 2.055 58.077 56.100 -0.131 0.000 0.952 437 R CB -0.556 29.656 30.300 -0.147 0.000 0.854 437 R HN 0.470 nan 8.270 nan 0.000 0.436 438 A N 0.599 123.305 122.820 -0.190 0.000 1.902 438 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 438 A C 2.399 179.983 177.584 -0.000 0.000 1.181 438 A CA 1.734 53.746 52.037 -0.043 0.000 0.623 438 A CB -0.849 18.074 19.000 -0.129 0.000 0.818 438 A HN 0.594 nan 8.150 nan 0.000 0.443 439 A N -0.189 122.622 122.820 -0.015 0.000 1.877 439 A HA -0.173 4.147 4.320 -0.001 0.000 0.216 439 A C 1.944 179.497 177.584 -0.050 0.000 1.186 439 A CA 1.600 53.626 52.037 -0.018 0.000 0.620 439 A CB -0.568 18.419 19.000 -0.021 0.000 0.822 439 A HN 0.621 nan 8.150 nan 0.000 0.443 440 E N -1.001 119.161 120.200 -0.063 0.000 2.110 440 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 440 E C 2.061 178.605 176.600 -0.094 0.000 0.988 440 E CA 1.411 57.761 56.400 -0.083 0.000 0.804 440 E CB -0.261 29.389 29.700 -0.083 0.000 0.745 440 E HN 0.762 nan 8.360 nan 0.000 0.458 441 M N 0.705 120.271 119.600 -0.057 0.000 2.098 441 M HA -0.135 4.345 4.480 -0.001 0.000 0.262 441 M C 2.206 178.494 176.300 -0.021 0.000 1.072 441 M CA 1.291 56.553 55.300 -0.063 0.000 1.133 441 M CB 0.013 32.667 32.600 0.090 0.000 1.344 441 M HN 0.064 nan 8.290 nan 0.000 0.414 442 L N 0.256 121.528 121.223 0.083 0.000 2.081 442 L HA -0.221 4.119 4.340 -0.001 0.000 0.212 442 L C 2.649 179.678 176.870 0.265 0.000 1.080 442 L CA 1.830 56.775 54.840 0.174 0.000 0.754 442 L CB -0.600 41.423 42.059 -0.060 0.000 0.893 442 L HN 0.537 nan 8.230 nan 0.000 0.433 443 S N -1.026 114.753 115.700 0.132 0.000 2.527 443 S HA 0.059 4.529 4.470 -0.001 0.000 0.222 443 S C 1.972 176.748 174.600 0.293 0.000 0.985 443 S CA 0.397 58.745 58.200 0.247 0.000 0.921 443 S CB -0.018 63.132 63.200 -0.084 0.000 0.772 443 S HN 0.307 nan 8.310 nan 0.000 0.529 444 A N 0.882 123.694 122.820 -0.012 0.000 2.015 444 A HA 0.095 4.415 4.320 -0.001 0.000 0.219 444 A C 1.705 179.183 177.584 -0.178 0.000 1.163 444 A CA 0.766 52.693 52.037 -0.183 0.000 0.646 444 A CB -1.149 17.591 19.000 -0.432 0.000 0.806 444 A HN 0.764 nan 8.150 nan 0.000 0.448 445 W N -0.656 120.653 121.300 0.014 0.000 2.392 445 W HA -0.008 4.651 4.660 -0.001 0.000 0.279 445 W C 0.856 177.157 176.519 -0.363 0.000 1.225 445 W CA 0.944 58.195 57.345 -0.158 0.000 1.233 445 W CB -0.150 29.173 29.460 -0.228 0.000 1.122 445 W HN 0.387 nan 8.180 nan 0.000 0.561 446 H N -2.048 117.086 119.070 0.107 0.000 2.731 446 H HA 0.357 4.912 4.556 -0.001 0.000 0.368 446 H C -0.285 174.953 175.328 -0.150 0.000 1.168 446 H CA -0.912 55.036 56.048 -0.167 0.000 1.181 446 H CB 1.604 31.010 29.762 -0.593 0.000 1.743 446 H HN -0.423 nan 8.280 nan 0.000 0.547 447 S N 1.207 116.880 115.700 -0.045 0.000 2.545 447 S HA 0.141 4.610 4.470 -0.001 0.000 0.275 447 S C -1.059 173.457 174.600 -0.141 0.000 1.299 447 S CA -0.539 57.655 58.200 -0.010 0.000 1.048 447 S CB 0.156 63.353 63.200 -0.004 0.000 0.938 447 S HN 0.322 nan 8.310 nan 0.000 0.496 448 W N 1.546 122.849 121.300 0.005 0.000 2.606 448 W HA 0.350 5.009 4.660 -0.001 0.000 0.332 448 W C 0.091 176.570 176.519 -0.066 0.000 1.052 448 W CA -0.970 56.352 57.345 -0.039 0.000 1.223 448 W CB 0.478 29.883 29.460 -0.091 0.000 1.383 448 W HN 0.554 nan 8.180 nan 0.000 0.524 449 D N 0.807 121.288 120.400 0.135 0.000 2.472 449 D HA 0.146 4.785 4.640 -0.001 0.000 0.237 449 D C 1.658 177.956 176.300 -0.003 0.000 1.141 449 D CA 1.155 55.194 54.000 0.065 0.000 0.875 449 D CB 1.224 42.084 40.800 0.101 0.000 1.192 449 D HN 0.552 nan 8.370 nan 0.000 0.450 450 G N 3.177 111.985 108.800 0.013 0.000 2.475 450 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.220 450 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.220 450 G C 1.334 176.207 174.900 -0.044 0.000 1.125 450 G CA 0.539 45.634 45.100 -0.008 0.000 0.755 450 G HN 0.498 nan 8.290 nan 0.000 0.565 451 M N 1.024 120.608 119.600 -0.026 0.000 2.358 451 M HA 0.066 4.546 4.480 -0.001 0.000 0.264 451 M C 2.838 179.054 176.300 -0.141 0.000 1.064 451 M CA 0.922 56.229 55.300 0.011 0.000 1.093 451 M CB -0.938 31.766 32.600 0.173 0.000 1.401 451 M HN 0.325 nan 8.290 nan 0.000 0.440 452 A N 0.020 122.504 122.820 -0.560 0.000 2.119 452 A HA -0.073 4.246 4.320 -0.001 0.000 0.217 452 A C 1.253 178.628 177.584 -0.348 0.000 1.153 452 A CA 0.533 52.020 52.037 -0.916 0.000 0.692 452 A CB -0.417 17.947 19.000 -1.060 0.000 0.799 452 A HN 0.596 nan 8.150 nan 0.000 0.458 453 R N -1.801 118.574 120.500 -0.207 0.000 3.627 453 R HA -0.186 4.153 4.340 -0.001 0.000 0.281 453 R C 0.643 176.838 176.300 -0.176 0.000 1.140 453 R CA 0.704 56.725 56.100 -0.131 0.000 0.761 453 R CB -2.066 28.192 30.300 -0.071 0.000 1.181 453 R HN 0.478 nan 8.270 nan 0.000 0.472 454 I N 0.521 120.936 120.570 -0.257 0.000 2.163 454 I HA -0.182 3.987 4.170 -0.001 0.000 0.240 454 I C 2.173 178.170 176.117 -0.200 0.000 1.081 454 I CA 1.652 62.753 61.300 -0.332 0.000 1.353 454 I CB -0.745 36.908 38.000 -0.578 0.000 1.054 454 I HN 0.195 nan 8.210 nan 0.000 0.407 455 E N 0.758 120.877 120.200 -0.134 0.000 2.085 455 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 455 E C 2.106 178.663 176.600 -0.072 0.000 0.994 455 E CA 1.364 57.714 56.400 -0.084 0.000 0.801 455 E CB -0.250 29.424 29.700 -0.044 0.000 0.743 455 E HN 0.475 nan 8.360 nan 0.000 0.453 456 E N 0.395 120.554 120.200 -0.068 0.000 2.038 456 E HA -0.263 4.086 4.350 -0.001 0.000 0.195 456 E C 1.997 178.560 176.600 -0.062 0.000 1.000 456 E CA 1.144 57.513 56.400 -0.052 0.000 0.803 456 E CB 0.077 29.751 29.700 -0.043 0.000 0.750 456 E HN -0.027 nan 8.360 nan 0.000 0.448 457 R N 0.288 120.738 120.500 -0.082 0.000 2.096 457 R HA -0.026 4.313 4.340 -0.001 0.000 0.235 457 R C 2.391 178.640 176.300 -0.086 0.000 1.127 457 R CA 0.926 56.978 56.100 -0.081 0.000 0.968 457 R CB -0.479 29.765 30.300 -0.094 0.000 0.861 457 R HN 0.285 nan 8.270 nan 0.000 0.440 458 L N -0.181 120.982 121.223 -0.100 0.000 2.056 458 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 458 L C 2.390 179.203 176.870 -0.095 0.000 1.078 458 L CA 1.497 56.278 54.840 -0.098 0.000 0.749 458 L CB -0.446 41.549 42.059 -0.107 0.000 0.901 458 L HN 0.298 nan 8.230 nan 0.000 0.433 459 E N 0.150 120.298 120.200 -0.086 0.000 2.051 459 E HA -0.313 4.036 4.350 -0.001 0.000 0.192 459 E C 2.211 178.745 176.600 -0.111 0.000 0.991 459 E CA 1.460 57.803 56.400 -0.096 0.000 0.799 459 E CB -0.042 29.624 29.700 -0.058 0.000 0.748 459 E HN 0.408 nan 8.360 nan 0.000 0.449 460 Q N 0.032 119.785 119.800 -0.077 0.000 2.045 460 Q HA -0.251 4.088 4.340 -0.001 0.000 0.206 460 Q C 2.127 178.081 176.000 -0.076 0.000 0.991 460 Q CA 1.860 57.625 55.803 -0.064 0.000 0.851 460 Q CB -0.284 28.428 28.738 -0.042 0.000 0.911 460 Q HN 0.373 nan 8.270 nan 0.000 0.418 461 A N 1.010 123.783 122.820 -0.078 0.000 1.883 461 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 461 A C 2.101 179.628 177.584 -0.095 0.000 1.186 461 A CA 1.599 53.591 52.037 -0.075 0.000 0.624 461 A CB -0.565 18.392 19.000 -0.071 0.000 0.822 461 A HN 0.381 nan 8.150 nan 0.000 0.444 462 R N -0.866 119.557 120.500 -0.128 0.000 2.081 462 R HA -0.093 4.247 4.340 -0.001 0.000 0.235 462 R C 2.496 178.649 176.300 -0.245 0.000 1.131 462 R CA 1.614 57.612 56.100 -0.170 0.000 0.960 462 R CB -0.290 29.898 30.300 -0.187 0.000 0.856 462 R HN 0.508 nan 8.270 nan 0.000 0.436 463 R N 0.280 120.600 120.500 -0.300 0.000 2.092 463 R HA -0.083 4.256 4.340 -0.001 0.000 0.231 463 R C 2.117 178.365 176.300 -0.087 0.000 1.119 463 R CA 1.011 56.873 56.100 -0.396 0.000 0.970 463 R CB -0.033 30.065 30.300 -0.337 0.000 0.864 463 R HN 0.203 nan 8.270 nan 0.000 0.440 464 E N 0.805 120.985 120.200 -0.033 0.000 2.072 464 E HA -0.160 4.189 4.350 -0.001 0.000 0.190 464 E C 1.995 178.638 176.600 0.071 0.000 0.982 464 E CA 0.720 57.147 56.400 0.044 0.000 0.803 464 E CB -0.241 29.473 29.700 0.023 0.000 0.755 464 E HN 0.144 nan 8.360 nan 0.000 0.453 465 L N 1.206 122.439 121.223 0.016 0.000 2.083 465 L HA -0.087 4.253 4.340 -0.001 0.000 0.209 465 L C 2.178 179.101 176.870 0.088 0.000 1.083 465 L CA 1.597 56.465 54.840 0.046 0.000 0.752 465 L CB -0.586 41.464 42.059 -0.014 0.000 0.899 465 L HN -0.093 nan 8.230 nan 0.000 0.433 466 S N -0.585 115.133 115.700 0.030 0.000 2.368 466 S HA -0.153 4.317 4.470 -0.001 0.000 0.224 466 S C 1.830 176.580 174.600 0.251 0.000 1.029 466 S CA 1.426 59.673 58.200 0.078 0.000 0.988 466 S CB -0.516 62.613 63.200 -0.118 0.000 0.838 466 S HN 0.462 nan 8.310 nan 0.000 0.462 467 L N 0.754 122.172 121.223 0.326 0.000 2.042 467 L HA -0.053 4.286 4.340 -0.001 0.000 0.210 467 L C 1.867 178.844 176.870 0.177 0.000 1.076 467 L CA 1.707 56.726 54.840 0.299 0.000 0.749 467 L CB -0.648 41.561 42.059 0.250 0.000 0.893 467 L HN 0.299 nan 8.230 nan 0.000 0.432 468 F N -0.252 119.670 119.950 -0.046 0.000 2.451 468 F HA -0.136 4.391 4.527 -0.001 0.000 0.299 468 F C 2.199 177.916 175.800 -0.138 0.000 1.101 468 F CA 0.869 58.726 58.000 -0.239 0.000 1.436 468 F CB -0.248 38.653 39.000 -0.165 0.000 1.074 468 F HN 0.259 nan 8.300 nan 0.000 0.553 469 Q N -0.415 119.347 119.800 -0.063 0.000 2.437 469 Q HA -0.151 4.188 4.340 -0.001 0.000 0.210 469 Q C 0.595 176.531 176.000 -0.105 0.000 0.972 469 Q CA 0.522 56.266 55.803 -0.098 0.000 0.903 469 Q CB -1.320 27.431 28.738 0.022 0.000 0.967 469 Q HN 0.507 nan 8.270 nan 0.000 0.486 470 H N 1.954 120.914 119.070 -0.184 0.000 3.073 470 H HA -0.122 4.433 4.556 -0.001 0.000 0.340 470 H C 1.230 176.406 175.328 -0.252 0.000 1.054 470 H CA 0.799 56.734 56.048 -0.187 0.000 1.372 470 H CB 0.544 30.215 29.762 -0.153 0.000 1.314 470 H HN 0.250 nan 8.280 nan 0.000 0.603 471 H N 1.991 120.590 119.070 -0.786 0.000 2.553 471 H HA 0.025 4.581 4.556 -0.001 0.000 0.269 471 H C -0.338 174.535 175.328 -0.758 0.000 1.011 471 H CA 0.583 56.155 56.048 -0.794 0.000 1.150 471 H CB 0.308 29.590 29.762 -0.799 0.000 1.339 471 H HN 0.607 nan 8.280 nan 0.000 0.604 472 D N 0.383 120.115 120.400 -1.114 0.000 2.503 472 D HA 0.121 4.761 4.640 -0.001 0.000 0.218 472 D C 1.580 177.887 176.300 0.012 0.000 1.183 472 D CA 0.252 54.129 54.000 -0.204 0.000 0.827 472 D CB 0.912 41.837 40.800 0.208 0.000 1.034 472 D HN 0.518 nan 8.370 nan 0.000 0.510 473 G N 1.334 109.916 108.800 -0.363 0.000 2.549 473 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.219 473 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.219 473 G C 1.352 175.648 174.900 -1.007 0.000 1.677 473 G CA -0.203 44.411 45.100 -0.811 0.000 0.929 473 G HN 0.187 nan 8.290 nan 0.000 0.549 474 I N 1.942 121.619 120.570 -1.488 0.000 2.423 474 I HA -0.204 3.965 4.170 -0.001 0.000 0.254 474 I C 2.908 178.927 176.117 -0.164 0.000 1.151 474 I CA 2.144 62.881 61.300 -0.938 0.000 1.421 474 I CB -0.076 37.569 38.000 -0.592 0.000 1.079 474 I HN 0.387 nan 8.210 nan 0.000 0.431 475 T N -1.493 113.021 114.554 -0.066 0.000 3.007 475 T HA -0.000 4.349 4.350 -0.001 0.000 0.270 475 T C 1.542 176.401 174.700 0.265 0.000 1.107 475 T CA 0.647 62.910 62.100 0.272 0.000 1.118 475 T CB -0.667 68.367 68.868 0.276 0.000 0.889 475 T HN 0.661 nan 8.240 nan 0.000 0.506 476 G N 1.553 110.460 108.800 0.178 0.000 2.221 476 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.265 476 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.265 476 G C 0.528 175.512 174.900 0.141 0.000 1.041 476 G CA 0.637 45.864 45.100 0.212 0.000 0.807 476 G HN 1.131 nan 8.290 nan 0.000 0.502 477 T N -3.457 111.175 114.554 0.129 0.000 3.215 477 T HA 0.727 5.077 4.350 -0.001 0.000 0.271 477 T C 0.890 175.797 174.700 0.345 0.000 1.012 477 T CA 0.985 63.096 62.100 0.018 0.000 0.899 477 T CB 0.989 69.693 68.868 -0.273 0.000 1.089 477 T HN 1.559 nan 8.240 nan 0.000 0.552 478 A N 1.350 124.385 122.820 0.358 0.000 2.269 478 A HA 0.654 4.973 4.320 -0.001 0.000 0.319 478 A C 0.263 177.948 177.584 0.168 0.000 1.110 478 A CA -0.920 51.354 52.037 0.395 0.000 0.847 478 A CB 0.773 20.044 19.000 0.452 0.000 1.161 478 A HN 0.398 nan 8.150 nan 0.000 0.497 479 K N 0.051 120.476 120.400 0.041 0.000 2.397 479 K HA 0.078 4.398 4.320 -0.001 0.000 0.265 479 K C 1.139 177.744 176.600 0.008 0.000 0.982 479 K CA 0.489 56.777 56.287 0.002 0.000 0.931 479 K CB 0.281 32.769 32.500 -0.019 0.000 0.943 479 K HN 0.761 nan 8.250 nan 0.000 0.501 480 T N 1.515 116.104 114.554 0.058 0.000 2.624 480 T HA -0.223 4.127 4.350 -0.001 0.000 0.268 480 T C 1.696 176.427 174.700 0.052 0.000 1.041 480 T CA 1.967 64.108 62.100 0.067 0.000 1.159 480 T CB -0.442 68.474 68.868 0.080 0.000 0.863 480 T HN 0.707 nan 8.240 nan 0.000 0.434 481 H N 0.595 119.657 119.070 -0.013 0.000 2.457 481 H HA 0.080 4.635 4.556 -0.001 0.000 0.294 481 H C 2.056 177.356 175.328 -0.047 0.000 1.064 481 H CA 1.020 57.052 56.048 -0.026 0.000 1.330 481 H CB -0.772 28.966 29.762 -0.039 0.000 1.395 481 H HN 0.290 nan 8.280 nan 0.000 0.541 482 V N 1.252 120.801 119.914 -0.608 0.000 2.407 482 V HA -0.175 3.945 4.120 -0.001 0.000 0.245 482 V C 3.075 178.978 176.094 -0.319 0.000 1.041 482 V CA 1.137 63.120 62.300 -0.529 0.000 1.040 482 V CB -0.517 31.049 31.823 -0.427 0.000 0.671 482 V HN 0.233 nan 8.190 nan 0.000 0.455 483 V N 0.124 119.987 119.914 -0.084 0.000 2.282 483 V HA -0.262 3.857 4.120 -0.001 0.000 0.249 483 V C 2.488 178.568 176.094 -0.023 0.000 1.057 483 V CA 2.083 64.399 62.300 0.026 0.000 1.032 483 V CB -0.649 31.158 31.823 -0.027 0.000 0.645 483 V HN 0.413 nan 8.190 nan 0.000 0.447 484 V N 0.480 120.387 119.914 -0.013 0.000 2.282 484 V HA -0.349 3.770 4.120 -0.001 0.000 0.249 484 V C 2.334 178.448 176.094 0.032 0.000 1.057 484 V CA 2.562 64.885 62.300 0.039 0.000 1.032 484 V CB -0.770 31.084 31.823 0.052 0.000 0.645 484 V HN 0.657 nan 8.190 nan 0.000 0.447 485 D N -1.138 119.236 120.400 -0.044 0.000 2.104 485 D HA -0.208 4.431 4.640 -0.001 0.000 0.194 485 D C 2.012 178.329 176.300 0.027 0.000 0.994 485 D CA 1.542 55.514 54.000 -0.047 0.000 0.830 485 D CB -0.196 40.517 40.800 -0.145 0.000 0.959 485 D HN 0.493 nan 8.370 nan 0.000 0.452 486 Y N 1.036 121.379 120.300 0.072 0.000 2.165 486 Y HA -0.080 4.469 4.550 -0.001 0.000 0.286 486 Y C 2.455 178.329 175.900 -0.045 0.000 1.155 486 Y CA 1.294 59.431 58.100 0.062 0.000 1.164 486 Y CB -0.778 37.786 38.460 0.175 0.000 0.978 486 Y HN 0.165 nan 8.280 nan 0.000 0.513 487 E N 0.068 120.369 120.200 0.168 0.000 2.051 487 E HA -0.262 4.087 4.350 -0.001 0.000 0.192 487 E C 2.043 178.726 176.600 0.139 0.000 0.991 487 E CA 1.423 57.940 56.400 0.194 0.000 0.799 487 E CB -0.062 29.842 29.700 0.340 0.000 0.748 487 E HN 0.570 nan 8.360 nan 0.000 0.449 488 Q N -0.016 119.852 119.800 0.114 0.000 2.061 488 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 488 Q C 2.348 178.390 176.000 0.069 0.000 0.984 488 Q CA 1.601 57.455 55.803 0.085 0.000 0.846 488 Q CB -0.110 28.669 28.738 0.068 0.000 0.902 488 Q HN 0.198 nan 8.270 nan 0.000 0.421 489 R N -0.028 120.519 120.500 0.078 0.000 2.081 489 R HA -0.076 4.263 4.340 -0.001 0.000 0.235 489 R C 2.280 178.602 176.300 0.037 0.000 1.131 489 R CA 1.461 57.601 56.100 0.066 0.000 0.960 489 R CB -0.170 30.195 30.300 0.108 0.000 0.856 489 R HN 0.305 nan 8.270 nan 0.000 0.436 490 M N -0.047 119.565 119.600 0.020 0.000 2.229 490 M HA -0.168 4.311 4.480 -0.001 0.000 0.264 490 M C 2.307 178.602 176.300 -0.008 0.000 1.063 490 M CA 1.337 56.618 55.300 -0.033 0.000 1.114 490 M CB -0.116 32.406 32.600 -0.130 0.000 1.387 490 M HN 0.038 nan 8.290 nan 0.000 0.420 491 Q N 0.966 120.790 119.800 0.040 0.000 2.084 491 Q HA -0.172 4.167 4.340 -0.001 0.000 0.202 491 Q C 1.737 177.746 176.000 0.015 0.000 0.978 491 Q CA 1.680 57.515 55.803 0.054 0.000 0.844 491 Q CB -0.127 28.663 28.738 0.086 0.000 0.898 491 Q HN 0.340 nan 8.270 nan 0.000 0.426 492 E N -0.064 120.144 120.200 0.013 0.000 2.077 492 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 492 E C 1.853 178.440 176.600 -0.022 0.000 0.989 492 E CA 1.211 57.610 56.400 -0.002 0.000 0.800 492 E CB -0.516 29.189 29.700 0.007 0.000 0.746 492 E HN 0.463 nan 8.360 nan 0.000 0.452 493 A N 1.289 124.094 122.820 -0.025 0.000 1.908 493 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 493 A C 2.421 179.967 177.584 -0.063 0.000 1.181 493 A CA 1.168 53.179 52.037 -0.043 0.000 0.627 493 A CB -0.756 18.218 19.000 -0.043 0.000 0.818 493 A HN 0.183 nan 8.150 nan 0.000 0.445 494 L N -0.657 120.521 121.223 -0.074 0.000 2.017 494 L HA -0.237 4.103 4.340 -0.001 0.000 0.208 494 L C 2.649 179.437 176.870 -0.137 0.000 1.073 494 L CA 1.879 56.641 54.840 -0.131 0.000 0.745 494 L CB -0.451 41.534 42.059 -0.124 0.000 0.894 494 L HN 0.388 nan 8.230 nan 0.000 0.432 495 K N -0.083 120.266 120.400 -0.085 0.000 2.063 495 K HA -0.179 4.140 4.320 -0.001 0.000 0.208 495 K C 2.220 178.780 176.600 -0.066 0.000 1.048 495 K CA 1.413 57.657 56.287 -0.072 0.000 0.928 495 K CB -0.334 32.139 32.500 -0.046 0.000 0.713 495 K HN 0.297 nan 8.250 nan 0.000 0.442 496 A N 1.377 124.161 122.820 -0.059 0.000 1.883 496 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 496 A C 2.499 180.046 177.584 -0.063 0.000 1.186 496 A CA 1.743 53.745 52.037 -0.058 0.000 0.624 496 A CB -1.120 17.846 19.000 -0.057 0.000 0.822 496 A HN 0.436 nan 8.150 nan 0.000 0.444 497 C N -1.115 118.145 119.300 -0.066 0.000 2.432 497 C HA -0.132 4.327 4.460 -0.001 0.000 0.277 497 C C 2.878 177.852 174.990 -0.027 0.000 1.249 497 C CA 1.287 60.278 59.018 -0.046 0.000 1.725 497 C CB -1.317 26.407 27.740 -0.027 0.000 2.028 497 C HN 0.791 nan 8.230 nan 0.000 0.477 498 Q N 0.204 119.960 119.800 -0.073 0.000 2.061 498 Q HA -0.278 4.061 4.340 -0.001 0.000 0.204 498 Q C 2.185 178.213 176.000 0.047 0.000 0.984 498 Q CA 2.054 57.840 55.803 -0.029 0.000 0.846 498 Q CB -0.282 28.400 28.738 -0.093 0.000 0.902 498 Q HN 0.591 nan 8.270 nan 0.000 0.421 499 M N -0.027 119.576 119.600 0.004 0.000 2.073 499 M HA -0.165 4.315 4.480 -0.001 0.000 0.258 499 M C 1.890 178.200 176.300 0.017 0.000 1.070 499 M CA 1.676 56.987 55.300 0.017 0.000 1.103 499 M CB -0.592 31.999 32.600 -0.015 0.000 1.321 499 M HN 0.139 nan 8.290 nan 0.000 0.405 500 V N 0.240 120.128 119.914 -0.043 0.000 2.295 500 V HA -0.320 3.799 4.120 -0.001 0.000 0.246 500 V C 2.454 178.522 176.094 -0.044 0.000 1.049 500 V CA 2.309 64.536 62.300 -0.121 0.000 1.024 500 V CB -0.722 31.005 31.823 -0.160 0.000 0.648 500 V HN 0.577 nan 8.190 nan 0.000 0.447 501 M N 0.167 119.803 119.600 0.060 0.000 2.067 501 M HA -0.264 4.215 4.480 -0.001 0.000 0.260 501 M C 2.419 178.805 176.300 0.143 0.000 1.069 501 M CA 2.482 57.873 55.300 0.151 0.000 1.117 501 M CB -0.521 32.286 32.600 0.346 0.000 1.334 501 M HN 0.549 nan 8.290 nan 0.000 0.407 502 Q N -0.019 119.941 119.800 0.266 0.000 2.079 502 Q HA -0.160 4.179 4.340 -0.001 0.000 0.200 502 Q C 1.828 178.025 176.000 0.329 0.000 0.974 502 Q CA 1.293 57.273 55.803 0.294 0.000 0.840 502 Q CB -0.696 28.312 28.738 0.450 0.000 0.898 502 Q HN 0.421 nan 8.270 nan 0.000 0.430 503 Q N 0.598 120.586 119.800 0.313 0.000 2.096 503 Q HA -0.097 4.242 4.340 -0.001 0.000 0.204 503 Q C 2.335 178.608 176.000 0.455 0.000 0.982 503 Q CA 1.783 57.846 55.803 0.434 0.000 0.850 503 Q CB -0.310 28.594 28.738 0.277 0.000 0.901 503 Q HN 0.517 nan 8.270 nan 0.000 0.422 504 S N 0.415 116.265 115.700 0.250 0.000 2.356 504 S HA -0.100 4.370 4.470 -0.001 0.000 0.223 504 S C 2.239 176.900 174.600 0.102 0.000 1.032 504 S CA 1.165 59.557 58.200 0.321 0.000 1.005 504 S CB -0.287 63.032 63.200 0.198 0.000 0.867 504 S HN 0.141 nan 8.310 nan 0.000 0.449 505 V N 0.960 120.803 119.914 -0.119 0.000 2.287 505 V HA -0.216 3.904 4.120 -0.001 0.000 0.248 505 V C 2.028 178.112 176.094 -0.017 0.000 1.053 505 V CA 2.024 64.125 62.300 -0.330 0.000 1.027 505 V CB -0.827 30.377 31.823 -1.032 0.000 0.646 505 V HN 0.555 nan 8.190 nan 0.000 0.447 506 Y N 1.309 121.671 120.300 0.103 0.000 2.128 506 Y HA -0.269 4.280 4.550 -0.001 0.000 0.284 506 Y C 2.749 178.731 175.900 0.137 0.000 1.154 506 Y CA 2.261 60.514 58.100 0.254 0.000 1.149 506 Y CB -0.425 38.112 38.460 0.129 0.000 0.976 506 Y HN 0.102 nan 8.280 nan 0.000 0.505 507 R N -0.095 120.302 120.500 -0.172 0.000 2.075 507 R HA -0.121 4.218 4.340 -0.001 0.000 0.232 507 R C 2.222 178.198 176.300 -0.540 0.000 1.126 507 R CA 1.737 57.348 56.100 -0.815 0.000 0.963 507 R CB -0.433 29.374 30.300 -0.821 0.000 0.858 507 R HN 0.464 nan 8.270 nan 0.000 0.435 508 L N 0.258 121.318 121.223 -0.272 0.000 2.275 508 L HA -0.081 4.258 4.340 -0.001 0.000 0.215 508 L C 1.433 178.184 176.870 -0.199 0.000 1.119 508 L CA 0.810 55.450 54.840 -0.334 0.000 0.790 508 L CB 0.095 41.790 42.059 -0.607 0.000 0.919 508 L HN 0.252 nan 8.230 nan 0.000 0.443 509 L N -1.366 119.844 121.223 -0.021 0.000 3.122 509 L HA 0.223 4.563 4.340 -0.001 0.000 0.274 509 L C -0.216 176.734 176.870 0.133 0.000 1.222 509 L CA -0.094 54.826 54.840 0.133 0.000 1.028 509 L CB 0.575 42.865 42.059 0.384 0.000 1.386 509 L HN -0.015 nan 8.230 nan 0.000 0.578 510 T N 0.231 114.788 114.554 0.006 0.000 2.807 510 T HA 0.180 4.530 4.350 -0.001 0.000 0.279 510 T C -0.156 174.477 174.700 -0.111 0.000 0.993 510 T CA -0.545 61.543 62.100 -0.021 0.000 0.970 510 T CB 2.350 71.185 68.868 -0.054 0.000 0.950 510 T HN 0.019 nan 8.240 nan 0.000 0.441 511 K N 4.134 124.481 120.400 -0.088 0.000 2.491 511 K HA -0.009 4.310 4.320 -0.001 0.000 0.279 511 K C -1.724 174.845 176.600 -0.053 0.000 1.026 511 K CA -1.027 55.215 