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 3d4z_1_A DATA FIRST_RESID 30 DATA SEQUENCE QcQDVVQDVP NVDVQMLELY DRMSFKDIDG GVWKQGWNIK YDPLKYNAHH DATA SEQUENCE KLKVFVVPHS HNDPGWIQTF EEYYQHDTKH ILSNALRHLH DNPEMKFIWA DATA SEQUENCE EISYFARFYH DLGENKKLQM KSIVKNGQLE FVTGGWVMPD EANSHWRNVL DATA SEQUENCE LQLTEGQTWL KQFMNVTPTA SWAIDPFGHS PTMPYILQKS GFKNMLIQRT DATA SEQUENCE HYSVKKELAQ QRQLEFLWRQ IWDNKGDTAL FTHMMPFYSY DIPHTcGPDP DATA SEQUENCE KVccQFDFKR MGSFGLScPW KVPPRTISDQ NVAARSDLLV DQWKKKAELY DATA SEQUENCE RTNVLLIPLG DDFRFKQNTE WDVQRVNYER LFEHINSQAH FNVQAQFGTL DATA SEQUENCE QEYFDAVHQA ERAGQAEFPT LSGDFFTYAD RSDNYWSGYY TSRPYHKRMD DATA SEQUENCE RVLMHYVRAA EMLSAWHSWD GMARIEERLE QARRELSLFQ HHDGITGTAK DATA SEQUENCE THVVVDYEQR MQEALKACQM VMQQSVYRLL TKPSIYSPDF SFSYFTLDDS DATA SEQUENCE RWPGSGVEDS RTTIILGEDI LPSKHVVMHN TLPHWREQLV DFYVSSPFVS DATA SEQUENCE VTDLANNPVE AQVSPVWSWH HDTLTKTIHP QGSTTKYRII FKARVPPMGL DATA SEQUENCE ATYVLTISDS KPEHTSYASN LLLRKNPTSL PLGQYPEDVK FGDPREISLR DATA SEQUENCE VGNGPTLAFS EQGLLKSIQL TQDSPHVPVH FKFLKYGVRS HGDRSGAYLF DATA SEQUENCE LPNGPASPVE LGQPVVLVTK GKLESSVSVG LPSVVHQTIM RGGAPEIRNL DATA SEQUENCE VDIGSLDNTE IVMRLETHID SGDIFYTDLN GLQFIKRRRL DKLPLQANYY DATA SEQUENCE PIPSGMFIED ANTRLTLLTG QPLGGSSLAS GELEIMQDRR LASDDERGLG DATA SEQUENCE QGVLDNKPVL HIYRLVLEKV NNcVRPSKLH PAGYLTSAAH KASQSLLDPL DATA SEQUENCE DKFIFAENEW IGAQGQFGGD HPSAREDLDV SVMRRLTKSS AKTQRVGYVL DATA SEQUENCE HRTNLMQcGT PEEHTQKLDV cHLLPNVARc ERTTLTFLQN LEHLDGMVAP DATA SEQUENCE EVcPMETAAY VSSHSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 176.007 176.000 0.012 0.000 1.003 30 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 30 Q CB 0.000 28.738 28.738 -0.001 0.000 1.108 31 c N 2.985 121.588 118.600 0.004 0.000 2.657 31 c HA 0.471 5.041 4.570 -0.001 0.000 0.420 31 c C 0.798 174.900 174.090 0.020 0.000 1.323 31 c CA -0.169 56.166 56.329 0.009 0.000 1.894 31 c CB -0.116 42.385 42.510 -0.013 0.000 2.681 31 c HN 0.694 nan 8.230 nan 0.000 0.613 32 Q N 1.583 121.412 119.800 0.047 0.000 2.364 32 Q HA 0.065 4.404 4.340 -0.001 0.000 0.267 32 Q C 0.057 176.088 176.000 0.052 0.000 0.999 32 Q CA 0.179 56.024 55.803 0.069 0.000 0.886 32 Q CB 0.509 29.324 28.738 0.129 0.000 1.243 32 Q HN 0.627 nan 8.270 nan 0.000 0.415 33 D N 1.799 122.228 120.400 0.049 0.000 2.339 33 D HA 0.027 4.667 4.640 -0.001 0.000 0.256 33 D C 0.494 176.840 176.300 0.077 0.000 1.214 33 D CA -0.106 53.907 54.000 0.021 0.000 0.877 33 D CB 1.145 41.957 40.800 0.020 0.000 1.111 33 D HN 0.394 nan 8.370 nan 0.000 0.478 34 V N 2.202 122.114 119.914 -0.003 0.000 3.647 34 V HA 0.086 4.205 4.120 -0.001 0.000 0.279 34 V C 1.164 177.301 176.094 0.072 0.000 1.314 34 V CA 0.080 62.443 62.300 0.104 0.000 1.125 34 V CB 0.271 31.984 31.823 -0.184 0.000 0.907 34 V HN 0.379 nan 8.190 nan 0.000 0.434 35 V N -0.055 119.815 119.914 -0.073 0.000 2.908 35 V HA 0.106 4.226 4.120 -0.001 0.000 0.240 35 V C 2.285 178.347 176.094 -0.054 0.000 1.117 35 V CA 1.250 63.457 62.300 -0.155 0.000 1.133 35 V CB 0.094 31.783 31.823 -0.223 0.000 0.857 35 V HN 0.479 nan 8.190 nan 0.000 0.478 36 Q N -0.433 119.390 119.800 0.038 0.000 2.319 36 Q HA 0.123 4.463 4.340 -0.001 0.000 0.209 36 Q C -0.469 175.613 176.000 0.137 0.000 0.884 36 Q CA 0.204 56.049 55.803 0.069 0.000 0.938 36 Q CB 0.657 29.411 28.738 0.026 0.000 1.098 36 Q HN 0.493 nan 8.270 nan 0.000 0.517 37 D N 1.226 121.739 120.400 0.188 0.000 2.392 37 D HA 0.166 4.806 4.640 -0.001 0.000 0.228 37 D C -0.693 175.728 176.300 0.201 0.000 1.074 37 D CA -0.216 53.882 54.000 0.163 0.000 0.838 37 D CB 2.047 42.921 40.800 0.124 0.000 1.067 37 D HN -0.168 nan 8.370 nan 0.000 0.511 38 V N 4.742 124.740 119.914 0.140 0.000 2.439 38 V HA 0.143 4.262 4.120 -0.001 0.000 0.271 38 V C -1.834 174.244 176.094 -0.028 0.000 1.040 38 V CA -1.209 61.099 62.300 0.013 0.000 1.002 38 V CB 0.437 32.270 31.823 0.018 0.000 1.000 38 V HN 0.317 nan 8.190 nan 0.000 0.477 39 P HA 0.080 nan 4.420 nan 0.000 0.266 39 P C -0.403 176.870 177.300 -0.045 0.000 1.195 39 P CA -0.134 62.938 63.100 -0.047 0.000 0.768 39 P CB 0.340 31.994 31.700 -0.076 0.000 0.838 40 N N 2.661 121.350 118.700 -0.019 0.000 2.420 40 N HA 0.335 5.074 4.740 -0.001 0.000 0.249 40 N C -1.015 174.487 175.510 -0.013 0.000 1.033 40 N CA -0.393 52.648 53.050 -0.014 0.000 0.944 40 N CB 0.123 38.610 38.487 -0.000 0.000 1.113 40 N HN 0.136 nan 8.380 nan 0.000 0.502 41 V N 0.459 120.358 119.914 -0.024 0.000 3.001 41 V HA 0.543 4.663 4.120 -0.001 0.000 0.314 41 V C 0.490 176.571 176.094 -0.022 0.000 1.099 41 V CA -0.742 61.546 62.300 -0.019 0.000 0.989 41 V CB 2.069 33.871 31.823 -0.035 0.000 1.040 41 V HN 0.399 nan 8.190 nan 0.000 0.434 42 D N 0.832 121.225 120.400 -0.011 0.000 2.149 42 D HA 0.042 4.682 4.640 -0.001 0.000 0.201 42 D C 0.509 176.779 176.300 -0.050 0.000 0.972 42 D CA 1.564 55.554 54.000 -0.017 0.000 0.835 42 D CB 0.493 41.299 40.800 0.010 0.000 0.966 42 D HN 0.423 nan 8.370 nan 0.000 0.476 43 V N 1.579 121.442 119.914 -0.085 0.000 2.483 43 V HA 0.222 4.342 4.120 -0.001 0.000 0.297 43 V C -0.326 175.675 176.094 -0.155 0.000 1.027 43 V CA -0.747 61.473 62.300 -0.134 0.000 0.855 43 V CB 2.351 34.049 31.823 -0.208 0.000 0.995 43 V HN -0.085 nan 8.190 nan 0.000 0.424 44 Q N 4.584 124.305 119.800 -0.132 0.000 2.341 44 Q HA 0.437 4.776 4.340 -0.001 0.000 0.268 44 Q C 0.382 176.289 176.000 -0.156 0.000 1.013 44 Q CA -0.686 55.032 55.803 -0.142 0.000 0.798 44 Q CB 1.890 30.564 28.738 -0.106 0.000 1.253 44 Q HN 0.671 nan 8.270 nan 0.000 0.457 45 M N 3.078 122.539 119.600 -0.231 0.000 2.213 45 M HA -0.146 4.333 4.480 -0.001 0.000 0.263 45 M C 1.585 177.781 176.300 -0.173 0.000 1.062 45 M CA 0.892 56.043 55.300 -0.247 0.000 1.105 45 M CB -0.774 31.547 32.600 -0.464 0.000 1.385 45 M HN 0.566 nan 8.290 nan 0.000 0.417 46 L N 0.674 121.790 121.223 -0.177 0.000 2.056 46 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 46 L C 2.456 179.316 176.870 -0.017 0.000 1.078 46 L CA 1.802 56.567 54.840 -0.124 0.000 0.749 46 L CB -0.640 41.323 42.059 -0.159 0.000 0.901 46 L HN 0.269 nan 8.230 nan 0.000 0.433 47 E N -0.409 119.769 120.200 -0.037 0.000 2.072 47 E HA -0.228 4.122 4.350 -0.001 0.000 0.191 47 E C 2.197 178.809 176.600 0.021 0.000 0.985 47 E CA 1.375 57.768 56.400 -0.011 0.000 0.801 47 E CB -0.235 29.445 29.700 -0.034 0.000 0.750 47 E HN 0.453 nan 8.360 nan 0.000 0.452 48 L N 0.467 121.703 121.223 0.022 0.000 2.012 48 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 48 L C 2.281 179.222 176.870 0.120 0.000 1.073 48 L CA 1.693 56.555 54.840 0.037 0.000 0.748 48 L CB -0.948 41.119 42.059 0.014 0.000 0.891 48 L HN 0.119 nan 8.230 nan 0.000 0.431 49 Y N -0.007 120.296 120.300 0.004 0.000 2.207 49 Y HA -0.268 4.282 4.550 -0.001 0.000 0.287 49 Y C 2.538 178.526 175.900 0.145 0.000 1.156 49 Y CA 1.861 60.047 58.100 0.142 0.000 1.182 49 Y CB -0.621 37.922 38.460 0.139 0.000 0.979 49 Y HN 0.381 nan 8.280 nan 0.000 0.521 50 D N -0.387 120.127 120.400 0.190 0.000 2.178 50 D HA -0.143 4.496 4.640 -0.001 0.000 0.202 50 D C 2.085 178.424 176.300 0.065 0.000 0.974 50 D CA 1.253 55.318 54.000 0.107 0.000 0.841 50 D CB -0.010 40.827 40.800 0.061 0.000 0.953 50 D HN 0.501 nan 8.370 nan 0.000 0.478 51 R N -1.006 119.514 120.500 0.033 0.000 2.223 51 R HA 0.197 4.537 4.340 -0.001 0.000 0.198 51 R C 0.929 177.201 176.300 -0.047 0.000 0.984 51 R CA -0.162 55.934 56.100 -0.007 0.000 1.018 51 R CB -0.189 30.098 30.300 -0.021 0.000 0.945 51 R HN 0.102 nan 8.270 nan 0.000 0.479 52 M N 1.751 121.292 119.600 -0.098 0.000 2.248 52 M HA -0.012 4.468 4.480 -0.001 0.000 0.337 52 M C 1.347 177.532 176.300 -0.192 0.000 1.121 52 M CA 0.198 55.337 55.300 -0.268 0.000 1.155 52 M CB 1.580 33.793 32.600 -0.644 0.000 1.514 52 M HN 0.243 nan 8.290 nan 0.000 0.452 53 S N 2.296 117.865 115.700 -0.218 0.000 2.439 53 S HA -0.003 4.467 4.470 -0.001 0.000 0.224 53 S C 0.809 175.469 174.600 0.100 0.000 1.029 53 S CA 0.466 58.639 58.200 -0.044 0.000 0.946 53 S CB -0.135 63.038 63.200 -0.045 0.000 0.797 53 S HN 0.779 nan 8.310 nan 0.000 0.504 54 F N 0.050 119.924 119.950 -0.126 0.000 2.914 54 F HA -0.148 4.378 4.527 -0.001 0.000 0.304 54 F C 0.273 176.084 175.800 0.019 0.000 0.712 54 F CA 0.614 58.548 58.000 -0.110 0.000 1.211 54 F CB -1.834 37.077 39.000 -0.148 0.000 1.515 54 F HN 0.126 nan 8.300 nan 0.000 0.350 55 K N 1.435 121.914 120.400 0.130 0.000 2.401 55 K HA 0.130 4.450 4.320 -0.001 0.000 0.278 55 K C 0.189 176.896 176.600 0.178 0.000 1.018 55 K CA 0.041 56.409 56.287 0.135 0.000 0.981 55 K CB 0.434 32.976 32.500 0.070 0.000 0.933 55 K HN 0.077 nan 8.250 nan 0.000 0.477 56 D N 3.764 124.282 120.400 0.197 0.000 2.518 56 D HA 0.177 4.816 4.640 -0.001 0.000 0.230 56 D C -0.225 176.123 176.300 0.079 0.000 1.138 56 D CA -0.469 53.653 54.000 0.204 0.000 0.964 56 D CB -0.384 40.545 40.800 0.216 0.000 1.011 56 D HN 0.420 nan 8.370 nan 0.000 0.517 57 I N -0.991 119.614 120.570 0.057 0.000 2.607 57 I HA 0.496 4.665 4.170 -0.001 0.000 0.305 57 I C 0.071 176.180 176.117 -0.014 0.000 0.995 57 I CA -1.115 60.194 61.300 0.017 0.000 1.148 57 I CB 1.674 39.684 38.000 0.017 0.000 1.323 57 I HN -0.051 nan 8.210 nan 0.000 0.461 58 D N 3.788 124.178 120.400 -0.015 0.000 2.346 58 D HA 0.177 4.816 4.640 -0.001 0.000 0.260 58 D C 0.941 177.230 176.300 -0.018 0.000 1.252 58 D CA 0.117 54.102 54.000 -0.024 0.000 0.895 58 D CB 1.537 42.330 40.800 -0.013 0.000 1.097 58 D HN 0.833 nan 8.370 nan 0.000 0.489 59 G N 2.347 111.121 108.800 -0.043 0.000 3.042 59 G HA2 0.439 4.399 3.960 -0.001 0.000 0.212 59 G HA3 0.439 4.399 3.960 -0.001 0.000 0.212 59 G C 0.875 175.781 174.900 0.010 0.000 1.166 59 G CA 0.392 45.469 45.100 -0.037 0.000 0.767 59 G HN 0.913 nan 8.290 nan 0.000 0.546 60 G N -0.537 108.273 108.800 0.017 0.000 2.445 60 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.212 60 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.212 60 G C 1.195 176.120 174.900 0.041 0.000 1.217 60 G CA 0.664 45.785 45.100 0.035 0.000 1.002 60 G HN 1.102 nan 8.290 nan 0.000 0.574 61 V N -3.553 116.383 119.914 0.037 0.000 2.392 61 V HA 0.074 4.193 4.120 -0.001 0.000 0.249 61 V C 1.454 177.577 176.094 0.049 0.000 1.059 61 V CA 2.409 64.714 62.300 0.007 0.000 1.051 61 V CB -0.575 31.215 31.823 -0.054 0.000 0.658 61 V HN 1.418 nan 8.190 nan 0.000 0.455 62 W N 2.705 123.913 121.300 -0.154 0.000 2.422 62 W HA 0.427 5.086 4.660 -0.001 0.000 0.349 62 W C 1.147 177.629 176.519 -0.062 0.000 1.062 62 W CA -1.751 55.496 57.345 -0.163 0.000 1.497 62 W CB 0.228 29.554 29.460 -0.224 0.000 1.407 62 W HN 0.062 nan 8.180 nan 0.000 0.393 63 K N 2.800 123.296 120.400 0.159 0.000 2.147 63 K HA -0.174 4.145 4.320 -0.001 0.000 0.205 63 K C 0.862 177.387 176.600 -0.125 0.000 1.049 63 K CA 1.429 57.714 56.287 -0.003 0.000 0.936 63 K CB 0.144 32.633 32.500 -0.018 0.000 0.722 63 K HN 0.560 nan 8.250 nan 0.000 0.446 64 Q N -0.654 119.029 119.800 -0.195 0.000 2.198 64 Q HA 0.148 4.488 4.340 -0.001 0.000 0.209 64 Q C 0.809 176.445 176.000 -0.606 0.000 0.848 64 Q CA -0.320 55.340 55.803 -0.239 0.000 0.974 64 Q CB 1.288 30.020 28.738 -0.009 0.000 1.115 64 Q HN 0.242 nan 8.270 nan 0.000 0.494 65 G N 0.525 108.551 108.800 -1.290 0.000 3.364 65 G HA2 0.509 4.468 3.960 -0.001 0.000 0.191 65 G HA3 0.509 4.468 3.960 -0.001 0.000 0.191 65 G C -1.439 173.162 174.900 -0.498 0.000 1.352 65 G CA -0.294 43.775 45.100 -1.718 0.000 0.758 65 G HN 0.354 nan 8.290 nan 0.000 0.730 66 W N -1.304 119.727 121.300 -0.448 0.000 2.988 66 W HA 0.643 5.303 4.660 -0.000 0.000 0.355 66 W C -1.494 175.122 176.519 0.161 0.000 1.233 66 W CA -1.155 56.145 57.345 -0.074 0.000 1.176 66 W CB 0.675 30.101 29.460 -0.058 0.000 1.477 66 W HN 0.181 nan 8.180 nan 0.000 0.582 67 N N 2.164 121.017 118.700 0.255 0.000 2.402 67 N HA 0.217 4.956 4.740 -0.001 0.000 0.259 67 N C -0.293 175.341 175.510 0.206 0.000 1.167 67 N CA 0.031 53.180 53.050 0.165 0.000 0.949 67 N CB 0.223 38.812 38.487 0.169 0.000 1.212 67 N HN 0.404 nan 8.380 nan 0.000 0.493 68 I N 1.984 122.574 120.570 0.034 0.000 2.588 68 I HA 0.020 4.190 4.170 -0.001 0.000 0.283 68 I C 0.803 177.070 176.117 0.250 0.000 1.119 68 I CA 0.257 61.653 61.300 0.161 0.000 1.419 68 I CB 0.505 38.540 38.000 0.058 0.000 1.394 68 I HN 0.108 nan 8.210 nan 0.000 0.562 69 K N 6.145 126.732 120.400 0.312 0.000 2.259 69 K HA 0.585 4.905 4.320 -0.001 0.000 0.249 69 K C -1.319 175.436 176.600 0.260 0.000 0.942 69 K CA -0.708 55.696 56.287 0.194 0.000 0.816 69 K CB 2.217 34.799 32.500 0.136 0.000 1.155 69 K HN 0.491 nan 8.250 nan 0.000 0.428 70 Y N -1.891 118.491 120.300 0.135 0.000 2.581 70 Y HA 0.438 4.988 4.550 -0.001 0.000 0.345 70 Y C -1.042 174.919 175.900 0.101 0.000 1.036 70 Y CA -1.536 56.642 58.100 0.130 0.000 1.042 70 Y CB 1.203 39.757 38.460 0.157 0.000 1.289 70 Y HN 0.391 nan 8.280 nan 0.000 0.471 71 D N 3.764 124.303 120.400 0.232 0.000 2.313 71 D HA 0.277 4.916 4.640 -0.001 0.000 0.239 71 D C -1.654 174.785 176.300 0.232 0.000 1.142 71 D CA -2.720 51.356 54.000 0.126 0.000 0.847 71 D CB 1.616 42.465 40.800 0.081 0.000 1.082 71 D HN 0.435 nan 8.370 nan 0.000 0.480 72 P HA -0.126 nan 4.420 nan 0.000 0.219 72 P C 1.409 178.834 177.300 0.208 0.000 1.146 72 P CA 0.746 64.013 63.100 0.279 0.000 0.808 72 P CB 0.364 32.163 31.700 0.164 0.000 0.779 73 L N -0.603 120.694 121.223 0.123 0.000 2.599 73 L HA 0.061 4.400 4.340 -0.001 0.000 0.230 73 L C 2.657 179.554 176.870 0.044 0.000 1.141 73 L CA 0.434 55.323 54.840 0.081 0.000 0.877 73 L CB -0.664 41.425 42.059 0.050 0.000 1.009 73 L HN -0.015 nan 8.230 nan 0.000 0.447 74 K N 0.436 120.842 120.400 0.011 0.000 2.057 74 K HA -0.141 4.178 4.320 -0.001 0.000 0.207 74 K C -0.078 176.376 176.600 -0.245 0.000 1.049 74 K CA 1.120 57.299 56.287 -0.180 0.000 0.931 74 K CB 0.107 32.426 32.500 -0.301 0.000 0.714 74 K HN 0.063 nan 8.250 nan 0.000 0.440 75 Y N 0.844 121.253 120.300 0.181 0.000 2.361 75 Y HA 0.254 4.803 4.550 -0.000 0.000 0.332 75 Y C -0.001 175.949 175.900 0.084 0.000 1.101 75 Y CA -1.005 57.190 58.100 0.159 0.000 1.137 75 Y CB 1.397 39.908 38.460 0.084 0.000 1.207 75 Y HN 0.298 nan 8.280 nan 0.000 0.463 76 N N -0.779 118.030 118.700 0.182 0.000 3.277 76 N HA 0.529 5.268 4.740 -0.001 0.000 0.278 76 N C 0.071 175.504 175.510 -0.128 0.000 1.544 76 N CA -0.414 52.632 53.050 -0.007 0.000 0.869 76 N CB 0.439 38.880 38.487 -0.076 0.000 1.584 76 N HN 0.468 nan 8.380 nan 0.000 0.564 77 A N -0.954 121.665 122.820 -0.336 0.000 1.948 77 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 77 A C 0.872 178.294 177.584 -0.270 0.000 1.177 77 A CA 1.642 53.484 52.037 -0.326 0.000 0.636 77 A CB -1.199 17.596 19.000 -0.342 0.000 0.815 77 A HN 0.738 nan 8.150 nan 0.000 0.449 78 H N -2.693 116.437 119.070 0.100 0.000 2.517 78 H HA 0.278 4.834 4.556 -0.001 0.000 0.282 78 H C -0.365 175.076 175.328 0.188 0.000 1.023 78 H CA 0.631 56.743 56.048 0.106 0.000 1.169 78 H CB -0.344 29.469 29.762 0.085 0.000 1.454 78 H HN 0.752 nan 8.280 nan 0.000 0.556 79 H N 0.360 119.469 119.070 0.066 0.000 3.006 79 H HA 0.287 4.842 4.556 -0.000 0.000 0.304 79 H C -1.004 174.451 175.328 0.211 0.000 1.403 79 H CA -0.418 55.712 56.048 0.137 0.000 1.615 79 H CB 0.346 30.190 29.762 0.135 0.000 1.935 79 H HN 0.011 nan 8.280 nan 0.000 0.626 80 K N 2.267 122.602 120.400 -0.108 0.000 2.095 80 K HA 0.360 4.679 4.320 -0.001 0.000 0.252 80 K C -0.748 175.611 176.600 -0.401 0.000 0.977 80 K CA -1.314 54.879 56.287 -0.157 0.000 0.900 80 K CB 1.840 34.254 32.500 -0.143 0.000 1.060 80 K HN 0.213 nan 8.250 nan 0.000 0.449 81 L N 2.645 123.498 121.223 -0.616 0.000 2.278 81 L HA 0.150 4.489 4.340 -0.001 0.000 0.287 81 L C -0.788 175.793 176.870 -0.482 0.000 1.072 81 L CA 0.293 54.661 54.840 -0.786 0.000 0.819 81 L CB 0.159 41.615 42.059 -1.004 0.000 1.176 81 L HN 0.376 nan 8.230 nan 0.000 0.435 82 K N 5.007 125.158 120.400 -0.414 0.000 2.248 82 K HA 0.482 4.801 4.320 -0.001 0.000 0.281 82 K C -1.147 175.115 176.600 -0.563 0.000 1.054 82 K CA -0.651 55.359 56.287 -0.462 0.000 0.903 82 K CB 1.640 33.930 32.500 -0.350 0.000 1.077 82 K HN 0.384 nan 8.250 nan 0.000 0.474 83 V N 4.697 124.154 119.914 -0.762 0.000 2.409 83 V HA 0.355 4.475 4.120 -0.001 0.000 0.291 83 V C -0.824 174.700 176.094 -0.950 0.000 1.020 83 V CA -0.816 60.989 62.300 -0.826 0.000 0.848 83 V CB 0.634 31.803 31.823 -1.090 0.000 0.990 83 V HN 0.541 nan 8.190 nan 0.000 0.430 84 F N 3.683 123.376 119.950 -0.429 0.000 2.361 84 F HA 0.500 5.026 4.527 -0.001 0.000 0.364 84 F C 0.185 175.795 175.800 -0.317 0.000 1.117 84 F CA -0.683 57.120 58.000 -0.328 0.000 1.071 84 F CB 1.769 40.647 39.000 -0.203 0.000 1.188 84 F HN 0.190 nan 8.300 nan 0.000 0.464 85 V N 5.129 124.988 119.914 -0.091 0.000 2.385 85 V HA 0.285 4.405 4.120 -0.001 0.000 0.269 85 V C -0.187 175.993 176.094 0.143 0.000 1.043 85 V CA -0.610 61.703 62.300 0.022 0.000 0.906 85 V CB 1.236 33.151 31.823 0.152 0.000 0.995 85 V HN 0.423 nan 8.190 nan 0.000 0.467 86 V N 8.401 128.352 119.914 0.063 0.000 2.275 86 V HA 0.309 4.429 4.120 -0.001 0.000 0.272 86 V C -2.364 173.758 176.094 0.046 0.000 1.028 86 V CA -1.938 60.366 62.300 0.007 0.000 0.810 86 V CB 1.411 33.149 31.823 -0.142 0.000 1.043 86 V HN 0.725 nan 8.190 nan 0.000 0.453 87 P HA 0.314 nan 4.420 nan 0.000 0.271 87 P C -0.821 176.469 177.300 -0.016 0.000 1.216 87 P CA 0.292 63.347 63.100 -0.075 0.000 0.771 87 P CB 0.340 31.777 31.700 -0.439 0.000 0.864 88 H N -0.969 118.103 119.070 0.002 0.000 2.990 88 H HA 0.801 5.356 4.556 -0.001 0.000 0.336 88 H C -1.466 173.983 175.328 0.200 0.000 1.306 88 H CA -1.142 54.827 56.048 -0.132 0.000 1.118 88 H CB 1.003 30.619 29.762 -0.243 0.000 1.856 88 H HN 0.196 nan 8.280 nan 0.000 0.538 89 S N 0.640 116.369 115.700 0.047 0.000 2.750 89 S HA 0.198 4.668 4.470 -0.001 0.000 0.276 89 S C -1.865 172.664 174.600 -0.118 0.000 1.165 89 S CA -0.660 57.596 58.200 0.093 0.000 1.047 89 S CB 0.122 63.554 63.200 0.387 0.000 1.056 89 S HN 0.838 nan 8.310 nan 0.000 0.481 90 H N 4.389 123.359 119.070 -0.167 0.000 2.800 90 H HA 0.412 4.968 4.556 -0.001 0.000 0.291 90 H C -0.089 174.843 175.328 -0.660 0.000 1.076 90 H CA 0.347 56.204 56.048 -0.318 0.000 1.452 90 H CB 0.230 29.829 29.762 -0.273 0.000 1.461 90 H HN 0.566 nan 8.280 nan 0.000 0.488 91 N N 5.467 123.507 118.700 -1.100 0.000 2.564 91 N HA 0.046 4.785 4.740 -0.001 0.000 0.248 91 N C -1.149 173.902 175.510 -0.764 0.000 0.986 91 N CA -0.627 51.657 53.050 -1.277 0.000 0.921 91 N CB 0.947 38.975 38.487 -0.765 0.000 1.136 91 N HN 0.640 nan 8.380 nan 0.000 0.509 92 D N 2.670 122.650 120.400 -0.700 0.000 2.382 92 D HA 0.081 4.720 4.640 -0.001 0.000 0.259 92 D C -2.034 174.311 176.300 0.076 0.000 1.224 92 D CA -0.896 52.975 54.000 -0.215 0.000 0.894 92 D CB 1.184 42.142 40.800 0.264 0.000 1.127 92 D HN 0.219 nan 8.370 nan 0.000 0.487 93 P HA 0.206 nan 4.420 nan 0.000 0.230 93 P C 0.015 177.518 177.300 0.339 0.000 1.791 93 P CA -0.049 63.043 63.100 -0.013 0.000 1.020 93 P CB 0.206 31.760 31.700 -0.242 0.000 1.977 94 G N 0.485 109.671 108.800 0.644 0.000 2.911 94 G HA2 0.020 3.980 3.960 -0.001 0.000 0.686 94 G HA3 0.020 3.980 3.960 -0.001 0.000 0.686 94 G C -1.077 174.374 174.900 0.918 0.000 1.136 94 G CA -0.565 44.942 45.100 0.679 0.000 0.764 94 G HN 0.375 nan 8.290 nan 0.000 0.626 95 W N 1.898 123.542 121.300 0.574 0.000 4.489 95 W HA 0.211 4.870 4.660 -0.001 0.000 0.161 95 W C 1.585 178.292 176.519 0.313 0.000 3.472 95 W CA 1.241 58.894 57.345 0.514 0.000 1.144 95 W CB -0.861 28.985 29.460 0.642 0.000 2.110 95 W HN 1.000 nan 8.180 nan 0.000 0.358 96 I N 1.009 121.523 120.570 -0.094 0.000 3.883 96 I HA 0.360 4.530 4.170 -0.001 0.000 0.326 96 I C 0.084 176.069 176.117 -0.219 0.000 1.283 96 I CA 0.342 61.431 61.300 -0.351 0.000 1.161 96 I CB 0.014 37.657 38.000 -0.595 0.000 1.012 96 I HN -0.016 nan 8.210 nan 0.000 0.421 97 Q N 1.604 121.133 119.800 -0.452 0.000 2.433 97 Q HA 0.393 4.733 4.340 -0.001 0.000 0.279 97 Q C -0.257 175.489 176.000 -0.423 0.000 1.105 97 Q CA -0.829 54.641 55.803 -0.554 0.000 0.815 97 Q CB 2.180 30.306 28.738 -1.020 0.000 1.403 97 Q HN 0.345 nan 8.270 nan 0.000 0.435 98 T N -2.055 112.368 114.554 -0.220 0.000 2.766 98 T HA 0.092 4.442 4.350 -0.001 0.000 0.295 98 T C 0.816 175.593 174.700 0.129 0.000 1.024 98 T CA -0.412 61.636 62.100 -0.087 0.000 1.018 98 T CB 0.306 69.157 68.868 -0.027 0.000 1.002 98 T HN 0.574 nan 8.240 nan 0.000 0.532 99 F N 1.208 121.226 119.950 0.114 0.000 2.063 99 F HA -0.157 4.369 4.527 -0.001 0.000 0.298 99 F C 2.477 178.462 175.800 0.310 0.000 1.109 99 F CA 2.411 60.558 58.000 0.246 0.000 1.212 99 F CB -0.364 38.676 39.000 0.067 0.000 0.973 99 F HN 0.783 nan 8.300 nan 0.000 0.480 100 E N 0.361 120.761 120.200 0.333 0.000 2.106 100 E HA -0.172 4.177 4.350 -0.001 0.000 0.192 100 E C 2.008 178.653 176.600 0.075 0.000 0.984 100 E CA 1.677 58.216 56.400 0.233 0.000 0.806 100 E CB -0.283 29.556 29.700 0.232 0.000 0.750 100 E HN 0.615 nan 8.360 nan 0.000 0.458 101 E N -0.970 119.209 120.200 -0.036 0.000 2.051 101 E HA -0.203 4.147 4.350 -0.001 0.000 0.192 101 E C 1.809 178.198 176.600 -0.351 0.000 0.991 101 E CA 1.248 57.459 56.400 -0.313 0.000 0.799 101 E CB -0.255 29.314 29.700 -0.218 0.000 0.748 101 E HN 0.347 nan 8.360 nan 0.000 0.449 102 Y N -0.626 119.622 120.300 -0.087 0.000 2.242 102 Y HA -0.229 4.320 4.550 -0.001 0.000 0.291 102 Y C 2.156 177.988 175.900 -0.113 0.000 1.137 102 Y CA 1.030 59.064 58.100 -0.110 0.000 1.181 102 Y CB -0.691 37.792 38.460 0.040 0.000 0.989 102 Y HN 0.192 nan 8.280 nan 0.000 0.527 103 Y N 0.837 121.148 120.300 0.018 0.000 2.181 103 Y HA -0.272 4.278 4.550 -0.001 0.000 0.288 103 Y C 2.234 178.097 175.900 -0.061 0.000 1.146 103 Y CA 1.844 59.907 58.100 -0.062 0.000 1.164 103 Y CB -0.266 38.155 38.460 -0.065 0.000 0.982 103 Y HN 0.046 nan 8.280 nan 0.000 0.515 104 Q N -0.757 118.947 119.800 -0.159 0.000 2.123 104 Q HA -0.144 4.196 