56.287 -0.075 0.000 1.070 511 K CB 0.447 32.908 32.500 -0.064 0.000 0.887 511 K HN 0.167 nan 8.250 nan 0.000 0.481 512 P HA -0.213 nan 4.420 nan 0.000 0.216 512 P C 0.834 178.143 177.300 0.015 0.000 1.153 512 P CA 1.555 64.628 63.100 -0.046 0.000 0.858 512 P CB 0.131 31.796 31.700 -0.058 0.000 0.789 513 S N -2.015 113.685 115.700 0.001 0.000 2.555 513 S HA -0.004 4.465 4.470 -0.001 0.000 0.230 513 S C 1.740 176.349 174.600 0.015 0.000 0.978 513 S CA 0.702 58.906 58.200 0.007 0.000 0.934 513 S CB -1.188 62.009 63.200 -0.004 0.000 0.766 513 S HN 0.113 nan 8.310 nan 0.000 0.533 514 I N -0.778 119.808 120.570 0.026 0.000 3.339 514 I HA 0.186 4.355 4.170 -0.001 0.000 0.285 514 I C 0.634 176.794 176.117 0.071 0.000 1.201 514 I CA -0.331 60.993 61.300 0.041 0.000 1.434 514 I CB -0.089 37.932 38.000 0.037 0.000 1.152 514 I HN 0.239 nan 8.210 nan 0.000 0.443 515 Y N 2.776 123.019 120.300 -0.095 0.000 2.852 515 Y HA -0.072 4.478 4.550 -0.001 0.000 0.343 515 Y C 0.491 176.348 175.900 -0.072 0.000 1.280 515 Y CA 0.008 57.999 58.100 -0.181 0.000 1.604 515 Y CB 0.287 38.569 38.460 -0.297 0.000 1.216 515 Y HN -0.119 nan 8.280 nan 0.000 0.541 516 S N 8.912 124.413 115.700 -0.332 0.000 2.216 516 S HA 0.364 4.834 4.470 -0.001 0.000 0.156 516 S C -2.846 171.569 174.600 -0.308 0.000 1.665 516 S CA -1.277 56.735 58.200 -0.314 0.000 1.262 516 S CB -0.078 63.057 63.200 -0.108 0.000 1.207 516 S HN 0.625 nan 8.310 nan 0.000 0.427 517 P HA 0.297 nan 4.420 nan 0.000 0.280 517 P C -1.049 176.010 177.300 -0.401 0.000 1.244 517 P CA -0.190 62.697 63.100 -0.355 0.000 0.784 517 P CB 0.796 32.194 31.700 -0.503 0.000 0.913 518 D N 2.437 122.798 120.400 -0.066 0.000 2.373 518 D HA 0.141 4.781 4.640 -0.001 0.000 0.227 518 D C 0.285 176.621 176.300 0.061 0.000 1.091 518 D CA -0.648 53.288 54.000 -0.106 0.000 0.840 518 D CB 0.219 40.987 40.800 -0.054 0.000 1.060 518 D HN 0.065 nan 8.370 nan 0.000 0.502 519 F N 1.624 121.693 119.950 0.198 0.000 2.699 519 F HA -0.048 4.478 4.527 -0.001 0.000 0.298 519 F C 2.428 178.304 175.800 0.126 0.000 1.154 519 F CA 0.481 58.597 58.000 0.193 0.000 1.457 519 F CB -0.384 38.710 39.000 0.157 0.000 1.106 519 F HN 0.371 nan 8.300 nan 0.000 0.585 520 S N -1.714 114.125 115.700 0.231 0.000 2.511 520 S HA 0.100 4.569 4.470 -0.001 0.000 0.214 520 S C 0.418 175.049 174.600 0.052 0.000 0.997 520 S CA -0.400 57.874 58.200 0.124 0.000 0.908 520 S CB -0.654 62.600 63.200 0.090 0.000 0.803 520 S HN 0.088 nan 8.310 nan 0.000 0.504 521 F N 3.150 123.021 119.950 -0.133 0.000 2.389 521 F HA 0.546 5.072 4.527 -0.001 0.000 0.337 521 F C 0.054 175.603 175.800 -0.418 0.000 1.112 521 F CA -0.527 57.253 58.000 -0.367 0.000 1.192 521 F CB 1.311 39.919 39.000 -0.653 0.000 1.185 521 F HN -0.039 nan 8.300 nan 0.000 0.552 522 S N 6.244 121.192 115.700 -1.254 0.000 2.464 522 S HA 0.137 4.606 4.470 -0.001 0.000 0.313 522 S C 0.374 174.367 174.600 -1.012 0.000 1.078 522 S CA -0.366 57.337 58.200 -0.828 0.000 1.096 522 S CB -0.232 62.613 63.200 -0.592 0.000 1.032 522 S HN 0.645 nan 8.310 nan 0.000 0.498 523 Y N 1.567 121.668 120.300 -0.333 0.000 2.314 523 Y HA 0.140 4.689 4.550 -0.001 0.000 0.293 523 Y C 0.383 175.750 175.900 -0.887 0.000 1.129 523 Y CA 0.736 58.523 58.100 -0.521 0.000 1.201 523 Y CB 0.055 38.292 38.460 -0.371 0.000 0.999 523 Y HN 0.490 nan 8.280 nan 0.000 0.541 524 F N -1.431 118.485 119.950 -0.057 0.000 2.599 524 F HA 0.462 4.988 4.527 -0.001 0.000 0.311 524 F C -0.068 175.759 175.800 0.045 0.000 1.076 524 F CA -1.582 56.444 58.000 0.044 0.000 0.937 524 F CB 1.544 40.721 39.000 0.295 0.000 1.282 524 F HN -0.403 nan 8.300 nan 0.000 0.460 525 T N 0.089 114.791 114.554 0.247 0.000 2.855 525 T HA 0.711 5.060 4.350 -0.001 0.000 0.281 525 T C -0.588 174.207 174.700 0.159 0.000 1.007 525 T CA -0.822 61.361 62.100 0.137 0.000 1.009 525 T CB 1.212 70.103 68.868 0.038 0.000 0.983 525 T HN 0.502 nan 8.240 nan 0.000 0.455 526 L N 2.100 123.333 121.223 0.017 0.000 2.426 526 L HA 0.380 4.719 4.340 -0.001 0.000 0.271 526 L C 0.199 177.041 176.870 -0.046 0.000 1.169 526 L CA -0.289 54.471 54.840 -0.132 0.000 0.836 526 L CB 0.597 42.521 42.059 -0.224 0.000 1.112 526 L HN 0.803 nan 8.230 nan 0.000 0.465 527 D N 1.850 122.229 120.400 -0.035 0.000 2.344 527 D HA 0.197 4.837 4.640 -0.001 0.000 0.239 527 D C -1.168 175.072 176.300 -0.101 0.000 1.064 527 D CA -0.376 53.599 54.000 -0.042 0.000 0.829 527 D CB 1.067 41.879 40.800 0.020 0.000 1.129 527 D HN 0.287 nan 8.370 nan 0.000 0.506 528 D N 2.565 122.916 120.400 -0.081 0.000 2.505 528 D HA 0.175 4.815 4.640 -0.001 0.000 0.250 528 D C 0.167 176.415 176.300 -0.087 0.000 1.164 528 D CA -0.426 53.556 54.000 -0.030 0.000 0.870 528 D CB 1.819 42.691 40.800 0.119 0.000 1.160 528 D HN 0.259 nan 8.370 nan 0.000 0.549 529 S N 2.543 118.164 115.700 -0.131 0.000 2.453 529 S HA -0.008 4.461 4.470 -0.001 0.000 0.231 529 S C 1.468 176.028 174.600 -0.068 0.000 1.005 529 S CA 0.723 58.835 58.200 -0.146 0.000 0.949 529 S CB 0.370 63.473 63.200 -0.161 0.000 0.774 529 S HN 0.494 nan 8.310 nan 0.000 0.510 530 R N -1.066 119.429 120.500 -0.009 0.000 2.476 530 R HA 0.204 4.544 4.340 -0.001 0.000 0.276 530 R C -0.538 175.845 176.300 0.138 0.000 0.941 530 R CA -0.075 56.046 56.100 0.035 0.000 1.088 530 R CB 0.807 31.120 30.300 0.021 0.000 1.216 530 R HN 0.341 nan 8.270 nan 0.000 0.533 531 W N 1.363 122.628 121.300 -0.058 0.000 3.211 531 W HA 0.292 4.951 4.660 -0.001 0.000 0.335 531 W C -2.904 173.588 176.519 -0.045 0.000 1.113 531 W CA -2.008 55.303 57.345 -0.057 0.000 1.235 531 W CB 1.770 31.207 29.460 -0.039 0.000 1.365 531 W HN -0.191 nan 8.180 nan 0.000 0.476 532 P HA 0.103 nan 4.420 nan 0.000 0.226 532 P C 0.388 177.335 177.300 -0.588 0.000 1.153 532 P CA 1.647 63.898 63.100 -1.415 0.000 0.777 532 P CB 0.304 31.426 31.700 -0.963 0.000 0.794 533 G N -0.808 107.813 108.800 -0.299 0.000 2.617 533 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.686 533 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.686 533 G C -0.414 174.427 174.900 -0.097 0.000 1.214 533 G CA -0.437 44.579 45.100 -0.141 0.000 0.796 533 G HN 0.161 nan 8.290 nan 0.000 0.654 534 S N 0.230 115.911 115.700 -0.031 0.000 2.537 534 S HA 0.534 5.003 4.470 -0.001 0.000 0.286 534 S C 1.854 176.455 174.600 0.002 0.000 1.299 534 S CA 1.834 60.047 58.200 0.021 0.000 1.067 534 S CB 0.464 63.716 63.200 0.088 0.000 0.864 534 S HN 2.774 nan 8.310 nan 0.000 0.494 535 G N 2.692 111.494 108.800 0.004 0.000 2.176 535 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.253 535 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.253 535 G C 0.570 175.448 174.900 -0.036 0.000 0.979 535 G CA 0.334 45.429 45.100 -0.008 0.000 0.641 535 G HN 0.980 nan 8.290 nan 0.000 0.530 536 V N -0.428 119.446 119.914 -0.067 0.000 2.627 536 V HA 0.434 4.553 4.120 -0.001 0.000 0.239 536 V C 0.848 176.881 176.094 -0.100 0.000 1.077 536 V CA 1.758 64.001 62.300 -0.096 0.000 1.103 536 V CB 0.852 32.586 31.823 -0.148 0.000 0.802 536 V HN 0.473 nan 8.190 nan 0.000 0.482 537 E N 0.173 120.306 120.200 -0.111 0.000 2.304 537 E HA 0.187 4.536 4.350 -0.001 0.000 0.277 537 E C -1.699 174.867 176.600 -0.057 0.000 0.898 537 E CA -0.544 55.801 56.400 -0.093 0.000 0.764 537 E CB 1.813 31.430 29.700 -0.138 0.000 1.216 537 E HN 0.165 nan 8.360 nan 0.000 0.419 538 D N 2.681 123.068 120.400 -0.023 0.000 2.470 538 D HA 0.067 4.707 4.640 -0.001 0.000 0.226 538 D C 0.380 176.680 176.300 0.001 0.000 1.196 538 D CA 0.277 54.283 54.000 0.010 0.000 0.979 538 D CB 0.482 41.297 40.800 0.025 0.000 1.059 538 D HN 0.407 nan 8.370 nan 0.000 0.515 539 S N 2.663 118.355 115.700 -0.014 0.000 2.554 539 S HA 0.182 4.652 4.470 -0.001 0.000 0.227 539 S C 0.927 175.516 174.600 -0.018 0.000 1.050 539 S CA -0.433 57.751 58.200 -0.027 0.000 0.927 539 S CB 0.535 63.699 63.200 -0.060 0.000 0.859 539 S HN 0.222 nan 8.310 nan 0.000 0.494 540 R N 2.936 123.424 120.500 -0.020 0.000 2.491 540 R HA 0.343 4.683 4.340 -0.001 0.000 0.283 540 R C 0.114 176.440 176.300 0.044 0.000 1.072 540 R CA 0.451 56.520 56.100 -0.052 0.000 1.048 540 R CB 0.590 30.741 30.300 -0.248 0.000 0.983 540 R HN 0.529 nan 8.270 nan 0.000 0.450 541 T N -0.694 113.889 114.554 0.049 0.000 2.909 541 T HA 0.197 4.546 4.350 -0.001 0.000 0.289 541 T C 0.293 175.093 174.700 0.167 0.000 1.005 541 T CA -0.753 61.403 62.100 0.095 0.000 1.084 541 T CB 1.488 70.399 68.868 0.071 0.000 0.975 541 T HN 0.332 nan 8.240 nan 0.000 0.509 542 T N 3.282 117.945 114.554 0.182 0.000 2.856 542 T HA 0.379 4.728 4.350 -0.001 0.000 0.292 542 T C 0.511 175.317 174.700 0.178 0.000 0.980 542 T CA -0.523 61.709 62.100 0.221 0.000 1.091 542 T CB 0.188 69.149 68.868 0.154 0.000 0.936 542 T HN 0.564 nan 8.240 nan 0.000 0.503 543 I N 4.086 124.781 120.570 0.208 0.000 2.421 543 I HA 0.171 4.340 4.170 -0.001 0.000 0.291 543 I C 0.197 176.402 176.117 0.146 0.000 1.089 543 I CA 0.035 61.435 61.300 0.167 0.000 1.354 543 I CB 0.066 38.168 38.000 0.169 0.000 1.413 543 I HN 0.448 nan 8.210 nan 0.000 0.513 544 I N 8.039 128.679 120.570 0.118 0.000 2.301 544 I HA 0.294 4.463 4.170 -0.001 0.000 0.292 544 I C -0.088 176.091 176.117 0.102 0.000 1.046 544 I CA -0.134 61.227 61.300 0.103 0.000 1.282 544 I CB 0.424 38.472 38.000 0.080 0.000 1.409 544 I HN 0.400 nan 8.210 nan 0.000 0.484 545 L N 5.763 127.051 121.223 0.108 0.000 2.319 545 L HA 0.950 5.290 4.340 -0.001 0.000 0.267 545 L C 0.146 177.074 176.870 0.097 0.000 1.011 545 L CA -0.725 54.178 54.840 0.105 0.000 0.818 545 L CB 2.166 44.294 42.059 0.114 0.000 1.316 545 L HN 0.686 nan 8.230 nan 0.000 0.432 546 G N -0.066 108.787 108.800 0.088 0.000 2.498 546 G HA2 0.110 4.070 3.960 -0.001 0.000 0.301 546 G HA3 0.110 4.070 3.960 -0.001 0.000 0.301 546 G C -0.185 174.757 174.900 0.070 0.000 1.577 546 G CA -0.466 44.682 45.100 0.080 0.000 0.868 546 G HN 0.703 nan 8.290 nan 0.000 0.599 547 E N 0.271 120.510 120.200 0.065 0.000 2.130 547 E HA -0.171 4.178 4.350 -0.001 0.000 0.196 547 E C 0.775 177.404 176.600 0.047 0.000 0.998 547 E CA 1.540 57.972 56.400 0.053 0.000 0.806 547 E CB 0.163 29.890 29.700 0.045 0.000 0.738 547 E HN 0.474 nan 8.360 nan 0.000 0.459 548 D N -0.370 120.057 120.400 0.046 0.000 2.358 548 D HA 0.099 4.739 4.640 -0.001 0.000 0.224 548 D C 1.157 177.483 176.300 0.043 0.000 1.123 548 D CA 0.165 54.189 54.000 0.040 0.000 0.833 548 D CB 0.813 41.634 40.800 0.036 0.000 0.946 548 D HN 0.329 nan 8.370 nan 0.000 0.505 549 I N -0.790 119.810 120.570 0.050 0.000 4.420 549 I HA 0.100 4.269 4.170 -0.001 0.000 0.292 549 I C -1.392 174.762 176.117 0.061 0.000 1.153 549 I CA 0.110 61.441 61.300 0.052 0.000 1.315 549 I CB 1.260 39.291 38.000 0.052 0.000 1.616 549 I HN -0.168 nan 8.210 nan 0.000 0.450 550 L N 2.090 123.356 121.223 0.070 0.000 2.830 550 L HA 0.444 4.784 4.340 -0.001 0.000 0.259 550 L C -2.544 174.378 176.870 0.087 0.000 0.943 550 L CA -0.799 54.091 54.840 0.083 0.000 0.997 550 L CB 1.462 43.578 42.059 0.094 0.000 1.427 550 L HN -0.185 nan 8.230 nan 0.000 0.456 551 P HA 0.073 nan 4.420 nan 0.000 0.222 551 P C -0.207 177.146 177.300 0.088 0.000 1.153 551 P CA 0.944 64.092 63.100 0.080 0.000 0.798 551 P CB 0.295 32.036 31.700 0.067 0.000 0.796 552 S N -2.392 113.372 115.700 0.105 0.000 2.596 552 S HA 0.725 5.194 4.470 -0.001 0.000 0.270 552 S C -1.360 173.337 174.600 0.162 0.000 1.155 552 S CA -0.740 57.526 58.200 0.110 0.000 0.827 552 S CB 2.430 65.683 63.200 0.088 0.000 1.130 552 S HN -0.124 nan 8.310 nan 0.000 0.467 553 K N 0.718 121.214 120.400 0.160 0.000 2.535 553 K HA 0.556 4.875 4.320 -0.001 0.000 0.251 553 K C -2.048 174.695 176.600 0.239 0.000 0.942 553 K CA -0.235 56.193 56.287 0.236 0.000 0.798 553 K CB 0.992 33.595 32.500 0.173 0.000 1.267 553 K HN 0.847 nan 8.250 nan 0.000 0.434 554 H N 1.076 120.296 119.070 0.250 0.000 2.580 554 H HA 0.429 4.985 4.556 -0.001 0.000 0.322 554 H C -0.246 175.314 175.328 0.386 0.000 1.082 554 H CA -0.053 56.190 56.048 0.324 0.000 1.383 554 H CB 0.998 31.033 29.762 0.456 0.000 1.450 554 H HN 0.401 nan 8.280 nan 0.000 0.505 555 V N 1.350 121.511 119.914 0.411 0.000 2.864 555 V HA 0.761 4.880 4.120 -0.001 0.000 0.314 555 V C -0.612 175.830 176.094 0.580 0.000 1.073 555 V CA -0.882 61.670 62.300 0.420 0.000 0.956 555 V CB 2.048 33.857 31.823 -0.023 0.000 1.023 555 V HN 0.452 nan 8.190 nan 0.000 0.435 556 V N 4.111 124.396 119.914 0.619 0.000 2.638 556 V HA 0.605 4.724 4.120 -0.001 0.000 0.306 556 V C -0.373 176.093 176.094 0.620 0.000 1.052 556 V CA -0.389 62.238 62.300 0.544 0.000 0.885 556 V CB 1.790 33.785 31.823 0.286 0.000 0.999 556 V HN 0.938 nan 8.190 nan 0.000 0.424 557 M N 4.184 124.120 119.600 0.560 0.000 2.363 557 M HA 0.479 4.958 4.480 -0.001 0.000 0.343 557 M C -0.437 176.147 176.300 0.473 0.000 1.165 557 M CA -0.206 55.395 55.300 0.502 0.000 1.046 557 M CB 1.045 33.880 32.600 0.393 0.000 1.648 557 M HN 0.749 nan 8.290 nan 0.000 0.452 558 H N 2.009 121.315 119.070 0.394 0.000 2.469 558 H HA 0.468 5.023 4.556 -0.001 0.000 0.342 558 H C -1.348 174.117 175.328 0.228 0.000 1.115 558 H CA -0.598 55.642 56.048 0.319 0.000 1.204 558 H CB 1.188 31.206 29.762 0.428 0.000 1.492 558 H HN 0.648 nan 8.280 nan 0.000 0.499 559 N N 3.172 121.641 118.700 -0.386 0.000 2.564 559 N HA 0.037 4.776 4.740 -0.001 0.000 0.248 559 N C 0.362 175.550 175.510 -0.536 0.000 0.986 559 N CA -0.290 52.543 53.050 -0.361 0.000 0.921 559 N CB 1.512 39.899 38.487 -0.167 0.000 1.136 559 N HN 0.642 nan 8.380 nan 0.000 0.509 560 T N 2.908 117.182 114.554 -0.467 0.000 3.035 560 T HA 0.144 4.493 4.350 -0.001 0.000 0.268 560 T C 0.710 175.377 174.700 -0.054 0.000 1.109 560 T CA 0.473 62.477 62.100 -0.161 0.000 1.119 560 T CB -0.239 68.664 68.868 0.058 0.000 0.900 560 T HN 0.421 nan 8.240 nan 0.000 0.503 561 L N 2.910 124.048 121.223 -0.142 0.000 2.426 561 L HA 0.277 4.616 4.340 -0.001 0.000 0.271 561 L C -1.606 175.133 176.870 -0.218 0.000 1.169 561 L CA -1.715 53.002 54.840 -0.205 0.000 0.836 561 L CB 0.562 42.356 42.059 -0.441 0.000 1.112 561 L HN -0.009 nan 8.230 nan 0.000 0.465 562 P HA 0.057 nan 4.420 nan 0.000 0.243 562 P C -0.907 176.426 177.300 0.054 0.000 1.668 562 P CA 0.295 63.394 63.100 -0.003 0.000 0.898 562 P CB -0.322 31.425 31.700 0.079 0.000 1.637 563 H N -3.165 115.917 119.070 0.021 0.000 2.961 563 H HA 0.240 4.796 4.556 -0.001 0.000 0.371 563 H C -0.969 174.380 175.328 0.036 0.000 1.190 563 H CA -1.101 54.977 56.048 0.051 0.000 1.138 563 H CB 0.031 29.851 29.762 0.096 0.000 1.816 563 H HN -0.131 nan 8.280 nan 0.000 0.551 564 W N 1.725 123.132 121.300 0.179 0.000 2.314 564 W HA 0.167 4.826 4.660 -0.001 0.000 0.339 564 W C 0.852 177.470 176.519 0.164 0.000 1.293 564 W CA 0.438 57.857 57.345 0.124 0.000 1.288 564 W CB 0.374 29.896 29.460 0.103 0.000 1.186 564 W HN 0.468 nan 8.180 nan 0.000 0.566 565 R N 2.373 123.073 120.500 0.334 0.000 2.575 565 R HA 0.287 4.626 4.340 -0.001 0.000 0.293 565 R C -0.881 175.558 176.300 0.232 0.000 0.983 565 R CA -0.651 55.595 56.100 0.243 0.000 0.887 565 R CB 1.307 31.670 30.300 0.104 0.000 1.184 565 R HN 0.467 nan 8.270 nan 0.000 0.445 566 E N 2.461 122.774 120.200 0.187 0.000 2.191 566 E HA 0.258 4.607 4.350 -0.001 0.000 0.274 566 E C -1.166 175.484 176.600 0.083 0.000 0.948 566 E CA -0.753 55.733 56.400 0.144 0.000 0.802 566 E CB 2.340 32.117 29.700 0.129 0.000 1.137 566 E HN 0.389 nan 8.360 nan 0.000 0.397 567 Q N 2.908 122.734 119.800 0.043 0.000 2.438 567 Q HA 0.231 4.570 4.340 -0.001 0.000 0.272 567 Q C -1.562 174.398 176.000 -0.066 0.000 0.994 567 Q CA -0.576 55.222 55.803 -0.008 0.000 0.887 567 Q CB 1.407 30.131 28.738 -0.024 0.000 1.432 567 Q HN 0.554 nan 8.270 nan 0.000 0.392 568 L N 3.198 124.375 121.223 -0.077 0.000 2.453 568 L HA 0.341 4.680 4.340 -0.001 0.000 0.272 568 L C 0.234 176.966 176.870 -0.229 0.000 1.182 568 L CA -0.294 54.462 54.840 -0.141 0.000 0.858 568 L CB 0.620 42.633 42.059 -0.078 0.000 1.120 568 L HN 0.486 nan 8.230 nan 0.000 0.474 569 V N -0.482 119.186 119.914 -0.410 0.000 2.914 569 V HA 0.691 4.811 4.120 -0.001 0.000 0.314 569 V C -0.878 174.932 176.094 -0.473 0.000 1.084 569 V CA -0.869 61.151 62.300 -0.467 0.000 0.963 569 V CB 2.134 33.637 31.823 -0.534 0.000 1.025 569 V HN 0.792 nan 8.190 nan 0.000 0.432 570 D N 1.570 121.698 120.400 -0.453 0.000 2.527 570 D HA 0.632 5.272 4.640 -0.001 0.000 0.233 570 D C -1.392 174.591 176.300 -0.528 0.000 1.063 570 D CA -0.444 53.393 54.000 -0.273 0.000 0.880 570 D CB 2.441 43.183 40.800 -0.096 0.000 1.457 570 D HN 0.453 nan 8.370 nan 0.000 0.475 571 F N -0.126 119.875 119.950 0.085 0.000 2.599 571 F HA 0.316 4.842 4.527 -0.001 0.000 0.311 571 F C -0.543 175.404 175.800 0.245 0.000 1.076 571 F CA -1.069 56.995 58.000 0.106 0.000 0.937 571 F CB 1.554 40.665 39.000 0.184 0.000 1.282 571 F HN 0.150 nan 8.300 nan 0.000 0.460 572 Y N 2.309 122.762 120.300 0.256 0.000 2.335 572 Y HA 0.523 5.072 4.550 -0.001 0.000 0.331 572 Y C 0.259 176.282 175.900 0.205 0.000 1.094 572 Y CA -1.359 56.846 58.100 0.174 0.000 1.253 572 Y CB 0.672 39.187 38.460 0.092 0.000 1.203 572 Y HN 0.340 nan 8.280 nan 0.000 0.508 573 V N -0.367 119.753 119.914 0.343 0.000 3.040 573 V HA 0.575 4.694 4.120 -0.001 0.000 0.312 573 V C 0.359 176.597 176.094 0.239 0.000 1.115 573 V CA -0.705 61.756 62.300 0.269 0.000 0.998 573 V CB 1.737 33.716 31.823 0.260 0.000 1.042 573 V HN 0.654 nan 8.190 nan 0.000 0.433 574 S N 0.182 116.002 115.700 0.200 0.000 2.593 574 S HA 0.265 4.734 4.470 -0.001 0.000 0.217 574 S C 0.682 175.435 174.600 0.254 0.000 0.966 574 S CA 0.477 58.784 58.200 0.178 0.000 0.914 574 S CB -0.253 63.020 63.200 0.122 0.000 0.776 574 S HN 1.571 nan 8.310 nan 0.000 0.523 575 S N 1.172 117.022 115.700 0.251 0.000 2.541 575 S HA 0.556 5.026 4.470 -0.001 0.000 0.271 575 S C -2.666 171.841 174.600 -0.155 0.000 1.133 575 S CA -1.290 56.939 58.200 0.048 0.000 0.876 575 S CB 1.937 65.171 63.200 0.056 0.000 1.105 575 S HN -0.003 nan 8.310 nan 0.000 0.470 576 P HA 0.170 nan 4.420 nan 0.000 0.236 576 P C -0.131 177.020 177.300 -0.249 0.000 1.177 576 P CA 0.382 63.118 63.100 -0.607 0.000 0.773 576 P CB -0.211 30.848 31.700 -1.070 0.000 0.878 577 F N 0.857 120.822 119.950 0.025 0.000 2.509 577 F HA 0.251 4.777 4.527 -0.001 0.000 0.344 577 F C 0.505 176.352 175.800 0.079 0.000 1.197 577 F CA -0.992 57.055 58.000 0.078 0.000 1.294 577 F CB -0.195 38.816 39.000 0.018 0.000 1.643 577 F HN -0.328 nan 8.300 nan 0.000 0.596 578 V N 0.872 120.921 119.914 0.225 0.000 2.656 578 V HA 0.678 4.797 4.120 -0.001 0.000 0.307 578 V C -0.280 175.882 176.094 0.113 0.000 1.051 578 V CA -0.852 61.538 62.300 0.150 0.000 0.893 578 V CB 2.220 34.125 31.823 0.136 0.000 0.999 578 V HN 0.493 nan 8.190 nan 0.000 0.426 579 S N 2.824 118.571 115.700 0.078 0.000 2.634 579 S HA 0.908 5.378 4.470 -0.001 0.000 0.296 579 S C -0.957 173.627 174.600 -0.027 0.000 1.104 579 S CA -0.854 57.372 58.200 0.043 0.000 0.920 579 S CB 2.137 65.382 63.200 0.074 0.000 1.111 579 S HN 0.458 nan 8.310 nan 0.000 0.493 580 V N 1.624 121.483 119.914 -0.090 0.000 2.680 580 V HA 0.817 4.937 4.120 -0.001 0.000 0.309 580 V C 0.032 176.033 176.094 -0.155 0.000 1.052 580 V CA -0.489 61.678 62.300 -0.223 0.000 0.908 580 V CB 1.613 33.103 31.823 -0.554 0.000 1.001 580 V HN 1.211 nan 8.190 nan 0.000 0.431 581 T N -0.620 113.861 114.554 -0.122 0.000 2.906 581 T HA 0.663 5.013 4.350 -0.001 0.000 0.295 581 T C -0.780 173.895 174.700 -0.041 0.000 1.075 581 T CA -0.891 61.160 62.100 -0.082 0.000 1.005 581 T CB 2.044 70.858 68.868 -0.091 0.000 1.136 581 T HN 0.726 nan 8.240 nan 0.000 0.498 582 D N 0.623 120.974 120.400 -0.083 0.000 2.447 582 D HA 0.209 4.849 4.640 -0.001 0.000 0.265 582 D C 0.890 177.054 176.300 -0.227 0.000 1.250 582 D CA -1.103 52.728 54.000 -0.282 0.000 1.046 582 D CB 0.256 40.874 40.800 -0.304 0.000 1.095 582 D HN 0.316 nan 8.370 nan 0.000 0.555 583 L N -0.686 120.389 121.223 -0.248 0.000 2.610 583 L HA 0.258 4.598 4.340 -0.001 0.000 0.232 583 L C 1.731 178.530 176.870 -0.119 0.000 1.149 583 L CA 0.652 55.395 54.840 -0.163 0.000 0.872 583 L CB -0.866 41.109 42.059 -0.140 0.000 0.992 583 L HN 0.636 nan 8.230 nan 0.000 0.447 584 A N -1.190 121.562 122.820 -0.113 0.000 2.379 584 A HA 0.137 4.457 4.320 -0.001 0.000 0.236 584 A C 1.205 178.744 177.584 -0.075 0.000 1.272 584 A CA 0.366 52.353 52.037 -0.083 0.000 0.886 584 A CB -0.521 18.437 19.000 -0.071 0.000 0.962 584 A HN 0.477 nan 8.150 nan 0.000 0.504 585 N N -0.092 118.557 118.700 -0.086 0.000 2.800 585 N HA -0.144 4.595 4.740 -0.001 0.000 0.250 585 N C -0.933 174.532 175.510 -0.075 0.000 1.078 585 N CA 0.894 53.899 53.050 -0.075 0.000 0.804 585 N CB -1.809 36.645 38.487 -0.055 0.000 1.135 585 N HN 0.575 nan 8.380 nan 0.000 0.565 586 N N 1.091 119.744 118.700 -0.080 0.000 2.497 586 N HA 0.199 4.938 4.740 -0.001 0.000 0.268 586 N C -2.490 172.950 175.510 -0.117 0.000 1.171 586 N CA -0.623 52.375 53.050 -0.086 0.000 0.948 586 N CB 0.468 38.916 38.487 -0.065 0.000 1.069 586 N HN 0.248 nan 8.380 nan 0.000 0.460 587 P HA 0.088 nan 4.420 nan 0.000 0.268 587 P C -0.487 176.668 177.300 -0.242 0.000 1.205 587 P CA -0.108 62.796 63.100 -0.327 0.000 0.771 587 P CB 0.718 31.914 31.700 -0.839 0.000 0.858 588 V N 2.713 122.536 119.914 -0.152 0.000 2.487 588 V HA 0.208 4.327 4.120 -0.001 0.000 0.298 588 V C 0.396 176.489 176.094 -0.001 0.000 1.028 588 V CA -0.821 61.455 62.300 -0.040 0.000 0.860 588 V CB 1.398 33.220 31.823 -0.002 0.000 0.991 588 V HN 0.548 nan 8.190 nan 0.000 0.427 589 E N 3.146 123.387 120.200 0.067 0.000 2.465 589 E HA 0.422 4.771 4.350 -0.001 0.000 0.260 589 E C -0.212 176.465 176.600 0.129 0.000 0.980 589 E CA 0.096 56.567 56.400 0.119 0.000 0.927 589 E CB 0.820 30.593 29.700 0.122 0.000 0.934 589 E HN 0.869 nan 8.360 nan 0.000 0.459 590 A N 4.425 127.309 122.820 0.107 0.000 2.469 590 A HA 0.427 4.746 4.320 -0.001 0.000 0.299 590 A C -1.228 176.379 177.584 0.038 0.000 1.098 590 A CA -0.710 51.401 52.037 0.124 0.000 0.737 590 A CB 1.944 21.012 19.000 0.113 0.000 1.312 590 A HN 0.675 nan 8.150 nan 0.000 0.414 591 Q N 0.908 120.737 119.800 0.048 0.000 2.347 591 Q HA 0.638 4.978 4.340 -0.001 0.000 0.271 591 Q C -1.998 173.997 176.000 -0.008 0.000 1.064 591 Q CA -0.547 55.240 55.803 -0.026 0.000 0.800 591 Q CB 2.151 30.913 28.738 0.038 0.000 1.304 591 Q HN 0.566 nan 8.270 nan 0.000 0.438 592 V N 2.673 122.509 119.914 -0.130 0.000 2.483 592 V HA 0.559 4.678 4.120 -0.001 0.000 0.295 592 V C -0.472 175.805 176.094 0.305 0.000 1.035 592 V CA -0.304 62.037 62.300 0.068 0.000 0.896 592 V CB 1.760 33.593 31.823 0.016 0.000 0.986 592 V HN 0.850 nan 8.190 nan 0.000 0.447 593 S N 5.136 121.050 115.700 0.356 0.000 2.634 593 S HA 0.689 5.158 4.470 -0.001 0.000 0.296 593 S C -2.762 171.931 174.600 0.155 0.000 1.104 593 S CA -1.219 57.182 58.200 0.334 0.000 0.920 593 S CB 2.330 65.666 63.200 0.227 0.000 1.111 593 S HN 0.538 nan 8.310 nan 0.000 0.493 594 P HA 0.251 nan 4.420 nan 0.000 0.274 594 P C -1.148 175.832 177.300 -0.533 0.000 1.256 594 P CA -0.511 62.219 63.100 -0.616 0.000 0.795 594 P CB 0.361 31.304 31.700 -1.262 0.000 1.038 595 V N 1.644 121.164 119.914 -0.658 0.000 2.348 595 V HA 0.188 4.307 4.120 -0.001 0.000 0.270 595 V C -0.529 175.241 176.094 -0.540 0.000 1.037 595 V CA -0.196 61.796 62.300 -0.513 0.000 0.872 595 V CB -0.474 30.956 31.823 -0.655 0.000 1.002 595 V HN 0.514 nan 8.190 nan 0.000 0.464 596 W N 2.997 124.208 121.300 -0.148 0.000 2.433 596 W HA 0.636 5.296 4.660 -0.001 0.000 0.315 596 W C 0.339 176.775 176.519 -0.139 0.000 1.087 596 W CA -0.299 56.940 57.345 -0.177 0.000 1.205 596 W CB 1.678 31.041 29.460 -0.161 0.000 1.288 596 W HN 0.417 nan 8.180 nan 0.000 0.504 597 S N 1.726 117.436 115.700 0.017 0.000 2.526 597 S HA 0.445 4.914 4.470 -0.001 0.000 0.293 597 S C -1.504 172.851 174.600 -0.407 0.000 1.092 597 S CA -0.807 57.326 58.200 -0.112 0.000 0.980 597 S CB 1.067 64.180 63.200 -0.146 0.000 1.048 597 S HN 0.344 nan 8.310 nan 0.000 0.483 598 W N 2.491 123.540 121.300 -0.417 0.000 2.417 598 W HA 0.489 5.149 4.660 -0.001 0.000 0.317 598 W C 0.252 176.402 176.519 -0.617 0.000 1.121 598 W CA -0.246 56.856 57.345 -0.404 0.000 1.208 598 W CB 0.690 30.035 29.460 -0.191 0.000 1.253 598 W HN 0.551 nan 8.180 nan 0.000 0.533 599 H N 1.814 120.909 119.070 0.043 0.000 2.609 599 H HA 0.088 4.644 4.556 -0.001 0.000 0.344 599 H C -0.818 174.575 175.328 0.109 0.000 1.040 599 H CA -0.994 55.056 56.048 0.003 0.000 1.216 599 H CB 1.460 31.132 29.762 -0.149 0.000 1.529 599 H HN 0.371 nan 8.280 nan 0.000 0.519 600 H N 2.794 121.964 119.070 0.166 0.000 3.205 600 H HA 0.011 4.567 4.556 -0.001 0.000 0.262 600 H C -0.403 175.013 175.328 0.147 0.000 1.333 600 H CA -0.315 55.821 56.048 0.146 0.000 1.499 600 H CB -0.197 29.623 29.762 0.096 0.000 1.609 600 H HN 0.426 nan 8.280 nan 0.000 0.498 601 D N 3.688 124.175 120.400 0.145 0.000 2.348 601 D HA -0.058 4.582 4.640 -0.001 0.000 0.259 601 D C 0.947 177.153 176.300 -0.155 0.000 1.296 601 D CA 0.250 54.289 54.000 0.065 0.000 0.931 601 D CB 0.482 41.477 40.800 0.326 0.000 1.067 601 D HN 0.739 nan 8.370 nan 0.000 0.503 602 T N 1.283 115.675 114.554 -0.270 0.000 3.163 602 T HA -0.063 4.287 4.350 -0.001 0.000 0.260 602 T C 1.721 176.365 174.700 -0.094 0.000 1.156 602 T CA 0.047 61.995 62.100 -0.253 0.000 1.072 602 T CB 0.196 68.937 68.868 -0.212 0.000 0.937 602 T HN 0.240 nan 8.240 nan 0.000 0.528 603 L N 2.190 123.382 121.223 -0.053 0.000 2.121 603 L HA 0.113 4.452 4.340 -0.001 0.000 0.200 603 L C 2.971 179.835 176.870 -0.010 0.000 1.077 603 L CA 2.099 56.925 54.840 -0.024 0.000 0.766 603 L CB -1.714 40.334 42.059 -0.018 0.000 0.931 603 L HN 0.510 nan 8.230 nan 0.000 0.452 604 T N -3.364 111.189 114.554 -0.002 0.000 3.085 604 T HA -0.047 4.303 4.350 -0.001 0.000 0.263 604 T C 0.823 175.542 174.700 0.032 0.000 1.127 604 T CA -0.067 62.031 62.100 -0.003 0.000 1.103 604 T CB -0.034 68.807 68.868 -0.046 0.000 0.921 604 T HN 0.118 nan 8.240 nan 0.000 0.510 605 K N 2.127 122.562 120.400 0.058 0.000 3.077 605 K HA -0.132 4.187 4.320 -0.001 0.000 0.264 605 K C 0.124 176.831 176.600 0.178 0.000 1.008 605 K CA 1.270 57.637 56.287 0.134 0.000 0.740 605 K CB -2.793 29.768 32.500 0.102 0.000 1.273 605 K HN 0.870 nan 8.250 nan 0.000 0.477 606 T N -2.646 112.031 114.554 0.205 0.000 2.916 606 T HA 0.803 5.152 4.350 -0.001 0.000 0.292 606 T C 0.375 175.307 174.700 0.387 0.000 1.064 606 T CA -1.061 61.175 62.100 0.225 0.000 1.011 606 T CB 2.187 71.128 68.868 0.122 0.000 1.152 606 T HN 0.142 nan 8.240 nan 0.000 0.510 607 I N 2.841 123.622 120.570 0.352 0.000 2.330 607 I HA 0.510 4.680 4.170 -0.001 0.000 0.289 607 I C -0.211 176.229 176.117 0.537 0.000 1.001 607 I CA -0.651 60.896 61.300 0.412 0.000 1.193 607 I CB 0.639 38.791 38.000 0.254 0.000 1.345 607 I HN 0.938 nan 8.210 nan 0.000 0.461 608 H N 5.856 125.100 119.070 0.289 0.000 3.016 608 H HA 0.651 5.207 4.556 -0.001 0.000 0.362 608 H C -3.165 171.944 175.328 -0.366 0.000 1.233 608 H CA -2.317 53.727 56.048 -0.007 0.000 1.124 608 H CB 2.035 31.800 29.762 0.006 0.000 1.850 608 H HN 0.157 nan 8.280 nan 0.000 0.549 609 P HA 0.198 nan 4.420 nan 0.000 0.288 609 P C -1.011 176.144 177.300 -0.242 0.000 1.267 609 P CA -0.632 61.877 63.100 -0.985 0.000 0.815 609 P CB 1.785 32.592 31.700 -1.488 0.000 0.989 610 Q N 0.929 120.704 119.800 -0.041 0.000 2.337 610 Q HA 0.564 4.903 4.340 -0.001 0.000 0.266 610 Q C 0.225 176.277 176.000 0.087 0.000 1.023 610 Q CA -0.504 55.380 55.803 0.134 0.000 0.829 610 Q CB 2.562 31.381 28.738 0.134 0.000 1.306 610 Q HN 0.594 nan 8.270 nan 0.000 0.449 611 G N 0.698 109.419 108.800 -0.131 0.000 2.377 611 G HA2 0.310 4.270 3.960 -0.001 0.000 0.299 611 G HA3 0.310 4.270 3.960 -0.001 0.000 0.299 611 G C -0.180 174.449 174.900 -0.451 0.000 1.150 611 G CA -0.308 44.366 45.100 -0.710 0.000 0.847 611 G HN 0.447 nan 8.290 nan 0.000 0.501 612 S N -0.229 115.157 115.700 -0.524 0.000 2.562 612 S HA 0.227 4.697 4.470 -0.001 0.000 0.281 612 S C 1.625 175.963 174.600 -0.437 0.000 1.333 612 S CA 0.338 58.273 58.200 -0.442 0.000 1.052 612 S CB 0.607 63.483 63.200 -0.540 0.000 0.884 612 S HN 0.885 nan 8.310 nan 0.000 0.506 613 T N 0.154 114.535 114.554 -0.289 0.000 3.069 613 T HA 0.166 4.515 4.350 -0.001 0.000 0.252 613 T C 1.061 175.670 174.700 -0.151 0.000 1.053 613 T CA 0.448 62.445 62.100 -0.171 0.000 0.964 613 T CB -0.214 68.608 68.868 -0.075 0.000 1.005 613 T HN 0.714 nan 8.240 nan 0.000 0.532 614 T N -1.434 112.928 114.554 -0.320 0.000 3.009 614 T HA 0.305 4.654 4.350 -0.001 0.000 0.267 614 T C 0.167 174.663 174.700 -0.341 0.000 0.942 614 T CA -0.583 61.392 62.100 -0.208 0.000 0.883 614 T CB 0.175 68.972 68.868 -0.118 0.000 1.192 614 T HN 0.625 nan 8.240 nan 0.000 0.524 615 K N 0.080 120.050 120.400 -0.718 0.000 2.477 615 K HA 0.692 5.012 4.320 -0.001 0.000 0.255 615 K C -2.029 173.883 176.600 -1.148 0.000 0.952 615 K CA -0.965 54.925 56.287 -0.663 0.000 0.826 615 K CB 1.944 34.207 32.500 -0.395 0.000 1.331 615 K HN 0.114 nan 8.250 nan 0.000 0.437 616 Y N -0.187 120.030 120.300 -0.138 0.000 2.609 616 Y HA 0.461 5.010 4.550 -0.001 0.000 0.342 616 Y C -0.429 175.488 175.900 0.028 0.000 1.058 616 Y CA -1.159 56.895 58.100 -0.076 0.000 1.055 616 Y CB 2.268 40.755 38.460 0.044 0.000 1.292 616 Y HN 0.377 nan 8.280 nan 0.000 0.476 617 R N 1.709 122.351 120.500 0.237 0.000 2.294 617 R HA 0.558 4.897 4.340 -0.001 0.000 0.319 617 R C -1.221 175.253 176.300 0.291 0.000 0.984 617 R CA -0.614 55.667 56.100 0.302 0.000 0.861 617 R CB 1.581 32.032 30.300 0.252 0.000 1.104 617 R HN 0.645 nan 8.270 nan 0.000 0.451 618 I N 4.511 125.273 120.570 0.320 0.000 2.412 618 I HA 0.414 4.583 4.170 -0.001 0.000 0.296 618 I C -0.999 175.299 176.117 0.301 0.000 0.987 618 I CA -0.805 60.674 61.300 0.298 0.000 1.180 618 I CB 1.014 39.204 38.000 0.318 0.000 1.340 618 I HN 0.538 nan 8.210 nan 0.000 0.455 619 I N 8.080 128.795 120.570 0.240 0.000 2.545 619 I HA 0.520 4.689 4.170 -0.001 0.000 0.292 619 I C -0.973 175.282 176.117 0.230 0.000 1.040 619 I CA -0.504 60.880 61.300 0.140 0.000 1.068 619 I CB 1.721 39.769 38.000 0.080 0.000 1.251 619 I HN 0.500 nan 8.210 nan 0.000 0.424 620 F N 2.463 122.439 119.950 0.043 0.000 2.713 620 F HA 0.577 5.104 4.527 -0.001 0.000 0.311 620 F C -1.063 174.720 175.800 -0.028 0.000 1.141 620 F CA -1.327 56.677 58.000 0.007 0.000 0.939 620 F CB 1.274 40.268 39.000 -0.009 0.000 1.325 620 F HN 0.210 nan 8.300 nan 0.000 0.453 621 K N 1.986 122.484 120.400 0.162 0.000 2.316 621 K HA 0.712 5.032 4.320 -0.001 0.000 0.289 621 K C -0.628 176.034 176.600 0.104 0.000 1.070 621 K CA -0.238 56.088 56.287 0.065 0.000 0.928 621 K CB 0.779 33.345 32.500 0.110 0.000 1.039 621 K HN 0.911 nan 8.250 nan 0.000 0.480 622 A N 4.718 127.506 122.820 -0.053 0.000 2.301 622 A HA 0.416 4.735 4.320 -0.001 0.000 0.312 622 A C -0.683 177.040 177.584 0.231 0.000 1.182 622 A CA -0.685 51.373 52.037 0.036 0.000 0.826 622 A CB 0.681 19.655 19.000 -0.044 0.000 1.134 622 A HN 0.860 nan 8.150 nan 0.000 0.501 623 R N 2.327 123.083 120.500 0.426 0.000 2.360 623 R HA 0.598 4.937 4.340 -0.001 0.000 0.318 623 R C -1.884 174.702 176.300 0.475 0.000 0.950 623 R CA -0.220 56.123 56.100 0.406 0.000 0.837 623 R CB 1.221 31.731 30.300 0.350 0.000 1.165 623 R HN 0.492 nan 8.270 nan 0.000 0.458 624 V N 6.317 126.470 119.914 0.398 0.000 2.588 624 V HA 0.439 4.558 4.120 -0.001 0.000 0.304 624 V C -2.246 173.767 176.094 -0.135 0.000 1.042 624 V CA -2.347 60.074 62.300 0.203 0.000 0.877 624 V CB 1.880 33.791 31.823 0.145 0.000 0.996 624 V HN 0.784 nan 8.190 nan 0.000 0.425 625 P HA 0.188 nan 4.420 nan 0.000 0.270 625 P C -2.725 174.092 177.300 -0.805 0.000 1.227 625 P CA -1.207 61.014 63.100 -1.465 0.000 0.788 625 P CB -0.277 30.792 31.700 -1.051 0.000 0.926 626 P HA 0.076 nan 4.420 nan 0.000 0.264 626 P C 0.148 177.407 177.300 -0.069 0.000 1.193 626 P CA 0.575 63.485 63.100 -0.317 0.000 0.763 626 P CB -0.214 31.366 31.700 -0.200 0.000 0.810 627 M N 0.220 119.825 119.600 0.009 0.000 2.253 627 M HA -0.219 4.260 4.480 -0.001 0.000 0.199 627 M C 0.594 177.108 176.300 0.357 0.000 0.342 627 M CA 1.001 56.447 55.300 0.244 0.000 0.417 627 M CB -2.036 30.779 32.600 0.360 0.000 1.338 627 M HN 0.585 nan 8.290 nan 0.000 0.920 628 G N -0.213 108.655 108.800 0.114 0.000 3.176 628 G HA2 0.942 4.901 3.960 -0.001 0.000 0.272 628 G HA3 0.942 4.901 3.960 -0.001 0.000 0.272 628 G C -1.333 173.711 174.900 0.239 0.000 1.349 628 G CA -0.958 44.174 45.100 0.053 0.000 0.953 628 G HN 0.182 nan 8.290 nan 0.000 0.559 629 L N -0.504 120.838 121.223 0.198 0.000 2.409 629 L HA 0.784 5.124 4.340 -0.001 0.000 0.262 629 L C -0.326 176.654 176.870 0.184 0.000 0.992 629 L CA -1.007 53.984 54.840 0.252 0.000 0.817 629 L CB 2.471 44.688 42.059 0.264 0.000 1.350 629 L HN 0.775 nan 8.230 nan 0.000 0.411 630 A N 0.949 123.919 122.820 0.250 0.000 2.455 630 A HA 0.817 5.136 4.320 -0.001 0.000 0.300 630 A C -0.795 176.955 177.584 0.276 0.000 1.040 630 A CA -0.444 51.724 52.037 0.219 0.000 0.697 630 A CB 1.809 20.988 19.000 0.298 0.000 1.265 630 A HN 0.548 nan 8.150 nan 0.000 0.407 631 T N 1.916 116.523 114.554 0.088 0.000 2.867 631 T HA 0.665 5.014 4.350 -0.001 0.000 0.282 631 T C -1.117 173.503 174.700 -0.133 0.000 1.000 631 T CA 0.220 62.419 62.100 0.165 0.000 1.042 631 T CB 0.429 69.397 68.868 0.166 0.000 0.973 631 T HN 0.437 nan 8.240 nan 0.000 0.465 632 Y N 0.186 120.579 120.300 0.156 0.000 2.605 632 Y HA 0.643 5.192 4.550 -0.001 0.000 0.343 632 Y C -0.418 175.404 175.900 -0.131 0.000 1.036 632 Y CA -1.114 56.987 58.100 0.002 0.000 1.065 632 Y CB 1.800 40.277 38.460 0.029 0.000 1.288 632 Y HN 0.305 nan 8.280 nan 0.000 0.481 633 V N 3.499 123.362 119.914 -0.084 0.000 2.540 633 V HA 0.428 4.547 4.120 -0.001 0.000 0.302 633 V C -0.727 175.296 176.094 -0.119 0.000 1.035 633 V CA -0.919 61.262 62.300 -0.199 0.000 0.873 633 V CB 1.691 33.326 31.823 -0.313 0.000 0.992 633 V HN 0.504 nan 8.190 nan 0.000 0.428 634 L N 4.133 125.314 121.223 -0.070 0.000 2.282 634 L HA 0.680 5.019 4.340 -0.001 0.000 0.288 634 L C -0.062 176.816 176.870 0.014 0.000 1.033 634 L CA -0.097 54.722 54.840 -0.034 0.000 0.807 634 L CB 1.796 43.854 42.059 -0.001 0.000 1.209 634 L HN 0.605 nan 8.230 nan 0.000 0.423 635 T N 3.628 118.197 114.554 0.025 0.000 2.861 635 T HA 0.463 4.812 4.350 -0.001 0.000 0.287 635 T C -0.300 174.446 174.700 0.077 0.000 1.003 635 T CA -0.394 61.735 62.100 0.048 0.000 0.977 635 T CB 2.437 71.323 68.868 0.030 0.000 0.996 635 T HN 0.388 nan 8.240 nan 0.000 0.448 636 I N 2.990 123.614 120.570 0.091 0.000 2.612 636 I HA 0.582 4.751 4.170 -0.001 0.000 0.295 636 I C 0.270 176.451 176.117 0.107 0.000 1.011 636 I CA 0.183 61.554 61.300 0.118 0.000 1.326 636 I CB 0.769 38.841 38.000 0.120 0.000 1.427 636 I HN 0.839 nan 8.210 nan 0.000 0.537 637 S N 3.543 119.324 115.700 0.134 0.000 2.732 637 S HA 0.418 4.888 4.470 -0.001 0.000 0.293 637 S C -0.019 174.607 174.600 0.044 0.000 1.159 637 S CA -0.802 57.441 58.200 0.071 0.000 0.847 637 S CB 1.520 64.745 63.200 0.042 0.000 1.169 637 S HN 0.623 nan 8.310 nan 0.000 0.501 638 D N 1.150 121.514 120.400 -0.060 0.000 2.234 638 D HA 0.131 4.770 4.640 -0.001 0.000 0.205 638 D C 0.919 176.937 176.300 -0.471 0.000 0.962 638 D CA 1.350 55.267 54.000 -0.138 0.000 0.855 638 D CB 0.062 40.798 40.800 -0.107 0.000 0.951 638 D HN 0.667 nan 8.370 nan 0.000 0.500 639 S N -1.072 114.281 115.700 -0.578 0.000 2.685 639 S HA 0.368 4.837 4.470 -0.001 0.000 0.282 639 S C -0.530 173.679 174.600 -0.653 0.000 1.159 639 S CA -1.078 56.559 58.200 -0.938 0.000 0.833 639 S CB 2.168 65.089 63.200 -0.464 0.000 1.151 639 S HN -0.196 nan 8.310 nan 0.000 0.485 640 K N 1.908 122.028 120.400 -0.466 0.000 2.441 640 K HA 0.086 4.406 4.320 -0.001 0.000 0.273 640 K C -2.396 174.252 176.600 0.080 0.000 1.090 640 K CA -0.341 55.998 56.287 0.087 0.000 1.158 640 K CB -0.665 31.901 32.500 0.112 0.000 0.847 640 K HN 0.381 nan 8.250 nan 0.000 0.483 641 P HA -0.020 nan 4.420 nan 0.000 0.271 641 P C 0.595 177.930 177.300 0.059 0.000 1.218 641 P CA -0.247 62.913 63.100 0.100 0.000 0.780 641 P CB 0.742 32.521 31.700 0.133 0.000 0.901 642 E N 1.434 121.631 120.200 -0.005 0.000 2.097 642 E HA -0.267 4.082 4.350 -0.001 0.000 0.196 642 E C 0.617 177.067 176.600 -0.251 0.000 1.000 642 E CA 1.331 57.639 56.400 -0.153 0.000 0.804 642 E CB -0.073 29.474 29.700 -0.256 0.000 0.740 642 E HN 0.515 nan 8.360 nan 0.000 0.454 643 H N -0.859 118.224 119.070 0.022 0.000 2.505 643 H HA 0.197 4.752 4.556 -0.001 0.000 0.289 643 H C -0.372 174.953 175.328 -0.005 0.000 1.052 643 H CA 0.245 56.300 56.048 0.012 0.000 1.156 643 H CB 0.632 30.400 29.762 0.010 0.000 1.507 643 H HN -0.038 nan 8.280 nan 0.000 0.548 644 T N 1.571 116.150 114.554 0.043 0.000 2.792 644 T HA 0.289 4.638 4.350 -0.001 0.000 0.280 644 T C 0.331 174.911 174.700 -0.200 0.000 0.990 644 T CA -0.689 61.360 62.100 -0.085 0.000 0.960 644 T CB 2.003 70.813 68.868 -0.097 0.000 0.939 644 T HN 0.267 nan 8.240 nan 0.000 0.439 645 S N 2.529 118.072 115.700 -0.262 0.000 2.681 645 S HA 0.770 5.240 4.470 -0.001 0.000 0.299 645 S C -1.345 172.942 174.600 -0.522 0.000 1.113 645 S CA -0.799 57.272 58.200 -0.216 0.000 1.013 645 S CB 0.835 64.012 63.200 -0.038 0.000 1.076 645 S HN 0.568 nan 8.310 nan 0.000 0.534 646 Y N 0.062 120.367 120.300 0.009 0.000 2.376 646 Y HA 0.642 5.192 4.550 -0.001 0.000 0.340 646 Y C 0.571 176.522 175.900 0.086 0.000 0.965 646 Y CA -0.823 57.266 58.100 -0.018 0.000 1.078 646 Y CB 1.633 39.943 38.460 -0.250 0.000 1.193 646 Y HN 1.031 nan 8.280 nan 0.000 0.452 647 A N 2.095 125.108 122.820 0.321 0.000 2.462 647 A HA 0.438 4.757 4.320 -0.001 0.000 0.243 647 A C 0.394 178.175 177.584 0.328 0.000 1.076 647 A CA -0.254 51.956 52.037 0.289 0.000 0.773 647 A CB -0.122 19.049 19.000 0.285 0.000 1.010 647 A HN 0.781 nan 8.150 nan 0.000 0.493 648 S N 2.436 118.265 115.700 0.214 0.000 2.617 648 S HA 0.440 4.910 4.470 -0.001 0.000 0.269 648 S C -0.280 174.414 174.600 0.157 0.000 1.292 648 S CA -0.771 57.539 58.200 0.183 0.000 1.010 648 S CB 0.561 63.827 63.200 0.110 0.000 0.944 648 S HN 0.695 nan 8.310 nan 0.000 0.536 649 N N 0.768 119.539 118.700 0.118 0.000 2.295 649 N HA 0.467 5.207 4.740 -0.001 0.000 0.293 649 N C -1.951 173.497 175.510 -0.102 0.000 1.040 649 N CA -0.566 52.505 53.050 0.036 0.000 0.840 649 N CB 1.968 40.553 38.487 0.163 0.000 1.468 649 N HN 0.573 nan 8.380 nan 0.000 0.478 650 L N 2.522 123.642 121.223 -0.172 0.000 2.372 650 L HA 0.487 4.827 4.340 -0.001 0.000 0.274 650 L C -1.590 175.122 176.870 -0.265 0.000 0.988 650 L CA -0.690 54.021 54.840 -0.215 0.000 0.833 650 L CB 1.371 43.362 42.059 -0.114 0.000 1.236 650 L HN 0.444 nan 8.230 nan 0.000 0.410 651 L N 6.023 127.036 121.223 -0.350 0.000 2.257 651 L HA 0.523 4.862 4.340 -0.001 0.000 0.290 651 L C -1.122 175.726 176.870 -0.037 0.000 1.044 651 L CA 0.065 54.769 54.840 -0.226 0.000 0.810 651 L CB 0.794 42.727 42.059 -0.210 0.000 1.193 651 L HN 0.590 nan 8.230 nan 0.000 0.425 652 L N 7.227 128.443 121.223 -0.013 0.000 2.262 652 L HA 0.676 5.016 4.340 -0.001 0.000 0.288 652 L C -0.146 176.763 176.870 0.066 0.000 1.035 652 L CA -0.476 54.386 54.840 0.038 0.000 0.820 652 L CB 0.515 42.587 42.059 0.022 0.000 1.204 652 L HN 0.722 nan 8.230 nan 0.000 0.424 653 R N 2.070 122.620 120.500 0.084 0.000 2.753 653 R HA 0.408 4.748 4.340 -0.001 0.000 0.272 653 R C -1.683 174.653 176.300 0.060 0.000 1.034 653 R CA -1.100 55.043 56.100 0.072 0.000 0.869 653 R CB 1.330 31.674 30.300 0.074 0.000 1.264 653 R HN 0.200 nan 8.270 nan 0.000 0.481 654 K N 1.586 122.009 120.400 0.039 0.000 2.237 654 K HA 0.089 4.408 4.320 -0.001 0.000 0.270 654 K C -0.143 176.458 176.600 0.001 0.000 1.015 654 K CA -0.343 55.957 56.287 0.022 0.000 0.949 654 K CB 0.391 32.902 32.500 0.018 0.000 0.976 654 K HN 0.817 nan 8.250 nan 0.000 0.472 655 N N 0.877 119.566 118.700 -0.018 0.000 2.746 655 N HA -0.104 4.636 4.740 -0.001 0.000 0.250 655 N C -2.614 172.852 175.510 -0.075 0.000 1.055 655 N CA 0.072 53.094 53.050 -0.047 0.000 0.699 655 N CB -0.746 37.716 38.487 -0.041 0.000 0.919 655 N HN 0.406 nan 8.380 nan 0.000 0.548 656 P HA 0.248 nan 4.420 nan 0.000 0.274 656 P C -0.203 176.933 177.300 -0.273 0.000 1.231 656 P CA -0.044 62.957 63.100 -0.166 0.000 0.790 656 P CB 0.899 32.455 31.700 -0.241 0.000 0.951 657 T N -2.198 112.207 114.554 -0.248 0.000 2.942 657 T HA 0.481 4.831 4.350 -0.001 0.000 0.289 657 T C 0.343 174.874 174.700 -0.281 0.000 1.044 657 T CA -0.770 61.186 62.100 -0.241 0.000 1.023 657 T CB 0.589 69.388 68.868 -0.114 0.000 1.123 657 T HN 0.477 nan 8.240 nan 0.000 0.512 658 S N 0.667 116.250 115.700 -0.194 0.000 2.569 658 S HA 0.344 4.814 4.470 -0.001 0.000 0.274 658 S C -0.192 174.525 174.600 0.195 0.000 1.353 658 S CA -0.716 57.472 58.200 -0.019 0.000 1.023 658 S CB -0.392 62.810 63.200 0.005 0.000 0.876 658 S HN 0.687 nan 8.310 nan 0.000 0.540 659 L N 2.290 123.727 121.223 0.357 0.000 2.489 659 L HA 0.381 4.721 4.340 -0.001 0.000 0.257 659 L C -2.413 174.577 176.870 0.199 0.000 1.215 659 L CA -1.531 53.491 54.840 0.303 0.000 0.915 659 L CB 1.708 44.029 42.059 0.436 0.000 1.146 659 L HN 0.588 nan 8.230 nan 0.000 0.494 660 P HA 0.270 nan 4.420 nan 0.000 0.277 660 P C -0.185 177.121 177.300 0.009 0.000 1.240 660 P CA -0.259 62.885 63.100 0.073 0.000 0.798 660 P CB 1.805 33.537 31.700 0.053 0.000 0.979 661 L N 0.912 122.150 121.223 0.024 0.000 3.313 661 L HA 0.285 4.624 4.340 -0.001 0.000 0.320 661 L C 1.408 178.352 176.870 0.123 0.000 1.304 661 L CA -0.226 54.608 54.840 -0.011 0.000 0.920 661 L CB 0.100 42.123 42.059 -0.061 0.000 1.357 661 L HN 0.708 nan 8.230 nan 0.000 0.602 662 G N 1.063 109.913 108.800 0.084 0.000 2.685 662 G HA2 -0.421 3.538 3.960 -0.001 0.000 0.329 662 G HA3 -0.421 3.538 3.960 -0.001 0.000 0.329 662 G C 0.636 175.596 174.900 0.100 0.000 1.271 662 G CA 0.910 46.077 45.100 0.111 0.000 1.003 662 G HN 0.496 nan 8.290 nan 0.000 0.549 663 Q N -0.547 119.295 119.800 0.070 0.000 2.472 663 Q HA 0.138 4.478 4.340 -0.001 0.000 0.208 663 Q C 0.840 176.678 176.000 -0.269 0.000 0.958 663 Q CA 0.233 55.971 55.803 -0.110 0.000 0.932 663 Q CB 0.214 28.805 28.738 -0.246 0.000 1.007 663 Q HN 0.506 nan 8.270 nan 0.000 0.508 664 Y N 3.943 124.056 120.300 -0.311 0.000 2.802 664 Y HA -0.064 4.486 4.550 -0.001 0.000 0.333 664 Y C -1.364 174.393 175.900 -0.239 0.000 1.244 664 Y CA -1.410 56.489 58.100 -0.335 0.000 1.558 664 Y CB 0.799 39.217 38.460 -0.069 0.000 1.233 664 Y HN 0.066 nan 8.280 nan 0.000 0.547 665 P HA -0.067 nan 4.420 nan 0.000 0.237 665 P C -0.677 176.476 177.300 -0.245 0.000 1.178 665 P CA 0.993 63.839 63.100 -0.424 0.000 0.766 665 P CB 0.510 31.836 31.700 -0.623 0.000 0.876 666 E N 1.012 121.109 120.200 -0.173 0.000 2.176 666 E HA 0.214 4.563 4.350 -0.001 