4.340 -0.001 0.000 0.199 104 Q C 2.078 178.053 176.000 -0.041 0.000 0.966 104 Q CA 2.010 57.692 55.803 -0.201 0.000 0.845 104 Q CB -0.506 28.165 28.738 -0.112 0.000 0.907 104 Q HN 0.771 nan 8.270 nan 0.000 0.439 105 H N -0.629 118.454 119.070 0.021 0.000 2.482 105 H HA 0.040 4.596 4.556 -0.001 0.000 0.286 105 H C 0.909 176.322 175.328 0.143 0.000 1.017 105 H CA 0.637 56.731 56.048 0.076 0.000 1.322 105 H CB 0.680 30.453 29.762 0.018 0.000 1.426 105 H HN 0.199 nan 8.280 nan 0.000 0.546 106 D N -1.094 119.409 120.400 0.171 0.000 3.081 106 D HA 0.011 4.651 4.640 -0.001 0.000 0.243 106 D C 1.748 178.101 176.300 0.090 0.000 1.388 106 D CA 0.511 54.595 54.000 0.141 0.000 1.245 106 D CB -0.042 40.718 40.800 -0.066 0.000 1.319 106 D HN 0.052 nan 8.370 nan 0.000 0.377 107 T N 2.462 116.985 114.554 -0.052 0.000 2.821 107 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 107 T C 1.927 176.469 174.700 -0.263 0.000 1.046 107 T CA 1.397 63.438 62.100 -0.098 0.000 1.139 107 T CB -0.057 68.599 68.868 -0.352 0.000 0.871 107 T HN 0.245 nan 8.240 nan 0.000 0.454 108 K N 0.750 120.800 120.400 -0.584 0.000 2.148 108 K HA -0.143 4.177 4.320 -0.001 0.000 0.204 108 K C 1.915 178.275 176.600 -0.399 0.000 1.050 108 K CA 1.383 57.309 56.287 -0.600 0.000 0.942 108 K CB -0.362 31.549 32.500 -0.981 0.000 0.724 108 K HN 0.390 nan 8.250 nan 0.000 0.446 109 H N 1.009 120.013 119.070 -0.111 0.000 2.395 109 H HA 0.058 4.614 4.556 -0.001 0.000 0.299 109 H C 2.277 177.622 175.328 0.027 0.000 1.070 109 H CA 1.380 57.423 56.048 -0.008 0.000 1.356 109 H CB -0.136 29.643 29.762 0.030 0.000 1.401 109 H HN 0.193 nan 8.280 nan 0.000 0.524 110 I N 0.711 121.373 120.570 0.154 0.000 2.163 110 I HA -0.268 3.902 4.170 -0.001 0.000 0.243 110 I C 2.399 178.544 176.117 0.046 0.000 1.085 110 I CA 1.136 62.570 61.300 0.224 0.000 1.347 110 I CB -0.238 37.960 38.000 0.330 0.000 1.044 110 I HN 0.095 nan 8.210 nan 0.000 0.408 111 L N -0.541 120.484 121.223 -0.331 0.000 2.109 111 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 111 L C 2.713 179.234 176.870 -0.581 0.000 1.086 111 L CA 0.993 55.392 54.840 -0.736 0.000 0.760 111 L CB -0.467 40.565 42.059 -1.711 0.000 0.910 111 L HN 0.221 nan 8.230 nan 0.000 0.437 112 S N 0.264 115.757 115.700 -0.345 0.000 2.368 112 S HA -0.156 4.313 4.470 -0.001 0.000 0.225 112 S C 1.807 176.393 174.600 -0.024 0.000 1.030 112 S CA 1.566 59.796 58.200 0.050 0.000 0.999 112 S CB -0.144 63.155 63.200 0.165 0.000 0.844 112 S HN 0.439 nan 8.310 nan 0.000 0.459 113 N N 1.488 120.178 118.700 -0.017 0.000 2.354 113 N HA 0.143 4.882 4.740 -0.001 0.000 0.179 113 N C 1.793 177.045 175.510 -0.431 0.000 1.021 113 N CA 1.070 54.079 53.050 -0.068 0.000 0.887 113 N CB -0.749 37.812 38.487 0.125 0.000 0.974 113 N HN 0.492 nan 8.380 nan 0.000 0.437 114 A N 1.131 123.732 122.820 -0.364 0.000 1.902 114 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 114 A C 2.165 179.491 177.584 -0.431 0.000 1.181 114 A CA 0.916 52.574 52.037 -0.632 0.000 0.623 114 A CB -0.708 18.201 19.000 -0.151 0.000 0.818 114 A HN 0.219 nan 8.150 nan 0.000 0.443 115 L N 0.250 121.355 121.223 -0.196 0.000 2.012 115 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 115 L C 2.468 179.256 176.870 -0.136 0.000 1.073 115 L CA 2.625 57.414 54.840 -0.086 0.000 0.748 115 L CB -0.731 41.338 42.059 0.017 0.000 0.891 115 L HN 0.527 nan 8.230 nan 0.000 0.431 116 R N -1.819 118.556 120.500 -0.208 0.000 2.066 116 R HA -0.174 4.165 4.340 -0.001 0.000 0.232 116 R C 2.373 178.477 176.300 -0.327 0.000 1.131 116 R CA 1.602 57.551 56.100 -0.252 0.000 0.955 116 R CB -0.509 29.616 30.300 -0.292 0.000 0.851 116 R HN 0.551 nan 8.270 nan 0.000 0.432 117 H N 0.440 119.213 119.070 -0.494 0.000 2.395 117 H HA -0.050 4.506 4.556 -0.001 0.000 0.299 117 H C 2.248 177.354 175.328 -0.370 0.000 1.070 117 H CA 1.597 57.335 56.048 -0.516 0.000 1.356 117 H CB 0.086 29.230 29.762 -1.031 0.000 1.401 117 H HN 0.238 nan 8.280 nan 0.000 0.524 118 L N -0.149 120.894 121.223 -0.300 0.000 2.027 118 L HA -0.191 4.148 4.340 -0.001 0.000 0.206 118 L C 2.757 179.596 176.870 -0.051 0.000 1.074 118 L CA 1.163 55.917 54.840 -0.144 0.000 0.745 118 L CB -0.700 41.290 42.059 -0.115 0.000 0.898 118 L HN 0.383 nan 8.230 nan 0.000 0.433 119 H N 0.548 119.543 119.070 -0.124 0.000 2.319 119 H HA -0.215 4.341 4.556 -0.001 0.000 0.297 119 H C 1.264 176.546 175.328 -0.077 0.000 1.097 119 H CA 2.139 58.138 56.048 -0.082 0.000 1.285 119 H CB 0.196 29.907 29.762 -0.086 0.000 1.368 119 H HN 0.327 nan 8.280 nan 0.000 0.495 120 D N 0.239 120.617 120.400 -0.037 0.000 2.355 120 D HA 0.015 4.654 4.640 -0.001 0.000 0.218 120 D C -0.076 176.185 176.300 -0.064 0.000 1.004 120 D CA 0.421 54.377 54.000 -0.072 0.000 0.880 120 D CB 0.038 40.798 40.800 -0.066 0.000 0.911 120 D HN 0.322 nan 8.370 nan 0.000 0.528 121 N N 0.595 119.267 118.700 -0.046 0.000 2.716 121 N HA 0.140 4.880 4.740 -0.001 0.000 0.253 121 N C -2.233 173.283 175.510 0.010 0.000 1.170 121 N CA -1.032 52.022 53.050 0.008 0.000 0.807 121 N CB 2.340 40.861 38.487 0.057 0.000 1.183 121 N HN -0.130 nan 8.380 nan 0.000 0.524 122 P HA -0.079 nan 4.420 nan 0.000 0.223 122 P C 0.905 178.235 177.300 0.050 0.000 1.144 122 P CA 1.181 64.282 63.100 0.003 0.000 0.783 122 P CB 0.557 32.252 31.700 -0.008 0.000 0.771 123 E N -1.760 118.501 120.200 0.101 0.000 2.472 123 E HA 0.090 4.440 4.350 -0.001 0.000 0.196 123 E C 0.752 177.490 176.600 0.229 0.000 1.033 123 E CA -0.019 56.481 56.400 0.168 0.000 0.886 123 E CB -0.269 29.559 29.700 0.214 0.000 0.944 123 E HN 0.247 nan 8.360 nan 0.000 0.492 124 M N 1.430 121.101 119.600 0.118 0.000 2.242 124 M HA 0.127 4.606 4.480 -0.001 0.000 0.344 124 M C -0.370 175.909 176.300 -0.035 0.000 1.140 124 M CA 0.235 55.498 55.300 -0.062 0.000 1.160 124 M CB 0.521 33.066 32.600 -0.092 0.000 1.491 124 M HN -0.359 nan 8.290 nan 0.000 0.459 125 K N 2.928 123.267 120.400 -0.101 0.000 2.480 125 K HA 0.647 4.966 4.320 -0.001 0.000 0.258 125 K C -1.784 174.844 176.600 0.047 0.000 0.990 125 K CA -0.521 55.768 56.287 0.004 0.000 0.857 125 K CB 2.298 34.826 32.500 0.047 0.000 1.384 125 K HN 0.664 nan 8.250 nan 0.000 0.446 126 F N 1.575 121.434 119.950 -0.152 0.000 2.672 126 F HA 0.436 4.962 4.527 -0.001 0.000 0.311 126 F C -1.517 174.172 175.800 -0.185 0.000 1.113 126 F CA -1.288 56.604 58.000 -0.180 0.000 0.996 126 F CB 1.005 39.978 39.000 -0.044 0.000 1.286 126 F HN 0.455 nan 8.300 nan 0.000 0.441 127 I N 1.831 122.047 120.570 -0.589 0.000 2.648 127 I HA 0.617 4.787 4.170 -0.001 0.000 0.304 127 I C -1.747 173.930 176.117 -0.733 0.000 1.009 127 I CA -0.621 60.306 61.300 -0.622 0.000 1.114 127 I CB 2.577 40.163 38.000 -0.690 0.000 1.293 127 I HN 0.700 nan 8.210 nan 0.000 0.449 128 W N 4.596 125.491 121.300 -0.675 0.000 2.957 128 W HA 0.634 5.293 4.660 -0.001 0.000 0.336 128 W C -0.757 175.676 176.519 -0.143 0.000 1.087 128 W CA -0.555 56.522 57.345 -0.446 0.000 1.235 128 W CB 2.665 31.898 29.460 -0.379 0.000 1.399 128 W HN 0.791 nan 8.180 nan 0.000 0.480 129 A N 3.486 125.943 122.820 -0.605 0.000 2.013 129 A HA 0.161 4.480 4.320 -0.001 0.000 0.204 129 A C -0.023 177.514 177.584 -0.079 0.000 1.262 129 A CA 0.494 52.414 52.037 -0.193 0.000 0.800 129 A CB 0.049 18.988 19.000 -0.101 0.000 0.909 129 A HN 0.502 nan 8.150 nan 0.000 0.472 130 E N 0.979 121.020 120.200 -0.266 0.000 2.014 130 E HA 0.315 4.664 4.350 -0.001 0.000 0.275 130 E C 0.438 177.193 176.600 0.259 0.000 0.997 130 E CA -0.277 56.135 56.400 0.020 0.000 0.804 130 E CB 0.771 30.476 29.700 0.008 0.000 1.090 130 E HN 0.271 nan 8.360 nan 0.000 0.401 131 I N 1.474 122.092 120.570 0.079 0.000 2.676 131 I HA -0.190 3.979 4.170 -0.001 0.000 0.259 131 I C 1.958 177.714 176.117 -0.601 0.000 1.194 131 I CA 0.880 62.150 61.300 -0.050 0.000 1.473 131 I CB -1.320 36.694 38.000 0.023 0.000 1.096 131 I HN 0.411 nan 8.210 nan 0.000 0.443 132 S N 1.212 116.250 115.700 -1.103 0.000 2.365 132 S HA -0.271 4.199 4.470 -0.001 0.000 0.225 132 S C 2.128 176.449 174.600 -0.466 0.000 1.039 132 S CA 1.351 58.566 58.200 -1.640 0.000 1.033 132 S CB -1.012 61.302 63.200 -1.477 0.000 0.887 132 S HN 0.364 nan 8.310 nan 0.000 0.447 133 Y N 0.529 120.857 120.300 0.047 0.000 2.263 133 Y HA 0.172 4.722 4.550 -0.001 0.000 0.292 133 Y C 2.181 178.146 175.900 0.107 0.000 1.130 133 Y CA 0.156 58.379 58.100 0.204 0.000 1.179 133 Y CB -0.878 37.797 38.460 0.359 0.000 0.998 133 Y HN 0.338 nan 8.280 nan 0.000 0.532 134 F N -0.020 120.007 119.950 0.129 0.000 2.134 134 F HA -0.158 4.369 4.527 -0.001 0.000 0.299 134 F C 2.340 177.963 175.800 -0.295 0.000 1.097 134 F CA 1.301 59.249 58.000 -0.087 0.000 1.264 134 F CB -0.407 38.537 39.000 -0.094 0.000 1.001 134 F HN -0.024 nan 8.300 nan 0.000 0.479 135 A N 0.109 122.584 122.820 -0.575 0.000 1.930 135 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 135 A C 2.126 179.592 177.584 -0.197 0.000 1.175 135 A CA 1.662 53.203 52.037 -0.827 0.000 0.627 135 A CB -0.716 17.632 19.000 -1.086 0.000 0.815 135 A HN 0.387 nan 8.150 nan 0.000 0.443 136 R N -1.005 119.426 120.500 -0.115 0.000 2.096 136 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 136 R C 1.710 177.941 176.300 -0.115 0.000 1.127 136 R CA 2.002 58.042 56.100 -0.100 0.000 0.968 136 R CB -0.821 29.369 30.300 -0.183 0.000 0.861 136 R HN 0.485 nan 8.270 nan 0.000 0.440 137 F N -0.323 119.530 119.950 -0.163 0.000 2.128 137 F HA -0.086 4.440 4.527 -0.001 0.000 0.295 137 F C 1.915 177.627 175.800 -0.147 0.000 1.100 137 F CA 1.462 59.431 58.000 -0.053 0.000 1.260 137 F CB -0.845 38.052 39.000 -0.172 0.000 1.009 137 F HN 0.107 nan 8.300 nan 0.000 0.476 138 Y N 0.552 120.620 120.300 -0.387 0.000 2.114 138 Y HA -0.312 4.238 4.550 -0.001 0.000 0.282 138 Y C 2.646 178.326 175.900 -0.366 0.000 1.165 138 Y CA 2.462 60.311 58.100 -0.419 0.000 1.148 138 Y CB -0.799 37.531 38.460 -0.217 0.000 0.972 138 Y HN 0.151 nan 8.280 nan 0.000 0.504 139 H N -0.824 118.252 119.070 0.009 0.000 2.547 139 H HA -0.030 4.526 4.556 -0.001 0.000 0.272 139 H C 0.930 176.163 175.328 -0.159 0.000 0.989 139 H CA 1.198 57.218 56.048 -0.046 0.000 1.214 139 H CB -0.036 29.764 29.762 0.064 0.000 1.389 139 H HN 0.463 nan 8.280 nan 0.000 0.577 140 D N 0.177 120.489 120.400 -0.147 0.000 2.349 140 D HA 0.064 4.704 4.640 -0.001 0.000 0.215 140 D C 0.606 176.727 176.300 -0.298 0.000 1.016 140 D CA 0.100 53.995 54.000 -0.174 0.000 0.870 140 D CB 0.373 41.101 40.800 -0.120 0.000 0.917 140 D HN 0.219 nan 8.370 nan 0.000 0.524 141 L N 0.643 121.590 121.223 -0.459 0.000 2.371 141 L HA 0.332 4.672 4.340 -0.001 0.000 0.272 141 L C 1.372 178.058 176.870 -0.305 0.000 1.124 141 L CA -0.684 53.882 54.840 -0.456 0.000 0.816 141 L CB 1.016 42.727 42.059 -0.580 0.000 1.129 141 L HN -0.046 nan 8.230 nan 0.000 0.448 142 G N 0.897 109.565 108.800 -0.219 0.000 2.614 142 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.239 142 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.239 142 G C 0.711 175.520 174.900 -0.151 0.000 1.240 142 G CA -0.265 44.746 45.100 -0.149 0.000 0.842 142 G HN 0.814 nan 8.290 nan 0.000 0.584 143 E N 1.055 121.195 120.200 -0.099 0.000 2.118 143 E HA -0.213 4.136 4.350 -0.001 0.000 0.195 143 E C 2.309 178.876 176.600 -0.055 0.000 0.992 143 E CA 2.062 58.420 56.400 -0.070 0.000 0.804 143 E CB -0.301 29.383 29.700 -0.028 0.000 0.741 143 E HN 0.716 nan 8.360 nan 0.000 0.458 144 N N 0.463 119.130 118.700 -0.055 0.000 2.037 144 N HA -0.229 4.510 4.740 -0.001 0.000 0.196 144 N C 1.498 176.974 175.510 -0.057 0.000 1.034 144 N CA 1.791 54.812 53.050 -0.048 0.000 0.861 144 N CB -0.331 38.123 38.487 -0.056 0.000 1.039 144 N HN 0.002 nan 8.380 nan 0.000 0.427 145 K N 0.629 120.976 120.400 -0.087 0.000 2.155 145 K HA 0.038 4.357 4.320 -0.001 0.000 0.203 145 K C 1.832 178.397 176.600 -0.058 0.000 1.052 145 K CA 0.856 57.091 56.287 -0.087 0.000 0.948 145 K CB -0.175 32.251 32.500 -0.124 0.000 0.728 145 K HN 0.399 nan 8.250 nan 0.000 0.448 146 K N 0.845 121.178 120.400 -0.113 0.000 2.063 146 K HA -0.060 4.260 4.320 -0.001 0.000 0.208 146 K C 2.252 178.911 176.600 0.099 0.000 1.048 146 K CA 1.036 57.283 56.287 -0.068 0.000 0.928 146 K CB -0.208 32.175 32.500 -0.195 0.000 0.713 146 K HN 0.052 nan 8.250 nan 0.000 0.442 147 L N 1.057 122.315 121.223 0.058 0.000 2.046 147 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 147 L C 2.561 179.490 176.870 0.098 0.000 1.077 147 L CA 1.344 56.235 54.840 0.084 0.000 0.747 147 L CB -0.497 41.593 42.059 0.051 0.000 0.896 147 L HN 0.271 nan 8.230 nan 0.000 0.432 148 Q N -0.759 119.080 119.800 0.066 0.000 2.084 148 Q HA -0.267 4.072 4.340 -0.001 0.000 0.202 148 Q C 2.209 178.291 176.000 0.137 0.000 0.978 148 Q CA 1.765 57.615 55.803 0.079 0.000 0.844 148 Q CB -0.200 28.521 28.738 -0.027 0.000 0.898 148 Q HN 0.374 nan 8.270 nan 0.000 0.426 149 M N 1.135 120.837 119.600 0.169 0.000 2.099 149 M HA -0.143 4.336 4.480 -0.001 0.000 0.262 149 M C 1.602 178.073 176.300 0.284 0.000 1.067 149 M CA 1.761 57.223 55.300 0.270 0.000 1.124 149 M CB 0.049 32.883 32.600 0.391 0.000 1.353 149 M HN -0.107 nan 8.290 nan 0.000 0.410 150 K N -0.922 119.641 120.400 0.272 0.000 2.147 150 K HA -0.135 4.185 4.320 -0.001 0.000 0.205 150 K C 2.277 178.976 176.600 0.164 0.000 1.049 150 K CA 1.521 57.948 56.287 0.233 0.000 0.936 150 K CB -0.436 32.184 32.500 0.201 0.000 0.722 150 K HN 0.414 nan 8.250 nan 0.000 0.446 151 S N 1.587 117.373 115.700 0.144 0.000 2.356 151 S HA -0.113 4.357 4.470 -0.001 0.000 0.223 151 S C 1.955 176.614 174.600 0.098 0.000 1.032 151 S CA 1.291 59.557 58.200 0.110 0.000 1.005 151 S CB -0.243 63.024 63.200 0.112 0.000 0.867 151 S HN 0.395 nan 8.310 nan 0.000 0.449 152 I N -0.803 119.836 120.570 0.114 0.000 2.830 152 I HA 0.057 4.227 4.170 -0.001 0.000 0.263 152 I C 1.866 178.020 176.117 0.062 0.000 1.230 152 I CA 0.606 61.954 61.300 0.080 0.000 1.480 152 I CB -0.371 37.677 38.000 0.080 0.000 1.095 152 I HN 0.099 nan 8.210 nan 0.000 0.455 153 V N 1.642 121.612 119.914 0.094 0.000 2.346 153 V HA -0.201 3.918 4.120 -0.001 0.000 0.244 153 V C 2.719 178.854 176.094 0.068 0.000 1.037 153 V CA 2.010 64.357 62.300 0.079 0.000 1.029 153 V CB -0.724 31.209 31.823 0.183 0.000 0.663 153 V HN 0.446 nan 8.190 nan 0.000 0.454 154 K N 1.465 121.912 120.400 0.079 0.000 2.103 154 K HA -0.230 4.090 4.320 -0.001 0.000 0.207 154 K C 1.721 178.342 176.600 0.035 0.000 1.048 154 K CA 1.913 58.234 56.287 0.056 0.000 0.930 154 K CB -0.228 32.307 32.500 0.058 0.000 0.716 154 K HN 0.670 nan 8.250 nan 0.000 0.444 155 N N -0.610 118.110 118.700 0.033 0.000 2.398 155 N HA -0.001 4.739 4.740 -0.001 0.000 0.188 155 N C 0.870 176.387 175.510 0.012 0.000 1.122 155 N CA 1.071 54.133 53.050 0.020 0.000 0.866 155 N CB 0.424 38.922 38.487 0.019 0.000 0.970 155 N HN 0.337 nan 8.380 nan 0.000 0.462 156 G N -0.284 108.520 108.800 0.007 0.000 2.176 156 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.253 156 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.253 156 G C 0.799 175.690 174.900 -0.015 0.000 0.979 156 G CA 0.445 45.539 45.100 -0.010 0.000 0.641 156 G HN 0.451 nan 8.290 nan 0.000 0.530 157 Q N -1.287 118.511 119.800 -0.003 0.000 2.096 157 Q HA 0.230 4.569 4.340 -0.001 0.000 0.197 157 Q C 1.098 177.095 176.000 -0.006 0.000 0.964 157 Q CA 0.991 56.797 55.803 0.004 0.000 0.838 157 Q CB 0.206 28.952 28.738 0.014 0.000 0.906 157 Q HN 0.559 nan 8.270 nan 0.000 0.444 158 L N 1.278 122.478 121.223 -0.037 0.000 2.280 158 L HA 0.299 4.639 4.340 -0.001 0.000 0.287 158 L C -0.973 175.734 176.870 -0.272 0.000 1.023 158 L CA -0.093 54.678 54.840 -0.116 0.000 0.819 158 L CB 1.446 43.447 42.059 -0.097 0.000 1.212 158 L HN -0.077 nan 8.230 nan 0.000 0.420 159 E N 4.299 124.302 120.200 -0.329 0.000 2.199 159 E HA 0.359 4.708 4.350 -0.001 0.000 0.265 159 E C -1.431 174.923 176.600 -0.412 0.000 0.882 159 E CA -0.731 55.488 56.400 -0.301 0.000 0.759 159 E CB 0.941 30.533 29.700 -0.180 0.000 1.148 159 E HN 0.500 nan 8.360 nan 0.000 0.412 160 F N 3.258 123.165 119.950 -0.072 0.000 2.412 160 F HA 0.211 4.737 4.527 -0.001 0.000 0.348 160 F C 0.299 176.073 175.800 -0.044 0.000 1.102 160 F CA -0.493 57.477 58.000 -0.051 0.000 1.196 160 F CB 1.172 40.154 39.000 -0.030 0.000 1.144 160 F HN 0.180 nan 8.300 nan 0.000 0.541 161 V N -0.007 119.975 119.914 0.113 0.000 2.495 161 V HA 0.650 4.770 4.120 -0.001 0.000 0.298 161 V C 0.249 176.478 176.094 0.225 0.000 1.031 161 V CA -0.525 61.842 62.300 0.111 0.000 0.871 161 V CB 0.917 32.703 31.823 -0.063 0.000 0.988 161 V HN 0.981 nan 8.190 nan 0.000 0.432 162 T N 3.139 117.901 114.554 0.347 0.000 13.132 162 T HA -0.306 4.044 4.350 -0.001 0.000 0.419 162 T C 1.717 176.651 174.700 0.390 0.000 1.442 162 T CA 2.892 65.241 62.100 0.415 0.000 2.366 162 T CB -1.690 67.317 68.868 0.233 0.000 2.813 162 T HN 2.799 nan 8.240 nan 0.000 0.650 163 G N 1.929 110.892 108.800 0.272 0.000 2.137 163 G HA2 0.129 4.089 3.960 -0.001 0.000 0.237 163 G HA3 0.129 4.089 3.960 -0.001 0.000 0.237 163 G C 0.291 175.329 174.900 0.230 0.000 1.002 163 G CA 0.558 45.792 45.100 0.223 0.000 0.702 163 G HN 1.548 nan 8.290 nan 0.000 0.515 164 G N -1.653 107.282 108.800 0.225 0.000 2.572 164 G HA2 0.367 4.326 3.960 -0.001 0.000 0.261 164 G HA3 0.367 4.326 3.960 -0.001 0.000 0.261 164 G C 1.000 176.069 174.900 0.280 0.000 1.197 164 G CA 0.168 45.412 45.100 0.240 0.000 0.870 164 G HN 0.330 nan 8.290 nan 0.000 0.548 165 W N 0.311 121.655 121.300 0.073 0.000 2.325 165 W HA -0.060 4.599 4.660 -0.001 0.000 0.299 165 W C 0.750 177.299 176.519 0.049 0.000 1.215 165 W CA 1.989 59.362 57.345 0.047 0.000 1.244 165 W CB 0.219 29.690 29.460 0.018 0.000 1.140 165 W HN 0.402 nan 8.180 nan 0.000 0.523 166 V N -2.718 117.312 119.914 0.193 0.000 3.105 166 V HA 0.500 4.619 4.120 -0.001 0.000 0.311 166 V C -0.411 175.770 176.094 0.144 0.000 1.287 166 V CA -1.272 61.090 62.300 0.104 0.000 1.066 166 V CB 1.722 33.626 31.823 0.135 0.000 1.105 166 V HN -0.049 nan 8.190 nan 0.000 0.462 167 M N 3.889 123.604 119.600 0.191 0.000 2.103 167 M HA 0.512 4.992 4.480 -0.001 0.000 0.350 167 M C -2.708 173.753 176.300 0.269 0.000 1.100 167 M CA -1.879 53.552 55.300 0.218 0.000 1.042 167 M CB 1.347 34.102 32.600 0.257 0.000 1.368 167 M HN 0.623 nan 8.290 nan 0.000 0.404 168 P HA 0.125 nan 4.420 nan 0.000 0.277 168 P C -0.905 176.413 177.300 0.029 0.000 1.240 168 P CA -0.184 62.972 63.100 0.094 0.000 0.798 168 P CB 0.547 32.288 31.700 0.068 0.000 0.979 169 D N 0.954 121.331 120.400 -0.038 0.000 2.548 169 D HA -0.112 4.527 4.640 -0.001 0.000 0.231 169 D C 0.708 177.028 176.300 0.033 0.000 1.142 169 D CA 0.872 54.836 54.000 -0.061 0.000 0.866 169 D CB 0.427 41.203 40.800 -0.041 0.000 1.190 169 D HN 0.317 nan 8.370 nan 0.000 0.469 170 E N 1.544 121.809 120.200 0.108 0.000 2.526 170 E HA 0.184 4.533 4.350 -0.001 0.000 0.208 170 E C 0.932 177.715 176.600 0.306 0.000 0.997 170 E CA 0.045 56.573 56.400 0.213 0.000 0.961 170 E CB 0.645 30.489 29.700 0.239 0.000 1.030 170 E HN 0.479 nan 8.360 nan 0.000 0.483 171 A N 1.523 124.478 122.820 0.225 0.000 1.887 171 A HA 0.007 4.326 4.320 -0.001 0.000 0.210 171 A C 1.826 179.299 177.584 -0.185 0.000 1.221 171 A CA 0.626 52.556 52.037 -0.178 0.000 0.635 171 A CB 0.007 18.886 19.000 -0.201 0.000 0.881 171 A HN 0.041 nan 8.150 nan 0.000 0.456 172 N N 0.687 119.370 118.700 -0.028 0.000 2.392 172 N HA 0.007 4.746 4.740 -0.001 0.000 0.177 172 N C 0.473 175.975 175.510 -0.013 0.000 1.066 172 N CA 0.762 53.790 53.050 -0.037 0.000 0.895 172 N CB 0.021 38.533 38.487 0.041 0.000 0.988 172 N HN 0.503 nan 8.380 nan 0.000 0.457 173 S N 0.804 116.508 115.700 0.006 0.000 2.562 173 S HA 0.028 4.497 4.470 -0.001 0.000 0.281 173 S C 0.041 174.656 174.600 0.026 0.000 1.333 173 S CA -0.570 57.645 58.200 0.025 0.000 1.052 173 S CB 1.105 64.323 63.200 0.030 0.000 0.884 173 S HN 0.208 nan 8.310 nan 0.000 0.506 174 H N 3.440 122.489 119.070 -0.035 0.000 2.582 174 H HA 0.037 4.592 4.556 -0.001 0.000 0.345 174 H C 1.280 176.581 175.328 -0.044 0.000 1.104 174 H CA -0.216 55.797 56.048 -0.058 0.000 1.390 174 H CB 0.524 30.202 29.762 -0.140 0.000 1.461 174 H HN 1.030 nan 8.280 nan 0.000 0.551 175 W N 5.833 127.028 121.300 -0.175 0.000 2.331 175 W HA -0.179 4.481 4.660 -0.001 0.000 0.291 175 W C 1.070 177.656 176.519 0.110 0.000 1.214 175 W CA 0.456 57.781 57.345 -0.034 0.000 1.228 175 W CB -0.480 28.897 29.460 -0.139 0.000 1.135 175 W HN 0.538 nan 8.180 nan 0.000 0.537 176 R N 0.721 120.847 120.500 -0.624 0.000 2.120 176 R HA -0.129 4.210 4.340 -0.001 0.000 0.234 176 R C 1.976 178.111 176.300 -0.276 0.000 1.123 176 R CA 1.828 57.464 56.100 -0.774 0.000 0.975 176 R CB -0.378 29.413 30.300 -0.849 0.000 0.866 176 R HN 0.147 nan 8.270 nan 0.000 0.446 177 N N -0.277 118.348 118.700 -0.125 0.000 2.376 177 N HA -0.044 4.695 4.740 -0.001 0.000 0.177 177 N C 1.705 177.219 175.510 0.007 0.000 1.024 177 N CA 0.618 53.635 53.050 -0.055 0.000 0.893 177 N CB 0.056 38.531 38.487 -0.020 0.000 0.980 177 N HN -0.016 nan 8.380 nan 0.000 0.439 178 V N 1.464 121.406 119.914 0.046 0.000 2.295 178 V HA -0.184 3.935 4.120 -0.001 0.000 0.246 178 V C 2.341 178.480 176.094 0.075 0.000 1.049 178 V CA 1.133 63.479 62.300 0.076 0.000 1.024 178 V CB -0.503 31.385 31.823 0.109 0.000 0.648 178 V HN 0.198 nan 8.190 nan 0.000 0.447 179 L N -0.326 120.952 121.223 0.091 0.000 2.046 179 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 179 L C 2.179 179.060 176.870 0.018 0.000 1.077 179 L CA 1.807 56.693 54.840 0.076 0.000 0.747 179 L CB -0.703 41.435 42.059 0.132 0.000 0.896 179 L HN 0.280 nan 8.230 nan 0.000 0.432 180 L N -0.069 121.143 121.223 -0.018 0.000 1.989 180 L HA -0.259 4.081 4.340 -0.001 0.000 0.211 180 L C 2.605 179.466 176.870 -0.015 0.000 1.071 180 L CA 2.400 57.218 54.840 -0.037 0.000 0.749 180 L CB -0.806 41.212 42.059 -0.068 0.000 0.890 180 L HN 0.688 nan 8.230 nan 0.000 0.431 181 