0.000 0.267 666 E C -0.544 176.182 176.600 0.209 0.000 0.893 666 E CA -0.593 55.841 56.400 0.057 0.000 0.761 666 E CB 1.406 31.182 29.700 0.126 0.000 1.133 666 E HN 0.035 nan 8.360 nan 0.000 0.409 667 D N 1.404 121.884 120.400 0.134 0.000 2.389 667 D HA 0.074 4.714 4.640 -0.001 0.000 0.247 667 D C 0.199 176.567 176.300 0.113 0.000 1.128 667 D CA -0.168 53.914 54.000 0.137 0.000 0.884 667 D CB 1.125 41.992 40.800 0.112 0.000 1.194 667 D HN 0.035 nan 8.370 nan 0.000 0.441 668 V N 2.796 122.761 119.914 0.085 0.000 2.655 668 V HA -0.023 4.096 4.120 -0.001 0.000 0.300 668 V C 0.694 176.625 176.094 -0.272 0.000 1.044 668 V CA 0.223 62.466 62.300 -0.095 0.000 1.095 668 V CB 0.554 32.288 31.823 -0.148 0.000 0.952 668 V HN 0.363 nan 8.190 nan 0.000 0.485 669 K N 3.553 123.736 120.400 -0.361 0.000 2.118 669 K HA 0.713 5.032 4.320 -0.001 0.000 0.254 669 K C -1.012 175.228 176.600 -0.599 0.000 0.961 669 K CA -0.104 56.008 56.287 -0.292 0.000 0.876 669 K CB 1.265 33.710 32.500 -0.093 0.000 1.077 669 K HN 0.421 nan 8.250 nan 0.000 0.440 670 F N -0.352 119.611 119.950 0.021 0.000 2.593 670 F HA 0.792 5.318 4.527 -0.001 0.000 0.320 670 F C 0.595 176.400 175.800 0.008 0.000 1.060 670 F CA -0.646 57.358 58.000 0.007 0.000 0.940 670 F CB 2.653 41.657 39.000 0.007 0.000 1.268 670 F HN 0.534 nan 8.300 nan 0.000 0.475 671 G N 0.295 109.205 108.800 0.183 0.000 2.576 671 G HA2 0.397 4.357 3.960 -0.001 0.000 0.290 671 G HA3 0.397 4.357 3.960 -0.001 0.000 0.290 671 G C -2.182 172.771 174.900 0.089 0.000 1.442 671 G CA -0.861 44.305 45.100 0.109 0.000 0.792 671 G HN 0.369 nan 8.290 nan 0.000 0.491 672 D N 1.002 121.441 120.400 0.066 0.000 2.399 672 D HA 0.384 5.023 4.640 -0.001 0.000 0.241 672 D C -1.938 174.392 176.300 0.050 0.000 1.133 672 D CA -0.571 53.461 54.000 0.053 0.000 0.890 672 D CB 0.916 41.741 40.800 0.042 0.000 1.201 672 D HN 0.013 nan 8.370 nan 0.000 0.432 673 P HA 0.020 nan 4.420 nan 0.000 0.263 673 P C -0.462 176.867 177.300 0.047 0.000 1.175 673 P CA 0.519 63.650 63.100 0.050 0.000 0.761 673 P CB 0.322 32.053 31.700 0.053 0.000 0.794 674 R N 0.541 121.071 120.500 0.050 0.000 2.664 674 R HA 0.395 4.734 4.340 -0.001 0.000 0.266 674 R C -1.146 175.192 176.300 0.063 0.000 1.046 674 R CA -1.006 55.124 56.100 0.050 0.000 0.885 674 R CB 1.104 31.429 30.300 0.042 0.000 1.254 674 R HN 0.224 nan 8.270 nan 0.000 0.465 675 E N 1.965 122.203 120.200 0.064 0.000 2.413 675 E HA 0.188 4.537 4.350 -0.001 0.000 0.263 675 E C -0.001 176.655 176.600 0.093 0.000 1.015 675 E CA 0.210 56.662 56.400 0.086 0.000 0.916 675 E CB 0.699 30.434 29.700 0.057 0.000 0.947 675 E HN 0.453 nan 8.360 nan 0.000 0.440 676 I N -1.840 118.820 120.570 0.150 0.000 2.969 676 I HA 0.566 4.735 4.170 -0.001 0.000 0.307 676 I C -0.654 175.606 176.117 0.239 0.000 1.149 676 I CA -0.751 60.639 61.300 0.149 0.000 1.008 676 I CB 2.521 40.580 38.000 0.097 0.000 1.232 676 I HN 0.120 nan 8.210 nan 0.000 0.435 677 S N 3.934 119.745 115.700 0.186 0.000 2.536 677 S HA 0.817 5.286 4.470 -0.001 0.000 0.287 677 S C -0.858 173.859 174.600 0.196 0.000 1.101 677 S CA -0.611 57.712 58.200 0.206 0.000 0.950 677 S CB 1.618 64.887 63.200 0.115 0.000 1.056 677 S HN 0.534 nan 8.310 nan 0.000 0.481 678 L N 2.333 123.701 121.223 0.242 0.000 2.409 678 L HA 0.681 5.020 4.340 -0.001 0.000 0.262 678 L C -0.426 176.540 176.870 0.160 0.000 0.992 678 L CA -0.671 54.284 54.840 0.192 0.000 0.817 678 L CB 2.250 44.442 42.059 0.223 0.000 1.350 678 L HN 0.480 nan 8.230 nan 0.000 0.411 679 R N 1.879 122.450 120.500 0.119 0.000 2.515 679 R HA 0.614 4.954 4.340 -0.001 0.000 0.291 679 R C -2.002 174.347 176.300 0.081 0.000 1.046 679 R CA -0.468 55.689 56.100 0.095 0.000 0.914 679 R CB 2.215 32.562 30.300 0.080 0.000 1.191 679 R HN 0.401 nan 8.270 nan 0.000 0.435 680 V N 4.654 124.614 119.914 0.078 0.000 2.427 680 V HA 0.544 4.664 4.120 -0.001 0.000 0.286 680 V C 1.115 177.243 176.094 0.055 0.000 1.034 680 V CA 0.657 62.997 62.300 0.067 0.000 0.893 680 V CB 1.082 32.947 31.823 0.070 0.000 0.982 680 V HN 1.108 nan 8.190 nan 0.000 0.452 681 G N 5.355 114.186 108.800 0.051 0.000 2.596 681 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.295 681 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.295 681 G C 0.350 175.273 174.900 0.038 0.000 1.240 681 G CA 0.685 45.811 45.100 0.043 0.000 0.985 681 G HN 1.297 nan 8.290 nan 0.000 0.555 682 N N 1.484 120.203 118.700 0.031 0.000 2.279 682 N HA 0.459 5.199 4.740 -0.001 0.000 0.226 682 N C 0.870 176.392 175.510 0.020 0.000 1.126 682 N CA 1.080 54.145 53.050 0.024 0.000 0.846 682 N CB 0.225 38.723 38.487 0.019 0.000 1.050 682 N HN 0.960 nan 8.380 nan 0.000 0.502 683 G N 0.580 109.396 108.800 0.027 0.000 2.494 683 G HA2 0.389 4.349 3.960 -0.001 0.000 0.270 683 G HA3 0.389 4.349 3.960 -0.001 0.000 0.270 683 G C -2.446 172.467 174.900 0.021 0.000 1.423 683 G CA -1.202 43.912 45.100 0.023 0.000 1.055 683 G HN 0.181 nan 8.290 nan 0.000 0.536 684 P HA 0.216 nan 4.420 nan 0.000 0.272 684 P C -0.518 176.803 177.300 0.035 0.000 1.223 684 P CA 0.057 63.165 63.100 0.012 0.000 0.784 684 P CB 0.850 32.554 31.700 0.006 0.000 0.923 685 T N 2.747 117.321 114.554 0.032 0.000 2.767 685 T HA 0.454 4.804 4.350 -0.001 0.000 0.284 685 T C 0.007 174.746 174.700 0.066 0.000 0.973 685 T CA -0.358 61.786 62.100 0.073 0.000 0.996 685 T CB 0.082 69.010 68.868 0.099 0.000 0.927 685 T HN 0.172 nan 8.240 nan 0.000 0.456 686 L N 2.720 123.985 121.223 0.069 0.000 2.322 686 L HA 0.770 5.109 4.340 -0.001 0.000 0.281 686 L C 0.169 176.987 176.870 -0.087 0.000 1.014 686 L CA -1.172 53.629 54.840 -0.064 0.000 0.815 686 L CB 1.537 43.534 42.059 -0.103 0.000 1.247 686 L HN 0.634 nan 8.230 nan 0.000 0.421 687 A N 3.268 125.954 122.820 -0.222 0.000 2.330 687 A HA 0.855 5.174 4.320 -0.001 0.000 0.327 687 A C -1.173 176.206 177.584 -0.340 0.000 1.155 687 A CA -0.303 51.655 52.037 -0.131 0.000 0.803 687 A CB 0.747 19.706 19.000 -0.070 0.000 1.208 687 A HN 0.508 nan 8.150 nan 0.000 0.477 688 F N 0.953 120.944 119.950 0.069 0.000 2.546 688 F HA 0.526 5.053 4.527 -0.001 0.000 0.320 688 F C 1.133 176.977 175.800 0.074 0.000 1.076 688 F CA -0.279 57.779 58.000 0.097 0.000 0.928 688 F CB 2.151 41.212 39.000 0.102 0.000 1.189 688 F HN 0.671 nan 8.300 nan 0.000 0.465 689 S N 0.250 116.115 115.700 0.275 0.000 2.589 689 S HA 0.071 4.541 4.470 -0.001 0.000 0.265 689 S C 1.081 175.787 174.600 0.176 0.000 1.342 689 S CA -0.052 58.253 58.200 0.176 0.000 1.005 689 S CB 0.725 64.025 63.200 0.167 0.000 0.909 689 S HN 0.860 nan 8.310 nan 0.000 0.555 690 E N 0.211 120.481 120.200 0.116 0.000 2.401 690 E HA -0.225 4.125 4.350 -0.001 0.000 0.199 690 E C 1.286 177.947 176.600 0.102 0.000 1.023 690 E CA 1.125 57.583 56.400 0.097 0.000 0.859 690 E CB -0.405 29.336 29.700 0.069 0.000 0.780 690 E HN 0.787 nan 8.360 nan 0.000 0.523 691 Q N -0.026 119.849 119.800 0.126 0.000 2.320 691 Q HA 0.206 4.545 4.340 -0.001 0.000 0.201 691 Q C 0.863 176.952 176.000 0.149 0.000 0.910 691 Q CA 0.499 56.376 55.803 0.123 0.000 0.946 691 Q CB 0.911 29.723 28.738 0.123 0.000 1.062 691 Q HN 0.489 nan 8.270 nan 0.000 0.503 692 G N 0.323 109.233 108.800 0.184 0.000 2.136 692 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.242 692 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.242 692 G C -0.316 174.816 174.900 0.387 0.000 0.989 692 G CA -0.208 45.006 45.100 0.190 0.000 0.682 692 G HN 0.258 nan 8.290 nan 0.000 0.522 693 L N -0.075 121.418 121.223 0.451 0.000 2.317 693 L HA 0.673 5.013 4.340 -0.001 0.000 0.281 693 L C 0.829 178.009 176.870 0.517 0.000 1.024 693 L CA -1.352 53.796 54.840 0.514 0.000 0.810 693 L CB 1.594 43.857 42.059 0.341 0.000 1.240 693 L HN 0.139 nan 8.230 nan 0.000 0.427 694 L N 3.491 124.982 121.223 0.446 0.000 2.593 694 L HA -0.084 4.255 4.340 -0.001 0.000 0.287 694 L C 1.057 178.012 176.870 0.141 0.000 1.243 694 L CA 1.022 55.866 54.840 0.007 0.000 0.890 694 L CB 0.130 42.222 42.059 0.056 0.000 1.134 694 L HN 0.812 nan 8.230 nan 0.000 0.502 695 K N 1.387 121.766 120.400 -0.034 0.000 2.474 695 K HA 0.320 4.640 4.320 -0.001 0.000 0.204 695 K C -0.059 176.484 176.600 -0.095 0.000 1.220 695 K CA 0.298 56.576 56.287 -0.015 0.000 0.966 695 K CB 0.457 32.908 32.500 -0.081 0.000 1.049 695 K HN 0.589 nan 8.250 nan 0.000 0.554 696 S N 0.379 115.998 115.700 -0.134 0.000 2.565 696 S HA 0.601 5.070 4.470 -0.001 0.000 0.269 696 S C -1.152 173.393 174.600 -0.092 0.000 1.153 696 S CA -0.989 57.156 58.200 -0.092 0.000 0.835 696 S CB 1.342 64.530 63.200 -0.021 0.000 1.122 696 S HN 0.181 nan 8.310 nan 0.000 0.462 697 I N 1.518 122.053 120.570 -0.058 0.000 2.498 697 I HA 0.470 4.639 4.170 -0.001 0.000 0.290 697 I C -0.599 175.493 176.117 -0.042 0.000 1.032 697 I CA -0.402 60.869 61.300 -0.049 0.000 1.073 697 I CB 2.164 40.121 38.000 -0.072 0.000 1.251 697 I HN 0.730 nan 8.210 nan 0.000 0.426 698 Q N 6.089 125.859 119.800 -0.051 0.000 2.341 698 Q HA 0.422 4.761 4.340 -0.001 0.000 0.268 698 Q C -0.063 175.875 176.000 -0.104 0.000 1.013 698 Q CA -0.538 55.168 55.803 -0.162 0.000 0.798 698 Q CB 1.801 30.290 28.738 -0.415 0.000 1.253 698 Q HN 0.782 nan 8.270 nan 0.000 0.457 699 L N 1.986 123.153 121.223 -0.094 0.000 2.027 699 L HA -0.037 4.303 4.340 -0.001 0.000 0.206 699 L C 1.167 178.005 176.870 -0.053 0.000 1.074 699 L CA 1.371 56.174 54.840 -0.062 0.000 0.745 699 L CB -0.322 41.703 42.059 -0.058 0.000 0.898 699 L HN 0.668 nan 8.230 nan 0.000 0.433 700 T N -5.971 108.542 114.554 -0.068 0.000 2.901 700 T HA 0.217 4.566 4.350 -0.001 0.000 0.293 700 T C 0.545 175.207 174.700 -0.063 0.000 1.084 700 T CA -0.858 61.211 62.100 -0.051 0.000 1.008 700 T CB 1.959 70.802 68.868 -0.041 0.000 1.170 700 T HN -0.081 nan 8.240 nan 0.000 0.509 701 Q N 1.074 120.852 119.800 -0.037 0.000 2.103 701 Q HA -0.234 4.106 4.340 -0.001 0.000 0.213 701 Q C 1.810 177.784 176.000 -0.044 0.000 1.008 701 Q CA 2.719 58.506 55.803 -0.028 0.000 0.879 701 Q CB -0.371 28.362 28.738 -0.008 0.000 0.946 701 Q HN 0.931 nan 8.270 nan 0.000 0.413 702 D N -0.311 120.062 120.400 -0.044 0.000 2.249 702 D HA -0.048 4.591 4.640 -0.001 0.000 0.205 702 D C 0.871 177.129 176.300 -0.069 0.000 0.962 702 D CA 0.524 54.499 54.000 -0.042 0.000 0.860 702 D CB -0.186 40.597 40.800 -0.027 0.000 0.955 702 D HN 0.094 nan 8.370 nan 0.000 0.505 703 S N 1.184 116.828 115.700 -0.095 0.000 2.580 703 S HA 0.257 4.726 4.470 -0.001 0.000 0.266 703 S C -2.493 172.006 174.600 -0.168 0.000 1.354 703 S CA -1.047 57.088 58.200 -0.108 0.000 1.008 703 S CB 0.504 63.644 63.200 -0.101 0.000 0.898 703 S HN -0.096 nan 8.310 nan 0.000 0.555 704 P HA 0.160 nan 4.420 nan 0.000 0.272 704 P C -0.524 176.656 177.300 -0.199 0.000 1.230 704 P CA -0.165 62.868 63.100 -0.112 0.000 0.788 704 P CB 0.164 31.841 31.700 -0.038 0.000 0.949 705 H N 0.672 119.729 119.070 -0.022 0.000 3.067 705 H HA 0.139 4.695 4.556 -0.001 0.000 0.265 705 H C -0.193 175.107 175.328 -0.048 0.000 1.234 705 H CA -0.269 55.758 56.048 -0.035 0.000 1.452 705 H CB -0.282 29.462 29.762 -0.031 0.000 1.527 705 H HN 0.101 nan 8.280 nan 0.000 0.486 706 V N 6.560 126.474 119.914 -0.000 0.000 2.470 706 V HA 0.049 4.169 4.120 -0.001 0.000 0.276 706 V C -1.875 174.175 176.094 -0.072 0.000 1.040 706 V CA -1.557 60.721 62.300 -0.036 0.000 1.008 706 V CB 0.635 32.423 31.823 -0.059 0.000 0.990 706 V HN 0.517 nan 8.190 nan 0.000 0.477 707 P HA 0.127 nan 4.420 nan 0.000 0.260 707 P C -0.739 176.420 177.300 -0.234 0.000 1.207 707 P CA 0.355 63.329 63.100 -0.209 0.000 0.780 707 P CB 0.305 31.765 31.700 -0.400 0.000 0.789 708 V N 4.478 124.284 119.914 -0.180 0.000 2.509 708 V HA 0.243 4.363 4.120 -0.001 0.000 0.289 708 V C -0.664 175.330 176.094 -0.165 0.000 1.026 708 V CA -0.457 61.719 62.300 -0.206 0.000 0.872 708 V CB 1.183 32.873 31.823 -0.221 0.000 1.017 708 V HN 0.510 nan 8.190 nan 0.000 0.436 709 H N 4.455 123.356 119.070 -0.281 0.000 2.505 709 H HA 0.667 5.223 4.556 -0.001 0.000 0.338 709 H C -1.217 173.974 175.328 -0.229 0.000 1.057 709 H CA -1.006 54.923 56.048 -0.199 0.000 1.202 709 H CB 1.126 30.816 29.762 -0.120 0.000 1.466 709 H HN 0.393 nan 8.280 nan 0.000 0.499 710 F N 3.843 123.514 119.950 -0.465 0.000 2.399 710 F HA 0.375 4.902 4.527 -0.001 0.000 0.342 710 F C 0.421 175.716 175.800 -0.842 0.000 1.106 710 F CA 0.023 57.693 58.000 -0.550 0.000 1.196 710 F CB 0.873 39.673 39.000 -0.333 0.000 1.163 710 F HN 0.460 nan 8.300 nan 0.000 0.547 711 K N 3.175 123.322 120.400 -0.422 0.000 2.523 711 K HA 0.472 4.792 4.320 -0.001 0.000 0.257 711 K C -1.985 174.352 176.600 -0.439 0.000 0.932 711 K CA -0.570 55.506 56.287 -0.350 0.000 0.812 711 K CB 1.287 33.641 32.500 -0.243 0.000 1.326 711 K HN 0.381 nan 8.250 nan 0.000 0.433 712 F N 4.117 123.989 119.950 -0.129 0.000 2.436 712 F HA 0.482 5.008 4.527 -0.001 0.000 0.340 712 F C -0.330 175.427 175.800 -0.072 0.000 1.113 712 F CA -0.579 57.360 58.000 -0.102 0.000 1.022 712 F CB 1.107 40.031 39.000 -0.126 0.000 1.128 712 F HN 0.235 nan 8.300 nan 0.000 0.466 713 L N 2.805 124.070 121.223 0.070 0.000 2.277 713 L HA 0.648 4.988 4.340 -0.001 0.000 0.254 713 L C -1.088 175.777 176.870 -0.008 0.000 1.044 713 L CA -1.026 53.807 54.840 -0.011 0.000 0.842 713 L CB 2.210 44.204 42.059 -0.108 0.000 1.422 713 L HN 0.490 nan 8.230 nan 0.000 0.422 714 K N -0.503 119.852 120.400 -0.075 0.000 2.427 714 K HA 0.656 4.975 4.320 -0.001 0.000 0.252 714 K C -1.790 174.735 176.600 -0.124 0.000 0.931 714 K CA -0.809 55.462 56.287 -0.026 0.000 0.793 714 K CB 1.715 34.232 32.500 0.029 0.000 1.211 714 K HN 0.234 nan 8.250 nan 0.000 0.426 715 Y N 0.596 120.959 120.300 0.105 0.000 2.352 715 Y HA 0.502 5.052 4.550 -0.001 0.000 0.326 715 Y C 1.021 176.982 175.900 0.101 0.000 1.166 715 Y CA 0.101 58.277 58.100 0.127 0.000 1.182 715 Y CB 2.101 40.709 38.460 0.247 0.000 1.216 715 Y HN 0.921 nan 8.280 nan 0.000 0.474 716 G N 0.624 109.570 108.800 0.244 0.000 2.828 716 G HA2 0.620 4.579 3.960 -0.001 0.000 0.244 716 G HA3 0.620 4.579 3.960 -0.001 0.000 0.244 716 G C -1.430 173.551 174.900 0.135 0.000 1.365 716 G CA -0.716 44.473 45.100 0.148 0.000 1.041 716 G HN 0.435 nan 8.290 nan 0.000 0.560 717 V N -0.119 119.840 119.914 0.076 0.000 2.769 717 V HA 0.452 4.571 4.120 -0.001 0.000 0.312 717 V C -0.026 176.075 176.094 0.012 0.000 1.061 717 V CA -0.847 61.481 62.300 0.046 0.000 0.931 717 V CB 1.930 33.779 31.823 0.042 0.000 1.010 717 V HN 0.692 nan 8.190 nan 0.000 0.433 718 R N 1.433 121.931 120.500 -0.004 0.000 2.590 718 R HA 0.188 4.528 4.340 -0.001 0.000 0.274 718 R C 1.156 177.418 176.300 -0.064 0.000 1.061 718 R CA 0.475 56.563 56.100 -0.020 0.000 1.081 718 R CB 0.521 30.819 30.300 -0.003 0.000 0.984 718 R HN 0.905 nan 8.270 nan 0.000 0.448 719 S N 1.234 116.846 115.700 -0.147 0.000 2.524 719 S HA 0.054 4.523 4.470 -0.001 0.000 0.216 719 S C 0.306 174.609 174.600 -0.495 0.000 0.987 719 S CA -0.085 57.931 58.200 -0.307 0.000 0.909 719 S CB 0.104 63.074 63.200 -0.384 0.000 0.781 719 S HN 0.561 nan 8.310 nan 0.000 0.521 720 H N 0.302 119.373 119.070 0.002 0.000 2.768 720 H HA 0.610 5.165 4.556 -0.001 0.000 0.371 720 H C 0.922 176.247 175.328 -0.004 0.000 1.151 720 H CA -0.173 55.874 56.048 -0.001 0.000 1.165 720 H CB 1.309 31.070 29.762 -0.001 0.000 1.722 720 H HN 0.388 nan 8.280 nan 0.000 0.543 721 G N 2.073 110.943 108.800 0.116 0.000 2.542 721 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.235 721 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.235 721 G C -0.879 174.037 174.900 0.027 0.000 1.286 721 G CA -0.393 44.742 45.100 0.058 0.000 0.904 721 G HN 0.612 nan 8.290 nan 0.000 0.577 722 D N 1.649 122.057 120.400 0.012 0.000 2.350 722 D HA 0.491 5.130 4.640 -0.001 0.000 0.249 722 D C 0.854 177.150 176.300 -0.007 0.000 1.119 722 D CA 0.018 54.016 54.000 -0.004 0.000 0.886 722 D CB 0.627 41.420 40.800 -0.013 0.000 1.195 722 D HN 0.394 nan 8.370 nan 0.000 0.437 723 R N 1.108 121.603 120.500 -0.008 0.000 2.428 723 R HA 0.324 4.663 4.340 -0.001 0.000 0.294 723 R C 0.108 176.408 176.300 0.001 0.000 1.000 723 R CA -0.650 55.449 56.100 -0.002 0.000 0.960 723 R CB 0.689 30.991 30.300 0.002 0.000 1.076 723 R HN 0.272 nan 8.270 nan 0.000 0.475 724 S N 0.311 116.021 115.700 0.018 0.000 2.563 724 S HA 0.394 4.863 4.470 -0.001 0.000 0.284 724 S C 0.693 175.318 174.600 0.042 0.000 1.331 724 S CA 0.330 58.557 58.200 0.044 0.000 1.047 724 S CB 0.836 64.096 63.200 0.099 0.000 0.859 724 S HN 0.765 nan 8.310 nan 0.000 0.514 725 G N -0.135 108.691 108.800 0.045 0.000 2.815 725 G HA2 0.589 4.548 3.960 -0.001 0.000 0.305 725 G HA3 0.589 4.548 3.960 -0.001 0.000 0.305 725 G C 0.580 175.509 174.900 0.048 0.000 1.277 725 G CA -0.134 44.998 45.100 0.055 0.000 0.795 725 G HN 0.715 nan 8.290 nan 0.000 0.528 726 A N -1.233 121.604 122.820 0.029 0.000 1.986 726 A HA 0.018 4.338 4.320 -0.001 0.000 0.220 726 A C 1.926 179.432 177.584 -0.129 0.000 1.171 726 A CA 2.237 54.231 52.037 -0.071 0.000 0.640 726 A CB -0.661 18.231 19.000 -0.179 0.000 0.811 726 A HN 0.605 nan 8.150 nan 0.000 0.451 727 Y N -0.872 119.371 120.300 -0.095 0.000 2.314 727 Y HA 0.345 4.894 4.550 -0.001 0.000 0.294 727 Y C 0.923 176.722 175.900 -0.169 0.000 1.139 727 Y CA -0.022 57.952 58.100 -0.211 0.000 1.162 727 Y CB -0.233 37.745 38.460 -0.803 0.000 1.121 727 Y HN 0.026 nan 8.280 nan 0.000 0.529 728 L N 0.575 121.767 121.223 -0.053 0.000 2.334 728 L HA 0.195 4.535 4.340 -0.001 0.000 0.277 728 L C -1.072 175.855 176.870 0.094 0.000 1.075 728 L CA -0.522 54.289 54.840 -0.049 0.000 0.804 728 L CB 0.805 42.780 42.059 -0.139 0.000 1.174 728 L HN 0.033 nan 8.230 nan 0.000 0.438 729 F N 4.873 124.769 119.950 -0.091 0.000 2.332 729 F HA 0.477 5.004 4.527 -0.001 0.000 0.368 729 F C -0.697 175.031 175.800 -0.121 0.000 1.110 729 F CA -1.134 56.773 58.000 -0.155 0.000 1.087 729 F CB 0.590 39.426 39.000 -0.274 0.000 1.235 729 F HN 0.211 nan 8.300 nan 0.000 0.470 730 L N 9.091 130.208 121.223 -0.176 0.000 2.556 730 L HA 0.339 4.679 4.340 -0.001 0.000 0.243 730 L C -2.372 174.326 176.870 -0.286 0.000 1.331 730 L CA -1.735 52.953 54.840 -0.254 0.000 0.927 730 L CB 1.008 43.014 42.059 -0.087 0.000 1.219 730 L HN 0.383 nan 8.230 nan 0.000 0.490 731 P HA 0.061 nan 4.420 nan 0.000 0.274 731 P C -0.520 176.717 177.300 -0.104 0.000 1.231 731 P CA -0.331 62.596 63.100 -0.288 0.000 0.790 731 P CB 0.603 32.013 31.700 -0.482 0.000 0.951 732 N N 0.981 119.690 118.700 0.015 0.000 3.250 732 N HA 0.295 5.034 4.740 -0.001 0.000 0.307 732 N C 0.630 176.167 175.510 0.045 0.000 1.355 732 N CA -0.224 52.840 53.050 0.022 0.000 1.192 732 N CB -0.789 37.717 38.487 0.031 0.000 1.478 732 N HN 0.739 nan 8.380 nan 0.000 0.543 733 G N 0.766 109.589 108.800 0.038 0.000 2.655 733 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.680 733 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.680 733 G C -3.110 171.873 174.900 0.138 0.000 1.302 733 G CA -1.080 44.054 45.100 0.058 0.000 0.872 733 G HN 0.371 nan 8.290 nan 0.000 0.540 734 P HA 0.479 nan 4.420 nan 0.000 0.270 734 P C 0.483 177.735 177.300 -0.081 0.000 1.223 734 P CA 0.567 63.735 63.100 0.114 0.000 0.785 734 P CB 0.393 32.126 31.700 0.054 0.000 0.923 735 A N 1.775 124.346 122.820 -0.414 0.000 2.483 735 A HA 0.340 4.660 4.320 -0.001 0.000 0.238 735 A C 0.234 177.661 177.584 -0.261 0.000 1.070 735 A CA 0.354 51.988 52.037 -0.672 0.000 0.770 735 A CB -0.407 18.004 19.000 -0.982 0.000 1.008 735 A HN 0.471 nan 8.150 nan 0.000 0.497 736 S N 2.769 118.357 115.700 -0.187 0.000 2.509 736 S HA 0.567 5.037 4.470 -0.001 0.000 0.297 736 S C -2.645 171.916 174.600 -0.066 0.000 1.118 736 S CA -1.004 57.144 58.200 -0.087 0.000 1.074 736 S CB 1.215 64.387 63.200 -0.047 0.000 1.038 736 S HN 0.577 nan 8.310 nan 0.000 0.498 737 P HA 0.083 nan 4.420 nan 0.000 0.265 737 P C -0.704 176.602 177.300 0.009 0.000 1.193 737 P CA -0.298 62.799 63.100 -0.005 0.000 0.765 737 P CB 0.262 31.969 31.700 0.012 0.000 0.823 738 V N 3.839 123.772 119.914 0.031 0.000 2.585 738 V HA -0.032 4.087 4.120 -0.001 0.000 0.296 738 V C 0.970 177.079 176.094 0.024 0.000 1.035 738 V CA 0.277 62.594 62.300 0.029 0.000 1.084 738 V CB -0.359 31.489 31.823 0.041 0.000 0.953 738 V HN 0.520 nan 8.190 nan 0.000 0.483 739 E N 4.268 124.476 120.200 0.014 0.000 2.257 739 E HA 0.158 4.508 4.350 -0.001 0.000 0.278 739 E C 0.471 177.077 176.600 0.010 0.000 1.049 739 E CA -0.179 56.230 56.400 0.015 0.000 0.876 739 E CB 0.808 30.515 29.700 0.012 0.000 1.035 739 E HN 0.557 nan 8.360 nan 0.000 0.419 740 L N 2.779 124.014 121.223 0.019 0.000 2.477 740 L HA 0.137 4.477 4.340 -0.001 0.000 0.220 740 L C 1.377 178.257 176.870 0.016 0.000 1.106 740 L CA 0.366 55.214 54.840 0.013 0.000 0.851 740 L CB -0.615 41.462 42.059 0.031 0.000 0.994 740 L HN 0.872 nan 8.230 nan 0.000 0.462 741 G N 0.889 109.703 108.800 0.023 0.000 2.574 741 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.286 741 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.286 741 G C 0.065 174.986 174.900 0.035 0.000 1.212 741 G CA 0.309 45.425 45.100 0.027 0.000 0.979 741 G HN 0.365 nan 8.290 nan 0.000 0.557 742 Q N 1.593 121.417 119.800 0.040 0.000 2.644 742 Q HA 0.470 4.810 4.340 -0.001 0.000 0.245 742 Q C -2.218 173.817 176.000 0.058 0.000 1.064 742 Q CA -1.652 54.179 55.803 0.047 0.000 0.860 742 Q CB 1.154 29.918 28.738 0.042 0.000 1.145 742 Q HN 0.594 nan 8.270 nan 0.000 0.515 743 P HA 0.064 nan 4.420 nan 0.000 0.274 743 P C -0.422 176.945 177.300 0.111 0.000 1.231 743 P CA -0.285 62.861 63.100 0.077 0.000 0.790 743 P CB 1.164 32.890 31.700 0.043 0.000 0.951 744 V N 2.584 122.604 119.914 0.176 0.000 2.555 744 V HA 0.110 4.230 4.120 -0.001 0.000 0.286 744 V C 0.566 176.822 176.094 0.271 0.000 1.044 744 V CA -0.132 62.296 62.300 0.214 0.000 1.026 744 V CB 1.115 33.100 31.823 0.270 0.000 0.981 744 V HN 0.270 nan 8.190 nan 0.000 0.480 745 V N 6.271 126.285 119.914 0.166 0.000 2.487 745 V HA 0.462 4.581 4.120 -0.001 0.000 0.298 745 V C -0.454 175.666 176.094 0.043 0.000 1.028 745 V CA -0.622 61.753 62.300 0.126 0.000 0.860 745 V CB 1.718 33.569 31.823 0.048 0.000 0.991 745 V HN 0.673 nan 8.190 nan 0.000 0.427 746 L N 6.736 127.985 121.223 0.044 0.000 2.305 746 L HA 0.705 5.045 4.340 -0.001 0.000 0.284 746 L C -0.593 176.164 176.870 -0.189 0.000 1.013 746 L CA 0.011 54.745 54.840 -0.177 0.000 0.819 746 L CB 1.701 43.550 42.059 -0.351 0.000 1.227 746 L HN 0.442 nan 8.230 nan 0.000 0.417 747 V N 4.164 123.953 119.914 -0.208 0.000 2.370 747 V HA 0.524 4.643 4.120 -0.001 0.000 0.283 747 V C 0.087 176.104 176.094 -0.128 0.000 1.023 747 V CA -0.396 61.804 62.300 -0.167 0.000 0.857 747 V CB 1.427 33.169 31.823 -0.135 0.000 0.985 747 V HN 0.836 nan 8.190 nan 0.000 0.443 748 T N 5.423 119.931 114.554 -0.078 0.000 2.779 748 T HA 0.433 4.782 4.350 -0.001 0.000 0.280 748 T C -0.349 174.377 174.700 0.043 0.000 0.987 748 T CA -0.553 61.558 62.100 0.017 0.000 0.966 748 T CB 1.094 70.011 68.868 0.083 0.000 0.933 748 T HN 0.654 nan 8.240 nan 0.000 0.442 749 K N 2.428 122.871 120.400 0.072 0.000 2.450 749 K HA 0.665 4.985 4.320 -0.001 0.000 0.257 749 K C -0.333 176.327 176.600 0.100 0.000 0.953 749 K CA -0.572 55.759 56.287 0.074 0.000 0.844 749 K CB 0.936 33.471 32.500 0.059 0.000 1.103 749 K HN 0.789 nan 8.250 nan 0.000 0.429 750 G N 2.249 111.106 108.800 0.095 0.000 2.658 750 G HA2 0.170 4.129 3.960 -0.001 0.000 0.292 750 G HA3 0.170 4.129 3.960 -0.001 0.000 0.292 750 G C -0.171 174.776 174.900 0.078 0.000 1.320 750 G CA -0.637 44.521 45.100 0.097 0.000 0.933 750 G HN 0.620 nan 8.290 nan 0.000 0.476 751 K N -0.267 120.175 120.400 0.071 0.000 2.097 751 K HA 0.128 4.448 4.320 -0.001 0.000 0.205 751 K C 1.884 178.522 176.600 0.062 0.000 1.050 751 K CA 1.318 57.642 56.287 0.062 0.000 0.938 751 K CB -0.200 32.334 32.500 0.056 0.000 0.718 751 K HN 0.415 nan 8.250 nan 0.000 0.442 752 L N -0.934 120.327 121.223 0.064 0.000 2.357 752 L HA 0.234 4.573 4.340 -0.001 0.000 0.211 752 L C 0.484 177.390 176.870 0.060 0.000 1.075 752 L CA 0.082 54.959 54.840 0.062 0.000 0.830 752 L CB 0.283 42.381 42.059 0.066 0.000 0.996 752 L HN 0.175 nan 8.230 nan 0.000 0.467 753 E N -0.291 119.949 120.200 0.067 0.000 2.304 753 E HA 0.390 4.740 4.350 -0.001 0.000 0.277 753 E C -1.482 175.164 176.600 0.077 0.000 0.898 753 E CA -0.209 56.231 56.400 0.068 0.000 0.764 753 E CB 2.192 31.931 29.700 0.064 0.000 1.216 753 E HN -0.110 nan 8.360 nan 0.000 0.419 754 S N 1.194 116.938 115.700 0.073 0.000 2.634 754 S HA 0.780 5.249 4.470 -0.001 0.000 0.296 754 S C -1.201 173.429 174.600 0.050 0.000 1.104 754 S CA -0.727 57.513 58.200 0.066 0.000 0.920 754 S CB 1.778 65.019 63.200 0.067 0.000 1.111 754 S HN 0.609 nan 8.310 nan 0.000 0.493 755 S N -0.265 115.441 115.700 0.011 0.000 2.565 755 S HA 0.736 5.205 4.470 -0.001 0.000 0.269 755 S C -1.670 172.845 174.600 -0.141 0.000 1.153 755 S CA -0.752 57.429 58.200 -0.030 0.000 0.835 755 S CB 1.064 64.266 63.200 0.002 0.000 1.122 755 S HN 0.456 nan 8.310 nan 0.000 0.462 756 V N 1.950 121.715 119.914 -0.248 0.000 2.444 756 V HA 0.708 4.827 4.120 -0.001 0.000 0.294 756 V C -0.482 175.479 176.094 -0.222 0.000 1.022 756 V CA -0.414 61.662 62.300 -0.373 0.000 0.850 756 V CB 1.486 32.744 31.823 -0.941 0.000 0.992 756 V HN 0.977 nan 8.190 nan 0.000 0.426 757 S N 3.415 119.043 115.700 -0.119 0.000 2.500 757 S HA 0.754 5.223 4.470 -0.001 0.000 0.301 757 S C -0.758 173.782 174.600 -0.101 0.000 1.092 757 S CA -0.611 57.531 58.200 -0.097 0.000 1.030 757 S CB 2.089 65.333 63.200 0.073 0.000 1.031 757 S HN 0.631 nan 8.310 nan 0.000 0.483 758 V N 2.445 122.162 119.914 -0.328 0.000 2.638 758 V HA 0.779 4.899 4.120 -0.001 0.000 0.306 758 V C 0.122 175.809 176.094 -0.678 0.000 1.052 758 V CA -0.460 61.647 62.300 -0.322 0.000 0.885 758 V CB 1.655 33.441 31.823 -0.061 0.000 0.999 758 V HN 0.995 nan 8.190 nan 0.000 0.424 759 G N 7.287 115.678 108.800 -0.682 0.000 2.621 759 G HA2 0.482 4.442 3.960 -0.001 0.000 0.306 759 G HA3 0.482 4.442 3.960 -0.001 0.000 0.306 759 G C -0.427 174.344 174.900 -0.214 0.000 0.893 759 G CA -0.274 44.533 45.100 -0.488 0.000 1.486 759 G HN 0.697 nan 8.290 nan 0.000 0.477 760 L N 2.907 123.956 121.223 -0.289 0.000 2.399 760 L HA 0.367 4.706 4.340 -0.001 0.000 0.265 760 L C -1.974 174.762 176.870 -0.222 0.000 1.089 760 L CA -2.298 52.396 54.840 -0.242 0.000 0.802 760 L CB 1.731 43.571 42.059 -0.365 0.000 1.180 760 L HN 0.211 nan 8.230 nan 0.000 0.454 761 P HA 0.063 nan 4.420 nan 0.000 0.262 761 P C 0.085 177.275 177.300 -0.184 0.000 1.199 761 P CA 0.443 63.448 63.100 -0.158 0.000 0.763 761 P CB 0.918 32.555 31.700 -0.106 0.000 0.790 762 S N -0.096 115.500 115.700 -0.173 0.000 2.691 762 S HA -0.112 4.358 4.470 -0.001 0.000 0.262 762 S C 0.208 174.694 174.600 -0.190 0.000 1.284 762 S CA 1.246 59.357 58.200 -0.148 0.000 1.372 762 S CB -1.449 61.691 63.200 -0.100 0.000 1.693 762 S HN 0.400 nan 8.310 nan 0.000 0.647 763 V N 1.488 121.230 119.914 -0.288 0.000 2.655 763 V HA 0.439 4.558 4.120 -0.001 0.000 0.301 763 V C -0.281 175.578 176.094 -0.393 0.000 1.082 763 V CA -0.787 61.297 62.300 -0.360 0.000 0.899 763 V CB 2.076 33.516 31.823 -0.639 0.000 1.014 763 V HN 0.122 nan 8.190 nan 0.000 0.429 764 V N 4.143 123.842 119.914 -0.360 0.000 2.368 764 V HA 0.318 4.438 4.120 -0.001 0.000 0.266 764 V C -0.124 175.754 176.094 -0.360 0.000 1.045 764 V CA -0.339 61.652 62.300 -0.515 0.000 0.899 764 V CB 0.627 32.056 31.823 -0.657 0.000 1.006 764 V HN 0.933 nan 8.190 nan 0.000 0.470 765 H N 4.737 123.541 119.070 -0.443 0.000 2.488 765 H HA 0.633 5.189 4.556 -0.001 0.000 0.322 765 H C -0.438 174.766 175.328 -0.206 0.000 1.078 765 H CA -0.354 55.536 56.048 -0.262 0.000 1.260 765 H CB 1.135 30.764 29.762 -0.222 0.000 1.425 765 H HN 0.693 nan 8.280 nan 0.000 0.471 766 Q N 3.323 122.804 119.800 -0.533 0.000 2.323 766 Q HA 0.395 4.735 4.340 -0.001 0.000 0.271 766 Q C -1.088 174.704 176.000 -0.347 0.000 1.048 766 Q CA -0.969 54.620 55.803 -0.357 0.000 0.792 766 Q CB 2.486 31.120 28.738 -0.173 0.000 1.280 766 Q HN 0.613 nan 8.270 nan 0.000 0.441 767 T N 3.023 117.465 114.554 -0.187 0.000 2.772 767 T HA 0.579 4.929 4.350 -0.001 0.000 0.288 767 T C -0.342 174.393 174.700 0.058 0.000 0.994 767 T CA -0.404 61.708 62.100 0.019 0.000 0.951 767 T CB 0.264 69.322 68.868 0.316 0.000 0.933 767 T HN 0.372 nan 8.240 nan 0.000 0.447 768 I N 3.631 124.243 120.570 0.071 0.000 2.441 768 I HA 0.510 4.679 4.170 -0.001 0.000 0.295 768 I C -0.268 175.905 176.117 0.094 0.000 0.994 768 I CA -0.815 60.526 61.300 0.067 0.000 1.144 768 I CB 1.768 39.795 38.000 0.045 0.000 1.314 768 I HN 0.387 nan 8.210 nan 0.000 0.445 769 M N 5.700 125.355 119.600 0.092 0.000 2.253 769 M HA 0.471 4.951 4.480 -0.001 0.000 0.314 769 M C 0.249 176.592 176.300 0.072 0.000 1.019 769 M CA -0.233 55.124 55.300 0.095 0.000 0.932 769 M CB 2.177 34.850 32.600 0.121 0.000 1.606 769 M HN 0.450 nan 8.290 nan 0.000 0.430 770 R N 1.171 121.707 120.500 0.060 0.000 2.535 770 R HA 0.355 4.694 4.340 -0.001 0.000 0.323 770 R C 0.745 177.073 176.300 0.047 0.000 0.979 770 R CA 0.262 56.391 56.100 0.048 0.000 1.120 770 R CB 1.095 31.416 30.300 0.034 0.000 1.306 770 R HN 1.133 nan 8.270 nan 0.000 0.540 771 G N -0.252 108.579 108.800 0.051 0.000 2.184 771 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.206 771 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.206 771 G C 0.235 175.156 174.900 0.036 0.000 0.995 771 G CA -0.311 44.816 45.100 0.044 0.000 0.651 771 G HN 0.536 nan 8.290 nan 0.000 0.511 772 G N -0.268 108.554 108.800 0.037 0.000 3.259 772 G HA2 0.792 4.751 3.960 -0.001 0.000 0.178 772 G HA3 0.792 4.751 3.960 -0.001 0.000 0.178 772 G C 0.427 175.347 174.900 0.034 0.000 1.129 772 G CA 0.484 45.601 45.100 0.029 0.000 0.816 772 G HN 1.583 nan 8.290 nan 0.000 0.634 773 A N 1.703 124.540 122.820 0.029 0.000 2.548 773 A HA 0.513 4.832 4.320 -0.001 0.000 0.247 773 A C -1.822 175.799 177.584 0.060 0.000 1.067 773 A CA -0.433 51.626 52.037 0.037 0.000 0.757 773 A CB -0.521 18.498 19.000 0.032 0.000 0.996 773 A HN 0.348 nan 8.150 nan 0.000 0.504 774 P HA 0.106 nan 4.420 nan 0.000 0.270 774 P C -0.361 177.008 177.300 0.115 0.000 1.223 774 P CA -0.102 63.063 63.100 0.108 0.000 0.785 774 P CB 0.605 32.390 31.700 0.143 0.000 0.923 775 E N 1.445 121.710 120.200 0.108 0.000 2.191 775 E HA 0.392 4.741 4.350 -0.001 0.000 0.278 775 E C -0.841 175.830 176.600 0.119 0.000 0.972 775 E CA -0.704 55.762 56.400 0.110 0.000 0.804 775 E CB 0.592 30.334 29.700 0.069 0.000 1.110 775 E HN 0.199 nan 8.360 nan 0.000 0.394 776 I N 4.060 124.732 120.570 0.170 0.000 2.404 776 I HA 0.411 4.581 4.170 -0.001 0.000 0.293 776 I C -0.062 176.166 176.117 0.185 0.000 0.992 776 I CA -0.619 60.756 61.300 0.125 0.000 1.149 776 I CB 1.298 39.378 38.000 0.134 0.000 1.315 776 I HN 0.569 nan 8.210 nan 0.000 0.446 777 R N 4.634 125.169 120.500 0.059 0.000 2.561 777 R HA 0.504 4.844 4.340 -0.001 0.000 0.297 777 R C -0.946 175.393 176.300 0.065 0.000 0.969 777 R CA -0.866 55.287 56.100 0.088 0.000 0.879 777 R CB 2.029 32.341 30.300 0.020 0.000 1.178 777 R HN 0.452 nan 8.270 nan 0.000 0.445 778 N N 2.618 121.425 118.700 0.178 0.000 2.443 778 N HA 0.188 4.928 4.740 -0.001 0.000 0.269 778 N C -1.234 174.293 175.510 0.027 0.000 0.985 778 N CA -0.699 52.433 53.050 0.136 0.000 0.921 778 N CB 1.824 40.502 38.487 0.319 0.000 1.195 778 N HN 0.334 nan 8.380 nan 0.000 0.492 779 L N 3.718 124.898 121.223 -0.071 0.000 2.282 779 L HA 0.364 4.704 4.340 -0.001 0.000 0.287 779 L C -1.013 175.790 176.870 -0.111 0.000 1.075 779 L CA -0.436 54.344 54.840 -0.101 0.000 0.839 779 L CB 0.372 42.361 42.059 -0.116 0.000 1.219 779 L HN 0.210 nan 8.230 nan 0.000 0.434 780 V N 4.596 124.449 119.914 -0.102 0.000 2.350 780 V HA 0.380 4.499 4.120 -0.001 0.000 0.276 780 V C -0.449 175.609 176.094 -0.059 0.000 1.028 780 V CA -0.473 61.785 62.300 -0.071 0.000 0.860 780 V CB 1.259 33.074 31.823 -0.015 0.000 0.990 780 V HN 0.692 nan 8.190 nan 0.000 0.453 781 D N 4.042 124.407 120.400 -0.057 0.000 2.375 781 D HA 0.255 4.895 4.640 -0.001 0.000 0.259 781 D C 0.555 176.838 176.300 -0.029 0.000 1.235 781 D CA -0.421 53.557 54.000 -0.037 0.000 0.924 781 D CB 1.299 42.075 40.800 -0.041 0.000 1.143 781 D HN 0.458 nan 8.370 nan 0.000 0.529 782 I N 2.366 122.934 120.570 -0.002 0.000 3.083 782 I HA 0.031 4.200 4.170 -0.001 0.000 0.273 782 I C 1.406 177.527 176.117 0.006 0.000 1.297 782 I CA 1.116 62.421 61.300 0.009 0.000 1.452 782 I CB -0.287 37.737 38.000 0.040 0.000 1.078 782 I HN 0.625 nan 8.210 nan 0.000 0.484 783 G N 0.824 109.626 108.800 0.003 0.000 2.634 783 G HA2 -0.447 3.512 3.960 -0.001 0.000 0.309 783 G HA3 -0.447 3.512 3.960 -0.001 0.000 0.309 783 G C 0.586 175.496 174.900 0.017 0.000 1.265 783 G CA 0.536 45.641 45.100 0.008 0.000 0.998 783 G HN 0.694 nan 8.290 nan 0.000 0.551 784 S N -0.094 115.617 115.700 0.018 0.000 2.573 784 S HA 0.534 5.004 4.470 -0.001 0.000 0.244 784 S C 0.759 175.373 174.600 0.022 0.000 0.984 784 S CA 0.023 58.237 58.200 0.022 0.000 1.001 784 S CB 0.007 63.222 63.200 0.024 0.000 0.788 784 S HN 0.681 nan 8.310 nan 0.000 0.456 785 L N 2.966 124.202 121.223 0.021 0.000 2.448 785 L HA 0.288 4.627 4.340 -0.001 0.000 0.278 785 L C -0.351 176.539 176.870 0.033 0.000 1.201 785 L CA -0.362 54.492 54.840 0.024 0.000 1.036 785 L CB -0.529 41.542 42.059 0.021 0.000 1.325 785 L HN 0.146 nan 8.230 nan 0.000 0.441 786 D N 2.885 123.304 120.400 0.031 0.000 2.399 786 D HA -0.000 4.639 4.640 -0.001 0.000 0.241 786 D C 0.719 177.043 176.300 0.040 0.000 1.133 786 D CA 0.180 54.201 54.000 0.035 0.000 0.890 786 D CB 0.387 41.204 40.800 0.028 0.000 1.201 786 D HN 0.321 nan 8.370 nan 0.000 0.432 787 N N 0.353 119.081 118.700 0.047 0.000 2.725 787 N HA -0.171 4.568 4.740 -0.001 0.000 0.251 787 N C -0.924 174.630 175.510 0.074 0.000 1.031 787 N CA 0.854 53.938 53.050 0.056 0.000 0.720 787 N CB -1.195 37.317 38.487 0.041 0.000 0.930 787 N HN 0.296 nan 8.380 nan 0.000 0.543 788 T N 0.445 115.048 114.554 0.081 0.000 2.886 788 T HA 0.427 4.777 4.350 -0.001 0.000 0.292 788 T C -0.236 174.533 174.700 0.115 0.000 1.012 788 T CA -0.720 61.438 62.100 0.098 0.000 0.982 788 T CB 2.295 71.206 68.868 0.072 0.000 1.018 788 T HN 0.027 nan 8.240 nan 0.000 0.451 789 E N 2.432 122.730 120.200 0.163 0.000 2.199 789 E HA 0.416 4.765 4.350 -0.001 0.000 0.265 789 E C -0.704 176.012 176.600 0.194 0.000 0.882 789 E CA -0.918 55.576 56.400 0.156 0.000 0.759 789 E CB 1.856 31.627 29.700 0.117 0.000 1.148 789 E HN 0.331 nan 8.360 nan 0.000 0.412 790 I N 3.027 123.695 120.570 0.163 0.000 2.315 790 I HA 0.232 4.402 4.170 -0.001 0.000 0.291 790 I C 0.047 176.296 176.117 0.220 0.000 1.006 790 I CA -0.590 60.819 61.300 0.182 0.000 1.265 790 I CB 1.153 39.249 38.000 0.159 0.000 1.387 790 I HN 0.293 nan 8.210 nan 0.000 0.475 791 V N 8.326 128.372 119.914 0.219 0.000 2.581 791 V HA 0.509 4.629 4.120 -0.001 0.000 0.303 791 V C -0.300 175.828 176.094 0.056 0.000 1.041 791 V CA -0.786 61.627 62.300 0.190 0.000 0.907 791 V CB 2.235 34.227 31.823 0.282 0.000 0.994 791 V HN 0.773 nan 8.190 nan 0.000 0.442 792 M N 7.393 126.951 119.600 -0.070 0.000 2.149 792 M HA 0.567 5.047 4.480 -0.001 0.000 0.342 792 M C -0.577 175.573 176.300 -0.252 0.000 1.068 792 M CA -0.436 54.599 55.300 -0.442 0.000 0.991 792 M CB 0.612 32.920 32.600 -0.487 0.000 1.596 792 M HN 0.747 nan 8.290 nan 0.000 0.439 793 R N 4.618 124.952 120.500 -0.276 0.000 2.637 793 R HA 0.701 5.040 4.340 -0.001 0.000 0.291 793 R C -1.941 174.250 176.300 -0.181 0.000 0.963 793 R CA -0.625 55.377 56.100 -0.164 0.000 0.901 793 R CB 1.475 31.699 30.300 -0.126 0.000 1.160 793 R HN 0.805 nan 8.270 nan 0.000 0.457 794 L N 3.317 124.417 121.223 -0.206 0.000 2.296 794 L HA 0.412 4.752 4.340 -0.001 0.000 0.286 794 L C -0.480 176.268 176.870 -0.204 0.000 1.023 794 L CA -0.382 54.266 54.840 -0.321 0.000 0.812 794 L CB 1.905 43.720 42.059 -0.407 0.000 1.223 794 L HN 0.595 nan 8.230 nan 0.000 0.421 795 E N 2.243 122.336 120.200 -0.179 0.000 2.133 795 E HA 0.499 4.849 4.350 -0.001 0.000 0.274 795 E C -0.520 176.000 176.600 -0.134 0.000 0.930 795 E CA -0.468 55.877 56.400 -0.091 0.000 0.770 795 E CB 1.999 31.694 29.700 -0.007 0.000 1.104 795 E HN 0.621 nan 8.360 nan 0.000 0.403 796 T N -0.838 113.648 114.554 -0.114 0.000 2.804 796 T HA 0.325 4.674 4.350 -0.001 0.000 0.290 796 T C -0.017 174.643 174.700 -0.066 0.000 1.099 796 T CA -0.832 61.155 62.100 -0.188 0.000 1.011 796 T CB 1.158 69.951 68.868 -0.124 0.000 1.291 796 T HN 0.427 nan 8.240 nan 0.000 0.523 797 H N 0.117 119.175 119.070 -0.020 0.000 2.469 797 H HA 0.455 5.010 4.556 -0.001 0.000 0.286 797 H C 0.078 175.404 175.328 -0.004 0.000 1.106 797 H CA -0.894 55.147 56.048 -0.010 0.000 1.055 797 H CB -0.693 29.063 29.762 -0.009 0.000 1.618 797 H HN 0.471 nan 8.280 nan 0.000 0.559 798 I N 1.456 122.073 120.570 0.079 0.000 2.618 798 I HA -0.110 4.059 4.170 -0.001 0.000 0.284 798 I C 0.773 176.931 176.117 0.067 0.000 1.146 798 I CA 0.289 61.623 61.300 0.058 0.000 1.425 798 I CB 0.534 38.558 38.000 0.039 0.000 1.383 798 I HN 0.010 nan 8.210 nan 0.000 0.562 799 D N 4.547 124.983 120.400 0.061 0.000 2.741 799 D HA 0.054 4.693 4.640 -0.001 0.000 0.233 799 D C 1.181 177.520 176.300 0.065 0.000 1.160 799 D CA -0.076 53.957 54.000 0.056 0.000 1.003 799 D CB 0.378 41.205 40.800 0.044 0.000 1.064 799 D HN 0.540 nan 8.370 nan 0.000 0.503 800 S N 0.261 116.006 115.700 0.075 0.000 2.496 800 S HA 0.243 4.712 4.470 -0.001 0.000 0.224 800 S C 1.666 176.317 174.600 0.085 0.000 0.996 800 S CA 0.262 58.520 58.200 0.097 0.000 0.927 800 S CB -0.120 63.150 63.200 0.117 0.000 0.774 800 S HN 0.518 nan 8.310 nan 0.000 0.524 801 G N 3.298 112.138 108.800 0.066 0.000 2.601 801 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.306 801 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.306 801 G C 0.259 175.200 174.900 0.068 0.000 1.172 801 G CA 0.707 45.841 45.100 0.057 0.000 0.966 801 G HN 0.788 nan 8.290 nan 0.000 0.542 802 D N 0.183 120.628 120.400 0.075 0.000 2.440 802 D HA 0.353 4.992 4.640 -0.001 0.000 0.216 802 D C 0.658 177.042 176.300 0.140 0.000 1.150 802 D CA -0.261 53.801 54.000 0.104 0.000 0.832 802 D CB 0.240 41.087 40.800 0.079 0.000 0.992 802 D HN 0.459 nan 8.370 nan 0.000 0.502 803 I N 1.516 122.152 120.570 0.110 0.000 2.437 803 I HA 0.514 4.683 4.170 -0.001 0.000 0.298 803 I C -0.216 175.991 176.117 0.151 0.000 0.984 803 I CA -1.052 60.262 61.300 0.022 0.000 1.214 803 I CB 0.589 38.562 38.000 -0.045 0.000 1.365 803 I HN -0.012 nan 8.210 nan 0.000 0.469 804 F N 4.456 124.229 119.950 -0.296 0.000 2.741 804 F HA 0.678 5.204 4.527 -0.001 0.000 0.313 804 F C -2.114 173.344 175.800 -0.570 0.000 1.153 804 F CA -1.406 56.440 58.000 -0.258 0.000 0.931 804 F CB 1.198 40.117 39.000 -0.135 0.000 1.335 804 F HN 0.192 nan 8.300 nan 0.000 0.460 805 Y N 0.136 120.209 120.300 -0.378 0.000 2.425 805 Y HA 0.696 5.245 4.550 -0.001 0.000 0.344 805 Y C 0.048 175.778 175.900 -0.284 0.000 0.969 805 Y CA -0.656 57.094 58.100 -0.583 0.000 1.052 805 Y CB 2.455 40.183 38.460 -1.221 0.000 1.215 805 Y HN 0.902 nan 8.280 nan 0.000 0.451 806 T N -1.450 113.040 114.554 -0.106 0.000 2.896 806 T HA 0.481 4.831 4.350 -0.001 0.000 0.297 806 T C -1.114 173.417 174.700 -0.282 0.000 1.108 806 T CA -1.082 60.974 62.100 -0.074 0.000 1.004 806 T CB 2.058 70.857 68.868 -0.115 0.000 1.159 806 T HN 0.576 nan 8.240 nan 0.000 0.499 807 D N 1.007 121.083 120.400 -0.540 0.000 2.340 807 D HA 0.374 5.014 4.640 -0.001 0.000 0.251 807 D C -0.613 175.427 176.300 -0.433 0.000 1.080 807 D CA -0.806 52.680 54.000 -0.857 0.000 0.971 807 D CB 1.245 41.255 40.800 -1.316 0.000 1.137 807 D HN 0.558 nan 8.370 nan 0.000 0.475 808 L N 1.005 122.020 121.223 -0.346 0.000 2.294 808 L HA 0.226 4.565 4.340 -0.001 0.000 0.283 808 L C -0.042 176.712 176.870 -0.193 0.000 1.015 808 L CA -0.787 53.939 54.840 -0.190 0.000 0.831 808 L CB 0.445 42.460 42.059 -0.072 0.000 1.217 808 L HN 0.447 nan 8.230 nan 0.000 0.420 809 N N 2.147 120.739 118.700 -0.180 0.000 2.693 809 N HA -0.229 4.510 4.740 -0.001 0.000 0.249 809 N C 0.970 176.262 175.510 -0.363 0.000 1.119 809 N CA 0.886 53.825 53.050 -0.186 0.000 0.717 809 N CB -1.085 37.372 38.487 -0.050 0.000 1.071 809 N HN 1.088 nan 8.380 nan 0.000 0.555 810 G N -1.632 106.955 108.800 -0.355 0.000 2.168 810 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.257 810 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.257 810 G C 0.623 175.494 174.900 -0.049 0.000 0.997 810 G CA 0.701 45.611 45.100 -0.315 0.000 0.708 810 G HN 0.487 nan 8.290 nan 0.000 0.520 811 L N -0.553 120.589 121.223 -0.135 0.000 2.467 811 L HA 0.495 4.835 4.340 -0.001 0.000 0.213 811 L C 0.995 177.754 176.870 -0.185 0.000 1.053 811 L CA 1.960 56.639 54.840 -0.269 0.000 0.847 811 L CB 0.151 41.909 42.059 -0.502 0.000 1.075 811 L HN 0.702 nan 8.230 nan 0.000 0.479 812 Q N -1.769 117.927 119.800 -0.174 0.000 2.522 812 Q HA 0.349 4.688 4.340 -0.001 0.000 0.285 812 Q C -1.706 174.191 176.000 -0.172 0.000 0.982 812 Q CA -0.730 55.038 55.803 -0.058 0.000 0.805 812 Q CB 1.106 29.873 28.738 0.048 0.000 1.457 812 Q HN -0.037 nan 8.270 nan 0.000 0.394 813 F N 1.395 121.316 119.950 -0.049 0.000 2.427 813 F HA 0.576 5.102 4.527 -0.001 0.000 0.346 813 F C -0.175 175.603 175.800 -0.038 0.000 1.120 813 F CA -0.808 57.174 58.000 -0.030 0.000 1.033 813 F CB 1.614 40.641 39.000 0.043 0.000 1.126 813 F HN 0.522 nan 8.300 nan 0.000 0.462 814 I N 4.023 124.614 120.570 0.036 0.000 2.441 814 I HA 0.324 4.493 4.170 -0.001 0.000 0.295 814 I C -0.392 175.597 176.117 -0.214 0.000 0.994 814 I CA -0.886 60.379 61.300 -0.059 0.000 1.144 814 I CB 1.191 39.105 38.000 -0.142 0.000 1.314 814 I HN 0.500 nan 8.210 nan 0.000 0.445 815 K N 6.768 126.996 120.400 -0.288 0.000 2.416 815 K HA 0.224 4.544 4.320 -0.001 0.000 0.283 815 K C -0.808 175.338 176.600 -0.756 0.000 1.037 815 K CA -0.346 55.487 56.287 -0.757 0.000 0.995 815 K CB 0.476 32.669 32.500 -0.511 0.000 0.938 815 K HN 0.489 nan 8.250 nan 0.000 0.475 816 R N 3.268 123.132 120.500 -1.060 0.000 2.664 816 R HA 0.341 4.681 4.340 -0.001 0.000 0.286 816 R C -0.456 175.328 176.300 -0.860 0.000 0.967 816 R CA -0.749 54.645 56.100 -1.177 0.000 0.933 816 R CB 1.494 30.526 30.300 -2.114 0.000 1.146 816 R HN 0.664 nan 8.270 nan 0.000 0.468 817 R N 1.687 121.906 120.500 -0.467 0.000 2.476 817 R HA 0.289 4.629 4.340 -0.001 0.000 0.305 817 R C -0.458 175.880 176.300 0.064 0.000 0.965 817 R CA -0.680 55.326 56.100 -0.156 0.000 0.867 817 R CB 1.487 31.737 30.300 -0.084 0.000 1.176 817 R HN 0.580 nan 8.270 nan 0.000 0.447 818 R N 4.844 125.496 120.500 0.253 0.000 2.570 818 R HA 0.103 4.442 4.340 -0.001 0.000 0.277 818 R C -1.022 175.366 176.300 0.146 0.000 1.039 818 R CA 0.267 56.548 56.100 0.302 0.000 1.065 818 R CB 0.409 30.867 