Q N -1.068 118.746 119.800 0.022 0.000 2.172 181 Q HA -0.191 4.149 4.340 -0.001 0.000 0.200 181 Q C 2.033 178.118 176.000 0.141 0.000 0.964 181 Q CA 2.000 57.851 55.803 0.081 0.000 0.855 181 Q CB -1.153 27.669 28.738 0.139 0.000 0.918 181 Q HN 0.464 nan 8.270 nan 0.000 0.444 182 L N 0.884 122.174 121.223 0.112 0.000 2.017 182 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 182 L C 1.941 178.891 176.870 0.134 0.000 1.073 182 L CA 2.480 57.399 54.840 0.132 0.000 0.745 182 L CB -1.011 41.103 42.059 0.093 0.000 0.894 182 L HN 0.340 nan 8.230 nan 0.000 0.432 183 T N -1.026 113.574 114.554 0.076 0.000 2.821 183 T HA -0.177 4.173 4.350 -0.001 0.000 0.267 183 T C 1.715 176.467 174.700 0.087 0.000 1.046 183 T CA 1.385 63.522 62.100 0.062 0.000 1.139 183 T CB -0.158 68.714 68.868 0.006 0.000 0.871 183 T HN 0.346 nan 8.240 nan 0.000 0.454 184 E N 1.041 121.270 120.200 0.047 0.000 2.051 184 E HA -0.043 4.307 4.350 -0.001 0.000 0.192 184 E C 2.348 179.074 176.600 0.211 0.000 0.991 184 E CA 1.549 57.933 56.400 -0.027 0.000 0.799 184 E CB -0.849 28.646 29.700 -0.341 0.000 0.748 184 E HN 0.441 nan 8.360 nan 0.000 0.449 185 G N -0.125 108.898 108.800 0.372 0.000 2.402 185 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.216 185 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.216 185 G C 1.496 176.613 174.900 0.363 0.000 1.162 185 G CA 0.646 46.050 45.100 0.506 0.000 0.777 185 G HN 0.259 nan 8.290 nan 0.000 0.539 186 Q N -0.165 119.785 119.800 0.250 0.000 2.172 186 Q HA -0.053 4.286 4.340 -0.001 0.000 0.200 186 Q C 2.779 178.877 176.000 0.163 0.000 0.964 186 Q CA 1.381 57.291 55.803 0.180 0.000 0.855 186 Q CB -0.167 28.659 28.738 0.146 0.000 0.918 186 Q HN 0.412 nan 8.270 nan 0.000 0.444 187 T N 0.129 114.792 114.554 0.180 0.000 2.777 187 T HA -0.180 4.169 4.350 -0.001 0.000 0.266 187 T C 1.087 175.891 174.700 0.173 0.000 1.040 187 T CA 1.008 63.190 62.100 0.136 0.000 1.141 187 T CB -0.372 68.572 68.868 0.126 0.000 0.868 187 T HN 0.466 nan 8.240 nan 0.000 0.444 188 W N 1.646 123.042 121.300 0.161 0.000 2.335 188 W HA -0.090 4.569 4.660 -0.001 0.000 0.311 188 W C 1.823 178.452 176.519 0.184 0.000 1.213 188 W CA 1.044 58.562 57.345 0.288 0.000 1.274 188 W CB -0.475 29.222 29.460 0.395 0.000 1.148 188 W HN 0.149 nan 8.180 nan 0.000 0.498 189 L N 0.522 121.960 121.223 0.358 0.000 2.046 189 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 189 L C 2.579 179.387 176.870 -0.104 0.000 1.077 189 L CA 1.942 56.819 54.840 0.061 0.000 0.747 189 L CB -0.944 41.084 42.059 -0.051 0.000 0.896 189 L HN -0.011 nan 8.230 nan 0.000 0.432 190 K N 0.023 120.382 120.400 -0.069 0.000 2.057 190 K HA -0.260 4.059 4.320 -0.001 0.000 0.206 190 K C 2.195 178.662 176.600 -0.223 0.000 1.050 190 K CA 1.567 57.787 56.287 -0.111 0.000 0.935 190 K CB -0.014 32.446 32.500 -0.067 0.000 0.715 190 K HN 0.245 nan 8.250 nan 0.000 0.439 191 Q N -0.853 118.738 119.800 -0.348 0.000 2.079 191 Q HA -0.131 4.209 4.340 -0.001 0.000 0.200 191 Q C 1.344 176.841 176.000 -0.838 0.000 0.974 191 Q CA 1.681 57.108 55.803 -0.626 0.000 0.840 191 Q CB 0.050 28.280 28.738 -0.848 0.000 0.898 191 Q HN 0.326 nan 8.270 nan 0.000 0.430 192 F N -1.324 118.242 119.950 -0.640 0.000 2.622 192 F HA 0.154 4.681 4.527 -0.001 0.000 0.288 192 F C 1.544 177.065 175.800 -0.464 0.000 1.120 192 F CA 0.242 57.802 58.000 -0.733 0.000 1.423 192 F CB 0.493 38.534 39.000 -1.599 0.000 1.127 192 F HN 0.099 nan 8.300 nan 0.000 0.588 193 M N -1.053 118.414 119.600 -0.222 0.000 2.306 193 M HA 0.253 4.733 4.480 -0.001 0.000 0.292 193 M C 0.241 176.532 176.300 -0.015 0.000 1.018 193 M CA 0.189 55.469 55.300 -0.033 0.000 1.007 193 M CB -0.946 31.678 32.600 0.039 0.000 1.510 193 M HN 0.090 nan 8.290 nan 0.000 0.537 194 N N 2.074 120.726 118.700 -0.080 0.000 2.740 194 N HA -0.131 4.609 4.740 -0.001 0.000 0.248 194 N C -0.981 174.516 175.510 -0.023 0.000 1.062 194 N CA 0.727 53.743 53.050 -0.057 0.000 0.704 194 N CB -1.008 37.459 38.487 -0.034 0.000 0.968 194 N HN 0.408 nan 8.380 nan 0.000 0.547 195 V N -3.860 116.042 119.914 -0.020 0.000 3.007 195 V HA 0.871 4.990 4.120 -0.001 0.000 0.311 195 V C 0.114 176.196 176.094 -0.020 0.000 1.120 195 V CA -0.508 61.794 62.300 0.004 0.000 0.980 195 V CB 2.326 34.195 31.823 0.077 0.000 1.033 195 V HN 0.053 nan 8.190 nan 0.000 0.429 196 T N 3.990 118.522 114.554 -0.037 0.000 2.892 196 T HA 0.566 4.915 4.350 -0.001 0.000 0.311 196 T C -2.715 171.904 174.700 -0.135 0.000 1.033 196 T CA -0.785 61.273 62.100 -0.070 0.000 0.991 196 T CB 1.325 70.142 68.868 -0.085 0.000 0.981 196 T HN 0.755 nan 8.240 nan 0.000 0.457 197 P HA 0.160 nan 4.420 nan 0.000 0.266 197 P C 0.820 177.725 177.300 -0.658 0.000 1.195 197 P CA -0.134 62.847 63.100 -0.199 0.000 0.768 197 P CB 0.519 32.221 31.700 0.003 0.000 0.838 198 T N -1.813 112.416 114.554 -0.541 0.000 3.043 198 T HA 0.533 4.882 4.350 -0.001 0.000 0.272 198 T C 0.334 174.859 174.700 -0.292 0.000 0.990 198 T CA -0.294 61.366 62.100 -0.733 0.000 0.897 198 T CB 0.137 68.789 68.868 -0.360 0.000 1.111 198 T HN 0.410 nan 8.240 nan 0.000 0.529 199 A N 0.960 123.765 122.820 -0.025 0.000 2.331 199 A HA 0.800 5.119 4.320 -0.001 0.000 0.320 199 A C -0.103 177.755 177.584 0.457 0.000 1.138 199 A CA -0.684 51.490 52.037 0.229 0.000 0.790 199 A CB 1.710 20.863 19.000 0.255 0.000 1.206 199 A HN 0.274 nan 8.150 nan 0.000 0.470 200 S N 2.297 118.253 115.700 0.427 0.000 2.549 200 S HA 0.673 5.143 4.470 -0.001 0.000 0.297 200 S C -1.100 173.691 174.600 0.319 0.000 1.115 200 S CA -0.437 57.951 58.200 0.313 0.000 1.059 200 S CB 0.770 63.969 63.200 -0.002 0.000 1.046 200 S HN 0.811 nan 8.310 nan 0.000 0.506 201 W N 4.538 125.856 121.300 0.031 0.000 2.463 201 W HA 0.630 5.290 4.660 -0.001 0.000 0.316 201 W C -1.435 175.035 176.519 -0.082 0.000 1.004 201 W CA -0.829 56.487 57.345 -0.048 0.000 1.309 201 W CB 1.137 30.544 29.460 -0.089 0.000 1.288 201 W HN 0.788 nan 8.180 nan 0.000 0.423 202 A N 7.818 130.469 122.820 -0.283 0.000 2.842 202 A HA 0.276 4.596 4.320 -0.001 0.000 0.339 202 A C 0.376 177.701 177.584 -0.432 0.000 1.177 202 A CA -0.468 51.418 52.037 -0.251 0.000 0.797 202 A CB -0.410 18.564 19.000 -0.043 0.000 1.094 202 A HN 0.694 nan 8.150 nan 0.000 0.474 203 I N -2.766 117.367 120.570 -0.728 0.000 3.419 203 I HA 0.239 4.408 4.170 -0.001 0.000 0.286 203 I C 0.843 176.630 176.117 -0.549 0.000 1.268 203 I CA 0.990 61.833 61.300 -0.762 0.000 1.414 203 I CB 0.343 37.665 38.000 -1.130 0.000 1.074 203 I HN 0.322 nan 8.210 nan 0.000 0.457 204 D N 0.227 120.257 120.400 -0.616 0.000 2.498 204 D HA 0.244 4.883 4.640 -0.001 0.000 0.223 204 D C -2.207 173.642 176.300 -0.752 0.000 1.125 204 D CA -0.765 52.858 54.000 -0.629 0.000 0.835 204 D CB 0.122 40.428 40.800 -0.825 0.000 1.086 204 D HN 0.178 nan 8.370 nan 0.000 0.510 205 P HA 0.041 nan 4.420 nan 0.000 0.267 205 P C -0.492 176.358 177.300 -0.749 0.000 1.200 205 P CA 0.052 62.632 63.100 -0.866 0.000 0.772 205 P CB 0.188 31.550 31.700 -0.565 0.000 0.855 206 F N 2.120 121.834 119.950 -0.394 0.000 2.573 206 F HA 0.534 5.061 4.527 -0.001 0.000 0.349 206 F C 1.432 177.153 175.800 -0.131 0.000 1.213 206 F CA -0.552 57.175 58.000 -0.455 0.000 1.300 206 F CB -1.128 37.753 39.000 -0.199 0.000 1.661 206 F HN 0.498 nan 8.300 nan 0.000 0.616 207 G N 1.098 109.628 108.800 -0.451 0.000 2.629 207 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.686 207 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.686 207 G C -1.512 172.973 174.900 -0.691 0.000 1.232 207 G CA -1.173 43.737 45.100 -0.317 0.000 0.803 207 G HN 0.556 nan 8.290 nan 0.000 0.638 208 H N -0.506 118.236 119.070 -0.547 0.000 2.717 208 H HA 0.759 5.314 4.556 -0.001 0.000 0.366 208 H C -0.376 174.850 175.328 -0.171 0.000 1.132 208 H CA 0.018 55.951 56.048 -0.192 0.000 1.180 208 H CB 2.077 31.898 29.762 0.098 0.000 1.678 208 H HN 0.668 nan 8.280 nan 0.000 0.537 209 S N 2.270 118.124 115.700 0.257 0.000 2.501 209 S HA 0.263 4.732 4.470 -0.001 0.000 0.301 209 S C -1.814 172.824 174.600 0.064 0.000 1.096 209 S CA -1.787 56.577 58.200 0.274 0.000 1.063 209 S CB 1.298 64.688 63.200 0.318 0.000 1.042 209 S HN 0.445 nan 8.310 nan 0.000 0.494 210 P HA 0.030 nan 4.420 nan 0.000 0.237 210 P C 1.054 178.107 177.300 -0.412 0.000 1.178 210 P CA 0.673 63.382 63.100 -0.651 0.000 0.766 210 P CB -0.263 31.213 31.700 -0.373 0.000 0.876 211 T N -0.213 114.232 114.554 -0.181 0.000 2.881 211 T HA -0.087 4.263 4.350 -0.001 0.000 0.270 211 T C 1.801 176.455 174.700 -0.076 0.000 1.068 211 T CA 1.167 63.198 62.100 -0.116 0.000 1.131 211 T CB -0.375 68.463 68.868 -0.050 0.000 0.871 211 T HN 0.003 nan 8.240 nan 0.000 0.479 212 M N 0.970 120.484 119.600 -0.143 0.000 2.064 212 M HA 0.015 4.495 4.480 -0.001 0.000 0.260 212 M C -0.616 175.547 176.300 -0.228 0.000 1.073 212 M CA 1.178 56.392 55.300 -0.143 0.000 1.124 212 M CB -2.530 30.012 32.600 -0.097 0.000 1.326 212 M HN 0.121 nan 8.290 nan 0.000 0.410 213 P HA -0.203 nan 4.420 nan 0.000 0.218 213 P C 1.675 178.846 177.300 -0.215 0.000 1.148 213 P CA 1.444 64.349 63.100 -0.325 0.000 0.822 213 P CB -0.434 30.980 31.700 -0.476 0.000 0.784 214 Y N 1.071 121.181 120.300 -0.316 0.000 2.097 214 Y HA -0.202 4.347 4.550 -0.001 0.000 0.282 214 Y C 2.419 178.233 175.900 -0.143 0.000 1.152 214 Y CA 1.711 59.688 58.100 -0.205 0.000 1.136 214 Y CB -0.926 37.428 38.460 -0.177 0.000 0.975 214 Y HN -0.236 nan 8.280 nan 0.000 0.498 215 I N -0.431 120.161 120.570 0.036 0.000 2.252 215 I HA -0.303 3.867 4.170 -0.001 0.000 0.245 215 I C 2.263 178.314 176.117 -0.111 0.000 1.102 215 I CA 1.109 62.397 61.300 -0.019 0.000 1.385 215 I CB -0.404 37.646 38.000 0.084 0.000 1.064 215 I HN 0.266 nan 8.210 nan 0.000 0.414 216 L N 0.109 121.217 121.223 -0.193 0.000 2.046 216 L HA -0.233 4.106 4.340 -0.001 0.000 0.208 216 L C 2.699 179.552 176.870 -0.029 0.000 1.077 216 L CA 1.272 55.938 54.840 -0.291 0.000 0.747 216 L CB -0.718 40.987 42.059 -0.590 0.000 0.896 216 L HN 0.347 nan 8.230 nan 0.000 0.432 217 Q N 1.058 120.805 119.800 -0.089 0.000 2.224 217 Q HA -0.192 4.147 4.340 -0.001 0.000 0.203 217 Q C 1.713 177.672 176.000 -0.069 0.000 0.970 217 Q CA 1.451 57.222 55.803 -0.053 0.000 0.865 217 Q CB 0.118 28.793 28.738 -0.105 0.000 0.922 217 Q HN 0.471 nan 8.270 nan 0.000 0.445 218 K N -0.448 119.872 120.400 -0.134 0.000 2.487 218 K HA 0.094 4.414 4.320 -0.001 0.000 0.192 218 K C 0.745 177.310 176.600 -0.057 0.000 1.027 218 K CA 0.194 56.399 56.287 -0.137 0.000 1.054 218 K CB 0.479 32.829 32.500 -0.250 0.000 0.824 218 K HN -0.058 nan 8.250 nan 0.000 0.510 219 S N -0.366 115.354 115.700 0.033 0.000 2.754 219 S HA 0.204 4.674 4.470 -0.001 0.000 0.247 219 S C 0.803 175.500 174.600 0.161 0.000 1.031 219 S CA 0.113 58.380 58.200 0.111 0.000 1.014 219 S CB 1.325 64.634 63.200 0.182 0.000 0.918 219 S HN 0.521 nan 8.310 nan 0.000 0.519 220 G N 1.206 110.056 108.800 0.083 0.000 2.175 220 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.244 220 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.244 220 G C -0.014 174.861 174.900 -0.042 0.000 0.982 220 G CA -0.486 44.605 45.100 -0.015 0.000 0.641 220 G HN 0.427 nan 8.290 nan 0.000 0.527 221 F N 0.512 120.421 119.950 -0.069 0.000 2.450 221 F HA 0.572 5.098 4.527 -0.001 0.000 0.339 221 F C 1.620 177.360 175.800 -0.100 0.000 1.146 221 F CA 0.135 58.090 58.000 -0.075 0.000 1.267 221 F CB 0.898 39.857 39.000 -0.068 0.000 1.178 221 F HN -0.185 nan 8.300 nan 0.000 0.585 222 K N 0.699 121.115 120.400 0.026 0.000 2.464 222 K HA 0.252 4.571 4.320 -0.001 0.000 0.206 222 K C -0.431 176.104 176.600 -0.108 0.000 1.186 222 K CA 0.255 56.498 56.287 -0.073 0.000 0.990 222 K CB 0.351 32.759 32.500 -0.154 0.000 1.003 222 K HN 0.531 nan 8.250 nan 0.000 0.562 223 N N 0.809 119.427 118.700 -0.137 0.000 2.484 223 N HA 0.395 5.134 4.740 -0.001 0.000 0.269 223 N C -0.925 174.428 175.510 -0.262 0.000 1.237 223 N CA -0.403 52.393 53.050 -0.423 0.000 0.838 223 N CB 2.530 40.190 38.487 -1.378 0.000 1.593 223 N HN -0.072 nan 8.380 nan 0.000 0.485 224 M N -0.356 119.104 119.600 -0.234 0.000 2.569 224 M HA 0.628 5.107 4.480 -0.001 0.000 0.279 224 M C -1.997 174.365 176.300 0.104 0.000 1.253 224 M CA -0.945 54.348 55.300 -0.012 0.000 0.867 224 M CB 2.897 35.477 32.600 -0.033 0.000 1.727 224 M HN 0.470 nan 8.290 nan 0.000 0.467 225 L N 3.678 124.974 121.223 0.122 0.000 2.386 225 L HA 0.875 5.214 4.340 -0.001 0.000 0.271 225 L C -1.449 175.286 176.870 -0.225 0.000 0.993 225 L CA -0.737 54.127 54.840 0.040 0.000 0.819 225 L CB 1.993 44.111 42.059 0.097 0.000 1.294 225 L HN 0.948 nan 8.230 nan 0.000 0.414 226 I N 0.942 121.293 120.570 -0.366 0.000 3.042 226 I HA 0.625 4.794 4.170 -0.001 0.000 0.310 226 I C -0.711 175.101 176.117 -0.509 0.000 1.117 226 I CA -0.563 60.330 61.300 -0.679 0.000 1.003 226 I CB 2.236 39.553 38.000 -1.138 0.000 1.228 226 I HN 0.732 nan 8.210 nan 0.000 0.443 227 Q N 1.960 121.530 119.800 -0.383 0.000 2.536 227 Q HA 0.333 4.672 4.340 -0.001 0.000 0.212 227 Q C 0.018 175.917 176.000 -0.169 0.000 0.743 227 Q CA 0.422 56.078 55.803 -0.245 0.000 0.929 227 Q CB 0.587 29.173 28.738 -0.253 0.000 1.313 227 Q HN 0.655 nan 8.270 nan 0.000 0.524 228 R N 2.105 122.521 120.500 -0.140 0.000 2.608 228 R HA 0.332 4.671 4.340 -0.001 0.000 0.277 228 R C -0.664 175.378 176.300 -0.431 0.000 1.341 228 R CA 0.571 56.333 56.100 -0.564 0.000 1.199 228 R CB 0.162 29.755 30.300 -1.179 0.000 1.156 228 R HN 0.405 nan 8.270 nan 0.000 0.558 229 T N -2.383 112.151 114.554 -0.034 0.000 2.908 229 T HA 0.131 4.480 4.350 -0.001 0.000 0.290 229 T C 0.037 174.995 174.700 0.429 0.000 1.034 229 T CA -0.890 61.319 62.100 0.181 0.000 1.010 229 T CB 1.760 70.576 68.868 -0.086 0.000 1.068 229 T HN 0.417 nan 8.240 nan 0.000 0.481 230 H N 2.080 121.366 119.070 0.361 0.000 3.140 230 H HA -0.052 4.503 4.556 -0.001 0.000 0.316 230 H C 1.060 176.443 175.328 0.091 0.000 0.986 230 H CA 0.437 56.590 56.048 0.175 0.000 1.397 230 H CB 0.311 30.204 29.762 0.219 0.000 1.377 230 H HN 0.931 nan 8.280 nan 0.000 0.585 231 Y N 2.377 122.771 120.300 0.157 0.000 2.256 231 Y HA -0.179 4.370 4.550 -0.001 0.000 0.288 231 Y C 2.190 178.263 175.900 0.287 0.000 1.155 231 Y CA 0.983 59.213 58.100 0.217 0.000 1.203 231 Y CB -0.658 37.865 38.460 0.105 0.000 0.980 231 Y HN 0.300 nan 8.280 nan 0.000 0.530 232 S N 0.312 116.058 115.700 0.076 0.000 2.402 232 S HA -0.116 4.354 4.470 -0.001 0.000 0.229 232 S C 2.077 176.605 174.600 -0.120 0.000 1.021 232 S CA 1.170 59.302 58.200 -0.113 0.000 0.974 232 S CB -0.535 62.367 63.200 -0.496 0.000 0.800 232 S HN 0.377 nan 8.310 nan 0.000 0.484 233 V N 1.965 121.871 119.914 -0.014 0.000 2.358 233 V HA -0.162 3.957 4.120 -0.001 0.000 0.246 233 V C 2.199 178.332 176.094 0.065 0.000 1.047 233 V CA 1.561 63.879 62.300 0.031 0.000 1.035 233 V CB -0.513 31.433 31.823 0.204 0.000 0.658 233 V HN 0.414 nan 8.190 nan 0.000 0.452 234 K N 0.183 120.664 120.400 0.136 0.000 2.063 234 K HA -0.251 4.068 4.320 -0.001 0.000 0.208 234 K C 2.264 178.994 176.600 0.217 0.000 1.048 234 K CA 1.782 58.164 56.287 0.159 0.000 0.928 234 K CB -0.232 32.419 32.500 0.252 0.000 0.713 234 K HN 0.363 nan 8.250 nan 0.000 0.442 235 K N 1.192 121.714 120.400 0.204 0.000 2.057 235 K HA -0.222 4.098 4.320 -0.001 0.000 0.206 235 K C 2.130 178.814 176.600 0.140 0.000 1.050 235 K CA 1.672 58.084 56.287 0.208 0.000 0.935 235 K CB 0.071 32.620 32.500 0.082 0.000 0.715 235 K HN -0.020 nan 8.250 nan 0.000 0.439 236 E N 0.867 121.075 120.200 0.014 0.000 2.047 236 E HA -0.137 4.212 4.350 -0.001 0.000 0.191 236 E C 1.931 178.521 176.600 -0.017 0.000 0.987 236 E CA 1.300 57.668 56.400 -0.053 0.000 0.799 236 E CB -0.140 29.482 29.700 -0.130 0.000 0.752 236 E HN 0.346 nan 8.360 nan 0.000 0.449 237 L N -0.203 121.023 121.223 0.005 0.000 2.109 237 L HA -0.029 4.310 4.340 -0.001 0.000 0.207 237 L C 2.518 179.407 176.870 0.033 0.000 1.086 237 L CA 0.887 55.723 54.840 -0.006 0.000 0.760 237 L CB -0.571 41.468 42.059 -0.033 0.000 0.910 237 L HN 0.203 nan 8.230 nan 0.000 0.437 238 A N -0.247 122.647 122.820 0.122 0.000 1.933 238 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 238 A C 2.226 179.989 177.584 0.299 0.000 1.175 238 A CA 1.475 53.641 52.037 0.216 0.000 0.628 238 A CB -0.440 18.849 19.000 0.482 0.000 0.814 238 A HN 0.477 nan 8.150 nan 0.000 0.444 239 Q N -0.943 118.977 119.800 0.201 0.000 2.226 239 Q HA -0.145 4.195 4.340 -0.001 0.000 0.204 239 Q C 1.328 177.316 176.000 -0.020 0.000 0.975 239 Q CA 1.213 56.989 55.803 -0.044 0.000 0.866 239 Q CB -0.039 28.538 28.738 -0.268 0.000 0.915 239 Q HN 0.634 nan 8.270 nan 0.000 0.440 240 Q N -0.191 119.609 119.800 0.000 0.000 2.247 240 Q HA 0.139 4.479 4.340 -0.001 0.000 0.204 240 Q C -0.369 175.645 176.000 0.023 0.000 0.872 240 Q CA -0.045 55.756 55.803 -0.004 0.000 0.951 240 Q CB 0.695 29.421 28.738 -0.021 0.000 1.099 240 Q HN 0.278 nan 8.270 nan 0.000 0.501 241 R N 0.839 121.358 120.500 0.032 0.000 3.333 241 R HA -0.206 4.134 4.340 -0.001 0.000 0.256 241 R C -0.110 176.219 176.300 0.048 0.000 1.010 241 R CA 0.462 56.571 56.100 0.016 0.000 0.680 241 R CB -1.895 28.439 30.300 0.057 0.000 1.102 241 R HN 0.389 nan 8.270 nan 0.000 0.440 242 Q N 0.054 119.872 119.800 0.029 0.000 2.186 242 Q HA 0.195 4.534 4.340 -0.001 0.000 0.241 242 Q C 1.215 177.290 176.000 0.125 0.000 0.849 242 Q CA -0.223 55.631 55.803 0.085 0.000 1.053 242 Q CB 0.527 29.278 28.738 0.022 0.000 1.146 242 Q HN 0.437 nan 8.270 nan 0.000 0.475 243 L N 0.071 121.303 121.223 0.015 0.000 2.418 243 L HA 0.043 4.383 4.340 -0.001 0.000 0.218 243 L C 0.286 177.152 176.870 -0.007 0.000 1.125 243 L CA 0.929 55.751 54.840 -0.030 0.000 0.835 243 L CB 0.314 42.170 42.059 -0.339 0.000 0.953 243 L HN 0.174 nan 8.230 nan 0.000 0.454 244 E N 0.158 120.400 120.200 0.070 0.000 2.171 244 E HA 0.531 4.881 4.350 -0.001 0.000 0.271 244 E C -1.214 175.323 176.600 -0.105 0.000 0.916 244 E CA -0.549 55.696 56.400 -0.259 0.000 0.774 244 E CB 1.572 31.238 29.700 -0.058 0.000 1.128 244 E HN -0.001 nan 8.360 nan 0.000 0.403 245 F N -0.376 119.310 119.950 -0.440 0.000 2.686 245 F HA 0.467 4.994 4.527 -0.001 0.000 0.311 245 F C -1.485 174.199 175.800 -0.194 0.000 1.128 245 F CA -1.403 56.488 58.000 -0.181 0.000 0.946 245 F CB 0.777 39.702 39.000 -0.125 0.000 1.336 245 F HN 0.163 nan 8.300 nan 0.000 0.457 246 L N 2.631 124.007 121.223 0.254 0.000 2.268 246 L HA 0.160 4.499 4.340 -0.001 0.000 0.289 246 L C -1.056 176.042 176.870 0.380 0.000 1.064 246 L CA -0.209 54.779 54.840 0.246 0.000 0.824 246 L CB 0.454 42.660 42.059 0.245 0.000 1.202 246 L HN 0.585 nan 8.230 nan 0.000 0.433 247 W N 6.874 128.281 121.300 0.177 0.000 2.416 247 W HA 0.320 4.980 4.660 -0.001 0.000 0.318 247 W C 0.235 176.781 176.519 0.045 0.000 1.150 247 W CA -1.278 56.194 57.345 0.212 0.000 1.392 247 W CB 0.409 30.028 29.460 0.265 0.000 1.311 247 W HN 0.509 nan 8.180 nan 0.000 0.436 248 R N 3.743 124.422 120.500 0.299 0.000 2.758 248 R HA 0.532 4.871 4.340 -0.001 0.000 0.265 248 R C -0.038 176.175 176.300 -0.145 0.000 1.016 248 R CA -0.920 55.180 56.100 0.001 0.000 1.040 248 R CB 1.085 31.364 30.300 -0.036 0.000 1.152 248 R HN 0.234 nan 8.270 nan 0.000 0.503 249 Q N 1.391 120.947 119.800 -0.406 0.000 2.421 249 Q HA 0.048 4.388 4.340 -0.001 0.000 0.255 249 Q C 1.460 177.087 176.000 -0.623 0.000 1.013 249 Q CA 0.122 55.497 55.803 -0.712 0.000 0.895 249 Q CB 0.757 28.581 28.738 -1.525 0.000 1.271 249 Q HN 0.848 nan 8.270 nan 0.000 0.460 250 I N -2.125 118.195 120.570 -0.415 0.000 2.567 250 I HA -0.140 4.030 4.170 -0.001 0.000 0.257 250 I C 1.319 177.397 176.117 -0.066 0.000 1.184 250 I CA 1.193 62.404 61.300 -0.148 0.000 1.451 250 I CB -0.369 37.636 38.000 0.009 0.000 1.089 250 I HN 0.672 nan 8.210 nan 0.000 0.441 251 W N 1.486 122.849 121.300 0.105 0.000 3.278 251 W HA 0.352 5.012 4.660 -0.001 0.000 0.308 251 W C 0.211 176.811 176.519 0.136 0.000 1.253 251 W CA -0.658 56.813 57.345 0.209 0.000 1.759 251 W CB -0.678 28.997 29.460 0.359 0.000 1.093 251 W HN -0.048 nan 8.180 nan 0.000 0.648 252 D N 1.786 121.954 120.400 -0.386 0.000 2.393 252 D HA -0.014 4.625 4.640 -0.001 0.000 0.232 252 D C 0.960 177.229 176.300 -0.052 0.000 1.192 252 D CA 0.075 53.939 54.000 -0.226 0.000 0.882 252 D CB 0.402 40.966 40.800 -0.392 0.000 1.038 252 D HN 0.051 nan 8.370 nan 0.000 0.499 253 N N 3.755 122.488 118.700 0.054 0.000 2.216 253 N HA -0.142 4.598 4.740 -0.001 0.000 0.183 253 N C 1.410 176.937 175.510 0.028 0.000 1.017 253 N CA 1.142 54.219 53.050 0.045 0.000 0.861 253 N CB 0.117 38.652 38.487 0.080 0.000 0.986 253 N HN 0.404 nan 8.380 nan 0.000 0.428 254 K N -1.245 119.176 120.400 0.034 0.000 2.211 254 K HA 0.103 4.422 4.320 -0.001 0.000 0.201 254 K C 0.604 177.215 176.600 0.018 0.000 1.052 254 K CA 0.954 57.259 56.287 0.029 0.000 0.973 254 K CB 0.098 32.621 32.500 0.038 0.000 0.766 254 K HN 0.196 nan 8.250 nan 0.000 0.466 255 G N 1.127 109.928 108.800 0.002 0.000 2.144 255 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.218 255 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.218 255 G C 0.094 174.991 174.900 -0.004 0.000 0.988 255 G CA 0.324 45.422 45.100 -0.003 0.000 0.659 255 G HN 0.389 nan 8.290 nan 0.000 0.522 256 D N 0.518 120.915 120.400 -0.005 0.000 2.348 256 D HA 0.010 4.649 4.640 -0.001 0.000 0.216 256 D C 2.577 178.859 176.300 -0.031 0.000 0.970 256 D CA 1.620 55.615 54.000 -0.008 0.000 0.889 256 D CB -0.165 40.637 40.800 0.004 0.000 0.912 256 D HN 0.654 nan 8.370 nan 0.000 0.524 257 T N -2.118 112.405 114.554 -0.053 0.000 3.113 257 T HA 0.288 4.637 4.350 -0.001 0.000 0.256 257 T C 0.985 175.639 174.700 -0.076 0.000 1.131 257 T CA -0.079 61.968 62.100 -0.090 0.000 1.074 257 T CB 0.017 68.805 68.868 -0.133 0.000 0.944 257 T HN 0.045 nan 8.240 nan 0.000 0.516 258 A N 1.312 124.115 122.820 -0.028 0.000 2.483 258 A HA 0.590 4.910 4.320 -0.001 0.000 0.238 258 A C -0.324 177.277 177.584 0.028 0.000 1.070 258 A CA -0.425 51.627 52.037 0.024 0.000 0.770 258 A CB 0.023 19.066 19.000 0.072 0.000 1.008 258 A HN 0.525 nan 8.150 nan 0.000 0.497 259 L N 2.150 123.412 121.223 0.065 0.000 2.438 259 L HA 0.544 4.883 4.340 -0.001 0.000 0.270 259 L C -0.728 176.199 176.870 0.095 0.000 0.972 259 L CA -0.535 54.338 54.840 0.054 0.000 0.831 259 L CB 1.468 43.524 42.059 -0.005 0.000 1.273 259 L HN 0.663 nan 8.230 nan 0.000 0.405 260 F N 3.801 123.708 119.950 -0.073 0.000 2.578 260 F HA 0.387 4.914 4.527 -0.001 0.000 0.381 260 F C 0.072 175.751 175.800 -0.202 0.000 1.069 260 F CA 0.810 58.734 58.000 -0.127 0.000 1.231 260 F CB 0.446 39.385 39.000 -0.103 0.000 1.086 260 F HN 0.564 nan 8.300 nan 0.000 0.564 261 T N 5.410 119.409 114.554 -0.925 0.000 2.861 261 T HA 0.202 4.552 4.350 -0.001 0.000 0.287 261 T C -1.567 172.515 174.700 -1.030 0.000 1.003 261 T CA -0.467 61.153 62.100 -0.801 0.000 0.977 261 T CB 0.893 69.262 68.868 -0.830 0.000 0.996 261 T HN 0.612 nan 8.240 nan 0.000 0.448 262 H N 2.819 121.586 119.070 -0.505 0.000 2.541 262 H HA 0.617 5.172 4.556 -0.001 0.000 0.316 262 H C -0.376 174.758 175.328 -0.322 0.000 1.043 262 H CA -0.756 55.110 56.048 -0.303 0.000 1.232 262 H CB 0.738 30.542 29.762 0.070 0.000 1.406 262 H HN 0.475 nan 8.280 nan 0.000 0.469 263 M N 6.967 126.238 119.600 -0.548 0.000 2.113 263 M HA 0.287 4.767 4.480 -0.001 0.000 0.352 263 M C -0.923 175.123 176.300 -0.424 0.000 1.170 263 M CA -0.573 54.476 55.300 -0.419 0.000 1.053 263 M CB 0.636 33.050 32.600 -0.310 0.000 1.601 263 M HN 0.676 nan 8.290 nan 0.000 0.459 264 M N 6.905 126.350 119.600 -0.257 0.000 2.243 264 M HA 0.197 4.676 4.480 -0.001 0.000 0.341 264 M C -1.607 174.556 176.300 -0.229 0.000 1.130 264 M CA -1.274 53.920 55.300 -0.176 0.000 1.162 264 M CB 0.372 32.892 32.600 -0.133 0.000 1.497 264 M HN 0.472 nan 8.290 nan 0.000 0.456 265 P HA 0.113 nan 4.420 nan 0.000 0.239 265 P C -0.337 176.779 177.300 -0.305 0.000 1.188 265 P CA 0.904 63.700 63.100 -0.507 0.000 0.794 265 P CB 0.354 31.414 31.700 -1.068 0.000 0.937 266 F N -1.875 118.085 119.950 0.017 0.000 2.629 266 F HA 0.301 4.828 4.527 -0.001 0.000 0.386 266 F C 1.955 177.843 175.800 0.147 0.000 1.135 266 F CA -1.454 56.591 58.000 0.076 0.000 1.116 266 F CB -0.860 38.120 39.000 -0.034 0.000 1.426 266 F HN -0.325 nan 8.300 nan 0.000 0.501 267 Y N -0.012 120.433 120.300 0.242 0.000 2.439 267 Y HA 0.161 4.711 4.550 -0.001 0.000 0.292 267 Y C 0.815 176.629 175.900 -0.144 0.000 1.130 267 Y CA 1.205 59.302 58.100 -0.005 0.000 1.254 267 Y CB 0.111 38.462 38.460 -0.180 0.000 1.000 267 Y HN 0.337 nan 8.280 nan 0.000 0.554 268 S N -1.646 113.921 115.700 -0.221 0.000 2.607 268 S HA 0.243 4.713 4.470 -0.001 0.000 0.273 268 S C -0.348 174.176 174.600 -0.127 0.000 1.148 268 S CA -0.418 57.546 58.200 -0.392 0.000 0.833 268 S CB 0.285 63.205 63.200 -0.466 0.000 1.130 268 S HN 0.285 nan 8.310 nan 0.000 0.470 269 Y N 0.885 121.147 120.300 -0.063 0.000 2.490 269 Y HA 0.301 4.851 4.550 -0.001 0.000 0.281 269 Y C 0.422 176.415 175.900 0.155 0.000 1.174 269 Y CA -0.541 57.552 58.100 -0.011 0.000 1.295 269 Y CB -1.003 37.367 38.460 -0.151 0.000 1.062 269 Y HN 0.540 nan 8.280 nan 0.000 0.522 270 D N 0.483 120.898 120.400 0.025 0.000 2.398 270 D HA 0.019 4.659 4.640 -0.001 0.000 0.247 270 D C 1.194 177.628 176.300 0.222 0.000 1.227 270 D CA -0.504 53.602 54.000 0.177 0.000 0.980 270 D CB 0.817 41.681 40.800 0.106 0.000 1.106 270 D HN 0.231 nan 8.370 nan 0.000 0.493 271 I N -0.298 120.379 120.570 0.179 0.000 2.226 271 I HA -0.137 4.032 4.170 -0.001 0.000 0.245 271 I C -0.774 175.383 176.117 0.066 0.000 1.100 271 I CA 0.786 62.175 61.300 0.148 0.000 1.374 271 I CB -1.148 36.927 38.000 0.125 0.000 1.057 271 I HN 0.340 nan 8.210 nan 0.000 0.413 272 P HA -0.163 nan 4.420 nan 0.000 0.221 272 P C 0.572 177.570 177.300 -0.503 0.000 1.145 272 P CA 1.630 64.542 63.100 -0.313 0.000 0.795 272 P CB -0.117 31.367 31.700 -0.360 0.000 0.775 273 H N -2.974 116.094 119.070 -0.003 0.000 2.486 273 H HA 0.223 4.779 4.556 -0.001 0.000 0.284 273 H C 0.821 176.252 175.328 0.170 0.000 1.103 273 H CA 0.526 56.587 56.048 0.021 0.000 1.089 273 H CB -0.162 29.679 29.762 0.132 0.000 1.603 273 H HN 0.096 nan 8.280 nan 0.000 0.557 274 T N -4.170 110.504 114.554 0.200 0.000 3.016 274 T HA -0.012 4.338 4.350 -0.001 0.000 0.271 274 T C 1.751 176.575 174.700 0.207 0.000 0.968 274 T CA 0.345 62.590 62.100 0.241 0.000 0.891 274 T CB -0.708 68.289 68.868 0.216 0.000 1.149 274 T HN 0.508 nan 8.240 nan 0.000 0.524 275 c N 1.421 120.113 118.600 0.154 0.000 2.563 275 c HA 0.719 5.289 4.570 -0.001 0.000 0.268 275 c C 1.310 175.526 174.090 0.209 0.000 1.365 275 c CA 0.381 56.842 56.329 0.220 0.000 1.754 275 c CB -1.094 41.508 42.510 0.153 0.000 1.932 275 c HN 0.881 nan 8.230 nan 0.000 0.536 276 G N -0.264 108.579 108.800 0.072 0.000 2.324 276 G HA2 0.370 4.330 3.960 -0.001 0.000 0.293 276 G HA3 0.370 4.330 3.960 -0.001 0.000 0.293 276 G C -2.735 171.772 174.900 -0.656 0.000 1.297 276 G CA 0.209 45.279 45.100 -0.049 0.000 0.853 276 G HN -0.108 nan 8.290 nan 0.000 0.535 277 P HA 0.092 nan 4.420 nan 0.000 0.229 277 P C -0.082 176.781 177.300 -0.727 0.000 1.160 277 P CA 0.999 63.370 63.100 -1.215 0.000 0.777 277 P CB 0.361 31.675 31.700 -0.642 0.000 0.814 278 D N 0.984 121.085 120.400 -0.498 0.000 2.443 278 D HA 0.137 4.776 4.640 -0.001 0.000 0.221 278 D C -1.485 174.472 176.300 -0.572 0.000 1.097 278 D CA -2.602 51.147 54.000 -0.419 0.000 0.865 278 D CB 1.312 41.951 40.800 -0.268 0.000 1.034 278 D HN 0.007 nan 8.370 nan 0.000 0.511 279 P HA -0.123 nan 4.420 nan 0.000 0.223 279 P C 1.238 177.723 177.300 -1.357 0.000 1.151 279 P CA 0.612 62.968 63.100 -1.240 0.000 0.787 279 P CB 0.492 31.154 31.700 -1.730 0.000 0.788 280 K N 0.384 120.106 120.400 -1.129 0.000 2.147 280 K HA -0.076 4.244 4.320 -0.001 0.000 0.205 280 K C 1.765 178.180 176.600 -0.309 0.000 1.049 280 K CA 1.161 57.102 56.287 -0.576 0.000 0.936 280 K CB -0.229 32.123 32.500 -0.247 0.000 0.722 280 K HN -0.062 nan 8.250 nan 0.000 0.446 281 V N 0.327 120.065 119.914 -0.293 0.000 2.379 281 V HA -0.229 3.891 4.120 -0.001 0.000 0.243 281 V C 2.400 178.460 176.094 -0.057 0.000 1.035 281 V CA 1.361 63.584 62.300 -0.127 0.000 1.035 281 V CB -0.316 31.445 31.823 -0.104 0.000 0.673 281 V HN 0.469 nan 8.190 nan 0.000 0.457 282 c N -0.676 117.810 118.600 -0.190 0.000 2.422 282 c HA -0.190 4.380 4.570 -0.001 0.000 0.279 282 c C 2.985 177.038 174.090 -0.062 0.000 1.305 282 c CA 0.790 57.070 56.329 -0.082 0.000 1.757 282 c CB -1.500 40.886 42.510 -0.207 0.000 1.962 282 c HN 0.763 nan 8.230 nan 0.000 0.499 283 c N 0.846 119.317 118.600 -0.215 0.000 2.419 283 c HA -0.136 4.434 4.570 -0.001 0.000 0.281 283 c C 2.611 176.595 174.090 -0.176 0.000 1.336 283 c CA 1.165 57.420 56.329 -0.122 0.000 1.770 283 c CB -1.452 41.053 42.510 -0.009 0.000 1.929 283 c HN 0.636 nan 8.230 nan 0.000 0.509 284 Q N -1.268 118.378 119.800 -0.256 0.000 2.500 284 Q HA -0.050 4.290 4.340 -0.001 0.000 0.213 284 Q C 0.639 175.993 176.000 -1.077 0.000 0.974 284 Q CA 1.062 56.532 55.803 -0.556 0.000 0.918 284 Q CB -0.054 28.338 28.738 -0.576 0.000 0.980 284 Q HN 0.754 nan 8.270 nan 0.000 0.505 285 F N -0.384 119.279 119.950 -0.478 0.000 2.698 285 F HA 0.165 4.691 4.527 -0.001 0.000 0.304 285 F C 0.186 175.727 175.800 -0.431 0.000 1.108 285 F CA -0.603 57.023 58.000 -0.625 0.000 1.263 285 F CB 0.810 39.689 39.000 -0.202 0.000 1.013 285 F HN -0.147 nan 8.300 nan 0.000 0.532 286 D N 0.071 120.267 120.400 -0.339 0.000 2.485 286 D HA 0.139 4.778 4.640 -0.001 0.000 0.229 286 D C 0.477 176.615 176.300 -0.269 0.000 1.101 286 D CA -0.354 53.558 54.000 -0.147 0.000 0.906 286 D CB 0.063 40.827 40.800 -0.059 0.000 1.019 286 D HN 0.085 nan 8.370 nan 0.000 0.516 287 F N 1.660 121.613 119.950 0.006 0.000 2.771 287 F HA 0.100 4.626 4.527 -0.001 0.000 0.299 287 F C 2.325 178.076 175.800 -0.081 0.000 1.177 287 F CA 0.320 58.298 58.000 -0.036 0.000 1.450 287 F CB 0.104 39.102 39.000 -0.003 0.000 1.114 287 F HN 0.260 nan 8.300 nan 0.000 0.587 288 K N 0.637 120.978 120.400 -0.098 0.000 2.487 288 K HA 0.046 4.365 4.320 -0.001 0.000 0.192 288 K C 1.111 177.677 176.600 -0.057 0.000 1.027 288 K CA 0.243 56.337 56.287 -0.321 0.000 1.054 288 K CB 0.121 32.282 32.500 -0.566 0.000 0.824 288 K HN 0.189 nan 8.250 nan 0.000 0.510 289 R N 0.129 120.620 120.500 -0.017 0.000 2.568 289 R HA 0.185 4.524 4.340 -0.001 0.000 0.288 289 R C 0.847 177.178 176.300 0.052 0.000 1.077 289 R CA -0.123 55.991 56.100 0.023 0.000 1.102 289 R CB 0.197 30.488 30.300 -0.014 0.000 1.278 289 R HN 0.185 nan 8.270 nan 0.000 0.560 290 M N -1.274 118.395 119.600 0.115 0.000 2.441 290 M HA 0.180 4.659 4.480 -0.001 0.000 0.244 290 M C 1.125 177.466 176.300 0.069 0.000 1.122 290 M CA 0.577 55.922 55.300 0.075 0.000 1.041 290 M CB 1.099 33.751 32.600 0.087 0.000 1.438 290 M HN 0.481 nan 8.290 nan 0.000 0.484 291 G N -0.088 108.771 108.800 0.098 0.000 3.465 291 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.196 291 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.196 291 G C 0.978 175.886 174.900 0.013 0.000 1.170 291 G CA 0.241 45.370 45.100 0.048 0.000 0.887 291 G HN 0.400 nan 8.290 nan 0.000 0.444 292 S N 0.244 115.911 115.700 -0.056 0.000 2.474 292 S HA 0.191 4.660 4.470 -0.001 0.000 0.235 292 S C 1.659 176.066 174.600 -0.323 0.000 0.997 292 S CA 1.529 59.591 58.200 -0.229 0.000 0.949 292 S CB -0.419 62.552 63.200 -0.381 0.000 0.766 292 S HN 0.369 nan 8.310 nan 0.000 0.517 293 F N 1.741 121.686 119.950 -0.008 0.000 2.693 293 F HA 0.449 4.976 4.527 -0.001 0.000 0.303 293 F C 1.802 177.599 175.800 -0.006 0.000 1.097 293 F CA -0.217 57.777 58.000 -0.010 0.000 1.330 293 F CB -0.131 38.860 39.000 -0.015 0.000 1.067 293 F HN 0.329 nan 8.300 nan 0.000 0.565 294 G N 1.401 110.275 108.800 0.124 0.000 2.198 294 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.260 294 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.260 294 G C -0.149 174.804 174.900 0.087 0.000 1.025 294 G CA 0.147 45.294 45.100 0.079 0.000 0.769 294 G HN 0.332 nan 8.290 nan 0.000 0.507 295 L N -0.219 121.070 121.223 0.109 0.000 2.323 295 L HA 0.870 5.210 4.340 -0.001 0.000 0.265 295 L C 0.507 177.412 176.870 0.059 0.000 1.012 295 L CA -0.390 54.497 54.840 0.078 0.000 0.820 295 L CB 2.369 44.472 42.059 0.073 0.000 1.334 295 L HN 0.466 nan 8.230 nan 0.000 0.427 296 S N -0.834 114.890 115.700 0.040 0.000 2.688 296 S HA 0.522 4.992 4.470 -0.001 0.000 0.275 296 S C -1.286 173.333 174.600 0.033 0.000 1.175 296 S CA -0.801 57.415 58.200 0.026 0.000 0.818 296 S CB 1.606 64.811 63.200 0.008 0.000 1.157 296 S HN 0.521 nan 8.310 nan 0.000 0.482 297 c N 2.908 121.531 118.600 0.039 0.000 2.255 297 c HA 0.553 5.123 4.570 -0.001 0.000 0.326 297 c C -1.187 172.907 174.090 0.006 0.000 1.258 297 c CA -1.138 55.257 56.329 0.111 0.000 1.676 297 c CB 0.735 43.341 42.510 0.160 0.000 2.314 297 c HN 0.756 nan 8.230 nan 0.000 0.509 298 P HA -0.084 nan 4.420 nan 0.000 0.225 298 P C 1.181 178.207 177.300 -0.457 0.000 1.148 298 P CA 1.257 64.085 63.100 -0.453 0.000 0.779 298 P CB 0.050 31.269 31.700 -0.801 0.000 0.780 299 W N 0.467 121.744 121.300 -0.039 0.000 3.180 299 W HA 0.144 4.804 4.660 -0.001 0.000 0.254 299 W C 0.622 177.113 176.519 -0.046 0.000 1.318 299 W CA 0.222 57.539 57.345 -0.046 0.000 1.608 299 W CB -0.509 28.914 29.460 -0.062 0.000 1.124 299 W HN 0.144 nan 8.180 nan 0.000 0.694 300 K N -1.137 119.321 120.400 0.096 0.000 3.446 300 K HA -0.179 4.140 4.320 -0.001 0.000 0.312 300 K C -0.371 176.252 176.600 0.038 0.000 1.329 300 K CA 0.533 56.843 56.287 0.038 0.000 0.935 300 K CB -2.062 30.447 32.500 0.015 0.000 1.281 300 K HN -0.103 nan 8.250 nan 0.000 0.457 301 V N 1.944 121.893 119.914 0.058 0.000 2.350 301 V HA 0.314 4.434 4.120 -0.001 0.000 0.285 301 V C -1.769 174.309 176.094 -0.027 0.000 1.014 301 V CA -1.558 60.744 62.300 0.004 0.000 0.831 301 V CB 1.277 33.094 31.823 -0.010 0.000 1.000 301 V HN -0.029 nan 8.190 nan 0.000 0.433 302 P HA 0.410 nan 4.420 nan 0.000 0.278 302 P C -2.827 174.378 177.300 -0.159 0.000 1.258 302 P CA -2.131 60.924 63.100 -0.075 0.000 0.811 302 P CB 0.365 32.036 31.700 -0.048 0.000 1.063 303 P HA 0.214 nan 4.420 nan 0.000 0.269 303 P C -0.306 176.880 177.300 -0.189 0.000 1.215 303 P CA 0.229 63.111 63.100 -0.364 0.000 0.780 303 P CB 0.576 31.991 31.700 -0.475 0.000 0.898 304 R N 0.583 120.971 120.500 -0.187 0.000 2.534 304 R HA 0.389 4.729 4.340 -0.001 0.000 0.301 304 R C -0.199 176.151 176.300 0.084 0.000 0.961 304 R CA -0.654 55.416 56.100 -0.051 0.000 0.871 304 R CB 1.209 31.460 30.300 -0.082 0.000 1.170 304 R HN 0.366 nan 8.270 nan 0.000 0.446 305 T N 4.157 118.761 114.554 0.083 0.000 2.905 305 T HA 0.019 4.368 4.350 -0.001 0.000 0.299 305 T C 0.792 175.486 174.700 -0.009 0.000 1.024 305 T CA 0.140 62.270 62.100 0.050 0.000 1.151 305 T CB 0.116 68.990 68.868 0.009 0.000 0.987 305 T HN 0.200 nan 8.240 nan 0.000 0.535 306 I N 4.053 124.572 120.570 -0.084 0.000 2.496 306 I HA 0.246 4.416 4.170 -0.001 0.000 0.285 306 I C 1.016 177.082 176.117 -0.084 0.000 1.080 306 I CA 0.049 61.294 61.300 -0.092 0.000 1.404 306 I CB 0.153 38.058 38.000 -0.158 0.000 1.403 306 I HN 0.775 nan 8.210 nan 0.000 0.539 307 S N 4.025 119.686 115.700 -0.066 0.000 2.697 307 S HA 0.442 4.911 4.470 -0.001 0.000 0.289 307 S C 0.438 175.003 174.600 -0.058 0.000 1.149 307 S CA -0.804 57.364 58.200 -0.053 0.000 0.850 307 S CB 2.128 65.305 63.200 -0.039 0.000 1.151 307 S HN 0.544 nan 8.310 nan 0.000 0.491 308 D N 0.630 121.005 120.400 -0.041 0.000 2.178 308 D HA -0.112 4.528 4.640 -0.001 0.000 0.201 308 D C 1.478 177.747 176.300 -0.052 0.000 0.980 308 D CA 1.467 55.443 54.000 -0.041 0.000 0.842 308 D CB -0.196 40.596 40.800 -0.014 0.000 0.948 308 D HN 0.508 nan 8.370 nan 0.000 0.472 309 Q N 0.422 120.197 119.800 -0.041 0.000 2.311 309 Q HA -0.059 4.281 4.340 -0.001 0.000 0.203 309 Q C 1.281 177.253 176.000 -0.045 0.000 0.954 309 Q CA 0.897 56.679 55.803 -0.036 0.000 0.885 309 Q CB -0.049 28.674 28.738 -0.025 0.000 0.963 309 Q HN 0.381 nan 8.270 nan 0.000 0.471 310 N N -1.800 116.865 118.700 -0.058 0.000 2.171 310 N HA -0.009 4.731 4.740 -0.001 0.000 0.212 310 N C 0.980 176.439 175.510 -0.085 0.000 1.184 310 N CA 0.099 53.116 53.050 -0.056 0.000 0.888 310 N CB -0.154 38.308 38.487 -0.042 0.000 1.038 310 N HN 0.050 nan 8.380 nan 0.000 0.517 311 V N 0.239 120.064 119.914 -0.148 0.000 2.515 311 V HA 0.041 4.160 4.120 -0.001 0.000 0.250 311 V C 2.167 178.058 176.094 -0.339 0.000 1.058 311 V CA 1.805 63.972 62.300 -0.222 0.000 1.064 311 V CB -0.753 30.914 31.823 -0.261 0.000 0.675 311 V HN 0.421 nan 8.190 nan 0.000 0.461 312 A N -0.049 122.550 122.820 -0.368 0.000 1.898 312 A HA -0.017 4.302 4.320 -0.001 0.000 0.216 312 A C 2.435 180.069 177.584 0.084 0.000 1.181 312 A CA 2.018 53.977 52.037 -0.131 0.000 0.620 312 A CB -0.981 18.036 19.000 0.027 0.000 0.819 312 A HN 0.773 nan 8.150 nan 0.000 0.442 313 A N -0.258 122.579 122.820 0.027 0.000 1.877 313 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 313 A C 2.242 179.866 177.584 0.067 0.000 1.186 313 A CA 1.448 53.517 52.037 0.054 0.000 0.620 313 A CB -0.468 18.545 19.000 0.021 0.000 0.822 313 A HN 0.431 nan 8.150 nan 0.000 0.443 314 R N 0.018 120.550 120.500 0.053 0.000 2.096 314 R HA -0.052 4.288 4.340 -0.001 0.000 0.235 314 R C 2.426 178.769 176.300 0.072 0.000 1.127 314 R CA 1.478 57.663 56.100 0.142 0.000 0.968 314 R CB -0.905 29.481 30.300 0.143 0.000 0.861 314 R HN 0.533 nan 8.270 nan 0.000 0.440 315 S N 1.258 116.956 115.700 -0.002 0.000 2.356 315 S HA -0.158 4.312 4.470 -0.001 0.000 0.223 315 S C 1.510 175.971 174.600 -0.231 0.000 1.032 315 S CA 1.497 59.603 58.200 -0.157 0.000 1.005 315 S CB -0.319 62.926 63.200 0.075 0.000 0.867 315 S HN 0.288 nan 8.310 nan 0.000 0.449 316 D N 1.253 121.721 120.400 0.115 0.000 2.133 316 D HA -0.082 4.558 4.640 -0.001 0.000 0.195 316 D C 1.831 178.129 176.300 -0.003 0.000 0.997 316 D CA 0.950 55.071 54.000 0.200 0.000 0.840 316 D CB -0.265 40.700 40.800 0.275 0.000 0.947 316 D HN 0.258 nan 8.370 nan 0.000 0.452 317 L N -0.410 120.789 121.223 -0.040 0.000 2.017 317 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 317 L C 2.346 179.030 176.870 -0.310 0.000 1.073 317 L CA 0.633 55.427 54.840 -0.077 0.000 0.745 317 L CB -0.291 41.800 42.059 0.054 0.000 0.894 317 L HN 0.183 nan 8.230 nan 0.000 0.432 318 L N -1.026 119.831 121.223 -0.611 0.000 2.072 318 L HA -0.112 4.227 4.340 -0.001 0.000 0.205 318 L C 2.297 178.473 176.870 -1.156 0.000 1.079 318 L CA 1.518 55.663 54.840 -1.159 0.000 0.752 318 L CB -0.307 40.763 42.059 -1.648 0.000 0.906 318 L HN -0.080 nan 8.230 nan 0.000 0.436 319 V N -0.023 119.337 119.914 -0.922 0.000 2.490 319 V HA -0.293 3.826 4.120 -0.001 0.000 0.250 319 V C 2.285 178.213 176.094 -0.278 0.000 1.061 319 V CA 1.881 63.794 62.300 -0.645 0.000 1.064 319 V CB -0.774 30.654 31.823 -0.657 0.000 0.670 319 V HN 0.577 nan 8.190 nan 0.000 0.461 320 D N -0.755 119.540 120.400 -0.175 0.000 2.117 320 D HA -0.196 4.443 4.640 -0.001 0.000 0.197 320 D C 2.240 178.517 176.300 -0.039 0.000 0.987 320 D CA 1.119 55.128 54.000 0.015 0.000 0.829 320 D CB 0.007 40.867 40.800 0.100 0.000 0.961 320 D HN 0.300 nan 8.370 nan 0.000 0.460 321 Q N -0.498 119.205 119.800 -0.161 0.000 2.050 321 Q HA -0.139 4.201 4.340 -0.001 0.000 0.202 321 Q C 2.144 178.162 176.000 0.030 0.000 0.980 321 Q CA 0.971 56.707 55.803 -0.113 0.000 0.840 321 Q CB -0.595 28.014 28.738 -0.215 0.000 0.898 321 Q HN 0.540 nan 8.270 nan 0.000 0.424 322 W N 1.565 122.762 121.300 -0.171 0.000 2.335 322 W HA -0.127 4.533 4.660 -0.001 0.000 0.311 322 W C 2.110 178.522 176.519 -0.179 0.000 1.213 322 W CA 0.852 58.098 57.345 -0.166 0.000 1.274 322 W CB -0.725 28.610 29.460 -0.208 0.000 1.148 322 W HN 0.213 nan 8.180 nan 0.000 0.498 323 K N 0.070 120.440 120.400 -0.050 0.000 2.211 323 K HA -0.133 4.187 4.320 -0.001 0.000 0.203 323 K C 1.936 178.381 176.600 -0.259 0.000 1.050 323 K CA 1.164 57.270 56.287 -0.301 0.000 0.945 323 K CB -0.211 31.795 32.500 -0.824 0.000 0.732 323 K HN 0.094 nan 8.250 nan 0.000 0.451 324 K N 0.988 121.326 120.400 -0.104 0.000 2.025 324 K HA -0.135 4.185 4.320 -0.001 0.000 0.207 324 K C 2.092 178.760 176.600 0.113 0.000 1.049 324 K CA 1.127 57.477 56.287 0.105 0.000 0.933 324 K CB 0.001 32.576 32.500 0.125 0.000 0.714 324 K HN 0.009 nan 8.250 nan 0.000 0.438 325 K N 0.824 121.298 120.400 0.123 0.000 2.063 325 K HA -0.147 4.173 4.320 -0.001 0.000 0.208 325 K C 2.037 178.761 176.600 0.207 0.000 1.048 325 K CA 1.323 57.714 56.287 0.172 0.000 0.928 325 K CB -0.106 32.511 32.500 0.195 0.000 0.713 325 K HN 0.144 nan 8.250 nan 0.000 0.442 326 A N 1.182 124.104 122.820 0.171 0.000 2.019 326 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 326 A C 1.701 179.454 177.584 0.281 0.000 1.164 326 A CA 1.328 53.504 52.037 0.231 0.000 0.644 326 A CB -0.318 18.782 19.000 0.166 0.000 0.805 326 A HN 0.301 nan 8.150 nan 0.000 0.449 327 E N -0.036 120.302 120.200 0.231 0.000 2.333 327 E HA -0.086 4.264 4.350 -0.001 0.000 0.198 327 E C 1.554 178.279 176.600 0.209 0.000 1.007 327 E CA 0.633 57.178 56.400 0.242 0.000 0.845 327 E CB -0.220 29.648 29.700 0.279 0.000 0.766 327 E HN 0.722 nan 8.360 nan 0.000 0.507 328 L N -0.676 120.630 121.223 0.139 0.000 2.591 328 L HA 0.060 4.400 4.340 -0.001 0.000 0.228 328 L C 0.158 176.822 176.870 -0.343 0.000 1.133 328 L CA 0.193 54.985 54.840 -0.080 0.000 0.880 328 L CB -0.015 41.886 42.059 -0.265 0.000 1.033 328 L HN -0.008 nan 8.230 nan 0.000 0.450 329 Y N -1.562 118.823 120.300 0.142 0.000 2.602 329 Y HA 0.378 4.927 4.550 -0.001 0.000 0.342 329 Y C 1.119 177.135 175.900 0.194 0.000 1.029 329 Y CA -0.958 57.247 58.100 0.175 0.000 1.080 329 Y CB 1.255 39.830 38.460 0.191 0.000 1.284 329 Y HN -0.270 nan 8.280 nan 0.000 0.485 330 R N -0.509 120.227 120.500 0.393 0.000 2.254 330 R HA 0.085 4.424 4.340 -0.001 0.000 0.195 330 R C 0.348 176.776 176.300 0.214 0.000 0.957 330 R CA 0.730 56.970 56.100 0.233 0.000 1.024 330 R CB 0.252 30.617 30.300 0.108 0.000 0.952 330 R HN 0.762 nan 8.270 nan 0.000 0.484 331 T N -0.867 113.857 114.554 0.283 0.000 2.922 331 T HA 0.105 4.455 4.350 -0.001 0.000 0.281 331 T C 0.638 175.487 174.700 0.248 0.000 1.005 331 T CA -0.936 61.300 62.100 0.226 0.000 0.982 331 T CB 1.176 70.154 68.868 0.184 0.000 1.158 331 T HN 0.071 nan 8.240 nan 0.000 0.566 332 N N -0.003 118.816 118.700 0.199 0.000 2.327 332 N HA 0.139 4.878 4.740 -0.001 0.000 0.231 332 N C -0.685 174.803 175.510 -0.037 0.000 1.130 332 N CA -0.364 52.757 53.050 0.119 0.000 0.845 332 N CB -0.171 38.294 38.487 -0.036 0.000 1.073 332 N HN 0.376 nan 8.380 nan 0.000 0.496 333 V N 1.262 121.193 119.914 0.027 0.000 2.409 333 V HA 0.412 4.531 4.120 -0.001 0.000 0.291 333 V C -0.614 175.563 176.094 0.138 0.000 1.020 333 V CA -0.968 61.351 62.300 0.032 0.000 0.848 333 V CB 1.535 33.352 31.823 -0.010 0.000 0.990 333 V HN 0.172 nan 8.190 nan 0.000 0.430 334 L N 5.739 126.987 121.223 0.042 0.000 2.341 334 L HA 0.682 5.022 4.340 -0.001 0.000 0.278 334 L C -0.833 175.904 176.870 -0.222 0.000 1.005 334 L CA -0.479 54.302 54.840 -0.098 0.000 0.818 334 L CB 1.664 43.565 42.059 -0.263 0.000 1.259 334 L HN 0.634 nan 8.230 nan 0.000 0.418 335 L N 6.403 127.282 121.223 -0.574 0.000 2.265 335 L HA 0.546 4.886 4.340 -0.001 0.000 0.288 335 L C -1.002 175.570 176.870 -0.496 0.000 1.058 335 L CA 0.163 54.499 54.840 -0.840 0.000 0.809 335 L CB 0.708 41.767 42.059 -1.666 0.000 1.179 335 L HN 0.434 nan 8.230 nan 0.000 0.429 336 I N 7.483 127.843 120.570 -0.349 0.000 2.502 336 I HA 0.334 4.504 4.170 -0.001 0.000 0.276 336 I C -2.279 173.810 176.117 -0.047 0.000 1.057 336 I CA -2.007 59.180 61.300 -0.188 0.000 1.163 336 I CB 0.990 38.842 38.000 -0.248 0.000 1.288 336 I HN 0.420 nan 8.210 nan 