30.300 0.262 0.000 0.964 818 R HN 0.547 nan 8.270 nan 0.000 0.428 819 L N 4.908 126.196 121.223 0.108 0.000 2.342 819 L HA 0.231 4.570 4.340 -0.001 0.000 0.276 819 L C 0.049 176.912 176.870 -0.010 0.000 0.997 819 L CA -0.741 54.116 54.840 0.028 0.000 0.838 819 L CB 2.013 44.059 42.059 -0.022 0.000 1.224 819 L HN 0.688 nan 8.230 nan 0.000 0.416 820 D N 1.591 121.992 120.400 0.001 0.000 2.348 820 D HA -0.120 4.520 4.640 -0.001 0.000 0.216 820 D C 1.740 178.024 176.300 -0.028 0.000 0.970 820 D CA 0.810 54.805 54.000 -0.008 0.000 0.889 820 D CB 0.350 41.155 40.800 0.008 0.000 0.912 820 D HN 0.562 nan 8.370 nan 0.000 0.524 821 K N 0.357 120.733 120.400 -0.041 0.000 2.439 821 K HA -0.012 4.307 4.320 -0.001 0.000 0.197 821 K C 0.686 177.229 176.600 -0.094 0.000 1.041 821 K CA 0.399 56.659 56.287 -0.045 0.000 0.970 821 K CB 0.230 32.717 32.500 -0.022 0.000 0.773 821 K HN 0.115 nan 8.250 nan 0.000 0.479 822 L N 2.495 123.623 121.223 -0.158 0.000 2.334 822 L HA 0.442 4.781 4.340 -0.001 0.000 0.272 822 L C -2.223 174.544 176.870 -0.172 0.000 1.020 822 L CA -2.910 51.797 54.840 -0.221 0.000 0.812 822 L CB 1.288 43.119 42.059 -0.380 0.000 1.264 822 L HN -0.042 nan 8.230 nan 0.000 0.439 823 P HA 0.026 nan 4.420 nan 0.000 0.272 823 P C 0.877 178.050 177.300 -0.210 0.000 1.240 823 P CA -0.378 62.624 63.100 -0.162 0.000 0.791 823 P CB 1.241 32.865 31.700 -0.126 0.000 0.978 824 L N 1.024 122.154 121.223 -0.154 0.000 2.010 824 L HA -0.301 4.038 4.340 -0.001 0.000 0.219 824 L C 2.533 179.320 176.870 -0.137 0.000 1.077 824 L CA 2.053 56.827 54.840 -0.111 0.000 0.773 824 L CB -0.646 41.342 42.059 -0.119 0.000 0.892 824 L HN 0.443 nan 8.230 nan 0.000 0.436 825 Q N -0.386 119.222 119.800 -0.320 0.000 2.291 825 Q HA -0.170 4.169 4.340 -0.001 0.000 0.205 825 Q C 1.945 177.850 176.000 -0.157 0.000 0.970 825 Q CA 1.524 57.171 55.803 -0.259 0.000 0.876 825 Q CB -0.587 27.920 28.738 -0.385 0.000 0.935 825 Q HN 0.615 nan 8.270 nan 0.000 0.455 826 A N 1.710 124.216 122.820 -0.523 0.000 2.014 826 A HA -0.079 4.240 4.320 -0.001 0.000 0.218 826 A C 1.713 179.127 177.584 -0.285 0.000 1.163 826 A CA 0.991 52.575 52.037 -0.755 0.000 0.652 826 A CB -0.274 17.907 19.000 -1.366 0.000 0.808 826 A HN 0.373 nan 8.150 nan 0.000 0.449 827 N N -1.205 117.437 118.700 -0.097 0.000 2.398 827 N HA 0.034 4.773 4.740 -0.001 0.000 0.188 827 N C -0.772 174.844 175.510 0.176 0.000 1.122 827 N CA 0.202 53.313 53.050 0.102 0.000 0.866 827 N CB 0.006 38.600 38.487 0.177 0.000 0.970 827 N HN 0.461 nan 8.380 nan 0.000 0.462 828 Y N 0.383 120.657 120.300 -0.044 0.000 2.319 828 Y HA 0.148 4.697 4.550 -0.001 0.000 0.328 828 Y C -0.073 175.784 175.900 -0.072 0.000 1.133 828 Y CA -0.016 58.134 58.100 0.083 0.000 1.265 828 Y CB 0.285 38.863 38.460 0.196 0.000 1.218 828 Y HN -0.061 nan 8.280 nan 0.000 0.508 829 Y N 3.353 123.799 120.300 0.243 0.000 2.602 829 Y HA 0.449 4.999 4.550 -0.001 0.000 0.342 829 Y C -2.242 173.366 175.900 -0.486 0.000 1.029 829 Y CA -2.976 55.122 58.100 -0.003 0.000 1.080 829 Y CB 1.362 39.812 38.460 -0.016 0.000 1.284 829 Y HN 0.446 nan 8.280 nan 0.000 0.485 830 P HA 0.083 nan 4.420 nan 0.000 0.268 830 P C -0.611 176.454 177.300 -0.392 0.000 1.204 830 P CA 0.336 62.855 63.100 -0.969 0.000 0.768 830 P CB 0.439 31.488 31.700 -1.085 0.000 0.842 831 I N 5.546 125.969 120.570 -0.245 0.000 2.692 831 I HA 0.162 4.332 4.170 -0.001 0.000 0.285 831 I C -1.609 174.442 176.117 -0.111 0.000 1.191 831 I CA -2.505 58.719 61.300 -0.126 0.000 1.128 831 I CB 0.529 38.512 38.000 -0.028 0.000 1.585 831 I HN 0.210 nan 8.210 nan 0.000 0.558 832 P HA -0.078 nan 4.420 nan 0.000 0.221 832 P C 1.064 178.333 177.300 -0.052 0.000 1.150 832 P CA 1.252 64.281 63.100 -0.118 0.000 0.800 832 P CB 0.584 32.184 31.700 -0.165 0.000 0.787 833 S N -3.537 112.136 115.700 -0.046 0.000 2.483 833 S HA 0.423 4.892 4.470 -0.001 0.000 0.280 833 S C 0.493 175.175 174.600 0.137 0.000 1.059 833 S CA 0.343 58.569 58.200 0.043 0.000 1.359 833 S CB 0.211 63.455 63.200 0.074 0.000 1.171 833 S HN 0.326 nan 8.310 nan 0.000 0.625 834 G N 1.638 110.524 108.800 0.143 0.000 2.489 834 G HA2 0.559 4.519 3.960 -0.001 0.000 0.291 834 G HA3 0.559 4.519 3.960 -0.001 0.000 0.291 834 G C -1.433 173.714 174.900 0.412 0.000 1.487 834 G CA -0.440 44.872 45.100 0.353 0.000 0.795 834 G HN 0.902 nan 8.290 nan 0.000 0.513 835 M N -0.382 119.474 119.600 0.427 0.000 2.520 835 M HA 0.890 5.370 4.480 -0.001 0.000 0.280 835 M C -1.717 174.809 176.300 0.376 0.000 1.232 835 M CA -1.030 54.481 55.300 0.350 0.000 0.892 835 M CB 2.544 35.263 32.600 0.199 0.000 1.728 835 M HN 1.080 nan 8.290 nan 0.000 0.475 836 F N 1.251 121.343 119.950 0.236 0.000 2.645 836 F HA 0.913 5.439 4.527 -0.001 0.000 0.310 836 F C -1.675 174.256 175.800 0.219 0.000 1.102 836 F CA -1.193 56.887 58.000 0.133 0.000 0.952 836 F CB 1.218 40.206 39.000 -0.019 0.000 1.326 836 F HN 0.782 nan 8.300 nan 0.000 0.456 837 I N -0.037 120.754 120.570 0.369 0.000 2.785 837 I HA 0.876 5.045 4.170 -0.001 0.000 0.302 837 I C -1.428 174.865 176.117 0.294 0.000 1.069 837 I CA -0.880 60.608 61.300 0.313 0.000 1.045 837 I CB 2.416 40.520 38.000 0.174 0.000 1.236 837 I HN 0.949 nan 8.210 nan 0.000 0.429 838 E N 2.126 122.484 120.200 0.264 0.000 2.412 838 E HA 0.513 4.862 4.350 -0.001 0.000 0.279 838 E C -1.995 174.683 176.600 0.131 0.000 0.984 838 E CA -0.823 55.676 56.400 0.166 0.000 0.788 838 E CB 2.244 32.032 29.700 0.147 0.000 1.277 838 E HN 0.736 nan 8.360 nan 0.000 0.455 839 D N 1.077 121.524 120.400 0.079 0.000 2.636 839 D HA 0.438 5.077 4.640 -0.001 0.000 0.236 839 D C 1.026 177.353 176.300 0.046 0.000 1.176 839 D CA -0.127 53.914 54.000 0.067 0.000 1.081 839 D CB -0.284 40.548 40.800 0.054 0.000 1.213 839 D HN 0.440 nan 8.370 nan 0.000 0.633 840 A N -0.832 122.008 122.820 0.034 0.000 1.972 840 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 840 A C 1.571 179.158 177.584 0.005 0.000 1.169 840 A CA 1.506 53.555 52.037 0.021 0.000 0.635 840 A CB -0.693 18.318 19.000 0.018 0.000 0.810 840 A HN 0.493 nan 8.150 nan 0.000 0.446 841 N N -1.815 116.887 118.700 0.003 0.000 2.445 841 N HA 0.074 4.814 4.740 -0.001 0.000 0.204 841 N C -0.446 175.052 175.510 -0.020 0.000 1.098 841 N CA 0.762 53.806 53.050 -0.009 0.000 0.859 841 N CB 0.659 39.142 38.487 -0.005 0.000 1.249 841 N HN 0.292 nan 8.380 nan 0.000 0.462 842 T N 0.652 115.199 114.554 -0.012 0.000 2.893 842 T HA 0.449 4.798 4.350 -0.001 0.000 0.293 842 T C -0.572 174.119 174.700 -0.016 0.000 1.027 842 T CA -0.640 61.447 62.100 -0.021 0.000 0.988 842 T CB 2.832 71.692 68.868 -0.014 0.000 1.043 842 T HN -0.040 nan 8.240 nan 0.000 0.461 843 R N 2.027 122.502 120.500 -0.042 0.000 2.686 843 R HA 0.729 5.069 4.340 -0.001 0.000 0.286 843 R C -1.883 174.394 176.300 -0.038 0.000 0.969 843 R CA -0.913 55.165 56.100 -0.037 0.000 0.898 843 R CB 1.286 31.505 30.300 -0.135 0.000 1.183 843 R HN 0.456 nan 8.270 nan 0.000 0.456 844 L N 2.596 123.825 121.223 0.010 0.000 2.325 844 L HA 0.490 4.829 4.340 -0.001 0.000 0.281 844 L C -1.270 175.638 176.870 0.064 0.000 1.004 844 L CA 0.091 54.931 54.840 -0.001 0.000 0.823 844 L CB 2.229 44.273 42.059 -0.025 0.000 1.236 844 L HN 0.631 nan 8.230 nan 0.000 0.415 845 T N 5.812 120.385 114.554 0.031 0.000 2.792 845 T HA 0.536 4.886 4.350 -0.001 0.000 0.280 845 T C -0.973 173.791 174.700 0.106 0.000 0.990 845 T CA -0.251 61.908 62.100 0.098 0.000 0.960 845 T CB 1.282 70.138 68.868 -0.021 0.000 0.939 845 T HN 0.455 nan 8.240 nan 0.000 0.439 846 L N 5.321 126.641 121.223 0.162 0.000 2.298 846 L HA 0.540 4.880 4.340 -0.001 0.000 0.284 846 L C -1.278 175.736 176.870 0.240 0.000 1.013 846 L CA -0.685 54.261 54.840 0.177 0.000 0.824 846 L CB 0.483 42.626 42.059 0.139 0.000 1.221 846 L HN 0.400 nan 8.230 nan 0.000 0.418 847 L N 3.893 125.260 121.223 0.240 0.000 2.334 847 L HA 0.651 4.990 4.340 -0.001 0.000 0.275 847 L C 0.503 177.516 176.870 0.238 0.000 1.036 847 L CA -0.271 54.707 54.840 0.229 0.000 0.807 847 L CB 1.463 43.622 42.059 0.167 0.000 1.231 847 L HN 0.767 nan 8.230 nan 0.000 0.438 848 T N -2.379 112.265 114.554 0.150 0.000 2.908 848 T HA 0.615 4.964 4.350 -0.001 0.000 0.290 848 T C 0.684 175.336 174.700 -0.079 0.000 1.034 848 T CA -0.286 61.811 62.100 -0.004 0.000 1.010 848 T CB 1.920 70.796 68.868 0.014 0.000 1.068 848 T HN 0.674 nan 8.240 nan 0.000 0.481 849 G N 1.175 109.853 108.800 -0.203 0.000 3.284 849 G HA2 0.410 4.369 3.960 -0.001 0.000 0.236 849 G HA3 0.410 4.369 3.960 -0.001 0.000 0.236 849 G C 0.192 175.025 174.900 -0.110 0.000 1.158 849 G CA -0.279 44.738 45.100 -0.138 0.000 0.774 849 G HN 0.973 nan 8.290 nan 0.000 0.545 850 Q N -0.232 119.500 119.800 -0.113 0.000 2.479 850 Q HA 0.291 4.631 4.340 -0.001 0.000 0.276 850 Q C -3.546 172.420 176.000 -0.056 0.000 0.989 850 Q CA -2.218 53.547 55.803 -0.063 0.000 0.864 850 Q CB 1.844 30.564 28.738 -0.029 0.000 1.444 850 Q HN -0.010 nan 8.270 nan 0.000 0.388 851 P HA 0.452 nan 4.420 nan 0.000 0.281 851 P C -0.695 176.597 177.300 -0.014 0.000 1.252 851 P CA -0.147 62.939 63.100 -0.023 0.000 0.778 851 P CB 0.946 32.638 31.700 -0.014 0.000 0.895 852 L N 1.769 122.979 121.223 -0.021 0.000 2.403 852 L HA 0.687 5.026 4.340 -0.001 0.000 0.253 852 L C 0.815 177.708 176.870 0.039 0.000 1.045 852 L CA -1.171 53.679 54.840 0.017 0.000 0.845 852 L CB 2.093 44.146 42.059 -0.009 0.000 1.447 852 L HN 0.333 nan 8.230 nan 0.000 0.411 853 G N -0.890 107.991 108.800 0.134 0.000 2.420 853 G HA2 0.647 4.606 3.960 -0.001 0.000 0.284 853 G HA3 0.647 4.606 3.960 -0.001 0.000 0.284 853 G C -0.461 174.482 174.900 0.072 0.000 1.177 853 G CA 0.117 45.358 45.100 0.235 0.000 0.841 853 G HN 0.850 nan 8.290 nan 0.000 0.527 854 G N -1.338 107.322 108.800 -0.233 0.000 2.600 854 G HA2 0.694 4.654 3.960 -0.001 0.000 0.293 854 G HA3 0.694 4.654 3.960 -0.001 0.000 0.293 854 G C -1.200 173.242 174.900 -0.763 0.000 1.408 854 G CA 0.317 45.078 45.100 -0.565 0.000 0.782 854 G HN 1.237 nan 8.290 nan 0.000 0.482 855 S N -1.911 113.406 115.700 -0.638 0.000 2.655 855 S HA 0.705 5.174 4.470 -0.001 0.000 0.266 855 S C -1.577 172.558 174.600 -0.774 0.000 1.149 855 S CA 0.265 58.078 58.200 -0.646 0.000 0.818 855 S CB 1.331 64.218 63.200 -0.522 0.000 1.130 855 S HN 1.516 nan 8.310 nan 0.000 0.476 856 S N 1.712 116.653 115.700 -1.265 0.000 2.718 856 S HA 0.505 4.974 4.470 -0.001 0.000 0.294 856 S C 0.120 174.450 174.600 -0.450 0.000 1.157 856 S CA -0.647 57.093 58.200 -0.766 0.000 1.121 856 S CB 0.098 62.820 63.200 -0.796 0.000 1.015 856 S HN 0.587 nan 8.310 nan 0.000 0.479 857 L N 3.220 124.325 121.223 -0.197 0.000 2.567 857 L HA 0.508 4.847 4.340 -0.001 0.000 0.225 857 L C 0.816 177.675 176.870 -0.019 0.000 1.119 857 L CA 0.221 55.029 54.840 -0.053 0.000 0.871 857 L CB 0.109 42.197 42.059 0.049 0.000 1.036 857 L HN 0.715 nan 8.230 nan 0.000 0.459 858 A N -1.094 121.703 122.820 -0.038 0.000 2.589 858 A HA 0.442 4.761 4.320 -0.001 0.000 0.296 858 A C -0.399 177.181 177.584 -0.007 0.000 1.062 858 A CA -0.435 51.598 52.037 -0.006 0.000 0.686 858 A CB 1.259 20.262 19.000 0.005 0.000 1.282 858 A HN -0.121 nan 8.150 nan 0.000 0.404 859 S N 0.190 115.900 115.700 0.017 0.000 2.573 859 S HA 0.389 4.859 4.470 -0.001 0.000 0.297 859 S C 1.539 176.157 174.600 0.030 0.000 1.280 859 S CA 1.920 60.138 58.200 0.030 0.000 1.061 859 S CB -0.062 63.161 63.200 0.038 0.000 0.812 859 S HN 2.678 nan 8.310 nan 0.000 0.500 860 G N 3.330 112.150 108.800 0.033 0.000 2.179 860 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.260 860 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.260 860 G C -0.155 174.737 174.900 -0.012 0.000 0.977 860 G CA 0.486 45.603 45.100 0.029 0.000 0.641 860 G HN 0.733 nan 8.290 nan 0.000 0.533 861 E N -0.512 119.666 120.200 -0.036 0.000 2.212 861 E HA 0.766 5.116 4.350 -0.001 0.000 0.270 861 E C -0.175 176.357 176.600 -0.114 0.000 0.956 861 E CA -0.715 55.639 56.400 -0.076 0.000 0.825 861 E CB 1.731 31.387 29.700 -0.074 0.000 1.167 861 E HN 0.241 nan 8.360 nan 0.000 0.400 862 L N 1.814 122.963 121.223 -0.124 0.000 2.401 862 L HA 0.463 4.802 4.340 -0.001 0.000 0.266 862 L C -0.585 176.206 176.870 -0.131 0.000 0.991 862 L CA -0.612 54.145 54.840 -0.137 0.000 0.818 862 L CB 1.994 44.002 42.059 -0.084 0.000 1.321 862 L HN 0.662 nan 8.230 nan 0.000 0.413 863 E N 3.107 123.220 120.200 -0.144 0.000 2.383 863 E HA 0.726 5.075 4.350 -0.001 0.000 0.275 863 E C -1.535 175.011 176.600 -0.091 0.000 0.918 863 E CA -0.855 55.493 56.400 -0.088 0.000 0.764 863 E CB 3.421 33.115 29.700 -0.009 0.000 1.252 863 E HN 0.533 nan 8.360 nan 0.000 0.449 864 I N 2.002 122.559 120.570 -0.021 0.000 2.644 864 I HA 0.305 4.475 4.170 -0.001 0.000 0.291 864 I C -1.500 174.678 176.117 0.101 0.000 1.180 864 I CA -1.085 60.227 61.300 0.019 0.000 1.040 864 I CB 1.992 40.008 38.000 0.026 0.000 1.255 864 I HN 0.775 nan 8.210 nan 0.000 0.422 865 M N 6.245 125.941 119.600 0.161 0.000 2.217 865 M HA 0.229 4.709 4.480 -0.001 0.000 0.354 865 M C 0.621 177.015 176.300 0.157 0.000 1.225 865 M CA 0.544 55.944 55.300 0.168 0.000 1.137 865 M CB 0.971 33.640 32.600 0.116 0.000 1.576 865 M HN 0.570 nan 8.290 nan 0.000 0.461 866 Q N 1.478 121.407 119.800 0.215 0.000 2.200 866 Q HA 0.234 4.573 4.340 -0.001 0.000 0.197 866 Q C -0.211 176.001 176.000 0.352 0.000 0.953 866 Q CA 0.921 56.921 55.803 0.328 0.000 0.851 866 Q CB 0.282 29.245 28.738 0.374 0.000 0.938 866 Q HN 0.764 nan 8.270 nan 0.000 0.488 867 D N -1.065 119.472 120.400 0.228 0.000 2.671 867 D HA 0.285 4.924 4.640 -0.001 0.000 0.273 867 D C -1.450 174.922 176.300 0.121 0.000 1.264 867 D CA -0.495 53.615 54.000 0.184 0.000 0.788 867 D CB 1.416 42.318 40.800 0.169 0.000 1.324 867 D HN 0.054 nan 8.370 nan 0.000 0.424 868 R N 0.832 121.392 120.500 0.101 0.000 2.584 868 R HA 0.684 5.024 4.340 -0.001 0.000 0.276 868 R C -1.102 175.245 176.300 0.078 0.000 1.046 868 R CA -1.046 55.098 56.100 0.073 0.000 0.906 868 R CB 2.073 32.389 30.300 0.026 0.000 1.215 868 R HN 0.317 nan 8.270 nan 0.000 0.449 869 R N 3.692 124.235 120.500 0.073 0.000 2.451 869 R HA 0.483 4.823 4.340 -0.001 0.000 0.307 869 R C -1.480 174.857 176.300 0.062 0.000 0.965 869 R CA -0.579 55.561 56.100 0.066 0.000 0.865 869 R CB 1.312 31.648 30.300 0.059 0.000 1.174 869 R HN 0.708 nan 8.270 nan 0.000 0.455 870 L N 3.970 125.228 121.223 0.058 0.000 2.381 870 L HA 0.518 4.857 4.340 -0.001 0.000 0.274 870 L C 0.779 177.676 176.870 0.045 0.000 0.988 870 L CA -0.556 54.316 54.840 0.054 0.000 0.824 870 L CB 2.150 44.243 42.059 0.057 0.000 1.263 870 L HN 0.807 nan 8.230 nan 0.000 0.410 871 A N 1.666 124.509 122.820 0.038 0.000 2.014 871 A HA 0.101 4.420 4.320 -0.001 0.000 0.218 871 A C 0.984 178.585 177.584 0.028 0.000 1.163 871 A CA 0.886 52.941 52.037 0.030 0.000 0.652 871 A CB -0.025 18.988 19.000 0.023 0.000 0.808 871 A HN 0.619 nan 8.150 nan 0.000 0.449 872 S N -0.408 115.309 115.700 0.029 0.000 2.638 872 S HA 0.428 4.898 4.470 -0.001 0.000 0.298 872 S C -0.667 173.953 174.600 0.033 0.000 1.111 872 S CA -0.681 57.534 58.200 0.025 0.000 1.027 872 S CB 1.499 64.708 63.200 0.016 0.000 1.064 872 S HN 0.476 nan 8.310 nan 0.000 0.525 873 D N 0.443 120.862 120.400 0.032 0.000 2.341 873 D HA 0.213 4.852 4.640 -0.001 0.000 0.245 873 D C -0.207 176.111 176.300 0.031 0.000 1.106 873 D CA -0.307 53.720 54.000 0.045 0.000 0.905 873 D CB 0.638 41.462 40.800 0.041 0.000 1.202 873 D HN 0.511 nan 8.370 nan 0.000 0.426 874 D N 1.806 122.229 120.400 0.039 0.000 2.643 874 D HA 0.076 4.715 4.640 -0.001 0.000 0.244 874 D C -0.427 175.827 176.300 -0.077 0.000 1.257 874 D CA -0.322 53.668 54.000 -0.017 0.000 0.831 874 D CB -0.474 40.311 40.800 -0.024 0.000 1.043 874 D HN 0.695 nan 8.370 nan 0.000 0.488 875 E N -0.390 119.790 120.200 -0.035 0.000 2.868 875 E HA -0.222 4.127 4.350 -0.001 0.000 0.278 875 E C 0.355 176.904 176.600 -0.084 0.000 1.009 875 E CA 0.241 56.617 56.400 -0.041 0.000 0.856 875 E CB -0.861 28.814 29.700 -0.042 0.000 1.428 875 E HN 0.186 nan 8.360 nan 0.000 0.423 876 R N -0.546 119.862 120.500 -0.154 0.000 2.509 876 R HA 0.226 4.565 4.340 -0.001 0.000 0.300 876 R C 1.412 177.757 176.300 0.074 0.000 0.985 876 R CA 0.713 56.638 56.100 -0.292 0.000 1.092 876 R CB 1.010 30.615 30.300 -1.158 0.000 1.237 876 R HN 0.421 nan 8.270 nan 0.000 0.546 877 G N 0.622 109.556 108.800 0.223 0.000 2.218 877 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.216 877 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.216 877 G C 0.761 175.773 174.900 0.186 0.000 0.994 877 G CA 0.202 45.526 45.100 0.373 0.000 0.637 877 G HN 0.273 nan 8.290 nan 0.000 0.505 878 L N 1.583 123.009 121.223 0.337 0.000 2.046 878 L HA 0.406 4.746 4.340 -0.001 0.000 0.208 878 L C 2.262 179.123 176.870 -0.015 0.000 1.077 878 L CA 2.929 57.857 54.840 0.147 0.000 0.747 878 L CB -0.727 41.559 42.059 0.378 0.000 0.896 878 L HN 1.728 nan 8.230 nan 0.000 0.432 879 G N -0.512 108.312 108.800 0.040 0.000 2.198 879 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.260 879 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.260 879 G C 0.089 174.995 174.900 0.011 0.000 1.025 879 G CA 0.688 45.792 45.100 0.007 0.000 0.769 879 G HN 0.791 nan 8.290 nan 0.000 0.507 880 Q N -1.925 117.898 119.800 0.037 0.000 2.575 880 Q HA 0.704 5.043 4.340 -0.001 0.000 0.290 880 Q C 0.474 176.507 176.000 0.054 0.000 0.963 880 Q CA -0.626 55.199 55.803 0.037 0.000 0.783 880 Q CB 0.596 29.352 28.738 0.030 0.000 1.467 880 Q HN 0.865 nan 8.270 nan 0.000 0.402 881 G N 0.067 108.895 108.800 0.047 0.000 2.504 881 G HA2 0.482 4.442 3.960 -0.001 0.000 0.257 881 G HA3 0.482 4.442 3.960 -0.001 0.000 0.257 881 G C -0.883 174.051 174.900 0.057 0.000 1.451 881 G CA -0.603 44.527 45.100 0.051 0.000 1.059 881 G HN 0.410 nan 8.290 nan 0.000 0.550 882 V N 0.834 120.783 119.914 0.059 0.000 2.305 882 V HA 0.349 4.469 4.120 -0.001 0.000 0.275 882 V C 0.053 176.186 176.094 0.065 0.000 1.020 882 V CA -0.145 62.196 62.300 0.069 0.000 0.811 882 V CB 0.892 32.760 31.823 0.076 0.000 1.031 882 V HN 0.526 nan 8.190 nan 0.000 0.439 883 L N 3.342 124.602 121.223 0.061 0.000 3.267 883 L HA 0.332 4.671 4.340 -0.001 0.000 0.289 883 L C 0.554 177.455 176.870 0.052 0.000 1.260 883 L CA 0.028 54.899 54.840 0.052 0.000 1.034 883 L CB 0.684 42.768 42.059 0.041 0.000 1.413 883 L HN 0.678 nan 8.230 nan 0.000 0.594 884 D N -2.301 118.140 120.400 0.067 0.000 2.559 884 D HA 0.060 4.699 4.640 -0.001 0.000 0.234 884 D C 0.126 176.472 176.300 0.075 0.000 1.226 884 D CA -0.474 53.567 54.000 0.067 0.000 0.830 884 D CB -0.372 40.475 40.800 0.079 0.000 1.028 884 D HN 0.063 nan 8.370 nan 0.000 0.492 885 N N 1.638 120.381 118.700 0.071 0.000 2.395 885 N HA 0.094 4.834 4.740 -0.001 0.000 0.246 885 N C 0.106 175.629 175.510 0.021 0.000 1.246 885 N CA 0.377 53.468 53.050 0.069 0.000 0.879 885 N CB 0.613 39.138 38.487 0.063 0.000 1.098 885 N HN 0.306 nan 8.380 nan 0.000 0.444 886 K N -0.203 120.194 120.400 -0.006 0.000 2.477 886 K HA 0.554 4.873 4.320 -0.001 0.000 0.255 886 K C -3.177 173.390 176.600 -0.055 0.000 0.952 886 K CA -2.101 54.133 56.287 -0.088 0.000 0.826 886 K CB 1.343 33.690 32.500 -0.254 0.000 1.331 886 K HN 0.132 nan 8.250 nan 0.000 0.437 887 P HA -0.079 nan 4.420 nan 0.000 0.261 887 P C -0.977 176.336 177.300 0.021 0.000 1.173 887 P CA -0.286 62.791 63.100 -0.039 0.000 0.760 887 P CB 0.611 32.279 31.700 -0.053 0.000 0.783 888 V N 5.303 125.204 119.914 -0.022 0.000 2.841 888 V HA 0.491 4.610 4.120 -0.001 0.000 0.310 888 V C -1.294 174.680 176.094 -0.201 0.000 1.090 888 V CA -1.099 61.170 62.300 -0.051 0.000 0.930 888 V CB 2.165 33.939 31.823 -0.083 0.000 1.014 888 V HN 0.271 nan 8.190 nan 0.000 0.425 889 L N 6.828 127.961 121.223 -0.151 0.000 2.272 889 L HA 0.595 4.934 4.340 -0.001 0.000 0.284 889 L C -0.398 176.454 176.870 -0.031 0.000 1.045 889 L CA 0.090 54.872 54.840 -0.096 0.000 0.842 889 L CB 0.333 42.358 42.059 -0.057 0.000 1.224 889 L HN 0.700 nan 8.230 nan 0.000 0.430 890 H N 5.580 124.669 119.070 0.032 0.000 2.582 890 H HA 0.475 5.031 4.556 -0.001 0.000 0.345 890 H C -0.087 175.145 175.328 -0.160 0.000 1.104 890 H CA -0.139 55.874 56.048 -0.059 0.000 1.390 890 H CB 1.214 31.017 29.762 0.070 0.000 1.461 890 H HN 0.698 nan 8.280 nan 0.000 0.551 891 I N 0.293 120.696 120.570 -0.278 0.000 2.689 891 I HA 0.606 4.776 4.170 -0.001 0.000 0.299 891 I C -1.439 174.328 176.117 -0.583 0.000 1.059 891 I CA -0.943 60.207 61.300 -0.249 0.000 1.055 891 I CB 2.145 40.090 38.000 -0.092 0.000 1.243 891 I HN 0.241 nan 8.210 nan 0.000 0.425 892 Y N 2.619 122.961 120.300 0.069 0.000 2.625 892 Y HA 0.705 5.254 4.550 -0.001 0.000 0.338 892 Y C -0.625 175.321 175.900 0.076 0.000 1.123 892 Y CA -1.085 57.063 58.100 0.080 0.000 1.046 892 Y CB 1.607 40.134 38.460 0.112 0.000 1.299 892 Y HN 0.421 nan 8.280 nan 0.000 0.464 893 R N 1.449 122.104 120.500 0.258 0.000 2.686 893 R HA 0.611 4.951 4.340 -0.001 0.000 0.286 893 R C -1.940 174.469 176.300 0.182 0.000 0.969 893 R CA -1.128 55.078 56.100 0.177 0.000 0.898 893 R CB 2.579 32.942 30.300 0.106 0.000 1.183 893 R HN 0.666 nan 8.270 nan 0.000 0.456 894 L N 2.355 123.667 121.223 0.148 0.000 2.342 894 L HA 0.445 4.784 4.340 -0.001 0.000 0.276 894 L C -1.236 175.664 176.870 0.050 0.000 0.997 894 L CA -0.549 54.356 54.840 0.109 0.000 0.838 894 L CB 1.836 43.975 42.059 0.133 0.000 1.224 894 L HN 0.317 nan 8.230 nan 0.000 0.416 895 V N 6.286 