0.000 0.479 337 P HA 0.130 nan 4.420 nan 0.000 0.269 337 P C -0.415 177.062 177.300 0.295 0.000 1.209 337 P CA -0.210 63.020 63.100 0.216 0.000 0.776 337 P CB 0.829 32.696 31.700 0.278 0.000 0.876 338 L N 2.978 124.416 121.223 0.358 0.000 2.454 338 L HA 0.757 5.097 4.340 -0.001 0.000 0.258 338 L C -0.098 176.845 176.870 0.122 0.000 1.025 338 L CA 0.381 55.352 54.840 0.219 0.000 0.901 338 L CB 0.447 42.566 42.059 0.100 0.000 1.210 338 L HN 0.615 nan 8.230 nan 0.000 0.457 339 G N 1.644 110.399 108.800 -0.075 0.000 2.342 339 G HA2 0.480 4.440 3.960 -0.001 0.000 0.297 339 G HA3 0.480 4.440 3.960 -0.001 0.000 0.297 339 G C -2.185 172.603 174.900 -0.186 0.000 1.313 339 G CA -0.222 44.592 45.100 -0.477 0.000 0.830 339 G HN 0.387 nan 8.290 nan 0.000 0.506 340 D N -1.782 118.568 120.400 -0.083 0.000 2.879 340 D HA 0.292 4.932 4.640 -0.001 0.000 0.346 340 D C -1.503 174.932 176.300 0.225 0.000 1.390 340 D CA -0.447 53.690 54.000 0.228 0.000 0.838 340 D CB 1.300 42.193 40.800 0.155 0.000 1.416 340 D HN 0.229 nan 8.370 nan 0.000 0.493 341 D N 0.460 121.055 120.400 0.325 0.000 2.450 341 D HA 0.190 4.829 4.640 -0.001 0.000 0.247 341 D C 0.261 176.705 176.300 0.239 0.000 1.162 341 D CA 0.537 54.698 54.000 0.268 0.000 0.879 341 D CB -0.291 40.777 40.800 0.446 0.000 1.163 341 D HN 0.344 nan 8.370 nan 0.000 0.472 342 F N 0.181 120.180 119.950 0.082 0.000 3.048 342 F HA -0.309 4.218 4.527 -0.001 0.000 0.269 342 F C 1.117 176.949 175.800 0.054 0.000 0.960 342 F CA 0.638 58.668 58.000 0.049 0.000 0.909 342 F CB -0.946 38.070 39.000 0.028 0.000 0.837 342 F HN 0.223 nan 8.300 nan 0.000 0.768 343 R N -0.540 120.042 120.500 0.137 0.000 2.580 343 R HA 0.498 4.837 4.340 -0.001 0.000 0.267 343 R C 0.709 177.026 176.300 0.027 0.000 1.125 343 R CA -0.786 55.279 56.100 -0.058 0.000 1.188 343 R CB -0.062 30.092 30.300 -0.243 0.000 1.155 343 R HN 0.181 nan 8.270 nan 0.000 0.586 344 F N -0.623 119.141 119.950 -0.310 0.000 3.040 344 F HA -0.281 4.246 4.527 -0.001 0.000 0.298 344 F C 1.334 177.063 175.800 -0.118 0.000 0.948 344 F CA 1.003 58.595 58.000 -0.680 0.000 1.022 344 F CB -1.062 37.246 39.000 -1.153 0.000 1.023 344 F HN 0.598 nan 8.300 nan 0.000 0.742 345 K N -0.067 120.365 120.400 0.054 0.000 2.102 345 K HA 0.057 4.376 4.320 -0.001 0.000 0.208 345 K C 0.697 177.442 176.600 0.242 0.000 1.027 345 K CA 0.597 57.006 56.287 0.203 0.000 0.958 345 K CB 0.166 32.755 32.500 0.149 0.000 0.819 345 K HN 0.255 nan 8.250 nan 0.000 0.453 346 Q N 1.530 121.432 119.800 0.169 0.000 2.352 346 Q HA 0.076 4.416 4.340 -0.001 0.000 0.260 346 Q C 0.619 176.795 176.000 0.294 0.000 0.976 346 Q CA -0.040 55.895 55.803 0.220 0.000 0.881 346 Q CB 0.907 29.820 28.738 0.292 0.000 1.235 346 Q HN 0.260 nan 8.270 nan 0.000 0.419 347 N N 0.675 119.547 118.700 0.286 0.000 2.149 347 N HA -0.170 4.570 4.740 -0.001 0.000 0.188 347 N C 1.392 177.058 175.510 0.259 0.000 1.019 347 N CA 1.982 55.229 53.050 0.328 0.000 0.857 347 N CB -0.304 38.384 38.487 0.335 0.000 0.997 347 N HN 0.769 nan 8.380 nan 0.000 0.426 348 T N -1.172 113.537 114.554 0.259 0.000 2.915 348 T HA -0.093 4.257 4.350 -0.001 0.000 0.269 348 T C 1.694 176.581 174.700 0.311 0.000 1.071 348 T CA 1.027 63.293 62.100 0.277 0.000 1.132 348 T CB -0.043 68.977 68.868 0.253 0.000 0.878 348 T HN 0.336 nan 8.240 nan 0.000 0.479 349 E N -0.130 120.200 120.200 0.216 0.000 2.072 349 E HA -0.103 4.247 4.350 -0.001 0.000 0.190 349 E C 1.797 178.296 176.600 -0.168 0.000 0.982 349 E CA 0.741 57.039 56.400 -0.170 0.000 0.803 349 E CB -0.251 29.171 29.700 -0.463 0.000 0.755 349 E HN 0.695 nan 8.360 nan 0.000 0.453 350 W N 1.802 122.990 121.300 -0.188 0.000 2.335 350 W HA -0.202 4.458 4.660 -0.001 0.000 0.311 350 W C 2.138 178.589 176.519 -0.113 0.000 1.213 350 W CA 1.343 58.558 57.345 -0.217 0.000 1.274 350 W CB -0.260 28.685 29.460 -0.858 0.000 1.148 350 W HN 0.191 nan 8.180 nan 0.000 0.498 351 D N -0.613 119.887 120.400 0.166 0.000 2.117 351 D HA -0.171 4.468 4.640 -0.001 0.000 0.197 351 D C 2.265 178.637 176.300 0.119 0.000 0.987 351 D CA 1.453 55.557 54.000 0.174 0.000 0.829 351 D CB -0.970 39.938 40.800 0.181 0.000 0.961 351 D HN 0.040 nan 8.370 nan 0.000 0.460 352 V N 0.902 120.878 119.914 0.104 0.000 2.515 352 V HA -0.190 3.929 4.120 -0.001 0.000 0.250 352 V C 2.183 178.297 176.094 0.033 0.000 1.058 352 V CA 1.493 63.835 62.300 0.069 0.000 1.064 352 V CB -0.042 31.874 31.823 0.155 0.000 0.675 352 V HN 0.137 nan 8.190 nan 0.000 0.461 353 Q N -0.268 119.588 119.800 0.094 0.000 2.049 353 Q HA -0.175 4.165 4.340 -0.001 0.000 0.198 353 Q C 2.344 178.524 176.000 0.300 0.000 0.971 353 Q CA 1.812 57.766 55.803 0.251 0.000 0.833 353 Q CB -0.447 28.410 28.738 0.198 0.000 0.896 353 Q HN 0.613 nan 8.270 nan 0.000 0.434 354 R N 0.503 121.147 120.500 0.239 0.000 2.073 354 R HA -0.097 4.242 4.340 -0.001 0.000 0.234 354 R C 2.211 178.663 176.300 0.253 0.000 1.134 354 R CA 1.282 57.565 56.100 0.306 0.000 0.952 354 R CB -0.035 30.401 30.300 0.227 0.000 0.850 354 R HN 0.052 nan 8.270 nan 0.000 0.433 355 V N 1.888 121.865 119.914 0.105 0.000 2.358 355 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 355 V C 1.981 178.003 176.094 -0.119 0.000 1.047 355 V CA 1.773 64.086 62.300 0.022 0.000 1.035 355 V CB -0.581 31.247 31.823 0.008 0.000 0.658 355 V HN 0.432 nan 8.190 nan 0.000 0.452 356 N N -0.655 117.859 118.700 -0.311 0.000 2.142 356 N HA -0.161 4.578 4.740 -0.001 0.000 0.186 356 N C 1.856 177.037 175.510 -0.548 0.000 1.023 356 N CA 1.591 54.240 53.050 -0.668 0.000 0.852 356 N CB -0.310 37.127 38.487 -1.749 0.000 0.998 356 N HN 0.505 nan 8.380 nan 0.000 0.424 357 Y N 2.024 122.120 120.300 -0.341 0.000 2.242 357 Y HA -0.086 4.463 4.550 -0.001 0.000 0.291 357 Y C 2.387 177.758 175.900 -0.882 0.000 1.137 357 Y CA 1.087 58.860 58.100 -0.546 0.000 1.181 357 Y CB -0.133 38.134 38.460 -0.322 0.000 0.989 357 Y HN 0.136 nan 8.280 nan 0.000 0.527 358 E N -0.253 119.796 120.200 -0.252 0.000 2.085 358 E HA -0.249 4.100 4.350 -0.001 0.000 0.194 358 E C 2.242 178.785 176.600 -0.095 0.000 0.994 358 E CA 1.221 57.560 56.400 -0.100 0.000 0.801 358 E CB -0.160 29.603 29.700 0.106 0.000 0.743 358 E HN 0.464 nan 8.360 nan 0.000 0.453 359 R N 0.334 120.757 120.500 -0.128 0.000 2.081 359 R HA -0.111 4.228 4.340 -0.001 0.000 0.235 359 R C 2.489 178.753 176.300 -0.060 0.000 1.131 359 R CA 0.919 56.972 56.100 -0.078 0.000 0.960 359 R CB -0.294 29.941 30.300 -0.109 0.000 0.856 359 R HN 0.165 nan 8.270 nan 0.000 0.436 360 L N -0.387 120.731 121.223 -0.174 0.000 2.017 360 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 360 L C 2.190 179.104 176.870 0.074 0.000 1.073 360 L CA 1.201 55.978 54.840 -0.105 0.000 0.745 360 L CB -0.454 41.451 42.059 -0.256 0.000 0.894 360 L HN 0.076 nan 8.230 nan 0.000 0.432 361 F N 0.311 120.272 119.950 0.018 0.000 2.126 361 F HA -0.237 4.290 4.527 -0.001 0.000 0.299 361 F C 2.650 178.453 175.800 0.005 0.000 1.096 361 F CA 1.423 59.420 58.000 -0.005 0.000 1.255 361 F CB -1.000 37.954 39.000 -0.076 0.000 0.997 361 F HN 0.233 nan 8.300 nan 0.000 0.479 362 E N -0.758 119.569 120.200 0.212 0.000 2.077 362 E HA -0.284 4.065 4.350 -0.001 0.000 0.193 362 E C 2.216 178.900 176.600 0.141 0.000 0.989 362 E CA 1.466 57.953 56.400 0.145 0.000 0.800 362 E CB -0.247 29.524 29.700 0.117 0.000 0.746 362 E HN 0.499 nan 8.360 nan 0.000 0.452 363 H N 0.292 119.409 119.070 0.077 0.000 2.299 363 H HA -0.045 4.511 4.556 -0.001 0.000 0.302 363 H C 2.051 177.460 175.328 0.136 0.000 1.078 363 H CA 2.147 58.253 56.048 0.097 0.000 1.323 363 H CB -0.200 29.614 29.762 0.086 0.000 1.381 363 H HN 0.149 nan 8.280 nan 0.000 0.498 364 I N 0.464 121.087 120.570 0.088 0.000 2.163 364 I HA -0.300 3.869 4.170 -0.001 0.000 0.243 364 I C 1.663 177.795 176.117 0.025 0.000 1.085 364 I CA 1.445 62.749 61.300 0.006 0.000 1.347 364 I CB -0.311 37.637 38.000 -0.088 0.000 1.044 364 I HN 0.354 nan 8.210 nan 0.000 0.408 365 N N 0.281 118.994 118.700 0.020 0.000 2.459 365 N HA -0.099 4.641 4.740 -0.001 0.000 0.181 365 N C 1.759 177.253 175.510 -0.026 0.000 1.046 365 N CA 1.410 54.450 53.050 -0.017 0.000 0.904 365 N CB -0.223 38.245 38.487 -0.031 0.000 0.964 365 N HN 0.411 nan 8.380 nan 0.000 0.444 366 S N -1.041 114.637 115.700 -0.036 0.000 2.556 366 S HA 0.156 4.625 4.470 -0.001 0.000 0.216 366 S C 0.465 175.018 174.600 -0.078 0.000 0.970 366 S CA -0.262 57.912 58.200 -0.043 0.000 0.912 366 S CB 0.324 63.511 63.200 -0.021 0.000 0.790 366 S HN -0.015 nan 8.310 nan 0.000 0.504 367 Q N 1.235 120.963 119.800 -0.121 0.000 2.466 367 Q HA 0.533 4.873 4.340 -0.001 0.000 0.242 367 Q C 0.830 176.700 176.000 -0.216 0.000 1.046 367 Q CA 0.043 55.737 55.803 -0.181 0.000 0.841 367 Q CB 1.377 29.903 28.738 -0.352 0.000 1.193 367 Q HN 0.436 nan 8.270 nan 0.000 0.508 368 A N 2.500 125.260 122.820 -0.099 0.000 1.978 368 A HA -0.261 4.058 4.320 -0.001 0.000 0.220 368 A C 1.612 179.135 177.584 -0.102 0.000 1.170 368 A CA 2.122 54.117 52.037 -0.071 0.000 0.636 368 A CB -0.715 18.273 19.000 -0.021 0.000 0.810 368 A HN 0.885 nan 8.150 nan 0.000 0.448 369 H N -3.516 115.463 119.070 -0.150 0.000 2.518 369 H HA -0.022 4.534 4.556 -0.001 0.000 0.289 369 H C 1.295 176.539 175.328 -0.139 0.000 1.051 369 H CA 1.474 57.416 56.048 -0.177 0.000 1.280 369 H CB -0.539 29.058 29.762 -0.274 0.000 1.380 369 H HN 0.427 nan 8.280 nan 0.000 0.566 370 F N 0.833 120.485 119.950 -0.495 0.000 2.512 370 F HA 0.061 4.588 4.527 -0.001 0.000 0.296 370 F C 0.722 176.460 175.800 -0.103 0.000 1.110 370 F CA 0.405 58.254 58.000 -0.252 0.000 1.446 370 F CB -0.215 38.604 39.000 -0.302 0.000 1.092 370 F HN 0.156 nan 8.300 nan 0.000 0.554 371 N N 0.615 119.355 118.700 0.066 0.000 2.727 371 N HA -0.166 4.573 4.740 -0.001 0.000 0.249 371 N C -0.957 174.531 175.510 -0.038 0.000 1.048 371 N CA 0.458 53.523 53.050 0.027 0.000 0.714 371 N CB -1.548 36.990 38.487 0.086 0.000 0.959 371 N HN 0.036 nan 8.380 nan 0.000 0.544 372 V N 0.586 120.476 119.914 -0.039 0.000 2.680 372 V HA 0.406 4.525 4.120 -0.001 0.000 0.309 372 V C 0.199 176.208 176.094 -0.142 0.000 1.052 372 V CA -0.655 61.571 62.300 -0.123 0.000 0.908 372 V CB 2.434 34.218 31.823 -0.065 0.000 1.001 372 V HN 0.167 nan 8.190 nan 0.000 0.431 373 Q N 3.080 122.740 119.800 -0.234 0.000 2.339 373 Q HA 0.744 5.084 4.340 -0.001 0.000 0.268 373 Q C -0.789 174.953 176.000 -0.430 0.000 1.027 373 Q CA -0.134 55.506 55.803 -0.272 0.000 0.759 373 Q CB 1.598 30.181 28.738 -0.259 0.000 1.244 373 Q HN 0.988 nan 8.270 nan 0.000 0.464 374 A N 4.358 126.912 122.820 -0.444 0.000 2.337 374 A HA 0.899 5.219 4.320 -0.001 0.000 0.329 374 A C -1.196 175.697 177.584 -1.153 0.000 1.146 374 A CA -0.513 51.095 52.037 -0.716 0.000 0.800 374 A CB 1.181 19.967 19.000 -0.356 0.000 1.220 374 A HN 0.761 nan 8.150 nan 0.000 0.472 375 Q N 1.207 120.224 119.800 -1.306 0.000 2.522 375 Q HA 0.446 4.786 4.340 -0.001 0.000 0.285 375 Q C -1.674 173.876 176.000 -0.750 0.000 0.982 375 Q CA -0.700 54.375 55.803 -1.214 0.000 0.805 375 Q CB 0.541 28.933 28.738 -0.577 0.000 1.457 375 Q HN 0.381 nan 8.270 nan 0.000 0.394 376 F N 0.604 120.442 119.950 -0.188 0.000 2.518 376 F HA 0.600 5.126 4.527 -0.001 0.000 0.359 376 F C 1.254 177.089 175.800 0.058 0.000 1.118 376 F CA 1.486 59.514 58.000 0.046 0.000 1.287 376 F CB 0.825 39.911 39.000 0.143 0.000 1.132 376 F HN 0.748 nan 8.300 nan 0.000 0.587 377 G N 0.299 109.274 108.800 0.292 0.000 2.727 377 G HA2 0.614 4.574 3.960 -0.001 0.000 0.289 377 G HA3 0.614 4.574 3.960 -0.001 0.000 0.289 377 G C -1.084 173.826 174.900 0.016 0.000 1.418 377 G CA -0.641 44.584 45.100 0.207 0.000 0.818 377 G HN 0.715 nan 8.290 nan 0.000 0.486 378 T N -1.863 112.628 114.554 -0.106 0.000 2.937 378 T HA 0.470 4.820 4.350 -0.001 0.000 0.283 378 T C 1.268 175.824 174.700 -0.240 0.000 1.012 378 T CA -0.495 61.502 62.100 -0.173 0.000 0.997 378 T CB 1.538 70.317 68.868 -0.148 0.000 1.136 378 T HN 0.527 nan 8.240 nan 0.000 0.551 379 L N 0.563 121.643 121.223 -0.238 0.000 2.046 379 L HA 0.028 4.367 4.340 -0.001 0.000 0.208 379 L C 2.761 179.592 176.870 -0.065 0.000 1.077 379 L CA 1.983 56.709 54.840 -0.189 0.000 0.747 379 L CB -1.150 40.841 42.059 -0.114 0.000 0.896 379 L HN 0.896 nan 8.230 nan 0.000 0.432 380 Q N -0.076 119.714 119.800 -0.017 0.000 2.124 380 Q HA -0.219 4.121 4.340 -0.001 0.000 0.202 380 Q C 2.065 178.004 176.000 -0.101 0.000 0.977 380 Q CA 1.921 57.746 55.803 0.037 0.000 0.850 380 Q CB -0.169 28.564 28.738 -0.007 0.000 0.901 380 Q HN 0.631 nan 8.270 nan 0.000 0.429 381 E N -1.173 118.879 120.200 -0.247 0.000 2.077 381 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 381 E C 1.694 177.857 176.600 -0.728 0.000 0.989 381 E CA 1.200 57.329 56.400 -0.452 0.000 0.800 381 E CB -0.319 29.058 29.700 -0.537 0.000 0.746 381 E HN 0.486 nan 8.360 nan 0.000 0.452 382 Y N 0.643 120.424 120.300 -0.865 0.000 2.070 382 Y HA -0.279 4.270 4.550 -0.001 0.000 0.280 382 Y C 1.916 177.507 175.900 -0.514 0.000 1.148 382 Y CA 1.664 59.266 58.100 -0.831 0.000 1.125 382 Y CB -0.501 37.504 38.460 -0.758 0.000 0.975 382 Y HN -0.066 nan 8.280 nan 0.000 0.492 383 F N 0.942 120.628 119.950 -0.439 0.000 2.171 383 F HA -0.172 4.354 4.527 -0.001 0.000 0.300 383 F C 2.234 177.804 175.800 -0.384 0.000 1.090 383 F CA 1.717 59.439 58.000 -0.463 0.000 1.293 383 F CB -0.837 38.092 39.000 -0.119 0.000 1.013 383 F HN 0.113 nan 8.300 nan 0.000 0.486 384 D N 0.021 120.366 120.400 -0.092 0.000 2.123 384 D HA -0.160 4.479 4.640 -0.001 0.000 0.196 384 D C 2.357 178.573 176.300 -0.139 0.000 0.992 384 D CA 1.512 55.466 54.000 -0.077 0.000 0.833 384 D CB -0.587 40.156 40.800 -0.094 0.000 0.954 384 D HN 0.241 nan 8.370 nan 0.000 0.455 385 A N 0.452 123.123 122.820 -0.248 0.000 1.930 385 A HA -0.089 4.231 4.320 -0.001 0.000 0.217 385 A C 2.519 179.974 177.584 -0.215 0.000 1.175 385 A CA 0.883 52.819 52.037 -0.168 0.000 0.627 385 A CB -0.615 18.341 19.000 -0.075 0.000 0.815 385 A HN 0.131 nan 8.150 nan 0.000 0.443 386 V N -0.042 119.610 119.914 -0.437 0.000 2.287 386 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 386 V C 2.407 178.306 176.094 -0.325 0.000 1.053 386 V CA 2.148 64.185 62.300 -0.437 0.000 1.027 386 V CB -1.027 30.356 31.823 -0.733 0.000 0.646 386 V HN 0.657 nan 8.190 nan 0.000 0.447 387 H N -0.269 118.679 119.070 -0.204 0.000 2.462 387 H HA -0.078 4.477 4.556 -0.001 0.000 0.292 387 H C 2.408 177.698 175.328 -0.063 0.000 1.049 387 H CA 1.317 57.279 56.048 -0.144 0.000 1.334 387 H CB -0.046 29.593 29.762 -0.206 0.000 1.404 387 H HN 0.564 nan 8.280 nan 0.000 0.544 388 Q N 0.312 120.127 119.800 0.026 0.000 2.124 388 Q HA -0.054 4.286 4.340 -0.001 0.000 0.202 388 Q C 2.552 178.570 176.000 0.029 0.000 0.977 388 Q CA 1.278 57.093 55.803 0.020 0.000 0.850 388 Q CB 0.019 28.756 28.738 -0.001 0.000 0.901 388 Q HN 0.398 nan 8.270 nan 0.000 0.429 389 A N 1.041 123.872 122.820 0.019 0.000 1.898 389 A HA -0.244 4.075 4.320 -0.001 0.000 0.216 389 A C 1.948 179.566 177.584 0.055 0.000 1.181 389 A CA 1.505 53.569 52.037 0.044 0.000 0.620 389 A CB -0.493 18.538 19.000 0.051 0.000 0.819 389 A HN 0.428 nan 8.150 nan 0.000 0.442 390 E N -0.131 120.120 120.200 0.085 0.000 2.077 390 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 390 E C 2.203 178.848 176.600 0.075 0.000 0.989 390 E CA 1.116 57.578 56.400 0.103 0.000 0.800 390 E CB -0.131 29.744 29.700 0.292 0.000 0.746 390 E HN 0.581 nan 8.360 nan 0.000 0.452 391 R N -0.302 120.244 120.500 0.075 0.000 2.148 391 R HA -0.025 4.314 4.340 -0.001 0.000 0.227 391 R C 2.022 178.343 176.300 0.035 0.000 1.103 391 R CA 0.832 56.962 56.100 0.050 0.000 0.983 391 R CB -0.087 30.236 30.300 0.038 0.000 0.874 391 R HN 0.107 nan 8.270 nan 0.000 0.451 392 A N 0.191 123.033 122.820 0.036 0.000 2.259 392 A HA 0.212 4.532 4.320 -0.001 0.000 0.208 392 A C 1.276 178.876 177.584 0.026 0.000 1.201 392 A CA 0.712 52.768 52.037 0.032 0.000 0.824 392 A CB -0.122 18.902 19.000 0.040 0.000 0.838 392 A HN 0.437 nan 8.150 nan 0.000 0.485 393 G N -1.038 107.774 108.800 0.020 0.000 2.136 393 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.242 393 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.242 393 G C 0.759 175.656 174.900 -0.004 0.000 0.989 393 G CA 0.585 45.689 45.100 0.006 0.000 0.682 393 G HN 0.549 nan 8.290 nan 0.000 0.522 394 Q N -0.488 119.316 119.800 0.006 0.000 2.311 394 Q HA 0.493 4.833 4.340 -0.001 0.000 0.203 394 Q C 1.069 177.046 176.000 -0.038 0.000 0.954 394 Q CA 1.420 57.230 55.803 0.013 0.000 0.885 394 Q CB 0.020 28.800 28.738 0.071 0.000 0.963 394 Q HN 1.352 nan 8.270 nan 0.000 0.471 395 A N 0.766 123.518 122.820 -0.113 0.000 2.604 395 A HA 0.459 4.778 4.320 -0.001 0.000 0.295 395 A C -1.615 175.748 177.584 -0.368 0.000 1.067 395 A CA -0.894 50.978 52.037 -0.275 0.000 0.683 395 A CB 1.236 19.978 19.000 -0.431 0.000 1.281 395 A HN 0.283 nan 8.150 nan 0.000 0.407 396 E N 0.683 120.656 120.200 -0.378 0.000 2.256 396 E HA 0.780 5.130 4.350 -0.001 0.000 0.267 396 E C -1.611 174.785 176.600 -0.340 0.000 0.892 396 E CA -0.611 55.630 56.400 -0.264 0.000 0.775 396 E CB 1.783 31.445 29.700 -0.064 0.000 1.207 396 E HN 0.338 nan 8.360 nan 0.000 0.420 397 F N 1.476 121.532 119.950 0.177 0.000 2.470 397 F HA 0.439 4.966 4.527 -0.000 0.000 0.329 397 F C -1.882 174.017 175.800 0.165 0.000 1.072 397 F CA -2.297 55.829 58.000 0.209 0.000 0.989 397 F CB 1.190 40.392 39.000 0.337 0.000 1.193 397 F HN 0.375 nan 8.300 nan 0.000 0.481 398 P HA 0.189 nan 4.420 nan 0.000 0.274 398 P C -0.730 176.711 177.300 0.234 0.000 1.237 398 P CA -0.375 62.855 63.100 0.217 0.000 0.793 398 P CB 0.920 32.715 31.700 0.157 0.000 0.977 399 T N -0.604 114.040 114.554 0.149 0.000 2.907 399 T HA 0.678 5.028 4.350 -0.001 0.000 0.284 399 T C -0.287 174.442 174.700 0.048 0.000 1.004 399 T CA -0.799 61.380 62.100 0.133 0.000 1.063 399 T CB 1.019 69.943 68.868 0.094 0.000 0.992 399 T HN 0.468 nan 8.240 nan 0.000 0.483 400 L N 1.845 123.098 121.223 0.050 0.000 2.445 400 L HA 0.730 5.069 4.340 -0.001 0.000 0.262 400 L C -0.684 176.182 176.870 -0.008 0.000 0.974 400 L CA -0.422 54.340 54.840 -0.131 0.000 0.822 400 L CB 2.184 43.915 42.059 -0.546 0.000 1.339 400 L HN 1.107 nan 8.230 nan 0.000 0.409 401 S N 2.473 118.123 115.700 -0.083 0.000 2.632 401 S HA 1.063 5.532 4.470 -0.001 0.000 0.289 401 S C -0.318 174.217 174.600 -0.109 0.000 1.115 401 S CA -0.026 58.187 58.200 0.022 0.000 0.889 401 S CB 2.051 65.231 63.200 -0.033 0.000 1.116 401 S HN 1.697 nan 8.310 nan 0.000 0.486 402 G N 0.937 109.737 108.800 0.001 0.000 2.331 402 G HA2 0.325 4.284 3.960 -0.001 0.000 0.479 402 G HA3 0.325 4.284 3.960 -0.001 0.000 0.479 402 G C -1.813 173.002 174.900 -0.142 0.000 1.262 402 G CA 0.007 45.007 45.100 -0.166 0.000 1.029 402 G HN 1.301 nan 8.290 nan 0.000 0.487 403 D N -1.755 118.429 120.400 -0.360 0.000 2.687 403 D HA 0.749 5.389 4.640 -0.001 0.000 0.264 403 D C -0.665 175.160 176.300 -0.792 0.000 1.091 403 D CA -1.039 52.775 54.000 -0.310 0.000 1.123 403 D CB 1.086 41.894 40.800 0.014 0.000 1.407 403 D HN 0.383 nan 8.370 nan 0.000 0.591 404 F N -0.468 119.381 119.950 -0.169 0.000 2.761 404 F HA 0.399 4.925 4.527 -0.001 0.000 0.367 404 F C -0.928 174.713 175.800 -0.266 0.000 1.386 404 F CA -0.630 57.263 58.000 -0.178 0.000 1.177 404 F CB 0.158 39.078 39.000 -0.133 0.000 1.092 404 F HN 0.005 nan 8.300 nan 0.000 0.517 405 F N -0.715 119.422 119.950 0.313 0.000 2.538 405 F HA 0.565 5.091 4.527 -0.001 0.000 0.325 405 F C 0.627 176.683 175.800 0.426 0.000 1.066 405 F CA -1.343 56.903 58.000 0.410 0.000 0.946 405 F CB 1.543 40.777 39.000 0.390 0.000 1.199 405 F HN -0.291 nan 8.300 nan 0.000 0.473 406 T N 1.808 116.732 114.554 0.616 0.000 2.806 406 T HA 0.166 4.516 4.350 -0.001 0.000 0.290 406 T C -0.955 174.211 174.700 0.776 0.000 0.966 406 T CA -0.193 62.341 62.100 0.723 0.000 1.060 406 T CB 0.166 69.311 68.868 0.462 0.000 0.927 406 T HN 0.369 nan 8.240 nan 0.000 0.485 407 Y N 2.936 123.571 120.300 0.557 0.000 2.497 407 Y HA 0.429 4.979 4.550 -0.001 0.000 0.334 407 Y C -0.134 175.833 175.900 0.111 0.000 1.199 407 Y CA -1.158 57.101 58.100 0.266 0.000 1.425 407 Y CB 0.155 38.652 38.460 0.061 0.000 1.291 407 Y HN 0.675 nan 8.280 nan 0.000 0.562 408 A N 5.073 127.462 122.820 -0.718 0.000 2.374 408 A HA 0.366 4.686 4.320 -0.001 0.000 0.305 408 A C -0.058 176.913 177.584 -1.022 0.000 1.053 408 A CA -0.266 51.186 52.037 -0.975 0.000 0.726 408 A CB 0.678 18.858 19.000 -1.368 0.000 1.229 408 A HN 0.806 nan 8.150 nan 0.000 0.431 409 D N 1.550 121.497 120.400 -0.754 0.000 2.346 409 D HA 0.048 4.688 4.640 -0.001 0.000 0.206 409 D C 0.518 176.824 176.300 0.009 0.000 1.001 409 D CA 0.532 54.339 54.000 -0.323 0.000 0.871 409 D CB 0.158 40.875 40.800 -0.139 0.000 0.943 409 D HN 0.718 nan 8.370 nan 0.000 0.518 410 R N -1.154 119.295 120.500 -0.085 0.000 2.687 410 R HA 0.364 4.703 4.340 -0.001 0.000 0.265 410 R C 0.106 176.304 176.300 -0.170 0.000 1.048 410 R CA -0.108 55.801 56.100 -0.317 0.000 0.884 410 R CB 0.710 30.897 30.300 -0.188 0.000 1.258 410 R HN 0.002 nan 8.270 nan 0.000 0.469 411 S N 1.024 116.582 115.700 -0.237 0.000 4.046 411 S HA -0.363 4.107 4.470 -0.001 0.000 0.572 411 S C 0.586 175.267 174.600 0.136 0.000 2.022 411 S CA 1.593 59.797 58.200 0.007 0.000 4.201 411 S CB -1.611 61.581 63.200 -0.014 0.000 0.438 411 S HN 1.056 nan 8.310 nan 0.000 0.618 412 D N 1.690 122.160 120.400 0.115 0.000 2.427 412 D HA 0.196 4.835 4.640 -0.001 0.000 0.224 412 D C -0.226 176.182 176.300 0.180 0.000 1.157 412 D CA -0.314 53.819 54.000 0.220 0.000 0.828 412 D CB -1.569 39.354 40.800 0.205 0.000 0.974 412 D HN 0.631 nan 8.370 nan 0.000 0.498 413 N N 0.930 119.636 118.700 0.011 0.000 2.807 413 N HA 0.069 4.808 4.740 -0.001 0.000 0.259 413 N C -0.942 174.587 175.510 0.031 0.000 1.149 413 N CA -0.366 52.698 53.050 0.023 0.000 1.042 413 N CB 0.202 38.689 38.487 -0.001 0.000 1.367 413 N HN 0.132 nan 8.380 nan 0.000 0.516 414 Y N 0.223 120.609 120.300 0.144 0.000 2.316 414 Y HA 0.115 4.665 4.550 -0.001 0.000 0.331 414 Y C 0.123 176.216 175.900 0.321 0.000 1.083 414 Y CA -0.668 57.580 58.100 0.246 0.000 1.206 414 Y CB 0.589 39.140 38.460 0.152 0.000 1.195 414 Y HN 0.413 nan 8.280 nan 0.000 0.497 415 W N 2.409 123.844 121.300 0.224 0.000 1.694 415 W HA 0.210 4.870 4.660 -0.001 0.000 0.425 415 W C 0.907 177.466 176.519 0.067 0.000 0.615 415 W CA -0.574 56.934 57.345 0.271 0.000 2.237 415 W CB -0.570 29.167 29.460 0.461 0.000 1.478 415 W HN 0.551 nan 8.180 nan 0.000 0.427 416 S N -2.095 113.628 115.700 0.038 0.000 2.535 416 S HA 0.113 4.582 4.470 -0.001 0.000 0.214 416 S C 2.002 176.317 174.600 -0.475 0.000 0.980 416 S CA 0.367 58.216 58.200 -0.584 0.000 0.907 416 S CB 0.079 63.257 63.200 -0.036 0.000 0.790 416 S HN 0.337 nan 8.310 nan 0.000 0.510 417 G N 2.088 110.816 108.800 -0.121 0.000 2.418 417 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 417 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 417 G C 1.272 176.145 174.900 -0.045 0.000 1.158 417 G CA 0.982 46.028 45.100 -0.090 0.000 0.771 417 G HN 0.809 nan 8.290 nan 0.000 0.545 418 Y N -0.573 119.696 120.300 -0.053 0.000 2.616 418 Y HA 0.163 4.712 4.550 -0.001 0.000 0.296 418 Y C 1.834 177.859 175.900 0.209 0.000 1.154 418 Y CA -0.338 57.811 58.100 0.082 0.000 1.325 418 Y CB -0.364 38.221 38.460 0.208 0.000 1.007 418 Y HN 0.180 nan 8.280 nan 0.000 0.542 419 Y N 0.653 120.739 120.300 -0.357 0.000 2.574 419 Y HA -0.032 4.518 4.550 -0.001 0.000 0.294 419 Y C 1.685 177.542 175.900 -0.073 0.000 1.142 419 Y CA 0.630 58.561 58.100 -0.282 0.000 1.314 419 Y CB -0.733 37.597 38.460 -0.217 0.000 0.991 419 Y HN 0.308 nan 8.280 nan 0.000 0.555 420 T N -2.749 111.875 114.554 0.116 0.000 2.966 420 T HA 0.081 4.430 4.350 -0.001 0.000 0.254 420 T C 0.704 175.494 174.700 0.150 0.000 0.961 420 T CA -0.081 62.089 62.100 0.117 0.000 0.915 420 T CB 0.048 68.953 68.868 0.063 0.000 1.186 420 T HN -0.069 nan 8.240 nan 0.000 0.505 421 S N 2.486 118.272 115.700 0.144 0.000 2.558 421 S HA 0.203 4.673 4.470 -0.001 0.000 0.293 421 S C 0.395 175.133 174.600 0.230 0.000 1.292 421 S CA -0.009 58.288 58.200 0.161 0.000 1.063 421 S CB 0.094 63.374 63.200 0.133 0.000 0.831 421 S HN 0.399 nan 8.310 nan 0.000 0.499 422 R N 1.126 121.780 120.500 0.256 0.000 3.146 422 R HA -0.121 4.219 4.340 -0.001 0.000 0.250 422 R C -2.051 174.507 176.300 0.430 0.000 0.912 422 R CA 0.648 56.978 56.100 0.382 0.000 0.633 422 R CB -1.762 28.789 30.300 0.418 0.000 1.180 422 R HN 0.498 nan 8.270 nan 0.000 0.464 423 P HA -0.210 nan 4.420 nan 0.000 0.223 423 P C 1.111 178.631 177.300 0.367 0.000 1.151 423 P CA 0.929 64.254 63.100 0.376 0.000 0.787 423 P CB -0.022 31.944 31.700 0.444 0.000 0.788 424 Y N 1.464 121.860 120.300 0.159 0.000 2.128 424 Y HA -0.263 4.287 4.550 -0.001 0.000 0.284 424 Y C 2.307 178.203 175.900 -0.007 0.000 1.154 424 Y CA 2.077 60.190 58.100 0.022 0.000 1.149 424 Y CB -0.926 37.411 38.460 -0.205 0.000 0.976 424 Y HN 0.063 nan 8.280 nan 0.000 0.505 425 H N -0.846 118.481 119.070 0.428 0.000 2.470 425 H HA 0.005 4.560 4.556 -0.001 0.000 0.289 425 H C 2.060 177.547 175.328 0.264 0.000 1.033 425 H CA 1.275 57.494 56.048 0.285 0.000 1.331 425 H CB -0.058 29.954 29.762 0.416 0.000 1.414 425 H HN 0.244 nan 8.280 nan 0.000 0.545 426 K N 0.363 120.992 120.400 0.382 0.000 2.063 426 K HA -0.173 4.146 4.320 -0.001 0.000 0.208 426 K C 2.259 178.921 176.600 0.104 0.000 1.048 426 K CA 1.322 57.769 56.287 0.266 0.000 0.928 426 K CB 0.053 32.686 32.500 0.222 0.000 0.713 426 K HN 0.036 nan 8.250 nan 0.000 0.442 427 R N 1.316 121.846 120.500 0.050 0.000 2.075 427 R HA -0.004 4.336 4.340 -0.001 0.000 0.232 427 R C 2.062 178.109 176.300 -0.422 0.000 1.126 427 R CA 1.436 57.486 56.100 -0.083 0.000 0.963 427 R CB -0.411 29.938 30.300 0.081 0.000 0.858 427 R HN 0.154 nan 8.270 nan 0.000 0.435 428 M N 0.326 119.543 119.600 -0.637 0.000 2.149 428 M HA -0.197 4.282 4.480 -0.001 0.000 0.261 428 M C 1.408 177.382 176.300 -0.542 0.000 1.064 428 M CA 2.377 57.065 55.300 -1.020 0.000 1.102 428 M CB -0.305 31.903 32.600 -0.653 0.000 1.369 428 M HN 0.287 nan 8.290 nan 0.000 0.408 429 D N -0.225 120.048 120.400 -0.212 0.000 2.116 429 D HA -0.219 4.421 4.640 -0.001 0.000 0.193 429 D C 1.889 178.111 176.300 -0.130 0.000 0.998 429 D CA 1.456 55.430 54.000 -0.044 0.000 0.836 429 D CB 0.119 41.044 40.800 0.208 0.000 0.951 429 D HN 0.221 nan 8.370 nan 0.000 0.449 430 R N 0.011 120.408 120.500 -0.170 0.000 2.115 430 R HA 0.002 4.342 4.340 -0.001 0.000 0.226 430 R C 2.425 178.580 176.300 -0.242 0.000 1.100 430 R CA 0.418 56.410 56.100 -0.180 0.000 0.980 430 R CB -0.876 29.334 30.300 -0.149 0.000 0.875 430 R HN 0.261 nan 8.270 nan 0.000 0.445 431 V N 1.551 121.247 119.914 -0.363 0.000 2.295 431 V HA -0.218 3.902 4.120 -0.001 0.000 0.246 431 V C 2.365 178.341 176.094 -0.196 0.000 1.049 431 V CA 1.515 63.599 62.300 -0.360 0.000 1.024 431 V CB -0.581 30.824 31.823 -0.696 0.000 0.648 431 V HN 0.138 nan 8.190 nan 0.000 0.447 432 L N -0.361 120.731 121.223 -0.217 0.000 2.093 432 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 432 L C 2.307 179.126 176.870 -0.085 0.000 1.085 432 L CA 2.012 56.798 54.840 -0.091 0.000 0.755 432 L CB -0.710 41.270 42.059 -0.132 0.000 0.904 432 L HN 0.333 nan 8.230 nan 0.000 0.435 433 M N -1.244 118.279 119.600 -0.129 0.000 2.089 433 M HA -0.337 4.142 4.480 -0.001 0.000 0.257 433 M C 2.377 178.580 176.300 -0.160 0.000 1.071 433 M CA 2.469 57.678 55.300 -0.152 0.000 1.096 433 M CB -0.409 32.069 32.600 -0.203 0.000 1.330 433 M HN 0.573 nan 8.290 nan 0.000 0.403 434 H N -0.849 118.062 119.070 -0.265 0.000 2.395 434 H HA -0.138 4.418 4.556 -0.001 0.000 0.299 434 H C 1.408 176.592 175.328 -0.240 0.000 1.070 434 H CA 2.192 58.060 56.048 -0.300 0.000 1.356 434 H CB -0.278 29.230 29.762 -0.425 0.000 1.401 434 H HN 0.473 nan 8.280 nan 0.000 0.524 435 Y N -0.466 119.704 120.300 -0.217 0.000 2.352 435 Y HA -0.104 4.445 4.550 -0.001 0.000 0.292 435 Y C 2.638 178.418 175.900 -0.200 0.000 1.136 435 Y CA 0.991 58.956 58.100 -0.226 0.000 1.227 435 Y CB -0.416 37.980 38.460 -0.106 0.000 0.991 435 Y HN 0.124 nan 8.280 nan 0.000 0.545 436 V N 0.147 120.035 119.914 -0.043 0.000 2.295 436 V HA -0.305 3.815 4.120 -0.001 0.000 0.246 436 V C 2.535 178.568 176.094 -0.103 0.000 1.049 436 V CA 2.167 64.424 62.300 -0.072 0.000 1.024 436 V CB -0.576 31.196 31.823 -0.085 0.000 0.648 436 V HN 0.298 nan 8.190 nan 0.000 0.447 437 R N 0.449 120.855 120.500 -0.156 0.000 2.083 437 R HA -0.189 4.151 4.340 -0.001 0.000 0.237 437 R C 2.246 178.487 176.300 -0.099 0.000 1.137 437 R CA 1.911 57.930 56.100 -0.134 0.000 0.951 437 R CB -0.489 29.717 30.300 -0.157 0.000 0.851 437 R HN 0.465 nan 8.270 nan 0.000 0.434 438 A N 0.595 123.308 122.820 -0.178 0.000 1.930 438 A HA -0.043 4.277 4.320 -0.001 0.000 0.217 438 A C 2.356 179.946 177.584 0.010 0.000 1.175 438 A CA 1.553 53.579 52.037 -0.017 0.000 0.627 438 A CB -0.694 18.267 19.000 -0.065 0.000 0.815 438 A HN 0.570 nan 8.150 nan 0.000 0.443 439 A N -0.169 122.645 122.820 -0.010 0.000 1.898 439 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 439 A C 1.929 179.484 177.584 -0.049 0.000 1.181 439 A CA 1.503 53.528 52.037 -0.020 0.000 0.620 439 A CB -0.471 18.511 19.000 -0.031 0.000 0.819 439 A HN 0.617 nan 8.150 nan 0.000 0.442 440 E N -0.926 119.238 120.200 -0.060 0.000 2.072 440 E HA -0.202 4.148 4.350 -0.001 0.000 0.191 440 E C 2.065 178.612 176.600 -0.087 0.000 0.985 440 E CA 1.367 57.718 56.400 -0.080 0.000 0.801 440 E CB -0.262 29.388 29.700 -0.083 0.000 0.750 440 E HN 0.748 nan 8.360 nan 0.000 0.452 441 M N 0.760 120.333 119.600 -0.046 0.000 2.077 441 M HA -0.152 4.327 4.480 -0.001 0.000 0.261 441 M C 2.188 178.498 176.300 0.017 0.000 1.070 441 M CA 1.377 56.651 55.300 -0.043 0.000 1.125 441 M CB 0.016 32.687 32.600 0.119 0.000 1.339 441 M HN 0.073 nan 8.290 nan 0.000 0.409 442 L N 0.107 121.396 121.223 0.111 0.000 2.079 442 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 442 L C 2.618 179.663 176.870 0.291 0.000 1.081 442 L CA 1.717 56.685 54.840 0.213 0.000 0.752 442 L CB -0.533 41.504 42.059 -0.037 0.000 0.896 442 L HN 0.522 nan 8.230 nan 0.000 0.433 443 S N -1.049 114.734 115.700 0.138 0.000 2.527 443 S HA 0.072 4.541 4.470 -0.001 0.000 0.222 443 S C 1.973 176.745 174.600 0.287 0.000 0.985 443 S CA 0.377 58.725 58.200 0.246 0.000 0.921 443 S CB 0.016 63.162 63.200 -0.090 0.000 0.772 443 S HN 0.294 nan 8.310 nan 0.000 0.529 444 A N 0.874 123.690 122.820 -0.006 0.000 2.067 444 A HA 0.097 4.417 4.320 -0.001 0.000 0.219 444 A C 1.684 179.163 177.584 -0.175 0.000 1.158 444 A CA 0.724 52.659 52.037 -0.170 0.000 0.661 444 A CB -1.159 17.588 19.000 -0.421 0.000 0.801 444 A HN 0.754 nan 8.150 nan 0.000 0.452 445 W N -0.608 120.705 121.300 0.023 0.000 2.392 445 W HA -0.019 4.640 4.660 -0.001 0.000 0.279 445 W C 0.855 177.165 176.519 -0.347 0.000 1.225 445 W CA 1.014 58.275 57.345 -0.140 0.000 1.233 445 W CB -0.148 29.188 29.460 -0.206 0.000 1.122 445 W HN 0.398 nan 8.180 nan 0.000 0.561 446 H N -2.309 116.823 119.070 0.104 0.000 2.731 446 H HA 0.366 4.921 4.556 -0.001 0.000 0.368 446 H C -0.292 174.951 175.328 -0.142 0.000 1.168 446 H CA -0.941 55.016 56.048 -0.152 0.000 1.181 446 H CB 1.591 31.026 29.762 -0.544 0.000 1.743 446 H HN -0.434 nan 8.280 nan 0.000 0.547 447 S N 0.886 116.562 115.700 -0.040 0.000 2.565 447 S HA 0.170 4.640 4.470 -0.001 0.000 0.274 447 S C -1.104 173.399 174.600 -0.162 0.000 1.309 447 S CA -0.526 57.665 58.200 -0.013 0.000 1.043 447 S CB 0.197 63.393 63.200 -0.006 0.000 0.939 447 S HN 0.327 nan 8.310 nan 0.000 0.504 448 W N 1.575 122.872 121.300 -0.006 0.000 2.632 448 W HA 0.337 4.996 4.660 -0.001 0.000 0.328 448 W C -0.001 176.471 176.519 -0.078 0.000 1.044 448 W CA -0.916 56.394 57.345 -0.058 0.000 1.225 448 W CB 0.572 29.958 29.460 -0.122 0.000 1.396 448 W HN 0.585 nan 8.180 nan 0.000 0.499 449 D N 0.917 121.391 120.400 0.123 0.000 2.449 449 D HA 0.124 4.763 4.640 -0.001 0.000 0.236 449 D C 1.679 177.989 176.300 0.016 0.000 1.149 449 D CA 1.180 55.227 54.000 0.077 0.000 0.878 449 D CB 1.218 42.104 40.800 0.143 0.000 1.198 449 D HN 0.561 nan 8.370 nan 0.000 0.446 450 G N 2.933 111.751 108.800 0.029 0.000 2.462 450 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.220 450 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.220 450 G C 1.293 176.181 174.900 -0.020 0.000 1.121 450 G CA 0.450 45.553 45.100 0.004 0.000 0.758 450 G HN 0.504 nan 8.290 nan 0.000 0.559 451 M N 0.892 120.500 119.600 0.012 0.000 2.460 451 M HA 0.116 4.595 4.480 -0.001 0.000 0.263 451 M C 2.769 179.031 176.300 -0.063 0.000 1.071 451 M CA 0.865 56.205 55.300 0.066 0.000 1.096 451 M CB -0.631 32.112 32.600 0.239 0.000 1.408 451 M HN 0.313 nan 8.290 nan 0.000 0.463 452 A N 0.128 122.661 122.820 -0.479 0.000 2.119 452 A HA -0.044 4.275 4.320 -0.001 0.000 0.217 452 A C 1.283 178.679 177.584 -0.313 0.000 1.153 452 A CA 0.430 51.997 52.037 -0.784 0.000 0.692 452 A CB -0.361 17.973 19.000 -1.110 0.000 0.799 452 A HN 0.587 nan 8.150 nan 0.000 0.458 453 R N -1.805 118.581 120.500 -0.189 0.000 3.758 453 R HA -0.185 4.154 4.340 -0.001 0.000 0.299 453 R C 0.728 176.925 176.300 -0.171 0.000 1.182 453 R CA 0.737 56.763 56.100 -0.124 0.000 0.809 453 R CB -2.116 28.142 30.300 -0.070 0.000 1.249 453 R HN 0.478 nan 8.270 nan 0.000 0.497 454 I N 0.615 121.033 120.570 -0.254 0.000 2.142 454 I HA -0.210 3.959 4.170 -0.001 0.000 0.240 454 I C 2.148 178.147 176.117 -0.198 0.000 1.078 454 I CA 1.766 62.871 61.300 -0.326 0.000 1.343 454 I CB -0.715 36.953 38.000 -0.552 0.000 1.046 454 I HN 0.217 nan 8.210 nan 0.000 0.405 455 E N 0.666 120.787 120.200 -0.132 0.000 2.118 455 E HA -0.245 4.104 4.350 -0.001 0.000 0.195 455 E C 2.108 178.664 176.600 -0.074 0.000 0.992 455 E CA 1.333 57.683 56.400 -0.084 0.000 0.804 455 E CB -0.244 29.430 29.700 -0.045 0.000 0.741 455 E HN 0.507 nan 8.360 nan 0.000 0.458 456 E N 0.443 120.602 120.200 -0.070 0.000 2.051 456 E HA -0.240 4.109 4.350 -0.001 0.000 0.192 456 E C 1.933 178.494 176.600 -0.065 0.000 0.991 456 E CA 0.991 57.359 56.400 -0.053 0.000 0.799 456 E CB 0.094 29.769 29.700 -0.043 0.000 0.748 456 E HN -0.023 nan 8.360 nan 0.000 0.449 457 R N 0.396 120.845 120.500 -0.085 0.000 2.081 457 R HA -0.017 4.322 4.340 -0.001 0.000 0.235 457 R C 2.419 178.664 176.300 -0.091 0.000 1.131 457 R CA 1.005 57.053 56.100 -0.086 0.000 0.960 457 R CB -0.548 29.690 30.300 -0.102 0.000 0.856 457 R HN 0.282 nan 8.270 nan 0.000 0.436 458 L N -0.123 121.036 121.223 -0.106 0.000 2.093 458 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 458 L C 2.376 179.188 176.870 -0.098 0.000 1.085 458 L CA 1.458 56.236 54.840 -0.102 0.000 0.755 458 L CB -0.425 41.568 42.059 -0.109 0.000 0.904 458 L HN 0.297 nan 8.230 nan 0.000 0.435 459 E N 0.191 120.338 120.200 -0.088 0.000 2.077 459 E HA -0.307 4.043 4.350 -0.001 0.000 0.193 459 E C 2.221 178.753 176.600 -0.112 0.000 0.989 459 E CA 1.352 57.693 56.400 -0.098 0.000 0.800 459 E CB -0.013 29.651 29.700 -0.060 0.000 0.746 459 E HN 0.426 nan 8.360 nan 0.000 0.452 460 Q N -0.027 119.725 119.800 -0.080 0.000 2.084 460 Q HA -0.207 4.132 4.340 -0.001 0.000 0.202 460 Q C 2.082 178.034 176.000 -0.080 0.000 0.978 460 Q CA 1.591 57.353 55.803 -0.068 0.000 0.844 460 Q CB -0.225 28.486 28.738 -0.045 0.000 0.898 460 Q HN 0.356 nan 8.270 nan 0.000 0.426 461 A N 1.104 123.875 122.820 -0.082 0.000 1.902 461 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 461 A C 2.093 179.617 177.584 -0.099 0.000 1.181 461 A CA 1.472 53.463 52.037 -0.078 0.000 0.623 461 A CB -0.500 18.456 19.000 -0.073 0.000 0.818 461 A HN 0.374 nan 8.150 nan 0.000 0.443 462 R N -0.836 119.585 120.500 -0.131 0.000 2.096 462 R HA -0.072 4.267 4.340 -0.001 0.000 0.235 462 R C 2.431 178.585 176.300 -0.244 0.000 1.127 462 R CA 1.514 57.513 56.100 -0.169 0.000 0.968 462 R CB -0.258 29.929 30.300 -0.189 0.000 0.861 462 R HN 0.489 nan 8.270 nan 0.000 0.440 463 R N 0.253 120.576 120.500 -0.294 0.000 2.090 463 R HA -0.057 4.283 4.340 -0.001 0.000 0.228 463 R C 2.021 178.250 176.300 -0.118 0.000 1.110 463 R CA 0.847 56.700 56.100 -0.413 0.000 0.973 463 R CB 0.044 30.116 30.300 -0.379 0.000 0.869 463 R HN 0.188 nan 8.270 nan 0.000 0.440 464 E N 0.806 120.976 120.200 -0.050 0.000 2.107 464 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 464 E C 1.964 178.598 176.600 0.056 0.000 0.982 464 E CA 0.713 57.130 56.400 0.030 0.000 0.809 464 E CB -0.176 29.533 29.700 0.015 0.000 0.756 464 E HN 0.147 nan 8.360 nan 0.000 0.459 465 L N 1.225 122.450 121.223 0.003 0.000 2.056 465 L HA -0.076 4.263 4.340 -0.001 0.000 0.207 465 L C 2.163 179.080 176.870 0.079 0.000 1.078 465 L CA 1.578 56.440 54.840 0.036 0.000 0.749 465 L CB -0.596 41.450 42.059 -0.021 0.000 0.901 465 L HN -0.101 nan 8.230 nan 0.000 0.433 466 S N -0.396 115.312 115.700 0.013 0.000 2.368 466 S HA -0.182 4.287 4.470 -0.001 0.000 0.225 466 S C 1.844 176.579 174.600 0.226 0.000 1.030 466 S CA 1.562 59.802 58.200 0.065 0.000 0.999 466 S CB -0.595 62.539 63.200 -0.111 0.000 0.844 466 S HN 0.478 nan 8.310 nan 0.000 0.459 467 L N 0.733 122.129 121.223 0.289 0.000 2.042 467 L HA -0.033 4.306 4.340 -0.001 0.000 0.210 467 L C 1.873 178.847 176.870 0.174 0.000 1.076 467 L CA 1.660 56.668 54.840 0.279 0.000 0.749 467 L CB -0.642 41.553 42.059 0.227 0.000 0.893 467 L HN 0.284 nan 8.230 nan 0.000 0.432 468 F N -0.181 119.741 119.950 -0.048 0.000 2.451 468 F HA -0.142 4.385 4.527 -0.001 0.000 0.299 468 F C 2.200 177.922 175.800 -0.130 0.000 1.101 468 F CA 0.952 58.816 58.000 -0.227 0.000 1.436 468 F CB -0.226 38.681 39.000 -0.155 0.000 1.074 468 F HN 0.257 nan 8.300 nan 0.000 0.553 469 Q N -0.378 119.401 119.800 -0.035 0.000 2.488 469 Q HA -0.143 4.197 4.340 -0.001 0.000 0.211 469 Q C 0.533 176.477 176.000 -0.092 0.000 0.967 469 Q CA 0.456 56.210 55.803 -0.081 0.000 0.926 469 Q CB -1.337 27.419 28.738 0.030 0.000 0.992 469 Q HN 0.500 nan 8.270 nan 0.000 0.506 470 H N 1.954 120.912 119.070 -0.187 0.000 3.058 470 H HA -0.114 4.442 4.556 -0.001 0.000 0.347 470 H C 1.292 176.458 175.328 -0.269 0.000 1.087 470 H CA 0.749 56.677 56.048 -0.201 0.000 1.375 470 H CB 0.563 30.220 29.762 -0.176 0.000 1.312 470 H HN 0.239 nan 8.280 nan 0.000 0.607 471 H N 1.895 120.535 119.070 -0.716 0.000 2.553 471 H HA 0.013 4.568 4.556 -0.001 0.000 0.269 471 H C -0.338 174.532 175.328 -0.764 0.000 1.011 471 H CA 0.620 56.211 56.048 -0.763 0.000 1.150 471 H CB 0.294 29.587 29.762 -0.781 0.000 1.339 471 H HN 0.598 nan 8.280 nan 0.000 0.604 472 D N 0.467 120.115 120.400 -1.254 0.000 2.469 472 D HA 0.125 4.764 4.640 -0.001 0.000 0.215 472 D C 1.593 177.838 176.300 -0.093 0.000 1.154 472 D CA 0.275 54.094 54.000 -0.301 0.000 0.832 472 D CB 0.873 41.773 40.800 0.165 0.000 1.008 472 D HN 0.532 nan 8.370 nan 0.000 0.506 473 G N 1.267 109.798 108.800 -0.449 0.000 2.600 473 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.225 473 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.225 473 G C 1.354 175.611 174.900 -1.072 0.000 1.623 473 G CA -0.213 44.369 45.100 -0.863 0.000 0.903 473 G HN 0.197 nan 8.290 nan 0.000 0.574 474 I N 2.020 121.679 120.570 -1.518 0.000 2.423 474 I HA -0.195 3.975 4.170 -0.001 0.000 0.254 474 I C 2.893 178.897 176.117 -0.188 0.000 1.151 474 I CA 2.091 62.838 61.300 -0.922 0.000 1.421 474 I CB -0.043 37.618 38.000 -0.565 0.000 1.079 474 I HN 0.380 nan 8.210 nan 0.000 0.431 475 T N -1.686 112.810 114.554 -0.098 0.000 3.007 475 T HA 0.015 4.365 4.350 -0.001 0.000 0.270 475 T C 1.554 176.392 174.700 0.230 0.000 1.107 475 T CA 0.660 62.896 62.100 0.226 0.000 1.118 475 T CB -0.529 68.471 68.868 0.219 0.000 0.889 475 T HN 0.648 nan 8.240 nan 0.000 0.506 476 G N 1.391 110.280 108.800 0.148 0.000 2.176 476 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.252 476 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.252 476 G C 0.570 175.539 174.900 0.114 0.000 1.024 476 G CA 0.653 45.865 45.100 0.188 0.000 0.755 476 G HN 1.138 nan 8.290 nan 0.000 0.507 477 T N -3.229 111.383 114.554 0.097 0.000 3.215 477 T HA 0.735 5.084 4.350 -0.001 0.000 0.271 477 T C 0.884 175.782 174.700 0.329 0.000 1.012 477 T CA 1.021 63.112 62.100 -0.015 0.000 0.899 477 T CB 0.983 69.663 68.868 -0.313 0.000 1.089 477 T HN 1.550 nan 8.240 nan 0.000 0.552 478 A N 1.282 124.312 122.820 0.350 0.000 2.269 478 A HA 0.674 4.994 4.320 -0.001 0.000 0.319 478 A C 0.232 177.920 177.584 0.172 0.000 1.110 478 A CA -0.928 51.349 52.037 0.399 0.000 0.847 478 A CB 0.807 20.069 19.000 0.436 0.000 1.161 478 A HN 0.397 nan 8.150 nan 0.000 0.497 479 K N -0.184 120.240 120.400 0.041 0.000 2.336 479 K HA 0.125 4.444 4.320 -0.001 0.000 0.262 479 K C 1.100 177.709 176.600 0.014 0.000 0.992 479 K CA 0.408 56.700 56.287 0.007 0.000 0.927 479 K CB 0.347 32.837 32.500 -0.018 0.000 0.956 479 K HN 0.743 nan 8.250 nan 0.000 0.495 480 T N 1.401 115.996 114.554 0.069 0.000 2.653 480 T HA -0.207 4.142 4.350 -0.001 0.000 0.268 480 T C 1.649 176.386 174.700 0.062 0.000 1.035 480 T CA 1.854 63.999 62.100 0.074 0.000 1.154 480 T CB -0.416 68.507 68.868 0.091 0.000 0.862 480 T HN 0.690 nan 8.240 nan 0.000 0.441 481 H N 0.473 119.540 119.070 -0.003 0.000 2.495 481 H HA 0.108 4.663 4.556 -0.001 0.000 0.287 481 H C 2.006 177.310 175.328 -0.040 0.000 1.033 481 H CA 0.826 56.864 56.048 -0.016 0.000 1.307 481 H CB -0.744 29.003 29.762 -0.025 0.000 1.401 481 H HN 0.281 nan 8.280 nan 0.000 0.555 482 V N 1.131 120.699 119.914 -0.576 0.000 2.488 482 V HA -0.157 3.962 4.120 -0.001 0.000 0.246 482 V C 3.003 178.914 176.094 -0.304 0.000 1.046 482 V CA 1.050 63.040 62.300 -0.516 0.000 1.053 482 V CB -0.393 31.169 31.823 -0.435 0.000 0.679 482 V HN 0.231 nan 8.190 nan 0.000 0.458 483 V N 0.022 119.890 119.914 -0.077 0.000 2.392 483 V HA -0.232 3.887 4.120 -0.001 0.000 0.249 483 V C 2.462 178.544 176.094 -0.020 0.000 1.059 483 V CA 1.895 64.211 62.300 0.027 0.000 1.051 483 V CB -0.504 31.296 31.823 -0.039 0.000 0.658 483 V HN 0.416 nan 8.190 nan 0.000 0.455 484 V N 0.418 120.327 119.914 -0.009 0.000 2.343 484 V HA -0.307 3.813 4.120 -0.001 0.000 0.247 484 V C 2.317 178.431 176.094 0.034 0.000 1.051 484 V CA 2.450 64.776 62.300 0.044 0.000 1.036 484 V CB -0.692 31.166 31.823 0.058 0.000 0.654 484 V HN 0.643 nan 8.190 nan 0.000 0.451 485 D N -1.052 119.321 120.400 -0.044 0.000 2.123 485 D HA -0.211 4.428 4.640 -0.001 0.000 0.196 485 D C 1.997 178.308 176.300 0.018 0.000 0.992 485 D CA 1.519 55.490 54.000 -0.049 0.000 0.833 485 D CB -0.161 40.548 40.800 -0.152 0.000 0.954 485 D HN 0.489 nan 8.370 nan 0.000 0.455 486 Y N 0.941 121.289 120.300 0.080 0.000 2.181 486 Y HA -0.051 4.499 4.550 -0.001 0.000 0.288 486 Y C 2.421 178.308 175.900 -0.021 0.000 1.146 486 Y CA 1.244 59.390 58.100 0.077 0.000 1.164 486 Y CB -0.739 37.845 38.460 0.207 0.000 0.982 486 Y HN 0.159 nan 8.280 nan 0.000 0.515 487 E N 0.046 120.358 120.200 0.185 0.000 2.072 487 E HA -0.241 4.109 4.350 -0.001 0.000 0.191 487 E C 1.981 178.671 176.600 0.149 0.000 0.985 487 E CA 1.317 57.844 56.400 0.211 0.000 0.801 487 E CB -0.030 29.879 29.700 0.347 0.000 0.750 487 E HN 0.569 nan 8.360 nan 0.000 0.452 488 Q N -0.027 119.845 119.800 0.120 0.000 2.084 488 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 488 Q C 2.345 178.388 176.000 0.072 0.000 0.978 488 Q CA 1.362 57.218 55.803 0.088 0.000 0.844 488 Q CB -0.104 28.676 28.738 0.070 0.000 0.898 488 Q HN 0.207 nan 8.270 nan 0.000 0.426 489 R N 0.133 120.680 120.500 0.079 0.000 2.081 489 R HA -0.062 4.277 4.340 -0.001 0.000 0.235 489 R C 2.272 178.595 176.300 0.038 0.000 1.131 489 R CA 1.433 57.572 56.100 0.065 0.000 0.960 489 R CB -0.166 30.196 30.300 0.103 0.000 0.856 489 R HN 0.286 nan 8.270 nan 0.000 0.436 490 M N -0.014 119.599 119.600 0.022 