126.214 119.914 0.022 0.000 2.326 895 V HA 0.385 4.504 4.120 -0.001 0.000 0.281 895 V C -0.275 175.795 176.094 -0.040 0.000 1.015 895 V CA -0.550 61.743 62.300 -0.011 0.000 0.823 895 V CB 1.310 33.118 31.823 -0.025 0.000 1.009 895 V HN 0.652 nan 8.190 nan 0.000 0.436 896 L N 5.286 126.482 121.223 -0.046 0.000 2.292 896 L HA 0.662 5.002 4.340 -0.001 0.000 0.284 896 L C -0.110 176.722 176.870 -0.063 0.000 1.065 896 L CA 0.710 55.514 54.840 -0.059 0.000 0.806 896 L CB 1.017 43.037 42.059 -0.065 0.000 1.175 896 L HN 0.710 nan 8.230 nan 0.000 0.431 897 E N 3.450 123.606 120.200 -0.074 0.000 2.356 897 E HA 0.402 4.751 4.350 -0.001 0.000 0.275 897 E C -1.233 175.323 176.600 -0.074 0.000 0.904 897 E CA -1.209 55.144 56.400 -0.079 0.000 0.757 897 E CB 1.514 31.151 29.700 -0.106 0.000 1.232 897 E HN 0.252 nan 8.360 nan 0.000 0.442 898 K N 1.394 121.755 120.400 -0.065 0.000 2.322 898 K HA 0.145 4.464 4.320 -0.001 0.000 0.283 898 K C 0.469 177.027 176.600 -0.070 0.000 1.042 898 K CA -0.093 56.159 56.287 -0.059 0.000 0.958 898 K CB 0.978 33.448 32.500 -0.049 0.000 0.984 898 K HN 0.482 nan 8.250 nan 0.000 0.473 899 V N -0.386 119.488 119.914 -0.067 0.000 3.330 899 V HA 0.033 4.152 4.120 -0.001 0.000 0.309 899 V C 1.140 177.199 176.094 -0.058 0.000 1.481 899 V CA -0.198 62.054 62.300 -0.079 0.000 1.068 899 V CB -0.179 31.580 31.823 -0.107 0.000 0.935 899 V HN 0.625 nan 8.190 nan 0.000 0.453 900 N N 1.524 120.199 118.700 -0.042 0.000 2.364 900 N HA -0.178 4.562 4.740 -0.001 0.000 0.183 900 N C 1.015 176.505 175.510 -0.033 0.000 1.022 900 N CA 1.658 54.690 53.050 -0.030 0.000 0.883 900 N CB -0.568 37.906 38.487 -0.022 0.000 0.965 900 N HN 0.540 nan 8.380 nan 0.000 0.438 901 N N 0.041 118.716 118.700 -0.041 0.000 2.336 901 N HA 0.064 4.804 4.740 -0.001 0.000 0.189 901 N C -0.292 175.188 175.510 -0.050 0.000 1.113 901 N CA -0.081 52.945 53.050 -0.041 0.000 0.858 901 N CB 0.016 38.479 38.487 -0.041 0.000 0.970 901 N HN 0.217 nan 8.380 nan 0.000 0.471 902 c N 1.269 119.833 118.600 -0.059 0.000 2.593 902 c HA 0.262 4.831 4.570 -0.001 0.000 0.409 902 c C 1.000 175.052 174.090 -0.062 0.000 1.304 902 c CA -0.938 55.347 56.329 -0.073 0.000 2.007 902 c CB 0.751 43.203 42.510 -0.096 0.000 2.614 902 c HN 0.015 nan 8.230 nan 0.000 0.585 903 V N 5.891 125.764 119.914 -0.068 0.000 2.387 903 V HA 0.206 4.326 4.120 -0.001 0.000 0.260 903 V C 0.632 176.689 176.094 -0.062 0.000 1.054 903 V CA 0.390 62.654 62.300 -0.060 0.000 0.967 903 V CB -0.603 31.180 31.823 -0.066 0.000 1.036 903 V HN 0.791 nan 8.190 nan 0.000 0.481 904 R N 4.750 125.226 120.500 -0.040 0.000 2.720 904 R HA 0.534 4.873 4.340 -0.001 0.000 0.272 904 R C -2.487 173.806 176.300 -0.011 0.000 0.991 904 R CA -1.917 54.167 56.100 -0.027 0.000 1.010 904 R CB 1.166 31.453 30.300 -0.022 0.000 1.141 904 R HN 0.390 nan 8.270 nan 0.000 0.494 905 P HA -0.058 nan 4.420 nan 0.000 0.268 905 P C -0.302 177.038 177.300 0.067 0.000 1.208 905 P CA -0.102 62.984 63.100 -0.024 0.000 0.777 905 P CB 0.556 32.165 31.700 -0.152 0.000 0.875 906 S N 1.661 117.427 115.700 0.111 0.000 2.572 906 S HA 0.014 4.483 4.470 -0.001 0.000 0.267 906 S C 1.122 175.802 174.600 0.133 0.000 1.361 906 S CA -0.048 58.219 58.200 0.112 0.000 1.009 906 S CB 0.242 63.509 63.200 0.112 0.000 0.888 906 S HN 0.333 nan 8.310 nan 0.000 0.553 907 K N 0.590 121.049 120.400 0.100 0.000 2.281 907 K HA -0.028 4.291 4.320 -0.001 0.000 0.203 907 K C 1.500 178.155 176.600 0.092 0.000 1.046 907 K CA 1.402 57.745 56.287 0.093 0.000 0.938 907 K CB -0.562 31.977 32.500 0.065 0.000 0.737 907 K HN 0.571 nan 8.250 nan 0.000 0.458 908 L N -0.218 121.062 121.223 0.096 0.000 2.567 908 L HA 0.033 4.372 4.340 -0.001 0.000 0.225 908 L C 1.072 177.993 176.870 0.085 0.000 1.119 908 L CA -0.228 54.653 54.840 0.069 0.000 0.871 908 L CB -0.203 41.883 42.059 0.044 0.000 1.036 908 L HN 0.235 nan 8.230 nan 0.000 0.459 909 H N 2.417 121.525 119.070 0.062 0.000 2.886 909 H HA 0.063 4.619 4.556 -0.001 0.000 0.329 909 H C -1.689 173.679 175.328 0.066 0.000 1.044 909 H CA -1.245 54.853 56.048 0.083 0.000 1.456 909 H CB 1.724 31.561 29.762 0.126 0.000 1.464 909 H HN -0.074 nan 8.280 nan 0.000 0.573 910 P HA 0.118 nan 4.420 nan 0.000 0.241 910 P C -0.390 177.015 177.300 0.175 0.000 1.191 910 P CA 0.218 63.351 63.100 0.054 0.000 0.771 910 P CB 0.493 32.155 31.700 -0.063 0.000 0.929 911 A N -0.258 122.836 122.820 0.457 0.000 2.281 911 A HA 0.736 5.055 4.320 -0.001 0.000 0.329 911 A C 0.346 177.994 177.584 0.107 0.000 1.122 911 A CA -0.274 51.907 52.037 0.239 0.000 0.850 911 A CB 0.891 20.025 19.000 0.223 0.000 1.207 911 A HN 0.167 nan 8.150 nan 0.000 0.495 912 G N -1.289 107.450 108.800 -0.101 0.000 2.658 912 G HA2 0.626 4.585 3.960 -0.001 0.000 0.292 912 G HA3 0.626 4.585 3.960 -0.001 0.000 0.292 912 G C -1.822 172.678 174.900 -0.667 0.000 1.320 912 G CA -0.395 44.521 45.100 -0.306 0.000 0.933 912 G HN 0.511 nan 8.290 nan 0.000 0.476 913 Y N -0.665 119.573 120.300 -0.104 0.000 2.477 913 Y HA 0.490 5.039 4.550 -0.001 0.000 0.347 913 Y C 0.454 176.099 175.900 -0.425 0.000 0.981 913 Y CA -0.848 57.130 58.100 -0.203 0.000 1.033 913 Y CB 1.995 40.334 38.460 -0.201 0.000 1.245 913 Y HN 0.339 nan 8.280 nan 0.000 0.455 914 L N 2.270 123.319 121.223 -0.291 0.000 2.464 914 L HA 0.304 4.643 4.340 -0.001 0.000 0.264 914 L C 0.784 177.499 176.870 -0.259 0.000 1.199 914 L CA -0.439 54.161 54.840 -0.400 0.000 0.818 914 L CB 0.635 42.538 42.059 -0.260 0.000 1.102 914 L HN 0.789 nan 8.230 nan 0.000 0.473 915 T N -2.349 112.043 114.554 -0.269 0.000 2.816 915 T HA 0.047 4.396 4.350 -0.001 0.000 0.282 915 T C 1.168 175.810 174.700 -0.095 0.000 0.993 915 T CA -0.159 61.835 62.100 -0.177 0.000 0.994 915 T CB 1.461 70.222 68.868 -0.178 0.000 1.025 915 T HN 0.626 nan 8.240 nan 0.000 0.529 916 S N 0.684 116.340 115.700 -0.074 0.000 2.365 916 S HA -0.177 4.292 4.470 -0.001 0.000 0.225 916 S C 2.363 176.969 174.600 0.010 0.000 1.039 916 S CA 1.621 59.809 58.200 -0.020 0.000 1.033 916 S CB -1.274 61.898 63.200 -0.046 0.000 0.887 916 S HN 0.935 nan 8.310 nan 0.000 0.447 917 A N 1.302 124.105 122.820 -0.029 0.000 1.908 917 A HA 0.155 4.474 4.320 -0.001 0.000 0.218 917 A C 2.498 180.074 177.584 -0.014 0.000 1.181 917 A CA 2.065 54.088 52.037 -0.023 0.000 0.627 917 A CB -1.425 17.551 19.000 -0.040 0.000 0.818 917 A HN 0.835 nan 8.150 nan 0.000 0.445 918 A N -1.103 121.695 122.820 -0.035 0.000 1.897 918 A HA -0.098 4.222 4.320 -0.001 0.000 0.215 918 A C 2.012 179.616 177.584 0.034 0.000 1.181 918 A CA 1.971 53.990 52.037 -0.031 0.000 0.620 918 A CB -0.871 18.058 19.000 -0.119 0.000 0.821 918 A HN 0.779 nan 8.150 nan 0.000 0.443 919 H N 0.116 119.166 119.070 -0.033 0.000 2.319 919 H HA -0.071 4.484 4.556 -0.001 0.000 0.299 919 H C 1.938 177.297 175.328 0.051 0.000 1.092 919 H CA 2.266 58.331 56.048 0.028 0.000 1.302 919 H CB -0.107 29.665 29.762 0.015 0.000 1.373 919 H HN 0.410 nan 8.280 nan 0.000 0.497 920 K N -0.239 120.121 120.400 -0.066 0.000 2.097 920 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 920 K C 2.384 178.944 176.600 -0.066 0.000 1.049 920 K CA 0.909 57.142 56.287 -0.089 0.000 0.933 920 K CB -0.150 32.348 32.500 -0.003 0.000 0.717 920 K HN 0.404 nan 8.250 nan 0.000 0.442 921 A N 0.813 123.616 122.820 -0.028 0.000 1.902 921 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 921 A C 2.207 179.786 177.584 -0.009 0.000 1.181 921 A CA 1.994 54.029 52.037 -0.005 0.000 0.623 921 A CB -0.644 18.369 19.000 0.021 0.000 0.818 921 A HN 0.278 nan 8.150 nan 0.000 0.443 922 S N -0.642 115.052 115.700 -0.009 0.000 2.356 922 S HA -0.248 4.221 4.470 -0.001 0.000 0.223 922 S C 2.163 176.736 174.600 -0.044 0.000 1.032 922 S CA 1.774 59.982 58.200 0.013 0.000 1.005 922 S CB -0.418 62.831 63.200 0.082 0.000 0.867 922 S HN 0.678 nan 8.310 nan 0.000 0.449 923 Q N 0.338 120.065 119.800 -0.122 0.000 2.135 923 Q HA -0.069 4.271 4.340 -0.001 0.000 0.204 923 Q C 2.427 178.367 176.000 -0.101 0.000 0.981 923 Q CA 1.731 57.464 55.803 -0.116 0.000 0.856 923 Q CB -0.303 28.351 28.738 -0.140 0.000 0.902 923 Q HN 0.515 nan 8.270 nan 0.000 0.425 924 S N 0.756 116.409 115.700 -0.079 0.000 2.419 924 S HA -0.073 4.397 4.470 -0.001 0.000 0.233 924 S C 1.870 176.407 174.600 -0.105 0.000 1.016 924 S CA 0.819 58.971 58.200 -0.080 0.000 0.974 924 S CB -0.051 63.123 63.200 -0.043 0.000 0.786 924 S HN 0.275 nan 8.310 nan 0.000 0.492 925 L N 0.279 121.449 121.223 -0.088 0.000 2.102 925 L HA 0.104 4.444 4.340 -0.001 0.000 0.202 925 L C 2.091 178.868 176.870 -0.154 0.000 1.076 925 L CA 0.873 55.653 54.840 -0.099 0.000 0.761 925 L CB -0.357 41.667 42.059 -0.058 0.000 0.921 925 L HN 0.264 nan 8.230 nan 0.000 0.444 926 L N -1.097 120.039 121.223 -0.147 0.000 2.162 926 L HA 0.013 4.353 4.340 -0.001 0.000 0.205 926 L C 0.164 176.854 176.870 -0.300 0.000 1.086 926 L CA 0.845 55.576 54.840 -0.182 0.000 0.778 926 L CB 0.074 42.062 42.059 -0.117 0.000 0.928 926 L HN 0.234 nan 8.230 nan 0.000 0.446 927 D N 0.482 120.696 120.400 -0.310 0.000 2.613 927 D HA 0.234 4.873 4.640 -0.001 0.000 0.312 927 D C -2.383 173.657 176.300 -0.433 0.000 1.202 927 D CA -1.025 52.703 54.000 -0.454 0.000 0.825 927 D CB 1.335 42.080 40.800 -0.092 0.000 1.113 927 D HN 0.060 nan 8.370 nan 0.000 0.502 928 P HA 0.116 nan 4.420 nan 0.000 0.274 928 P C 0.596 177.755 177.300 -0.234 0.000 1.256 928 P CA -0.504 62.407 63.100 -0.314 0.000 0.795 928 P CB 1.504 33.027 31.700 -0.295 0.000 1.038 929 L N 1.127 122.280 121.223 -0.116 0.000 2.525 929 L HA 0.041 4.380 4.340 -0.001 0.000 0.278 929 L C 0.944 177.822 176.870 0.013 0.000 1.218 929 L CA 0.513 55.339 54.840 -0.023 0.000 0.878 929 L CB -0.392 41.669 42.059 0.002 0.000 1.127 929 L HN 0.288 nan 8.230 nan 0.000 0.492 930 D N 3.787 124.279 120.400 0.154 0.000 2.264 930 D HA 0.301 4.941 4.640 -0.001 0.000 0.249 930 D C -0.261 176.109 176.300 0.116 0.000 1.070 930 D CA -0.212 53.870 54.000 0.137 0.000 0.912 930 D CB 1.515 42.479 40.800 0.273 0.000 1.193 930 D HN 0.385 nan 8.370 nan 0.000 0.427 931 K N 1.286 121.636 120.400 -0.082 0.000 2.345 931 K HA 0.453 4.773 4.320 -0.001 0.000 0.255 931 K C -1.045 175.524 176.600 -0.052 0.000 0.934 931 K CA -0.656 55.689 56.287 0.097 0.000 0.801 931 K CB 1.564 34.072 32.500 0.013 0.000 1.137 931 K HN 0.226 nan 8.250 nan 0.000 0.424 932 F N 2.685 122.855 119.950 0.367 0.000 2.507 932 F HA 0.483 5.010 4.527 -0.001 0.000 0.325 932 F C 0.042 176.152 175.800 0.517 0.000 1.116 932 F CA -0.886 57.321 58.000 0.345 0.000 0.930 932 F CB 1.225 40.252 39.000 0.045 0.000 1.146 932 F HN 0.205 nan 8.300 nan 0.000 0.447 933 I N 3.681 124.639 120.570 0.647 0.000 2.339 933 I HA 0.206 4.375 4.170 -0.001 0.000 0.290 933 I C -0.457 175.934 176.117 0.457 0.000 0.994 933 I CA -0.813 60.786 61.300 0.500 0.000 1.191 933 I CB 1.043 39.235 38.000 0.321 0.000 1.343 933 I HN 0.434 nan 8.210 nan 0.000 0.458 934 F N 5.789 125.887 119.950 0.246 0.000 2.578 934 F HA 0.137 4.663 4.527 -0.001 0.000 0.381 934 F C 1.215 176.928 175.800 -0.146 0.000 1.069 934 F CA 0.194 58.039 58.000 -0.257 0.000 1.231 934 F CB 1.076 39.955 39.000 -0.202 0.000 1.086 934 F HN 0.616 nan 8.300 nan 0.000 0.564 935 A N 4.421 126.649 122.820 -0.987 0.000 1.903 935 A HA 0.039 4.359 4.320 -0.001 0.000 0.213 935 A C 1.150 178.473 177.584 -0.434 0.000 1.185 935 A CA 0.637 52.337 52.037 -0.561 0.000 0.628 935 A CB -0.324 18.331 19.000 -0.576 0.000 0.830 935 A HN 0.665 nan 8.150 nan 0.000 0.446 936 E N -0.170 119.623 120.200 -0.679 0.000 2.602 936 E HA 0.155 4.504 4.350 -0.001 0.000 0.255 936 E C 0.330 177.035 176.600 0.176 0.000 1.268 936 E CA -0.559 55.753 56.400 -0.146 0.000 1.007 936 E CB 0.094 29.766 29.700 -0.048 0.000 1.208 936 E HN 0.243 nan 8.360 nan 0.000 0.584 937 N N 0.508 119.329 118.700 0.202 0.000 2.250 937 N HA -0.089 4.651 4.740 -0.001 0.000 0.181 937 N C 0.033 175.706 175.510 0.272 0.000 1.017 937 N CA 0.848 54.025 53.050 0.212 0.000 0.866 937 N CB 0.337 38.903 38.487 0.132 0.000 0.985 937 N HN 0.443 nan 8.380 nan 0.000 0.429 938 E N -0.780 119.600 120.200 0.300 0.000 2.272 938 E HA 0.125 4.475 4.350 -0.001 0.000 0.269 938 E C -1.545 175.149 176.600 0.157 0.000 0.877 938 E CA -0.703 55.805 56.400 0.180 0.000 0.755 938 E CB 1.281 31.044 29.700 0.106 0.000 1.192 938 E HN -0.001 nan 8.360 nan 0.000 0.422 939 W N 7.946 128.943 121.300 -0.504 0.000 2.298 939 W HA 0.405 5.065 4.660 -0.001 0.000 0.327 939 W C -1.291 175.012 176.519 -0.361 0.000 0.988 939 W CA -1.431 55.447 57.345 -0.777 0.000 1.448 939 W CB -0.082 28.373 29.460 -1.676 0.000 1.243 939 W HN 0.459 nan 8.180 nan 0.000 0.388 940 I N 6.062 126.708 120.570 0.126 0.000 2.533 940 I HA 0.172 4.341 4.170 -0.001 0.000 0.284 940 I C 1.520 177.618 176.117 -0.033 0.000 1.109 940 I CA 1.247 62.559 61.300 0.020 0.000 1.412 940 I CB 0.408 38.452 38.000 0.074 0.000 1.396 940 I HN 0.800 nan 8.210 nan 0.000 0.543 941 G N 4.477 113.177 108.800 -0.167 0.000 2.148 941 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.254 941 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.254 941 G C 0.462 175.122 174.900 -0.399 0.000 0.981 941 G CA -0.024 44.962 45.100 -0.190 0.000 0.670 941 G HN 1.006 nan 8.290 nan 0.000 0.528 942 A N -0.538 121.772 122.820 -0.851 0.000 2.561 942 A HA 0.515 4.835 4.320 -0.001 0.000 0.234 942 A C 0.606 177.765 177.584 -0.708 0.000 1.055 942 A CA 0.990 52.163 52.037 -1.440 0.000 0.756 942 A CB 0.211 17.980 19.000 -2.052 0.000 0.986 942 A HN 0.677 nan 8.150 nan 0.000 0.505 943 Q N 0.687 120.150 119.800 -0.562 0.000 2.351 943 Q HA 0.535 4.875 4.340 -0.001 0.000 0.273 943 Q C 1.152 177.045 176.000 -0.178 0.000 1.077 943 Q CA -0.203 55.442 55.803 -0.263 0.000 0.843 943 Q CB 1.909 30.561 28.738 -0.145 0.000 1.367 943 Q HN 0.792 nan 8.270 nan 0.000 0.449 944 G N 0.019 108.753 108.800 -0.110 0.000 2.603 944 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.214 944 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.214 944 G C 0.155 175.038 174.900 -0.028 0.000 1.140 944 G CA 0.535 45.586 45.100 -0.082 0.000 0.800 944 G HN 0.421 nan 8.290 nan 0.000 0.533 945 Q N -1.345 118.455 119.800 0.000 0.000 2.426 945 Q HA 0.510 4.850 4.340 -0.001 0.000 0.278 945 Q C -2.374 173.660 176.000 0.056 0.000 1.007 945 Q CA -0.896 54.923 55.803 0.027 0.000 0.850 945 Q CB 2.288 31.027 28.738 0.002 0.000 1.427 945 Q HN 0.060 nan 8.270 nan 0.000 0.391 946 F N 1.206 121.075 119.950 -0.135 0.000 2.556 946 F HA 0.636 5.162 4.527 -0.001 0.000 0.314 946 F C 0.549 176.113 175.800 -0.394 0.000 1.106 946 F CA 0.446 58.299 58.000 -0.245 0.000 0.911 946 F CB 2.043 40.908 39.000 -0.225 0.000 1.190 946 F HN 0.675 nan 8.300 nan 0.000 0.448 947 G N 3.072 110.876 108.800 -1.659 0.000 2.141 947 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.242 947 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.242 947 G C 1.068 175.286 174.900 -1.136 0.000 0.982 947 G CA 0.358 44.199 45.100 -2.097 0.000 0.662 947 G HN 1.594 nan 8.290 nan 0.000 0.527 948 G N 1.281 109.719 108.800 -0.605 0.000 2.485 948 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.221 948 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.221 948 G C 1.297 176.128 174.900 -0.115 0.000 1.115 948 G CA 1.831 46.809 45.100 -0.203 0.000 0.751 948 G HN 0.876 nan 8.290 nan 0.000 0.567 949 D N -0.595 119.653 120.400 -0.253 0.000 2.339 949 D HA 0.002 4.641 4.640 -0.001 0.000 0.217 949 D C 0.391 176.674 176.300 -0.028 0.000 1.050 949 D CA -0.391 53.550 54.000 -0.099 0.000 0.856 949 D CB -0.897 39.855 40.800 -0.080 0.000 0.922 949 D HN 0.487 nan 8.370 nan 0.000 0.518 950 H N 1.227 120.185 119.070 -0.187 0.000 2.848 950 H HA 0.215 4.770 4.556 -0.001 0.000 0.341 950 H C -1.977 173.313 175.328 -0.063 0.000 1.060 950 H CA -1.762 54.199 56.048 -0.145 0.000 1.444 950 H CB 0.478 30.106 29.762 -0.223 0.000 1.446 950 H HN 0.004 nan 8.280 nan 0.000 0.583 951 P HA -0.073 nan 4.420 nan 0.000 0.265 951 P C -0.495 176.865 177.300 0.101 0.000 1.193 951 P CA 0.201 63.359 63.100 0.096 0.000 0.765 951 P CB 0.683 32.419 31.700 0.060 0.000 0.823 952 S N 2.575 118.369 115.700 0.157 0.000 2.464 952 S HA 0.545 5.014 4.470 -0.001 0.000 0.313 952 S C 0.127 174.825 174.600 0.162 0.000 1.078 952 S CA -0.583 57.737 58.200 0.199 0.000 1.096 952 S CB -0.735 62.702 63.200 0.396 0.000 1.032 952 S HN 0.493 nan 8.310 nan 0.000 0.498 953 A N 4.458 127.365 122.820 0.145 0.000 2.332 953 A HA 0.473 4.792 4.320 -0.001 0.000 0.258 953 A C 0.617 178.250 177.584 0.082 0.000 1.087 953 A CA -0.561 51.537 52.037 0.102 0.000 0.802 953 A CB 0.216 19.274 19.000 0.097 0.000 1.042 953 A HN 0.896 nan 8.150 nan 0.000 0.489 954 R N 0.137 120.654 120.500 0.028 0.000 2.697 954 R HA -0.053 4.286 4.340 -0.001 0.000 0.265 954 R C 1.411 177.693 176.300 -0.029 0.000 1.009 954 R CA 0.933 57.019 56.100 -0.023 0.000 1.099 954 R CB 0.333 30.610 30.300 -0.038 0.000 0.965 954 R HN 0.937 nan 8.270 nan 0.000 0.428 955 E N 2.011 122.151 120.200 -0.100 0.000 2.265 955 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 955 E C 0.260 176.850 176.600 -0.016 0.000 0.996 955 E CA 1.578 57.893 56.400 -0.143 0.000 0.832 955 E CB -0.033 29.566 29.700 -0.167 0.000 0.756 955 E HN 0.752 nan 8.360 nan 0.000 0.491 956 D N 0.607 120.966 120.400 -0.069 0.000 2.340 956 D HA 0.009 4.648 4.640 -0.001 0.000 0.220 956 D C 0.314 176.580 176.300 -0.057 0.000 1.039 956 D CA -0.170 53.744 54.000 -0.143 0.000 0.866 956 D CB -0.024 40.643 40.800 -0.222 0.000 0.913 956 D HN 0.168 nan 8.370 nan 0.000 0.523 957 L N 0.917 122.162 121.223 0.036 0.000 2.295 957 L HA 0.496 4.835 4.340 -0.001 0.000 0.285 957 L C -1.103 175.881 176.870 0.190 0.000 1.035 957 L CA -0.452 54.436 54.840 0.079 0.000 0.806 957 L CB 1.658 43.753 42.059 0.060 0.000 1.214 957 L HN -0.227 nan 8.230 nan 0.000 0.426 958 D N 2.501 123.036 120.400 0.226 0.000 2.575 958 D HA 0.355 4.995 4.640 -0.001 0.000 0.236 958 D C -1.198 175.257 176.300 0.258 0.000 1.075 958 D CA -0.273 53.889 54.000 0.270 0.000 0.860 958 D CB 2.380 43.389 40.800 0.348 0.000 1.475 958 D HN 0.231 nan 8.370 nan 0.000 0.474 959 V N 3.594 123.639 119.914 0.218 0.000 2.267 959 V HA 0.106 4.226 4.120 -0.001 0.000 0.254 959 V C 1.374 177.603 176.094 0.226 0.000 1.144 959 V CA 0.005 62.446 62.300 0.234 0.000 0.992 959 V CB 0.355 32.302 31.823 0.206 0.000 1.199 959 V HN 0.571 nan 8.190 nan 0.000 0.493 960 S N 3.151 119.017 115.700 0.276 0.000 2.382 960 S HA -0.020 4.449 4.470 -0.001 0.000 0.228 960 S C 0.680 175.344 174.600 0.106 0.000 1.027 960 S CA 0.907 59.229 58.200 0.204 0.000 0.991 960 S CB 0.159 63.552 63.200 0.322 0.000 0.823 960 S HN 0.513 nan 8.310 nan 0.000 0.469 961 V N 1.532 121.547 119.914 0.168 0.000 2.686 961 V HA 0.504 4.624 4.120 -0.001 0.000 0.306 961 V C -0.758 175.418 176.094 0.137 0.000 1.065 961 V CA -0.529 61.847 62.300 0.126 0.000 0.894 961 V CB 1.841 33.760 31.823 0.161 0.000 1.004 961 V HN 0.363 nan 8.190 nan 0.000 0.424 962 M N 5.623 125.225 119.600 0.004 0.000 2.190 962 M HA 0.690 5.169 4.480 -0.001 0.000 0.312 962 M C -0.951 175.188 176.300 -0.269 0.000 0.990 962 M CA -0.494 54.681 55.300 -0.207 0.000 0.927 962 M CB 1.391 33.869 32.600 -0.204 0.000 1.571 962 M HN 0.753 nan 8.290 nan 0.000 0.427 963 R N 4.093 124.359 120.500 -0.391 0.000 2.515 963 R HA 0.420 4.759 4.340 -0.001 0.000 0.291 963 R C -1.337 174.728 176.300 -0.393 0.000 1.046 963 R CA -0.699 55.218 56.100 -0.306 0.000 0.914 963 R CB 1.768 31.969 30.300 -0.165 0.000 1.191 963 R HN 0.892 nan 8.270 nan 0.000 0.435 964 R N 4.585 124.914 120.500 -0.285 0.000 2.401 964 R HA 0.118 4.458 4.340 -0.001 0.000 0.299 964 R C 0.171 176.359 176.300 -0.186 0.000 1.064 964 R CA 0.118 56.080 56.100 -0.229 0.000 1.000 964 R CB 0.576 30.801 30.300 -0.125 0.000 0.973 964 R HN 0.710 nan 8.270 nan 0.000 0.438 965 L N 3.046 124.150 121.223 -0.197 0.000 2.590 965 L HA 0.137 4.476 4.340 -0.001 0.000 0.227 965 L C 0.415 177.232 176.870 -0.088 0.000 1.099 965 L CA 0.042 54.786 54.840 -0.159 0.000 0.872 965 L CB 0.401 42.330 42.059 -0.217 0.000 1.088 965 L HN 0.700 nan 8.230 nan 0.000 0.479 966 T N -2.495 112.019 114.554 -0.067 0.000 2.885 966 T HA 0.451 4.800 4.350 -0.001 0.000 0.285 966 T C -0.159 174.534 174.700 -0.011 0.000 1.019 966 T CA -0.924 61.155 62.100 -0.034 0.000 1.010 966 T CB 2.303 71.157 68.868 -0.024 0.000 1.022 966 T HN -0.067 nan 8.240 nan 0.000 0.466 967 K N 0.948 121.347 120.400 -0.002 0.000 2.117 967 K HA 0.324 4.644 4.320 -0.001 0.000 0.240 967 K C 1.634 178.248 176.600 0.024 0.000 1.031 967 K CA -0.307 55.990 56.287 0.017 0.000 0.909 967 K CB 0.426 32.934 32.500 0.013 0.000 1.097 967 K HN 0.786 nan 8.250 nan 0.000 0.492 968 S N -0.707 115.015 115.700 0.037 0.000 2.453 968 S HA -0.138 4.331 4.470 -0.001 0.000 0.231 968 S C 1.838 176.453 174.600 0.025 0.000 1.005 968 S CA 1.300 59.521 58.200 0.036 0.000 0.949 968 S CB -0.338 62.890 63.200 0.046 0.000 0.774 968 S HN 0.632 nan 8.310 nan 0.000 0.510 969 S N 1.606 117.318 115.700 0.021 0.000 2.522 969 S HA 0.416 4.885 4.470 -0.001 0.000 0.227 969 S C 0.848 175.454 174.600 0.010 0.000 0.986 969 S CA 0.053 58.263 58.200 0.016 0.000 0.929 969 S CB -0.630 62.580 63.200 0.015 0.000 0.769 969 S HN 0.751 nan 8.310 nan 0.000 0.529 970 A N 2.012 124.836 122.820 0.008 0.000 2.491 970 A HA 0.331 4.650 4.320 -0.001 0.000 0.261 970 A C 1.273 178.862 177.584 0.009 0.000 1.101 970 A CA -0.233 51.806 52.037 0.003 0.000 0.772 970 A CB 0.092 19.091 19.000 -0.002 0.000 1.043 970 A HN 0.522 nan 8.150 nan 0.000 0.501 971 K N 1.954 122.358 120.400 0.006 0.000 2.032 971 K HA -0.100 4.219 4.320 -0.001 0.000 0.209 971 K C 0.190 176.799 176.600 0.014 0.000 1.048 971 K CA 1.750 58.043 56.287 0.010 0.000 0.927 971 K CB -0.056 32.448 32.500 0.005 0.000 0.712 971 K HN 0.637 nan 8.250 nan 0.000 0.441 972 T N 2.540 117.099 114.554 0.008 0.000 2.781 972 T HA 0.166 4.516 4.350 -0.001 0.000 0.305 972 T C -0.870 173.842 174.700 0.019 0.000 1.001 972 T CA -0.638 61.469 62.100 0.011 0.000 0.950 972 T CB 1.336 70.200 68.868 -0.007 0.000 0.955 972 T HN 0.107 nan 8.240 nan 0.000 0.471 973 Q N 2.865 122.696 119.800 0.051 0.000 2.352 973 Q HA 0.358 4.697 4.340 -0.001 0.000 0.260 973 Q C 0.076 176.130 176.000 0.090 0.000 0.976 973 Q CA 0.227 56.068 55.803 0.063 0.000 0.881 973 Q CB 1.101 29.884 28.738 0.075 0.000 1.235 973 Q HN 0.542 nan 8.270 nan 0.000 0.419 974 R N 0.383 120.903 120.500 0.033 0.000 2.628 974 R HA 0.650 4.989 4.340 -0.001 0.000 0.288 974 R C -1.102 175.150 176.300 -0.080 0.000 0.980 974 R CA -0.614 55.485 56.100 -0.001 0.000 0.891 974 R CB 1.856 32.122 30.300 -0.058 0.000 1.188 974 R HN 0.250 nan 8.270 nan 0.000 0.450 975 V N 1.640 121.500 119.914 -0.090 0.000 2.531 975 V HA 0.613 4.733 4.120 -0.001 0.000 0.301 975 V C 0.162 175.964 176.094 -0.487 0.000 1.034 975 V CA -0.873 61.239 62.300 -0.313 0.000 0.865 975 V CB 1.999 33.647 31.823 -0.292 0.000 0.995 975 V HN 0.935 nan 8.190 nan 0.000 0.424 976 G N 3.083 111.399 108.800 -0.807 0.000 2.371 976 G HA2 0.661 4.620 3.960 -0.001 0.000 0.326 976 G HA3 0.661 4.620 3.960 -0.001 0.000 0.326 976 G C -1.622 172.843 174.900 -0.725 0.000 1.127 976 G CA -0.301 44.167 45.100 -1.053 0.000 0.885 976 G HN 0.509 nan 8.290 nan 0.000 0.477 977 Y N 0.393 120.780 120.300 0.146 0.000 2.442 977 Y HA 0.458 5.008 4.550 -0.001 0.000 0.344 977 Y C -0.124 176.055 175.900 0.465 0.000 0.976 977 Y CA -0.892 57.384 58.100 0.294 0.000 1.040 977 Y CB 2.746 41.339 38.460 0.223 0.000 1.228 977 Y HN 0.347 nan 8.280 nan 0.000 0.451 978 V N 4.891 125.109 119.914 0.507 0.000 2.370 978 V HA 0.366 4.485 4.120 -0.001 0.000 0.283 978 V C -0.815 175.507 176.094 0.379 0.000 1.023 978 V CA -0.662 61.858 62.300 0.366 0.000 0.857 978 V CB 1.514 33.502 31.823 0.274 0.000 0.985 978 V HN 0.536 nan 8.190 nan 0.000 0.443 979 L N 5.090 126.522 121.223 0.348 0.000 2.298 979 L HA 0.580 4.920 4.340 -0.001 0.000 0.284 979 L C -0.603 176.456 176.870 0.316 0.000 1.013 979 L CA -0.180 54.857 54.840 0.328 0.000 0.824 979 L CB 1.156 43.414 42.059 0.332 0.000 1.221 979 L HN 0.772 nan 8.230 nan 0.000 0.418 980 H N 4.156 123.371 119.070 0.242 0.000 2.505 980 H HA 0.555 5.111 4.556 -0.001 0.000 0.338 980 H C -0.961 174.443 175.328 0.127 0.000 1.057 980 H CA -0.592 55.564 56.048 0.179 0.000 1.202 980 H CB 1.000 30.927 29.762 0.276 0.000 1.466 980 H HN 0.596 nan 8.280 nan 0.000 0.499 981 R N 4.370 124.531 120.500 -0.565 0.000 2.343 981 R HA 0.294 4.634 4.340 -0.001 0.000 0.320 981 R C -0.325 175.540 176.300 -0.726 0.000 0.956 981 R CA -0.473 55.348 56.100 -0.466 0.000 0.836 981 R CB 1.087 31.246 30.300 -0.235 0.000 1.151 981 R HN 0.753 nan 8.270 nan 0.000 0.450 982 T N 1.700 115.957 114.554 -0.494 0.000 2.793 982 T HA 0.175 4.525 4.350 -0.001 0.000 0.299 982 T C -0.485 174.021 174.700 -0.323 0.000 1.038 982 T CA -0.428 61.475 62.100 -0.329 0.000 0.948 982 T CB 0.571 69.336 68.868 -0.172 0.000 1.231 982 T HN 0.682 nan 8.240 nan 0.000 0.538 983 N N 0.617 119.152 118.700 -0.275 0.000 2.399 983 N HA 0.475 5.214 4.740 -0.001 0.000 0.284 983 N C -1.472 173.866 175.510 -0.287 0.000 1.025 983 N CA -0.491 52.340 53.050 -0.366 0.000 0.885 983 N CB 0.663 38.767 38.487 -0.638 0.000 1.339 983 N HN 0.469 nan 8.380 nan 0.000 0.487 984 L N 2.643 123.694 121.223 -0.286 0.000 2.325 984 L HA 0.542 4.882 4.340 -0.001 0.000 0.278 984 L C 0.496 177.237 176.870 -0.216 0.000 1.023 984 L CA -1.036 53.673 54.840 -0.219 0.000 0.811 984 L CB 1.522 43.458 42.059 -0.205 0.000 1.249 984 L HN 0.360 nan 8.230 nan 0.000 0.431 985 M N 2.279 121.774 119.600 -0.175 0.000 2.251 985 M HA 0.041 4.521 4.480 -0.001 0.000 0.343 985 M C -0.131 176.081 176.300 -0.146 0.000 1.245 985 M CA 0.202 55.405 55.300 -0.162 0.000 1.061 985 M CB 0.282 32.790 32.600 -0.154 0.000 1.723 985 M HN 0.483 nan 8.290 nan 0.000 0.449 986 Q N 2.155 121.874 119.800 -0.135 0.000 2.314 986 Q HA 0.196 4.535 4.340 -0.001 0.000 0.257 986 Q C -0.056 175.887 176.000 -0.094 0.000 0.975 986 Q CA 0.102 55.839 55.803 -0.110 0.000 0.933 986 Q CB 0.936 29.613 28.738 -0.101 0.000 1.195 986 Q HN 0.792 nan 8.270 nan 0.000 0.426 987 c N 0.504 119.052 118.600 -0.087 0.000 3.255 987 c HA 0.354 4.924 4.570 -0.001 0.000 0.282 987 c C 1.241 175.294 174.090 -0.062 0.000 1.441 987 c CA 0.060 56.343 56.329 -0.077 0.000 1.785 987 c CB -0.241 42.217 42.510 -0.086 0.000 2.583 987 c HN 1.008 nan 8.230 nan 0.000 0.615 988 G N 1.403 110.168 108.800 -0.059 0.000 2.141 988 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.231 988 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.231 988 G C -0.041 174.832 174.900 -0.045 0.000 0.984 988 G CA 0.316 45.387 45.100 -0.048 0.000 0.660 988 G HN 0.433 nan 8.290 nan 0.000 0.525 989 T N 1.943 116.466 114.554 -0.051 0.000 2.738 989 T HA 0.471 4.820 4.350 -0.001 0.000 0.298 989 T C -0.551 174.121 174.700 -0.047 0.000 0.962 989 T CA -0.612 61.460 62.100 -0.046 0.000 0.972 989 T CB 1.773 70.611 68.868 -0.051 0.000 0.928 989 T HN 0.024 nan 8.240 nan 0.000 0.474 990 P HA -0.109 nan 4.420 nan 0.000 0.217 990 P C 0.228 177.503 177.300 -0.042 0.000 1.148 990 P CA 0.542 63.623 63.100 -0.032 0.000 0.828 990 P CB -0.048 31.642 31.700 -0.015 0.000 0.783 991 E N 0.035 120.205 120.200 -0.050 0.000 0.806 991 E HA -0.223 4.127 4.350 -0.001 0.000 0.314 991 E C 0.441 176.981 176.600 -0.101 0.000 0.808 991 E CA 0.496 56.849 56.400 -0.079 0.000 1.138 991 E CB -0.219 29.429 29.700 -0.086 0.000 0.665 991 E HN 0.257 nan 8.360 nan 0.000 0.327 992 E N 0.704 120.829 120.200 -0.124 0.000 2.549 992 E HA 0.203 4.552 4.350 -0.001 0.000 0.200 992 E C -0.847 175.593 176.600 -0.268 0.000 0.732 992 E CA -0.322 56.014 56.400 -0.108 0.000 0.987 992 E CB 0.165 29.869 29.700 0.008 0.000 1.810 992 E HN 0.638 nan 8.360 nan 0.000 0.377 993 H N -0.667 118.395 119.070 -0.013 0.000 2.262 993 H HA -0.124 4.431 4.556 -0.001 0.000 0.303 993 H C -0.783 174.549 175.328 0.007 0.000 0.860 993 H CA 0.844 56.889 56.048 -0.005 0.000 1.000 993 H CB -2.017 27.741 29.762 -0.008 0.000 1.584 993 H HN 0.288 nan 8.280 nan 0.000 0.304 994 T N 0.537 115.086 114.554 -0.009 0.000 2.916 994 T HA 0.586 4.936 4.350 -0.001 0.000 0.292 994 T C -0.112 174.619 174.700 0.052 0.000 1.064 994 T CA -1.220 60.888 62.100 0.014 0.000 1.011 994 T CB 2.185 71.037 68.868 -0.026 0.000 1.152 994 T HN 0.688 nan 8.240 nan 0.000 0.510 995 Q N 1.080 120.922 119.800 0.070 0.000 2.235 995 Q HA 0.412 4.752 4.340 -0.001 0.000 0.250 995 Q C -0.310 175.712 176.000 0.036 0.000 0.909 995 Q CA -1.121 54.717 55.803 0.058 0.000 0.910 995 Q CB 0.948 29.731 28.738 0.076 0.000 1.223 995 Q HN 0.321 nan 8.270 nan 0.000 0.432 996 K N 1.733 122.143 120.400 0.017 0.000 2.484 996 K HA 0.025 4.344 4.320 -0.001 0.000 0.280 996 K C -0.566 176.033 176.600 -0.001 0.000 1.013 996 K CA -0.094 56.193 56.287 0.000 0.000 1.029 996 K CB 0.195 32.686 32.500 -0.014 0.000 0.902 996 K HN 0.405 nan 8.250 nan 0.000 0.481 997 L N 3.732 124.951 121.223 -0.007 0.000 2.257 997 L HA 0.190 4.529 4.340 -0.001 0.000 0.290 997 L C -0.555 176.274 176.870 -0.068 0.000 1.044 997 L CA -0.211 54.615 54.840 -0.023 0.000 0.810 997 L CB 0.747 42.802 42.059 -0.007 0.000 1.193 997 L HN 0.444 nan 8.230 nan 0.000 0.425 998 D N 3.413 123.768 120.400 -0.076 0.000 2.460 998 D HA 0.177 4.816 4.640 -0.001 0.000 0.232 998 D C 1.050 177.251 176.300 -0.165 0.000 1.079 998 D CA -0.323 53.608 54.000 -0.114 0.000 0.864 998 D CB 1.217 41.993 40.800 -0.040 0.000 1.048 998 D HN 0.366 nan 8.370 nan 0.000 0.523 999 V N 1.467 121.186 119.914 -0.325 0.000 2.594 999 V HA -0.168 3.951 4.120 -0.001 0.000 0.253 999 V C 2.051 177.846 176.094 -0.499 0.000 1.069 999 V CA 1.071 63.004 62.300 -0.612 0.000 1.082 999 V CB -1.049 30.154 31.823 -1.033 0.000 0.680 999 V HN 0.642 nan 8.190 nan 0.000 0.469 1000 c N 0.594 119.034 118.600 -0.266 0.000 2.437 1000 c HA 0.018 4.587 4.570 -0.001 0.000 0.283 1000 c C 2.128 176.115 174.090 -0.171 0.000 1.424 1000 c CA 1.241 57.478 56.329 -0.154 0.000 1.782 1000 c CB -1.718 40.686 42.510 -0.177 0.000 1.833 1000 c HN 0.768 nan 8.230 nan 0.000 0.532 1001 H N -0.882 118.174 119.070 -0.023 0.000 2.520 1001 H HA 0.258 4.814 4.556 -0.001 0.000 0.284 1001 H C 1.697 177.060 175.328 0.059 0.000 1.037 1001 H CA -0.030 56.042 56.048 0.039 0.000 1.168 1001 H CB 0.051 29.818 29.762 0.009 0.000 1.497 1001 H HN 0.351 nan 8.280 nan 0.000 0.547 1002 L N -0.231 121.056 121.223 0.106 0.000 2.156 1002 L HA -0.033 4.307 4.340 -0.001 0.000 0.208 1002 L C -0.147 176.872 176.870 0.249 0.000 1.095 1002 L CA 0.698 55.628 54.840 0.149 0.000 0.770 1002 L CB 0.133 42.241 42.059 0.081 0.000 0.914 1002 L HN 0.175 nan 8.230 nan 0.000 0.439 1003 L N -0.410 120.913 121.223 0.165 0.000 2.331 1003 L HA 0.408 4.747 4.340 -0.001 0.000 0.275 1003 L C -2.035 174.873 176.870 0.062 0.000 1.022 1003 L CA -1.703 53.157 54.840 0.033 0.000 0.812 1003 L CB 0.886 42.733 42.059 -0.353 0.000 1.257 1003 L HN -0.236 nan 8.230 nan 0.000 0.435 1004 P HA 0.155 nan 4.420 nan 0.000 0.274 1004 P C -0.794 176.614 177.300 0.180 0.000 1.256 1004 P CA -0.308 62.863 63.100 0.118 0.000 0.795 1004 P CB 0.293 32.041 31.700 0.079 0.000 1.038 1005 N N -3.180 115.617 118.700 0.163 0.000 2.740 1005 N HA -0.154 4.585 4.740 -0.001 0.000 0.248 1005 N C 0.025 175.637 175.510 0.170 0.000 1.062 1005 N CA 0.094 53.233 53.050 0.147 0.000 0.704 1005 N CB -2.013 36.545 38.487 0.119 0.000 0.968 1005 N HN 0.255 nan 8.380 nan 0.000 0.547 1006 V N -0.062 119.923 119.914 0.119 0.000 2.655 1006 V HA 0.371 4.491 4.120 -0.001 0.000 0.300 1006 V C 1.196 177.213 176.094 -0.127 0.000 1.044 1006 V CA 1.129 63.340 62.300 -0.149 0.000 1.095 1006 V CB 1.198 32.822 31.823 -0.332 0.000 0.952 1006 V HN 0.452 nan 8.190 nan 0.000 0.485 1007 A N 6.998 129.714 122.820 -0.174 0.000 2.287 1007 A HA 0.489 4.808 4.320 -0.001 0.000 0.214 1007 A C 0.926 178.477 177.584 -0.055 0.000 1.228 1007 A CA 0.007 51.998 52.037 -0.077 0.000 0.939 1007 A CB 0.262 19.230 19.000 -0.053 0.000 0.992 1007 A HN 0.769 nan 8.150 nan 0.000 0.502 1008 R N -1.696 118.741 120.500 -0.105 0.000 2.634 1008 R HA 0.481 4.820 4.340 -0.001 0.000 0.263 1008 R C -2.371 173.897 176.300 -0.053 0.000 1.060 1008 R CA -0.321 55.775 56.100 -0.007 0.000 0.898 1008 R CB 1.479 31.791 30.300 0.019 0.000 1.253 1008 R HN 0.292 nan 8.270 nan 0.000 0.461 1009 c N 2.782 121.401 118.600 0.031 0.000 2.446 1009 c HA 0.595 5.164 4.570 -0.001 0.000 0.329 1009 c C -1.283 172.890 174.090 0.139 0.000 1.166 1009 c CA -0.220 56.129 56.329 0.035 0.000 1.341 1009 c CB 1.221 43.707 42.510 -0.039 0.000 1.970 1009 c HN 0.920 nan 8.230 nan 0.000 0.452 1010 E N 2.998 123.308 120.200 0.183 0.000 2.266 1010 E HA 0.438 4.788 4.350 -0.001 0.000 0.268 1010 E C -0.912 175.851 176.600 0.271 0.000 0.879 1010 E CA -0.609 55.919 56.400 0.214 0.000 0.762 1010 E CB 1.851 31.647 29.700 0.160 0.000 1.199 1010 E HN 0.629 nan 8.360 nan 0.000 0.422 1011 R N 1.646 122.288 120.500 0.236 0.000 2.340 1011 R HA 0.266 4.605 4.340 -0.001 0.000 0.300 1011 R C -0.447 175.879 176.300 0.044 0.000 1.069 1011 R CA 0.131 56.291 56.100 0.099 0.000 0.984 1011 R CB 0.547 30.876 30.300 0.049 0.000 1.003 1011 R HN 0.683 nan 8.270 nan 0.000 0.459 1012 T N -0.045 114.512 114.554 0.004 0.000 2.926 1012 T HA 0.334 4.684 4.350 -0.001 0.000 0.289 1012 T C 0.147 174.826 174.700 -0.035 0.000 1.054 1012 T CA -0.771 61.352 62.100 0.038 0.000 1.015 1012 T CB 1.438 70.403 68.868 0.161 0.000 1.167 1012 T HN 0.625 nan 8.240 nan 0.000 0.526 1013 T N 0.366 114.902 114.554 -0.028 0.000 2.856 1013 T HA 0.120 4.469 4.350 -0.001 0.000 0.329 1013 T C 1.585 176.199 174.700 -0.144 0.000 1.094 1013 T CA -0.553 61.508 62.100 -0.065 0.000 1.112 1013 T CB -0.108 68.740 68.868 -0.033 0.000 1.009 1013 T HN 0.572 nan 8.240 nan 0.000 0.550 1014 L N 1.335 122.458 121.223 -0.166 0.000 2.362 1014 L HA -0.033 4.306 4.340 -0.001 0.000 0.219 1014 L C 2.816 179.388 176.870 -0.496 0.000 1.134 1014 L CA 1.377 56.052 54.840 -0.276 0.000 0.807 1014 L CB -1.025 40.959 42.059 -0.125 0.000 0.927 1014 L HN 0.990 nan 8.230 nan 0.000 0.447 1015 T N -5.085 109.281 114.554 -0.313 0.000 3.129 1015 T HA 0.027 4.376 4.350 -0.001 0.000 0.251 1015 T C 0.764 175.352 174.700 -0.186 0.000 1.117 1015 T CA -0.222 61.728 62.100 -0.250 0.000 1.034 1015 T CB -0.100 68.749 68.868 -0.032 0.000 0.968 1015 T HN 0.198 nan 8.240 nan 0.000 0.526 1016 F N -0.786 119.176 119.950 0.020 0.000 2.794 1016 F HA -0.204 4.323 4.527 -0.001 0.000 0.335 1016 F C 1.073 176.872 175.800 -0.001 0.000 0.653 1016 F CA -0.028 57.976 58.000 0.006 0.000 1.266 1016 F CB -2.273 36.726 39.000 -0.001 0.000 1.666 1016 F HN 0.238 nan 8.300 nan 0.000 0.314 1017 L N -0.871 120.423 121.223 0.118 0.000 2.418 1017 L HA 0.052 4.391 4.340 -0.001 0.000 0.218 1017 L C 1.140 178.031 176.870 0.035 0.000 1.125 1017 L CA 1.041 55.921 54.840 0.067 0.000 0.835 1017 L CB 0.043 42.124 42.059 0.037 0.000 0.953 1017 L HN 0.342 nan 8.230 nan 0.000 0.454 1018 Q N 0.496 120.316 119.800 0.034 0.000 2.305 1018 Q HA 0.260 4.599 4.340 -0.001 0.000 0.271 1018 Q C -1.186 174.831 176.000 0.028 0.000 1.046 1018 Q CA -0.709 55.103 55.803 0.015 0.000 0.798 1018 Q CB 1.882 30.615 28.738 -0.010 0.000 1.286 1018 Q HN 0.105 nan 8.270 nan 0.000 0.435 1019 N N 4.562 123.278 118.700 0.026 0.000 2.470 1019 N HA 0.157 4.896 4.740 -0.001 0.000 0.268 1019 N C 0.355 175.882 175.510 0.027 0.000 1.136 1019 N CA 0.264 53.336 53.050 0.037 0.000 0.961 1019 N CB 1.057 39.563 38.487 0.031 0.000 1.067 1019 N HN 0.629 nan 8.380 nan 0.000 0.468 1020 L N 0.494 121.738 121.223 0.034 0.000 2.537 1020 L HA 0.290 4.630 4.340 -0.001 0.000 0.224 1020 L C 0.646 177.542 176.870 0.045 0.000 1.065 1020 L CA 0.409 55.263 54.840 0.023 0.000 0.860 1020 L CB 0.337 42.397 42.059 0.002 0.000 1.086 1020 L HN 0.520 nan 8.230 nan 0.000 0.482 1021 E N -0.310 119.936 120.200 0.076 0.000 2.321 1021 E HA 0.132 4.481 4.350 -0.001 0.000 0.281 1021 E C -1.352 175.345 176.600 0.161 0.000 0.910 1021 E CA -0.536 55.925 56.400 0.102 0.000 0.770 1021 E CB 1.579 31.331 29.700 0.087 0.000 1.225 1021 E HN 0.090 nan 8.360 nan 0.000 0.417 1022 H N 6.056 125.150 119.070 0.041 0.000 2.604 1022 H HA 0.325 4.880 4.556 -0.001 0.000 0.306 1022 H C -0.854 174.498 175.328 0.040 0.000 1.075 1022 H CA -0.555 55.515 56.048 0.037 0.000 1.357 1022 H CB 0.701 30.476 29.762 0.020 0.000 1.426 1022 H HN 0.394 nan 8.280 nan 0.000 0.470 1023 L N 5.443 126.552 121.223 -0.191 0.000 2.275 1023 L HA 0.104 4.444 4.340 -0.001 0.000 0.288 1023 L C 0.079 176.796 176.870 -0.255 0.000 1.046 1023 L CA -0.865 53.885 54.840 -0.150 0.000 0.805 1023 L CB 1.079 43.125 42.059 -0.023 0.000 1.193 1023 L HN 0.653 nan 8.230 nan 0.000 0.426 1024 D N 3.087 123.384 120.400 -0.172 0.000 2.487 1024 D HA 0.134 4.774 4.640 -0.001 0.000 0.243 1024 D C 1.205 177.458 176.300 -0.079 0.000 1.154 1024 D CA 1.209 55.131 54.000 -0.130 0.000 0.876 1024 D CB 1.128 41.885 40.800 -0.073 0.000 1.161 1024 D HN 0.841 nan 8.370 nan 0.000 0.478 1025 G N 3.093 111.857 108.800 -0.061 0.000 2.155 1025 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.257 1025 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.257 1025 G C 0.761 175.690 174.900 0.049 0.000 0.983 1025 G CA 0.376 45.474 45.100 -0.003 0.000 0.676 1025 G HN 0.642 nan 8.290 nan 0.000 0.528 1026 M N -2.621 116.969 119.600 -0.017 0.000 2.461 1026 M HA -0.187 4.292 4.480 -0.001 0.000 0.203 1026 M C 0.014 176.325 176.300 0.018 0.000 0.428 1026 M CA 0.894 56.175 55.300 -0.033 0.000 0.509 1026 M CB -1.899 30.655 32.600 -0.076 0.000 1.851 1026 M HN 0.244 nan 8.290 nan 0.000 0.834 1027 V N 0.833 120.753 119.914 0.010 0.000 2.384 1027 V HA 0.720 4.839 4.120 -0.001 0.000 0.287 1027 V C 0.626 176.648 176.094 -0.121 0.000 1.020 1027 V CA -0.409 61.891 62.300 0.001 0.000 0.850 1027 V CB 1.755 33.579 31.823 0.002 0.000 0.987 1027 V HN 0.417 nan 8.190 nan 0.000 0.436 1028 A N 8.109 130.777 122.820 -0.253 0.000 2.354 1028 A HA 0.710 5.029 4.320 -0.001 0.000 0.281 1028 A C -2.340 175.002 177.584 -0.403 0.000 1.174 1028 A CA -1.221 50.463 52.037 -0.588 0.000 0.828 1028 A CB -0.033 18.308 19.000 -1.099 0.000 1.099 1028 A HN 0.630 nan 8.150 nan 0.000 0.516 1029 P HA 0.206 nan 4.420 nan 0.000 0.272 1029 P C -0.203 177.077 177.300 -0.034 0.000 1.223 1029 P CA -0.197 62.859 63.100 -0.074 0.000 0.784 1029 P CB 0.558 32.275 31.700 0.028 0.000 0.923 1030 E N -0.122 120.076 120.200 -0.004 0.000 2.374 1030 E HA 0.273 4.623 4.350 -0.001 0.000 0.260 1030 E C 0.064 176.707 176.600 0.073 0.000 1.101 1030 E CA -0.902 55.521 56.400 0.038 0.000 0.907 1030 E CB 0.639 30.345 29.700 0.009 0.000 1.014 1030 E HN 0.291 nan 8.360 nan 0.000 0.427 1031 V N -1.061 118.903 119.914 0.083 0.000 2.997 1031 V HA 0.316 4.436 4.120 -0.001 0.000 0.311 1031 V C 0.197 176.292 176.094 0.001 0.000 1.066 1031 V CA -1.057 61.281 62.300 0.063 0.000 1.039 1031 V CB 1.146 33.014 31.823 0.076 0.000 1.081 1031 V HN 0.747 nan 8.190 nan 0.000 0.467 1032 c N 2.588 121.184 118.600 -0.007 0.000 2.595 1032 c HA 0.417 4.986 4.570 -0.001 0.000 0.384 1032 c C -2.050 171.983 174.090 -0.096 0.000 1.289 1032 c CA -0.278 56.028 56.329 -0.039 0.000 2.372 1032 c CB -0.122 42.383 42.510 -0.009 0.000 2.593 1032 c HN 0.822 nan 8.230 nan 0.000 0.639 1033 P HA 0.056 nan 4.420 nan 0.000 0.264 1033 P C 0.270 177.408 177.300 -0.270 0.000 1.193 1033 P CA 0.876 63.834 63.100 -0.238 0.000 0.763 1033 P CB 0.193 31.733 31.700 -0.267 0.000 0.810 1034 M N -1.075 118.314 119.600 -0.351 0.000 2.939 1034 M HA -0.177 4.302 4.480 -0.001 0.000 0.194 1034 M C -0.143 176.150 176.300 -0.011 0.000 0.617 1034 M CA 1.363 56.442 55.300 -0.368 0.000 0.734 1034 M CB -2.061 30.004 32.600 -0.890 0.000 2.637 1034 M HN 0.408 nan 8.290 nan 0.000 0.316 1035 E N 0.416 120.605 120.200 -0.018 0.000 2.227 1035 E HA 0.712 5.062 4.350 -0.001 0.000 0.268 1035 E C 0.093 176.763 176.600 0.116 0.000 0.990 1035 E CA -0.106 56.364 56.400 0.116 0.000 0.856 1035 E CB 1.384 31.119 29.700 0.058 0.000 1.159 1035 E HN 0.137 nan 8.360 nan 0.000 0.401 1036 T N 0.535 115.172 114.554 0.138 0.000 2.881 1036 T HA 0.682 5.031 4.350 -0.001 0.000 0.290 1036 T C -0.861 173.847 174.700 0.014 0.000 1.000 1036 T CA -0.645 61.539 62.100 0.140 0.000 0.978 1036 T CB 1.586 70.545 68.868 0.151 0.000 0.997 1036 T HN 0.516 nan 8.240 nan 0.000 0.443 1037 A N 1.932 124.763 122.820 0.019 0.000 2.469 1037 A HA 1.002 5.322 4.320 -0.001 0.000 0.299 1037 A C -0.977 176.506 177.584 -0.167 0.000 1.098 1037 A CA -0.926 51.025 52.037 -0.143 0.000 0.737 1037 A CB 1.521 20.384 19.000 -0.229 0.000 1.312 1037 A HN 1.101 nan 8.150 nan 0.000 0.414 1038 A N 0.186 122.820 122.820 -0.311 0.000 2.365 1038 A HA 0.834 5.154 4.320 -0.001 0.000 0.318 1038 A C -1.583 175.829 177.584 -0.287 0.000 1.091 1038 A CA -0.360 51.606 52.037 -0.118 0.000 0.763 1038 A CB 0.773 19.729 19.000 -0.073 0.000 1.248 1038 A HN 0.864 nan 8.150 nan 0.000 0.442 1039 Y N -0.053 120.464 120.300 0.362 0.000 2.524 1039 Y HA 0.577 5.127 4.550 -0.001 0.000 0.347 1039 Y C -0.310 175.767 175.900 0.295 0.000 1.005 1039 Y CA -0.881 57.385 58.100 0.277 0.000 1.025 1039 Y CB 2.522 41.103 38.460 0.202 0.000 1.275 1039 Y HN 0.413 nan 8.280 nan 0.000 0.460 1040 V N 2.442 122.560 119.914 0.339 0.000 2.483 1040 V HA 0.490 4.609 4.120 -0.001 0.000 0.297 1040 V C -0.709 175.466 176.094 0.134 0.000 1.027 1040 V CA -0.913 61.478 62.300 0.151 0.000 0.855 1040 V CB 1.817 33.667 31.823 0.045 0.000 0.995 1040 V HN 0.827 nan 8.190 nan 0.000 0.424 1041 S N 3.482 119.262 115.700 0.134 0.000 2.489 1041 S HA 0.721 5.191 4.470 -0.001 0.000 0.291 1041 S C -0.238 174.254 174.600 -0.179 0.000 1.151 1041 S CA -0.580 57.619 58.200 -0.002 0.000 1.082 1041 S CB 1.625 64.905 63.200 0.133 0.000 1.019 1041 S HN 0.550 nan 8.310 nan 0.000 0.492 1042 S N 2.513 117.981 115.700 -0.386 0.000 2.472 1042 S HA 0.521 4.990 4.470 -0.001 0.000 0.303 1042 S C -0.893 173.342 174.600 -0.608 0.000 1.099 1042 S CA -0.770 57.238 58.200 -0.321 0.000 1.077 1042 S CB 0.481 63.594 63.200 -0.145 0.000 1.031 1042 S HN 0.787 nan 8.310 nan 0.000 0.487 1043 H N 0.935 119.997 119.070 -0.013 0.000 2.667 1043 H HA 0.269 4.825 4.556 -0.001 0.000 0.353 1043 H C 0.329 175.656 175.328 -0.003 0.000 1.072 1043 H CA -0.562 55.481 56.048 -0.007 0.000 1.214 1043 H CB 1.759 31.520 29.762 -0.002 0.000 1.600 1043 H HN 0.663 nan 8.280 nan 0.000 0.527 1044 S N 1.080 116.833 115.700 0.088 0.000 2.528 1044 S HA 0.167 4.636 4.470 -0.001 0.000 0.219 1044 S C 0.679 175.314 174.600 0.058 0.000 0.985 1044 S CA -0.043 58.188 58.200 0.052 0.000 0.914 1044 S CB 0.475 63.693 63.200 0.031 0.000 0.776 1044 S HN 0.383 nan 8.310 nan 0.000 0.526 1045 S N 0.000 115.748 115.700 0.080 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.234 58.200 0.057 0.000 1.107 1045 S CB 0.000 63.228 63.200 0.047 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517