0.000 2.229 490 M HA -0.156 4.324 4.480 -0.001 0.000 0.264 490 M C 2.254 178.557 176.300 0.005 0.000 1.063 490 M CA 1.260 56.542 55.300 -0.029 0.000 1.114 490 M CB -0.076 32.446 32.600 -0.130 0.000 1.387 490 M HN 0.034 nan 8.290 nan 0.000 0.420 491 Q N 0.935 120.766 119.800 0.052 0.000 2.079 491 Q HA -0.157 4.182 4.340 -0.001 0.000 0.200 491 Q C 1.716 177.733 176.000 0.028 0.000 0.974 491 Q CA 1.614 57.458 55.803 0.069 0.000 0.840 491 Q CB -0.084 28.712 28.738 0.096 0.000 0.898 491 Q HN 0.333 nan 8.270 nan 0.000 0.430 492 E N -0.192 120.020 120.200 0.021 0.000 2.106 492 E HA -0.102 4.248 4.350 -0.001 0.000 0.192 492 E C 1.809 178.400 176.600 -0.016 0.000 0.984 492 E CA 1.107 57.508 56.400 0.003 0.000 0.806 492 E CB -0.421 29.284 29.700 0.008 0.000 0.750 492 E HN 0.447 nan 8.360 nan 0.000 0.458 493 A N 1.185 123.994 122.820 -0.018 0.000 1.902 493 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 493 A C 2.397 179.952 177.584 -0.048 0.000 1.181 493 A CA 1.075 53.091 52.037 -0.036 0.000 0.623 493 A CB -0.721 18.256 19.000 -0.038 0.000 0.818 493 A HN 0.185 nan 8.150 nan 0.000 0.443 494 L N -0.664 120.531 121.223 -0.047 0.000 2.046 494 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 494 L C 2.603 179.408 176.870 -0.107 0.000 1.077 494 L CA 1.762 56.551 54.840 -0.084 0.000 0.747 494 L CB -0.420 41.604 42.059 -0.059 0.000 0.896 494 L HN 0.362 nan 8.230 nan 0.000 0.432 495 K N -0.103 120.257 120.400 -0.067 0.000 2.097 495 K HA -0.163 4.157 4.320 -0.001 0.000 0.206 495 K C 2.227 178.787 176.600 -0.067 0.000 1.049 495 K CA 1.364 57.611 56.287 -0.066 0.000 0.933 495 K CB -0.269 32.207 32.500 -0.041 0.000 0.717 495 K HN 0.302 nan 8.250 nan 0.000 0.442 496 A N 1.113 123.897 122.820 -0.061 0.000 1.902 496 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 496 A C 2.446 179.987 177.584 -0.072 0.000 1.181 496 A CA 1.501 53.500 52.037 -0.063 0.000 0.623 496 A CB -0.967 17.997 19.000 -0.060 0.000 0.818 496 A HN 0.406 nan 8.150 nan 0.000 0.443 497 C N -1.006 118.249 119.300 -0.076 0.000 2.432 497 C HA -0.125 4.334 4.460 -0.001 0.000 0.277 497 C C 2.874 177.825 174.990 -0.064 0.000 1.249 497 C CA 1.269 60.246 59.018 -0.067 0.000 1.725 497 C CB -1.293 26.418 27.740 -0.048 0.000 2.028 497 C HN 0.797 nan 8.230 nan 0.000 0.477 498 Q N 0.354 120.087 119.800 -0.112 0.000 2.096 498 Q HA -0.288 4.052 4.340 -0.001 0.000 0.204 498 Q C 2.151 178.161 176.000 0.017 0.000 0.982 498 Q CA 2.137 57.896 55.803 -0.074 0.000 0.850 498 Q CB -0.280 28.386 28.738 -0.120 0.000 0.901 498 Q HN 0.607 nan 8.270 nan 0.000 0.422 499 M N -0.161 119.427 119.600 -0.019 0.000 2.086 499 M HA -0.131 4.349 4.480 -0.001 0.000 0.261 499 M C 1.820 178.116 176.300 -0.006 0.000 1.067 499 M CA 1.576 56.874 55.300 -0.002 0.000 1.116 499 M CB -0.455 32.126 32.600 -0.031 0.000 1.348 499 M HN 0.128 nan 8.290 nan 0.000 0.407 500 V N 0.283 120.159 119.914 -0.064 0.000 2.295 500 V HA -0.296 3.823 4.120 -0.001 0.000 0.246 500 V C 2.457 178.508 176.094 -0.071 0.000 1.049 500 V CA 2.231 64.444 62.300 -0.144 0.000 1.024 500 V CB -0.709 31.007 31.823 -0.178 0.000 0.648 500 V HN 0.567 nan 8.190 nan 0.000 0.447 501 M N 0.220 119.838 119.600 0.030 0.000 2.080 501 M HA -0.265 4.215 4.480 -0.001 0.000 0.260 501 M C 2.377 178.746 176.300 0.115 0.000 1.068 501 M CA 2.405 57.778 55.300 0.121 0.000 1.109 501 M CB -0.442 32.351 32.600 0.321 0.000 1.342 501 M HN 0.554 nan 8.290 nan 0.000 0.405 502 Q N -0.300 119.639 119.800 0.232 0.000 2.123 502 Q HA -0.116 4.224 4.340 -0.001 0.000 0.199 502 Q C 1.797 177.983 176.000 0.311 0.000 0.966 502 Q CA 1.113 57.077 55.803 0.268 0.000 0.845 502 Q CB -0.635 28.360 28.738 0.428 0.000 0.907 502 Q HN 0.416 nan 8.270 nan 0.000 0.439 503 Q N 0.573 120.542 119.800 0.283 0.000 2.124 503 Q HA -0.066 4.273 4.340 -0.001 0.000 0.202 503 Q C 2.233 178.492 176.000 0.432 0.000 0.977 503 Q CA 1.692 57.744 55.803 0.414 0.000 0.850 503 Q CB -0.160 28.732 28.738 0.257 0.000 0.901 503 Q HN 0.511 nan 8.270 nan 0.000 0.429 504 S N 0.337 116.172 115.700 0.224 0.000 2.368 504 S HA -0.081 4.389 4.470 -0.001 0.000 0.224 504 S C 2.209 176.861 174.600 0.087 0.000 1.029 504 S CA 0.933 59.320 58.200 0.311 0.000 0.988 504 S CB -0.165 63.145 63.200 0.183 0.000 0.838 504 S HN 0.129 nan 8.310 nan 0.000 0.462 505 V N 0.887 120.725 119.914 -0.126 0.000 2.343 505 V HA -0.193 3.927 4.120 -0.001 0.000 0.247 505 V C 2.018 178.088 176.094 -0.040 0.000 1.051 505 V CA 1.854 63.952 62.300 -0.336 0.000 1.036 505 V CB -0.777 30.434 31.823 -1.019 0.000 0.654 505 V HN 0.569 nan 8.190 nan 0.000 0.451 506 Y N 1.342 121.703 120.300 0.101 0.000 2.224 506 Y HA -0.241 4.309 4.550 -0.001 0.000 0.289 506 Y C 2.709 178.693 175.900 0.139 0.000 1.146 506 Y CA 2.182 60.425 58.100 0.239 0.000 1.182 506 Y CB -0.336 38.178 38.460 0.089 0.000 0.983 506 Y HN 0.108 nan 8.280 nan 0.000 0.524 507 R N -0.160 120.247 120.500 -0.156 0.000 2.090 507 R HA -0.072 4.268 4.340 -0.001 0.000 0.228 507 R C 2.109 178.082 176.300 -0.545 0.000 1.110 507 R CA 1.473 57.125 56.100 -0.747 0.000 0.973 507 R CB -0.339 29.535 30.300 -0.710 0.000 0.869 507 R HN 0.454 nan 8.270 nan 0.000 0.440 508 L N 0.265 121.316 121.223 -0.286 0.000 2.291 508 L HA -0.046 4.293 4.340 -0.001 0.000 0.214 508 L C 1.341 178.086 176.870 -0.208 0.000 1.120 508 L CA 0.754 55.388 54.840 -0.344 0.000 0.799 508 L CB 0.144 41.848 42.059 -0.592 0.000 0.925 508 L HN 0.232 nan 8.230 nan 0.000 0.446 509 L N -1.132 120.068 121.223 -0.038 0.000 3.066 509 L HA 0.227 4.566 4.340 -0.001 0.000 0.265 509 L C -0.268 176.677 176.870 0.125 0.000 1.232 509 L CA -0.094 54.816 54.840 0.118 0.000 1.031 509 L CB 0.528 42.813 42.059 0.378 0.000 1.379 509 L HN -0.010 nan 8.230 nan 0.000 0.563 510 T N 0.073 114.610 114.554 -0.028 0.000 2.824 510 T HA 0.181 4.531 4.350 -0.001 0.000 0.282 510 T C -0.149 174.482 174.700 -0.115 0.000 0.993 510 T CA -0.563 61.513 62.100 -0.040 0.000 0.967 510 T CB 2.392 71.211 68.868 -0.083 0.000 0.960 510 T HN 0.027 nan 8.240 nan 0.000 0.441 511 K N 3.914 124.258 120.400 -0.094 0.000 2.504 511 K HA -0.017 4.303 4.320 -0.001 0.000 0.278 511 K C -1.739 174.831 176.600 -0.049 0.000 1.025 511 K CA -1.028 55.214 56.287 -0.076 0.000 1.093 511 K CB 0.444 32.904 32.500 -0.067 0.000 0.873 511 K HN 0.174 nan 8.250 nan 0.000 0.483 512 P HA -0.194 nan 4.420 nan 0.000 0.216 512 P C 0.704 178.014 177.300 0.017 0.000 1.150 512 P CA 1.466 64.542 63.100 -0.041 0.000 0.843 512 P CB 0.166 31.837 31.700 -0.049 0.000 0.787 513 S N -2.321 113.381 115.700 0.002 0.000 2.603 513 S HA 0.098 4.568 4.470 -0.001 0.000 0.220 513 S C 1.537 176.146 174.600 0.016 0.000 0.967 513 S CA 0.334 58.540 58.200 0.010 0.000 0.920 513 S CB -1.089 62.109 63.200 -0.003 0.000 0.773 513 S HN 0.107 nan 8.310 nan 0.000 0.529 514 I N -0.834 119.754 120.570 0.029 0.000 3.790 514 I HA 0.223 4.392 4.170 -0.001 0.000 0.305 514 I C 0.457 176.619 176.117 0.075 0.000 1.253 514 I CA -0.459 60.865 61.300 0.039 0.000 1.355 514 I CB -0.002 38.017 38.000 0.032 0.000 1.137 514 I HN 0.254 nan 8.210 nan 0.000 0.435 515 Y N 2.889 123.142 120.300 -0.080 0.000 2.852 515 Y HA -0.058 4.491 4.550 -0.001 0.000 0.343 515 Y C 0.523 176.400 175.900 -0.039 0.000 1.280 515 Y CA 0.034 58.052 58.100 -0.136 0.000 1.604 515 Y CB 0.376 38.689 38.460 -0.246 0.000 1.216 515 Y HN -0.108 nan 8.280 nan 0.000 0.541 516 S N 8.780 124.284 115.700 -0.326 0.000 2.204 516 S HA 0.351 4.821 4.470 -0.001 0.000 0.147 516 S C -2.820 171.583 174.600 -0.330 0.000 1.711 516 S CA -1.181 56.828 58.200 -0.318 0.000 1.274 516 S CB -0.142 62.989 63.200 -0.116 0.000 1.257 516 S HN 0.657 nan 8.310 nan 0.000 0.404 517 P HA 0.312 nan 4.420 nan 0.000 0.279 517 P C -1.132 175.928 177.300 -0.400 0.000 1.239 517 P CA -0.198 62.688 63.100 -0.356 0.000 0.789 517 P CB 0.801 32.226 31.700 -0.458 0.000 0.933 518 D N 2.193 122.517 120.400 -0.127 0.000 2.349 518 D HA 0.150 4.789 4.640 -0.001 0.000 0.232 518 D C 0.228 176.559 176.300 0.051 0.000 1.071 518 D CA -0.579 53.335 54.000 -0.143 0.000 0.832 518 D CB 0.506 41.257 40.800 -0.081 0.000 1.086 518 D HN 0.065 nan 8.370 nan 0.000 0.504 519 F N 1.557 121.615 119.950 0.181 0.000 2.771 519 F HA -0.061 4.466 4.527 -0.001 0.000 0.299 519 F C 2.444 178.319 175.800 0.125 0.000 1.177 519 F CA 0.302 58.417 58.000 0.192 0.000 1.450 519 F CB -0.305 38.789 39.000 0.157 0.000 1.114 519 F HN 0.322 nan 8.300 nan 0.000 0.587 520 S N -1.770 114.070 115.700 0.234 0.000 2.517 520 S HA 0.084 4.554 4.470 -0.001 0.000 0.214 520 S C 0.506 175.135 174.600 0.049 0.000 0.991 520 S CA -0.357 57.916 58.200 0.121 0.000 0.906 520 S CB -0.655 62.592 63.200 0.079 0.000 0.789 520 S HN 0.092 nan 8.310 nan 0.000 0.513 521 F N 2.995 122.865 119.950 -0.134 0.000 2.410 521 F HA 0.540 5.067 4.527 -0.001 0.000 0.334 521 F C 0.578 176.113 175.800 -0.442 0.000 1.134 521 F CA -0.512 57.254 58.000 -0.391 0.000 1.227 521 F CB 1.369 39.939 39.000 -0.717 0.000 1.194 521 F HN 0.076 nan 8.300 nan 0.000 0.571 522 S N 4.582 119.563 115.700 -1.198 0.000 2.464 522 S HA 0.222 4.692 4.470 -0.001 0.000 0.313 522 S C 0.331 174.401 174.600 -0.882 0.000 1.078 522 S CA -0.417 57.305 58.200 -0.797 0.000 1.096 522 S CB -0.326 62.475 63.200 -0.665 0.000 1.032 522 S HN 0.630 nan 8.310 nan 0.000 0.498 523 Y N 3.884 124.058 120.300 -0.209 0.000 2.365 523 Y HA 0.327 4.876 4.550 -0.001 0.000 0.293 523 Y C 0.232 175.610 175.900 -0.870 0.000 1.119 523 Y CA 0.371 58.183 58.100 -0.480 0.000 1.203 523 Y CB 0.226 38.450 38.460 -0.393 0.000 1.026 523 Y HN 0.573 nan 8.280 nan 0.000 0.549 524 F N -1.189 118.744 119.950 -0.028 0.000 2.588 524 F HA 0.495 5.021 4.527 -0.001 0.000 0.314 524 F C -0.027 175.811 175.800 0.063 0.000 1.069 524 F CA -1.537 56.497 58.000 0.057 0.000 0.931 524 F CB 1.585 40.754 39.000 0.281 0.000 1.260 524 F HN -0.388 nan 8.300 nan 0.000 0.465 525 T N -0.170 114.543 114.554 0.265 0.000 2.885 525 T HA 0.718 5.067 4.350 -0.001 0.000 0.285 525 T C -0.623 174.174 174.700 0.162 0.000 1.019 525 T CA -0.865 61.326 62.100 0.153 0.000 1.010 525 T CB 1.313 70.208 68.868 0.045 0.000 1.022 525 T HN 0.506 nan 8.240 nan 0.000 0.466 526 L N 1.832 123.056 121.223 0.001 0.000 2.397 526 L HA 0.414 4.753 4.340 -0.001 0.000 0.271 526 L C 0.081 176.914 176.870 -0.062 0.000 1.148 526 L CA -0.297 54.446 54.840 -0.162 0.000 0.825 526 L CB 0.648 42.533 42.059 -0.289 0.000 1.117 526 L HN 0.809 nan 8.230 nan 0.000 0.456 527 D N 1.681 122.051 120.400 -0.051 0.000 2.408 527 D HA 0.219 4.858 4.640 -0.001 0.000 0.243 527 D C -1.240 175.000 176.300 -0.099 0.000 1.075 527 D CA -0.384 53.586 54.000 -0.051 0.000 0.832 527 D CB 1.178 41.987 40.800 0.016 0.000 1.162 527 D HN 0.288 nan 8.370 nan 0.000 0.515 528 D N 2.438 122.791 120.400 -0.079 0.000 2.549 528 D HA 0.190 4.830 4.640 -0.001 0.000 0.251 528 D C 0.081 176.330 176.300 -0.085 0.000 1.153 528 D CA -0.450 53.535 54.000 -0.025 0.000 0.861 528 D CB 1.897 42.775 40.800 0.129 0.000 1.207 528 D HN 0.256 nan 8.370 nan 0.000 0.543 529 S N 2.576 118.201 115.700 -0.125 0.000 2.489 529 S HA 0.023 4.493 4.470 -0.001 0.000 0.228 529 S C 1.377 175.937 174.600 -0.067 0.000 0.995 529 S CA 0.568 58.684 58.200 -0.140 0.000 0.934 529 S CB 0.382 63.491 63.200 -0.151 0.000 0.771 529 S HN 0.488 nan 8.310 nan 0.000 0.522 530 R N -0.723 119.771 120.500 -0.011 0.000 2.535 530 R HA 0.215 4.554 4.340 -0.001 0.000 0.323 530 R C -0.618 175.760 176.300 0.131 0.000 0.979 530 R CA -0.111 56.006 56.100 0.028 0.000 1.120 530 R CB 0.786 31.094 30.300 0.014 0.000 1.306 530 R HN 0.348 nan 8.270 nan 0.000 0.540 531 W N 1.517 122.778 121.300 -0.065 0.000 3.042 531 W HA 0.307 4.967 4.660 -0.001 0.000 0.337 531 W C -2.870 173.623 176.519 -0.045 0.000 1.086 531 W CA -2.051 55.256 57.345 -0.063 0.000 1.236 531 W CB 1.899 31.335 29.460 -0.041 0.000 1.381 531 W HN -0.189 nan 8.180 nan 0.000 0.472 532 P HA 0.096 nan 4.420 nan 0.000 0.230 532 P C 0.402 177.359 177.300 -0.572 0.000 1.158 532 P CA 1.628 63.890 63.100 -1.395 0.000 0.769 532 P CB 0.287 31.371 31.700 -1.027 0.000 0.807 533 G N -1.067 107.557 108.800 -0.293 0.000 2.663 533 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.686 533 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.686 533 G C -0.437 174.400 174.900 -0.105 0.000 1.246 533 G CA -0.618 44.397 45.100 -0.142 0.000 0.795 533 G HN 0.021 nan 8.290 nan 0.000 0.627 534 S N 0.552 116.229 115.700 -0.038 0.000 2.506 534 S HA 0.497 4.967 4.470 -0.001 0.000 0.291 534 S C 1.693 176.293 174.600 0.000 0.000 1.230 534 S CA 1.913 60.122 58.200 0.014 0.000 1.107 534 S CB -0.280 62.965 63.200 0.076 0.000 0.942 534 S HN 2.615 nan 8.310 nan 0.000 0.502 535 G N 2.916 111.712 108.800 -0.008 0.000 2.175 535 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.244 535 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.244 535 G C 0.553 175.429 174.900 -0.039 0.000 0.982 535 G CA 0.215 45.305 45.100 -0.016 0.000 0.641 535 G HN 0.737 nan 8.290 nan 0.000 0.527 536 V N -0.574 119.299 119.914 -0.070 0.000 2.521 536 V HA 0.438 4.557 4.120 -0.001 0.000 0.239 536 V C 0.913 176.945 176.094 -0.103 0.000 1.053 536 V CA 1.847 64.088 62.300 -0.098 0.000 1.073 536 V CB 0.615 32.343 31.823 -0.158 0.000 0.746 536 V HN 0.497 nan 8.190 nan 0.000 0.476 537 E N -0.045 120.085 120.200 -0.116 0.000 2.372 537 E HA 0.171 4.520 4.350 -0.001 0.000 0.279 537 E C -1.683 174.882 176.600 -0.059 0.000 0.946 537 E CA -0.562 55.785 56.400 -0.089 0.000 0.769 537 E CB 2.043 31.670 29.700 -0.122 0.000 1.230 537 E HN 0.205 nan 8.360 nan 0.000 0.442 538 D N 2.616 123.002 120.400 -0.024 0.000 2.563 538 D HA 0.042 4.682 4.640 -0.001 0.000 0.222 538 D C -0.014 176.280 176.300 -0.010 0.000 1.145 538 D CA 0.103 54.106 54.000 0.006 0.000 1.001 538 D CB 0.088 40.907 40.800 0.032 0.000 1.049 538 D HN 0.323 nan 8.370 nan 0.000 0.515 539 S N 2.664 118.339 115.700 -0.041 0.000 2.601 539 S HA 0.245 4.715 4.470 -0.001 0.000 0.244 539 S C 0.516 175.080 174.600 -0.059 0.000 1.001 539 S CA -0.686 57.483 58.200 -0.051 0.000 0.984 539 S CB 0.265 63.417 63.200 -0.080 0.000 0.842 539 S HN 0.239 nan 8.310 nan 0.000 0.474 540 R N 1.482 121.948 120.500 -0.057 0.000 2.346 540 R HA 0.442 4.782 4.340 -0.001 0.000 0.311 540 R C -0.598 175.698 176.300 -0.006 0.000 0.983 540 R CA -0.358 55.676 56.100 -0.111 0.000 0.880 540 R CB 1.353 31.432 30.300 -0.368 0.000 1.100 540 R HN 0.236 nan 8.270 nan 0.000 0.453 541 T N 2.047 116.605 114.554 0.007 0.000 2.851 541 T HA 0.082 4.431 4.350 -0.001 0.000 0.298 541 T C 0.249 175.038 174.700 0.148 0.000 0.977 541 T CA 0.059 62.202 62.100 0.072 0.000 1.126 541 T CB 0.927 69.838 68.868 0.072 0.000 0.916 541 T HN 0.385 nan 8.240 nan 0.000 0.529 542 T N 3.999 118.658 114.554 0.174 0.000 2.771 542 T HA 0.373 4.723 4.350 -0.001 0.000 0.291 542 T C 0.715 175.521 174.700 0.176 0.000 0.954 542 T CA -0.503 61.730 62.100 0.221 0.000 1.045 542 T CB 0.249 69.218 68.868 0.169 0.000 0.917 542 T HN 0.419 nan 8.240 nan 0.000 0.484 543 I N 4.488 125.183 120.570 0.208 0.000 2.505 543 I HA 0.135 4.304 4.170 -0.001 0.000 0.287 543 I C 0.184 176.388 176.117 0.144 0.000 1.104 543 I CA -0.116 61.285 61.300 0.168 0.000 1.387 543 I CB 0.261 38.364 38.000 0.173 0.000 1.404 543 I HN 0.361 nan 8.210 nan 0.000 0.528 544 I N 8.249 128.889 120.570 0.117 0.000 2.312 544 I HA 0.378 4.547 4.170 -0.001 0.000 0.290 544 I C -0.027 176.151 176.117 0.101 0.000 1.008 544 I CA -0.212 61.149 61.300 0.101 0.000 1.226 544 I CB 0.765 38.812 38.000 0.079 0.000 1.371 544 I HN 0.433 nan 8.210 nan 0.000 0.468 545 L N 5.326 126.612 121.223 0.106 0.000 2.341 545 L HA 0.959 5.299 4.340 -0.001 0.000 0.267 545 L C 0.165 177.092 176.870 0.095 0.000 1.009 545 L CA -0.614 54.287 54.840 0.102 0.000 0.819 545 L CB 2.448 44.573 42.059 0.110 0.000 1.323 545 L HN 0.702 nan 8.230 nan 0.000 0.425 546 G N -0.005 108.847 108.800 0.087 0.000 2.596 546 G HA2 0.164 4.124 3.960 -0.001 0.000 0.296 546 G HA3 0.164 4.124 3.960 -0.001 0.000 0.296 546 G C -0.160 174.783 174.900 0.070 0.000 1.513 546 G CA -0.320 44.828 45.100 0.080 0.000 0.851 546 G HN 0.736 nan 8.290 nan 0.000 0.548 547 E N -0.020 120.219 120.200 0.066 0.000 2.160 547 E HA -0.148 4.202 4.350 -0.001 0.000 0.195 547 E C 0.768 177.397 176.600 0.047 0.000 0.991 547 E CA 1.646 58.078 56.400 0.054 0.000 0.810 547 E CB 0.109 29.838 29.700 0.047 0.000 0.742 547 E HN 0.395 nan 8.360 nan 0.000 0.466 548 D N -0.211 120.217 120.400 0.047 0.000 2.340 548 D HA 0.110 4.749 4.640 -0.001 0.000 0.217 548 D C 1.256 177.581 176.300 0.043 0.000 1.081 548 D CA 0.214 54.239 54.000 0.040 0.000 0.842 548 D CB 0.803 41.625 40.800 0.036 0.000 0.934 548 D HN 0.368 nan 8.370 nan 0.000 0.511 549 I N -0.923 119.677 120.570 0.050 0.000 4.079 549 I HA 0.112 4.282 4.170 -0.001 0.000 0.276 549 I C -1.291 174.864 176.117 0.062 0.000 1.146 549 I CA 0.063 61.395 61.300 0.053 0.000 1.324 549 I CB 1.256 39.288 38.000 0.052 0.000 1.638 549 I HN -0.197 nan 8.210 nan 0.000 0.436 550 L N 1.501 122.767 121.223 0.071 0.000 2.737 550 L HA 0.483 4.822 4.340 -0.001 0.000 0.261 550 L C -2.560 174.361 176.870 0.086 0.000 0.949 550 L CA -0.943 53.947 54.840 0.084 0.000 0.952 550 L CB 1.618 43.734 42.059 0.095 0.000 1.337 550 L HN -0.176 nan 8.230 nan 0.000 0.430 551 P HA 0.092 nan 4.420 nan 0.000 0.222 551 P C -0.503 176.848 177.300 0.085 0.000 1.153 551 P CA 0.853 64.000 63.100 0.078 0.000 0.798 551 P CB 0.344 32.084 31.700 0.066 0.000 0.796 552 S N -2.782 112.978 115.700 0.101 0.000 2.625 552 S HA 0.740 5.210 4.470 -0.001 0.000 0.271 552 S C -1.327 173.366 174.600 0.155 0.000 1.161 552 S CA -0.782 57.480 58.200 0.102 0.000 0.820 552 S CB 2.253 65.497 63.200 0.073 0.000 1.137 552 S HN -0.194 nan 8.310 nan 0.000 0.470 553 K N 0.564 121.054 120.400 0.150 0.000 2.513 553 K HA 0.576 4.895 4.320 -0.001 0.000 0.251 553 K C -1.973 174.773 176.600 0.244 0.000 0.939 553 K CA -0.247 56.180 56.287 0.234 0.000 0.793 553 K CB 0.913 33.517 32.500 0.174 0.000 1.241 553 K HN 0.842 nan 8.250 nan 0.000 0.431 554 H N 0.874 120.095 119.070 0.253 0.000 2.610 554 H HA 0.451 5.006 4.556 -0.001 0.000 0.336 554 H C -0.204 175.357 175.328 0.390 0.000 1.087 554 H CA -0.164 56.081 56.048 0.328 0.000 1.405 554 H CB 1.051 31.102 29.762 0.481 0.000 1.460 554 H HN 0.392 nan 8.280 nan 0.000 0.538 555 V N 0.876 121.052 119.914 0.436 0.000 2.914 555 V HA 0.781 4.900 4.120 -0.001 0.000 0.314 555 V C -0.726 175.709 176.094 0.569 0.000 1.084 555 V CA -0.876 61.677 62.300 0.422 0.000 0.963 555 V CB 2.068 33.883 31.823 -0.013 0.000 1.025 555 V HN 0.468 nan 8.190 nan 0.000 0.432 556 V N 3.991 124.264 119.914 0.599 0.000 2.638 556 V HA 0.640 4.760 4.120 -0.001 0.000 0.306 556 V C -0.468 175.989 176.094 0.604 0.000 1.052 556 V CA -0.378 62.241 62.300 0.533 0.000 0.885 556 V CB 1.834 33.823 31.823 0.277 0.000 0.999 556 V HN 0.941 nan 8.190 nan 0.000 0.424 557 M N 3.981 123.905 119.600 0.540 0.000 2.364 557 M HA 0.495 4.974 4.480 -0.001 0.000 0.334 557 M C -0.504 176.077 176.300 0.468 0.000 1.107 557 M CA -0.289 55.303 55.300 0.488 0.000 0.988 557 M CB 1.224 34.049 32.600 0.375 0.000 1.673 557 M HN 0.760 nan 8.290 nan 0.000 0.441 558 H N 1.892 121.192 119.070 0.382 0.000 2.492 558 H HA 0.483 5.039 4.556 -0.001 0.000 0.345 558 H C -1.298 174.167 175.328 0.228 0.000 1.136 558 H CA -0.571 55.668 56.048 0.317 0.000 1.202 558 H CB 1.186 31.208 29.762 0.434 0.000 1.524 558 H HN 0.647 nan 8.280 nan 0.000 0.506 559 N N 3.098 121.567 118.700 -0.385 0.000 2.569 559 N HA 0.035 4.775 4.740 -0.001 0.000 0.254 559 N C 0.317 175.497 175.510 -0.550 0.000 1.004 559 N CA -0.301 52.533 53.050 -0.361 0.000 0.904 559 N CB 1.493 39.875 38.487 -0.176 0.000 1.165 559 N HN 0.634 nan 8.380 nan 0.000 0.513 560 T N 2.785 117.057 114.554 -0.469 0.000 3.072 560 T HA 0.149 4.499 4.350 -0.001 0.000 0.266 560 T C 0.674 175.335 174.700 -0.064 0.000 1.127 560 T CA 0.515 62.506 62.100 -0.181 0.000 1.107 560 T CB -0.257 68.647 68.868 0.059 0.000 0.910 560 T HN 0.416 nan 8.240 nan 0.000 0.513 561 L N 2.822 123.954 121.223 -0.152 0.000 2.371 561 L HA 0.310 4.650 4.340 -0.001 0.000 0.272 561 L C -1.608 175.116 176.870 -0.244 0.000 1.124 561 L CA -1.937 52.777 54.840 -0.210 0.000 0.816 561 L CB 0.705 42.504 42.059 -0.435 0.000 1.129 561 L HN -0.049 nan 8.230 nan 0.000 0.448 562 P HA 0.048 nan 4.420 nan 0.000 0.235 562 P C -0.960 176.361 177.300 0.034 0.000 1.725 562 P CA 0.329 63.419 63.100 -0.015 0.000 0.894 562 P CB -0.370 31.379 31.700 0.082 0.000 1.704 563 H N -3.180 115.912 119.070 0.035 0.000 3.016 563 H HA 0.243 4.798 4.556 -0.001 0.000 0.362 563 H C -1.007 174.349 175.328 0.048 0.000 1.233 563 H CA -1.072 55.018 56.048 0.070 0.000 1.124 563 H CB -0.020 29.815 29.762 0.122 0.000 1.850 563 H HN -0.127 nan 8.280 nan 0.000 0.549 564 W N 1.621 123.037 121.300 0.194 0.000 2.231 564 W HA 0.224 4.884 4.660 -0.001 0.000 0.341 564 W C 0.879 177.509 176.519 0.186 0.000 1.298 564 W CA 0.442 57.866 57.345 0.131 0.000 1.266 564 W CB 0.435 29.957 29.460 0.103 0.000 1.172 564 W HN 0.528 nan 8.180 nan 0.000 0.568 565 R N 2.235 122.945 120.500 0.350 0.000 2.604 565 R HA 0.294 4.634 4.340 -0.001 0.000 0.281 565 R C -1.084 175.353 176.300 0.228 0.000 1.020 565 R CA -0.648 55.609 56.100 0.261 0.000 0.899 565 R CB 1.351 31.727 30.300 0.128 0.000 1.205 565 R HN 0.496 nan 8.270 nan 0.000 0.450 566 E N 2.495 122.806 120.200 0.185 0.000 2.191 566 E HA 0.253 4.603 4.350 -0.001 0.000 0.274 566 E C -1.221 175.426 176.600 0.080 0.000 0.948 566 E CA -0.765 55.718 56.400 0.138 0.000 0.802 566 E CB 2.285 32.059 29.700 0.122 0.000 1.137 566 E HN 0.392 nan 8.360 nan 0.000 0.397 567 Q N 3.116 122.940 119.800 0.040 0.000 2.352 567 Q HA 0.235 4.575 4.340 -0.001 0.000 0.270 567 Q C -1.498 174.460 176.000 -0.070 0.000 1.006 567 Q CA -0.558 55.238 55.803 -0.011 0.000 0.880 567 Q CB 1.395 30.118 28.738 -0.025 0.000 1.392 567 Q HN 0.560 nan 8.270 nan 0.000 0.401 568 L N 3.267 124.445 121.223 -0.075 0.000 2.456 568 L HA 0.343 4.683 4.340 -0.001 0.000 0.272 568 L C 0.239 176.976 176.870 -0.222 0.000 1.189 568 L CA -0.306 54.450 54.840 -0.139 0.000 0.846 568 L CB 0.561 42.573 42.059 -0.077 0.000 1.111 568 L HN 0.471 nan 8.230 nan 0.000 0.475 569 V N -0.701 118.979 119.914 -0.389 0.000 2.823 569 V HA 0.698 4.817 4.120 -0.001 0.000 0.312 569 V C -0.949 174.882 176.094 -0.439 0.000 1.072 569 V CA -0.865 61.164 62.300 -0.453 0.000 0.937 569 V CB 2.110 33.621 31.823 -0.520 0.000 1.013 569 V HN 0.786 nan 8.190 nan 0.000 0.430 570 D N 1.850 121.991 120.400 -0.433 0.000 2.527 570 D HA 0.663 5.303 4.640 -0.001 0.000 0.233 570 D C -1.282 174.723 176.300 -0.491 0.000 1.063 570 D CA -0.470 53.386 54.000 -0.240 0.000 0.880 570 D CB 2.360 43.118 40.800 -0.069 0.000 1.457 570 D HN 0.441 nan 8.370 nan 0.000 0.475 571 F N -0.283 119.749 119.950 0.136 0.000 2.599 571 F HA 0.340 4.866 4.527 -0.001 0.000 0.311 571 F C -0.548 175.441 175.800 0.314 0.000 1.076 571 F CA -1.067 57.031 58.000 0.163 0.000 0.937 571 F CB 1.550 40.678 39.000 0.213 0.000 1.282 571 F HN 0.139 nan 8.300 nan 0.000 0.460 572 Y N 2.201 122.661 120.300 0.266 0.000 2.316 572 Y HA 0.567 5.117 4.550 -0.001 0.000 0.331 572 Y C 0.185 176.208 175.900 0.204 0.000 1.083 572 Y CA -1.461 56.746 58.100 0.178 0.000 1.206 572 Y CB 1.026 39.544 38.460 0.096 0.000 1.195 572 Y HN 0.360 nan 8.280 nan 0.000 0.497 573 V N -0.311 119.796 119.914 0.322 0.000 2.962 573 V HA 0.559 4.679 4.120 -0.001 0.000 0.313 573 V C 0.315 176.539 176.094 0.218 0.000 1.099 573 V CA -0.777 61.677 62.300 0.257 0.000 0.971 573 V CB 1.719 33.694 31.823 0.253 0.000 1.028 573 V HN 0.658 nan 8.190 nan 0.000 0.430 574 S N 0.330 116.140 115.700 0.183 0.000 2.593 574 S HA 0.261 4.731 4.470 -0.001 0.000 0.217 574 S C 0.665 175.399 174.600 0.225 0.000 0.966 574 S CA 0.471 58.766 58.200 0.158 0.000 0.914 574 S CB -0.260 63.006 63.200 0.110 0.000 0.776 574 S HN 1.446 nan 8.310 nan 0.000 0.523 575 S N 1.321 117.162 115.700 0.236 0.000 2.546 575 S HA 0.576 5.045 4.470 -0.001 0.000 0.274 575 S C -2.578 171.965 174.600 -0.096 0.000 1.121 575 S CA -1.442 56.807 58.200 0.082 0.000 0.887 575 S CB 1.962 65.204 63.200 0.070 0.000 1.094 575 S HN 0.017 nan 8.310 nan 0.000 0.474 576 P HA 0.176 nan 4.420 nan 0.000 0.236 576 P C -0.221 176.966 177.300 -0.188 0.000 1.177 576 P CA 0.334 63.079 63.100 -0.591 0.000 0.773 576 P CB -0.151 30.868 31.700 -1.134 0.000 0.878 577 F N 0.823 120.788 119.950 0.026 0.000 2.509 577 F HA 0.262 4.788 4.527 -0.001 0.000 0.344 577 F C 0.482 176.327 175.800 0.075 0.000 1.197 577 F CA -1.192 56.851 58.000 0.072 0.000 1.294 577 F CB -0.020 38.989 39.000 0.015 0.000 1.643 577 F HN -0.331 nan 8.300 nan 0.000 0.596 578 V N 1.047 121.100 119.914 0.231 0.000 2.656 578 V HA 0.667 4.787 4.120 -0.001 0.000 0.307 578 V C -0.252 175.908 176.094 0.109 0.000 1.051 578 V CA -0.835 61.555 62.300 0.150 0.000 0.893 578 V CB 2.278 34.182 31.823 0.135 0.000 0.999 578 V HN 0.506 nan 8.190 nan 0.000 0.426 579 S N 3.061 118.805 115.700 0.073 0.000 2.600 579 S HA 0.888 5.358 4.470 -0.001 0.000 0.300 579 S C -0.970 173.611 174.600 -0.032 0.000 1.087 579 S CA -0.796 57.427 58.200 0.039 0.000 0.965 579 S CB 2.072 65.311 63.200 0.064 0.000 1.089 579 S HN 0.437 nan 8.310 nan 0.000 0.496 580 V N 1.940 121.799 119.914 -0.090 0.000 2.555 580 V HA 0.794 4.913 4.120 -0.001 0.000 0.302 580 V C 0.097 176.104 176.094 -0.145 0.000 1.038 580 V CA -0.462 61.706 62.300 -0.220 0.000 0.887 580 V CB 1.575 33.080 31.823 -0.530 0.000 0.991 580 V HN 1.199 nan 8.190 nan 0.000 0.434 581 T N -0.431 114.056 114.554 -0.112 0.000 2.906 581 T HA 0.656 5.005 4.350 -0.001 0.000 0.295 581 T C -0.765 173.911 174.700 -0.040 0.000 1.075 581 T CA -0.892 61.162 62.100 -0.076 0.000 1.005 581 T CB 2.092 70.906 68.868 -0.091 0.000 1.136 581 T HN 0.717 nan 8.240 nan 0.000 0.498 582 D N 0.523 120.869 120.400 -0.090 0.000 2.478 582 D HA 0.179 4.819 4.640 -0.001 0.000 0.269 582 D C 0.583 176.741 176.300 -0.237 0.000 1.232 582 D CA -1.278 52.547 54.000 -0.293 0.000 1.059 582 D CB 0.423 41.056 40.800 -0.280 0.000 1.104 582 D HN 0.524 nan 8.370 nan 0.000 0.566 583 L N -0.994 120.072 121.223 -0.262 0.000 2.688 583 L HA 0.387 4.726 4.340 -0.001 0.000 0.234 583 L C 0.864 177.657 176.870 -0.128 0.000 1.192 583 L CA 0.060 54.795 54.840 -0.174 0.000 0.984 583 L CB -0.444 41.524 42.059 -0.153 0.000 1.232 583 L HN 0.563 nan 8.230 nan 0.000 0.465 584 A N -0.550 122.200 122.820 -0.118 0.000 2.535 584 A HA 0.188 4.507 4.320 -0.001 0.000 0.273 584 A C 0.995 178.532 177.584 -0.080 0.000 1.267 584 A CA 0.100 52.085 52.037 -0.086 0.000 0.940 584 A CB -0.231 18.726 19.000 -0.072 0.000 1.101 584 A HN 0.556 nan 8.150 nan 0.000 0.521 585 N N 0.260 118.904 118.700 -0.093 0.000 2.782 585 N HA -0.143 4.596 4.740 -0.001 0.000 0.251 585 N C -0.971 174.491 175.510 -0.079 0.000 1.101 585 N CA 0.866 53.867 53.050 -0.081 0.000 0.764 585 N CB -1.735 36.715 38.487 -0.062 0.000 1.122 585 N HN 0.556 nan 8.380 nan 0.000 0.561 586 N N 1.070 119.719 118.700 -0.085 0.000 2.497 586 N HA 0.244 4.983 4.740 -0.001 0.000 0.271 586 N C -2.492 172.948 175.510 -0.116 0.000 1.142 586 N CA -0.824 52.173 53.050 -0.089 0.000 0.965 586 N CB 0.603 39.049 38.487 -0.069 0.000 1.077 586 N HN 0.235 nan 8.380 nan 0.000 0.462 587 P HA 0.053 nan 4.420 nan 0.000 0.268 587 P C -0.469 176.705 177.300 -0.210 0.000 1.205 587 P CA -0.055 62.867 63.100 -0.297 0.000 0.771 587 P CB 0.699 31.933 31.700 -0.777 0.000 0.858 588 V N 2.636 122.475 119.914 -0.126 0.000 2.487 588 V HA 0.211 4.331 4.120 -0.001 0.000 0.298 588 V C 0.414 176.514 176.094 0.010 0.000 1.028 588 V CA -0.794 61.495 62.300 -0.020 0.000 0.860 588 V CB 1.388 33.226 31.823 0.024 0.000 0.991 588 V HN 0.537 nan 8.190 nan 0.000 0.427 589 E N 2.818 123.062 120.200 0.072 0.000 2.414 589 E HA 0.452 4.801 4.350 -0.001 0.000 0.263 589 E C -0.199 176.477 176.600 0.127 0.000 1.000 589 E CA 0.119 56.589 56.400 0.116 0.000 0.914 589 E CB 0.875 30.646 29.700 0.118 0.000 0.948 589 E HN 0.883 nan 8.360 nan 0.000 0.444 590 A N 4.215 127.096 122.820 0.103 0.000 2.527 590 A HA 0.424 4.744 4.320 -0.001 0.000 0.293 590 A C -1.316 176.289 177.584 0.036 0.000 1.117 590 A CA -0.699 51.409 52.037 0.118 0.000 0.723 590 A CB 1.965 21.029 19.000 0.107 0.000 1.313 590 A HN 0.651 nan 8.150 nan 0.000 0.411 591 Q N 0.824 120.653 119.800 0.049 0.000 2.356 591 Q HA 0.651 4.990 4.340 -0.001 0.000 0.270 591 Q C -2.015 173.983 176.000 -0.004 0.000 1.058 591 Q CA -0.546 55.242 55.803 -0.024 0.000 0.802 591 Q CB 2.175 30.936 28.738 0.038 0.000 1.303 591 Q HN 0.578 nan 8.270 nan 0.000 0.444 592 V N 2.614 122.456 119.914 -0.120 0.000 2.483 592 V HA 0.576 4.695 4.120 -0.001 0.000 0.295 592 V C -0.530 175.736 176.094 0.285 0.000 1.035 592 V CA -0.315 62.024 62.300 0.064 0.000 0.896 592 V CB 1.856 33.686 31.823 0.012 0.000 0.986 592 V HN 0.848 nan 8.190 nan 0.000 0.447 593 S N 5.079 120.979 115.700 0.334 0.000 2.599 593 S HA 0.686 5.155 4.470 -0.001 0.000 0.294 593 S C -2.761 171.917 174.600 0.130 0.000 1.094 593 S CA -1.167 57.219 58.200 0.310 0.000 0.931 593 S CB 2.416 65.745 63.200 0.215 0.000 1.093 593 S HN 0.534 nan 8.310 nan 0.000 0.488 594 P HA 0.238 nan 4.420 nan 0.000 0.273 594 P C -1.138 175.838 177.300 -0.539 0.000 1.250 594 P CA -0.491 62.239 63.100 -0.617 0.000 0.793 594 P CB 0.380 31.303 31.700 -1.296 0.000 1.011 595 V N 1.784 121.304 119.914 -0.658 0.000 2.334 595 V HA 0.186 4.306 4.120 -0.001 0.000 0.267 595 V C -0.572 175.205 176.094 -0.529 0.000 1.040 595 V CA -0.176 61.809 62.300 -0.524 0.000 0.866 595 V CB -0.509 30.905 31.823 -0.680 0.000 1.019 595 V HN 0.512 nan 8.190 nan 0.000 0.468 596 W N 3.622 124.831 121.300 -0.152 0.000 2.433 596 W HA 0.635 5.294 4.660 -0.001 0.000 0.315 596 W C 0.447 176.886 176.519 -0.133 0.000 1.087 596 W CA -0.374 56.867 57.345 -0.173 0.000 1.205 596 W CB 1.784 31.151 29.460 -0.155 0.000 1.288 596 W HN 0.569 nan 8.180 nan 0.000 0.504 597 S N 1.286 117.006 115.700 0.034 0.000 2.542 597 S HA 0.614 5.084 4.470 -0.001 0.000 0.293 597 S C -1.453 172.964 174.600 -0.306 0.000 1.089 597 S CA -1.013 57.149 58.200 -0.063 0.000 0.961 597 S CB 1.289 64.402 63.200 -0.145 0.000 1.062 597 S HN 0.417 nan 8.310 nan 0.000 0.483 598 W N 1.282 122.386 121.300 -0.326 0.000 2.496 598 W HA 0.574 5.234 4.660 -0.001 0.000 0.327 598 W C 0.256 176.453 176.519 -0.537 0.000 1.086 598 W CA -0.087 57.072 57.345 -0.310 0.000 1.222 598 W CB 0.958 30.322 29.460 -0.161 0.000 1.304 598 W HN 0.624 nan 8.180 nan 0.000 0.547 599 H N 1.417 120.521 119.070 0.055 0.000 2.679 599 H HA 0.116 4.672 4.556 -0.001 0.000 0.360 599 H C -0.982 174.359 175.328 0.023 0.000 1.105 599 H CA -0.995 55.032 56.048 -0.034 0.000 1.196 599 H CB 1.695 31.343 29.762 -0.190 0.000 1.636 599 H HN 0.353 nan 8.280 nan 0.000 0.531 600 H N 2.282 121.422 119.070 0.116 0.000 2.782 600 H HA 0.076 4.632 4.556 -0.001 0.000 0.285 600 H C -0.573 174.794 175.328 0.066 0.000 1.093 600 H CA -0.327 55.770 56.048 0.081 0.000 1.410 600 H CB 0.221 30.023 29.762 0.066 0.000 1.439 600 H HN 0.411 nan 8.280 nan 0.000 0.469 601 D N 3.794 124.209 120.400 0.025 0.000 2.422 601 D HA -0.018 4.622 4.640 -0.001 0.000 0.227 601 D C 0.999 177.161 176.300 -0.230 0.000 1.190 601 D CA 0.050 54.029 54.000 -0.035 0.000 0.905 601 D CB 0.488 41.434 40.800 0.244 0.000 1.034 601 D HN 0.764 nan 8.370 nan 0.000 0.507 602 T N 0.997 115.327 114.554 -0.374 0.000 3.098 602 T HA -0.116 4.233 4.350 -0.001 0.000 0.266 602 T C 1.684 176.306 174.700 -0.131 0.000 1.145 602 T CA 0.342 62.230 62.100 -0.353 0.000 1.092 602 T CB 0.083 68.795 68.868 -0.259 0.000 0.908 602 T HN 0.197 nan 8.240 nan 0.000 0.526 603 L N 2.154 123.333 121.223 -0.073 0.000 2.121 603 L HA 0.163 4.502 4.340 -0.001 0.000 0.200 603 L C 3.036 179.909 176.870 0.004 0.000 1.077 603 L CA 2.009 56.835 54.840 -0.024 0.000 0.766 603 L CB -1.089 40.961 42.059 -0.014 0.000 0.931 603 L HN 0.517 nan 8.230 nan 0.000 0.452 604 T N -4.281 110.292 114.554 0.032 0.000 3.088 604 T HA -0.037 4.313 4.350 -0.001 0.000 0.259 604 T C 0.719 175.467 174.700 0.080 0.000 1.122 604 T CA -0.041 62.087 62.100 0.047 0.000 1.095 604 T CB -0.063 68.832 68.868 0.044 0.000 0.930 604 T HN 0.149 nan 8.240 nan 0.000 0.508 605 K N 1.909 122.369 120.400 0.099 0.000 3.117 605 K HA -0.121 4.198 4.320 -0.001 0.000 0.269 605 K C 0.111 176.852 176.600 0.235 0.000 1.098 605 K CA 1.262 57.661 56.287 0.186 0.000 0.785 605 K CB -2.864 29.716 32.500 0.133 0.000 1.242 605 K HN 0.880 nan 8.250 nan 0.000 0.491 606 T N -2.663 112.058 114.554 0.279 0.000 2.916 606 T HA 0.791 5.141 4.350 -0.001 0.000 0.292 606 T C 0.373 175.317 174.700 0.408 0.000 1.055 606 T CA -1.051 61.227 62.100 0.297 0.000 1.009 606 T CB 2.215 71.234 68.868 0.251 0.000 1.118 606 T HN 0.146 nan 8.240 nan 0.000 0.497 607 I N 3.504 124.273 120.570 0.332 0.000 2.307 607 I HA 0.483 4.653 4.170 -0.001 0.000 0.289 607 I C -0.144 176.264 176.117 0.484 0.000 1.021 607 I CA -0.618 60.887 61.300 0.342 0.000 1.224 607 I CB 0.269 38.396 38.000 0.212 0.000 1.376 607 I HN 0.913 nan 8.210 nan 0.000 0.470 608 H N 6.149 125.401 119.070 0.303 0.000 3.016 608 H HA 0.669 5.225 4.556 -0.001 0.000 0.362 608 H C -3.188 171.930 175.328 -0.351 0.000 1.233 608 H CA -2.372 53.684 56.048 0.013 0.000 1.124 608 H CB 1.844 31.614 29.762 0.012 0.000 1.850 608 H HN 0.146 nan 8.280 nan 0.000 0.549 609 P HA 0.239 nan 4.420 nan 0.000 0.290 609 P C -1.004 176.224 177.300 -0.120 0.000 1.275 609 P CA -0.651 61.909 63.100 -0.900 0.000 0.841 609 P CB 1.854 32.697 31.700 -1.427 0.000 1.042 610 Q N 0.551 120.365 119.800 0.024 0.000 2.365 610 Q HA 0.591 4.930 4.340 -0.001 0.000 0.269 610 Q C 0.012 176.075 176.000 0.105 0.000 1.061 610 Q CA -0.550 55.358 55.803 0.175 0.000 0.816 610 Q CB 2.753 31.586 28.738 0.158 0.000 1.325 610 Q HN 0.610 nan 8.270 nan 0.000 0.446 611 G N 0.542 109.278 108.800 -0.107 0.000 2.356 611 G HA2 0.345 4.304 3.960 -0.001 0.000 0.322 611 G HA3 0.345 4.304 3.960 -0.001 0.000 0.322 611 G C -0.269 174.373 174.900 -0.430 0.000 1.125 611 G CA -0.300 44.402 45.100 -0.663 0.000 0.885 611 G HN 0.425 nan 8.290 nan 0.000 0.467 612 S N -0.030 115.367 115.700 -0.506 0.000 2.572 612 S HA 0.264 4.733 4.470 -0.001 0.000 0.279 612 S C 1.606 175.948 174.600 -0.430 0.000 1.341 612 S CA 0.401 58.348 58.200 -0.422 0.000 1.043 612 S CB 0.678 63.574 63.200 -0.507 0.000 0.887 612 S HN 0.938 nan 8.310 nan 0.000 0.516 613 T N -0.153 114.225 114.554 -0.292 0.000 3.054 613 T HA 0.154 4.504 4.350 -0.001 0.000 0.255 613 T C 1.110 175.687 174.700 -0.204 0.000 1.035 613 T CA 0.431 62.412 62.100 -0.198 0.000 0.941 613 T CB -0.182 68.635 68.868 -0.085 0.000 1.026 613 T HN 0.687 nan 8.240 nan 0.000 0.533 614 T N -1.118 113.247 114.554 -0.315 0.000 2.975 614 T HA 0.337 4.687 4.350 -0.001 0.000 0.261 614 T C 0.254 174.757 174.700 -0.329 0.000 0.984 614 T CA -0.477 61.492 62.100 -0.218 0.000 0.911 614 T CB 0.060 68.848 68.868 -0.134 0.000 1.127 614 T HN 0.664 nan 8.240 nan 0.000 0.514 615 K N -0.223 119.783 120.400 -0.656 0.000 2.532 615 K HA 0.645 4.964 4.320 -0.001 0.000 0.265 615 K C -2.106 173.846 176.600 -1.081 0.000 0.948 615 K CA -1.034 54.887 56.287 -0.612 0.000 0.842 615 K CB 1.596 33.883 32.500 -0.355 0.000 1.392 615 K HN 0.100 nan 8.250 nan 0.000 0.436 616 Y N -0.227 119.978 120.300 -0.158 0.000 2.609 616 Y HA 0.501 5.051 4.550 -0.001 0.000 0.342 616 Y C -0.373 175.506 175.900 -0.036 0.000 1.058 616 Y CA -1.142 56.889 58.100 -0.114 0.000 1.055 616 Y CB 2.330 40.802 38.460 0.021 0.000 1.292 616 Y HN 0.351 nan 8.280 nan 0.000 0.476 617 R N 1.583 122.198 120.500 0.191 0.000 2.338 617 R HA 0.596 4.936 4.340 -0.001 0.000 0.317 617 R C -1.379 175.086 176.300 0.276 0.000 0.968 617 R CA -0.733 55.524 56.100 0.261 0.000 0.849 617 R CB 1.889 32.322 30.300 0.221 0.000 1.128 617 R HN 0.672 nan 8.270 nan 0.000 0.448 618 I N 4.337 125.097 120.570 0.316 0.000 2.441 618 I HA 0.439 4.608 4.170 -0.001 0.000 0.295 618 I C -1.086 175.225 176.117 0.324 0.000 0.994 618 I CA -0.805 60.674 61.300 0.298 0.000 1.144 618 I CB 1.144 39.331 38.000 0.312 0.000 1.314 618 I HN 0.533 nan 8.210 nan 0.000 0.445 619 I N 7.997 128.725 120.570 0.263 0.000 2.509 619 I HA 0.538 4.707 4.170 -0.001 0.000 0.293 619 I C -0.947 175.330 176.117 0.268 0.000 1.020 619 I CA -0.512 60.895 61.300 0.179 0.000 1.088 619 I CB 1.710 39.769 38.000 0.099 0.000 1.267 619 I HN 0.506 nan 8.210 nan 0.000 0.430 620 F N 2.360 122.340 119.950 0.050 0.000 2.713 620 F HA 0.568 5.095 4.527 -0.001 0.000 0.311 620 F C -1.041 174.747 175.800 -0.020 0.000 1.141 620 F CA -1.314 56.693 58.000 0.012 0.000 0.939 620 F CB 1.321 40.318 39.000 -0.004 0.000 1.325 620 F HN 0.235 nan 8.300 nan 0.000 0.453 621 K N 1.968 122.458 120.400 0.150 0.000 2.285 621 K HA 0.722 5.041 4.320 -0.001 0.000 0.286 621 K C -0.640 176.005 176.600 0.075 0.000 1.072 621 K CA -0.344 55.970 56.287 0.045 0.000 0.913 621 K CB 0.810 33.371 32.500 0.102 0.000 1.067 621 K HN 0.933 nan 8.250 nan 0.000 0.479 622 A N 4.728 127.496 122.820 -0.087 0.000 2.309 622 A HA 0.373 4.692 4.320 -0.001 0.000 0.298 622 A C -0.581 177.134 177.584 0.218 0.000 1.165 622 A CA -0.651 51.397 52.037 0.018 0.000 0.821 622 A CB 0.623 19.592 19.000 -0.052 0.000 1.102 622 A HN 0.884 nan 8.150 nan 0.000 0.500 623 R N 2.167 122.912 120.500 0.409 0.000 2.360 623 R HA 0.601 4.941 4.340 -0.001 0.000 0.318 623 R C -1.872 174.693 176.300 0.442 0.000 0.950 623 R CA -0.234 56.097 56.100 0.385 0.000 0.837 623 R CB 1.290 31.800 30.300 0.350 0.000 1.165 623 R HN 0.502 nan 8.270 nan 0.000 0.458 624 V N 6.200 126.328 119.914 0.357 0.000 2.656 624 V HA 0.455 4.575 4.120 -0.001 0.000 0.307 624 V C -2.256 173.746 176.094 -0.153 0.000 1.051 624 V CA -2.327 60.078 62.300 0.175 0.000 0.893 624 V CB 1.943 33.843 31.823 0.129 0.000 0.999 624 V HN 0.782 nan 8.190 nan 0.000 0.426 625 P HA 0.207 nan 4.420 nan 0.000 0.271 625 P C -2.746 174.077 177.300 -0.795 0.000 1.233 625 P CA -1.330 60.893 63.100 -1.462 0.000 0.789 625 P CB -0.284 30.752 31.700 -1.107 0.000 0.951 626 P HA 0.085 nan 4.420 nan 0.000 0.264 626 P C 0.143 177.399 177.300 -0.073 0.000 1.193 626 P CA 0.606 63.510 63.100 -0.326 0.000 0.763 626 P CB -0.235 31.342 31.700 -0.205 0.000 0.810 627 M N 0.275 119.872 119.600 -0.005 0.000 2.333 627 M HA -0.215 4.265 4.480 -0.001 0.000 0.199 627 M C 0.577 177.075 176.300 0.330 0.000 0.376 627 M CA 1.004 56.444 55.300 0.235 0.000 0.440 627 M CB -2.035 30.794 32.600 0.381 0.000 1.506 627 M HN 0.588 nan 8.290 nan 0.000 0.889 628 G N -0.196 108.650 108.800 0.077 0.000 3.105 628 G HA2 0.935 4.895 3.960 -0.001 0.000 0.277 628 G HA3 0.935 4.895 3.960 -0.001 0.000 0.277 628 G C -1.324 173.709 174.900 0.221 0.000 1.375 628 G CA -0.966 44.151 45.100 0.028 0.000 0.962 628 G HN 0.177 nan 8.290 nan 0.000 0.541 629 L N -0.487 120.849 121.223 0.189 0.000 2.388 629 L HA 0.797 5.137 4.340 -0.001 0.000 0.264 629 L C -0.263 176.712 176.870 0.175 0.000 0.998 629 L CA -1.026 53.960 54.840 0.243 0.000 0.817 629 L CB 2.470 44.679 42.059 0.250 0.000 1.338 629 L HN 0.761 nan 8.230 nan 0.000 0.414 630 A N 0.855 123.824 122.820 0.248 0.000 2.427 630 A HA 0.806 5.125 4.320 -0.001 0.000 0.298 630 A C -0.786 176.976 177.584 0.296 0.000 1.036 630 A CA -0.448 51.724 52.037 0.224 0.000 0.701 630 A CB 1.751 20.928 19.000 0.296 0.000 1.250 630 A HN 0.556 nan 8.150 nan 0.000 0.412 631 T N 2.133 116.761 114.554 0.124 0.000 2.829 631 T HA 0.651 5.001 4.350 -0.001 0.000 0.282 631 T C -1.070 173.600 174.700 -0.049 0.000 0.990 631 T CA 0.237 62.458 62.100 0.201 0.000 1.028 631 T CB 0.356 69.333 68.868 0.181 0.000 0.951 631 T HN 0.436 nan 8.240 nan 0.000 0.460 632 Y N 0.351 120.756 120.300 0.175 0.000 2.605 632 Y HA 0.666 5.216 4.550 -0.001 0.000 0.343 632 Y C -0.332 175.512 175.900 -0.093 0.000 1.036 632 Y CA -1.164 56.952 58.100 0.027 0.000 1.065 632 Y CB 1.696 40.185 38.460 0.048 0.000 1.288 632 Y HN 0.307 nan 8.280 nan 0.000 0.481 633 V N 3.160 123.046 119.914 -0.047 0.000 2.588 633 V HA 0.428 4.547 4.120 -0.001 0.000 0.304 633 V C -0.749 175.278 176.094 -0.111 0.000 1.042 633 V CA -0.961 61.238 62.300 -0.167 0.000 0.877 633 V CB 1.740 33.390 31.823 -0.288 0.000 0.996 633 V HN 0.495 nan 8.190 nan 0.000 0.425 634 L N 4.003 125.185 121.223 -0.069 0.000 2.282 634 L HA 0.659 4.999 4.340 -0.001 0.000 0.288 634 L C -0.061 176.814 176.870 0.008 0.000 1.033 634 L CA -0.078 54.739 54.840 -0.038 0.000 0.807 634 L CB 1.684 43.736 42.059 -0.011 0.000 1.209 634 L HN 0.609 nan 8.230 nan 0.000 0.423 635 T N 3.780 118.344 114.554 0.017 0.000 2.861 635 T HA 0.464 4.813 4.350 -0.001 0.000 0.287 635 T C -0.230 174.512 174.700 0.070 0.000 1.003 635 T CA -0.382 61.742 62.100 0.041 0.000 0.977 635 T CB 2.381 71.263 68.868 0.022 0.000 0.996 635 T HN 0.383 nan 8.240 nan 0.000 0.448 636 I N 2.976 123.598 120.570 0.086 0.000 2.764 636 I HA 0.585 4.754 4.170 -0.001 0.000 0.294 636 I C 0.275 176.451 176.117 0.100 0.000 1.045 636 I CA 0.204 61.572 61.300 0.113 0.000 1.340 636 I CB 0.791 38.862 38.000 0.118 0.000 1.436 636 I HN 0.836 nan 8.210 nan 0.000 0.567 637 S N 2.612 118.388 115.700 0.127 0.000 2.685 637 S HA 0.368 4.838 4.470 -0.001 0.000 0.282 637 S C -0.282 174.350 174.600 0.053 0.000 1.159 637 S CA -0.384 57.857 58.200 0.069 0.000 0.833 637 S CB 1.493 64.717 63.200 0.040 0.000 1.151 637 S HN 0.689 nan 8.310 nan 0.000 0.485 638 D N 0.065 120.440 120.400 -0.041 0.000 2.350 638 D HA 0.221 4.861 4.640 -0.001 0.000 0.213 638 D C 0.861 176.936 176.300 -0.375 0.000 1.031 638 D CA 0.617 54.564 54.000 -0.089 0.000 0.861 638 D CB -0.082 40.678 40.800 -0.066 0.000 0.926 638 D HN 0.681 nan 8.370 nan 0.000 0.520 639 S N -1.641 113.748 115.700 -0.519 0.000 2.790 639 S HA 0.420 4.889 4.470 -0.001 0.000 0.292 639 S C -0.894 173.246 174.600 -0.767 0.000 1.197 639 S CA -1.233 56.368 58.200 -0.999 0.000 0.851 639 S CB 1.113 63.995 63.200 -0.530 0.000 1.217 639 S HN -0.097 nan 8.310 nan 0.000 0.526 640 K N 2.103 122.163 120.400 -0.566 0.000 2.436 640 K HA 0.297 4.617 4.320 -0.001 0.000 0.282 640 K C -2.436 174.169 176.600 0.008 0.000 1.044 640 K CA -0.843 55.423 56.287 -0.036 0.000 1.028 640 K CB -0.296 32.239 32.500 0.059 0.000 0.919 640 K HN 0.372 nan 8.250 nan 0.000 0.474 641 P HA -0.004 nan 4.420 nan 0.000 0.274 641 P C 0.377 177.696 177.300 0.031 0.000 1.231 641 P CA -0.338 62.802 63.100 0.067 0.000 0.790 641 P CB 0.857 32.623 31.700 0.110 0.000 0.951 642 E N 1.099 121.282 120.200 -0.028 0.000 2.097 642 E HA -0.251 4.099 4.350 -0.001 0.000 0.196 642 E C 0.561 176.975 176.600 -0.310 0.000 1.000 642 E CA 1.266 57.548 56.400 -0.195 0.000 0.804 642 E CB -0.037 29.471 29.700 -0.320 0.000 0.740 642 E HN 0.497 nan 8.360 nan 0.000 0.454 643 H N -0.968 118.110 119.070 0.015 0.000 2.505 643 H HA 0.214 4.769 4.556 -0.001 0.000 0.286 643 H C -0.403 174.920 175.328 -0.009 0.000 1.072 643 H CA 0.167 56.219 56.048 0.007 0.000 1.141 643 H CB 0.803 30.569 29.762 0.006 0.000 1.550 643 H HN -0.048 nan 8.280 nan 0.000 0.547 644 T N 1.636 116.213 114.554 0.039 0.000 2.786 644 T HA 0.302 4.651 4.350 -0.001 0.000 0.283 644 T C 0.379 174.960 174.700 -0.199 0.000 0.992 644 T CA -0.663 61.391 62.100 -0.076 0.000 0.954 644 T CB 2.051 70.869 68.868 -0.083 0.000 0.934 644 T HN 0.268 nan 8.240 nan 0.000 0.440 645 S N 2.521 118.062 115.700 -0.265 0.000 2.718 645 S HA 0.767 5.237 4.470 -0.001 0.000 0.300 645 S C -1.308 172.920 174.600 -0.621 0.000 1.117 645 S CA -0.811 57.236 58.200 -0.255 0.000 1.002 645 S CB 0.839 64.007 63.200 -0.054 0.000 1.092 645 S HN 0.573 nan 8.310 nan 0.000 0.542 646 Y N 0.001 120.309 120.300 0.014 0.000 2.376 646 Y HA 0.647 5.197 4.550 -0.001 0.000 0.340 646 Y C 0.608 176.565 175.900 0.094 0.000 0.965 646 Y CA -0.764 57.332 58.100 -0.005 0.000 1.078 646 Y CB 1.697 40.029 38.460 -0.213 0.000 1.193 646 Y HN 1.030 nan 8.280 nan 0.000 0.452 647 A N 2.022 125.035 122.820 0.321 0.000 2.386 647 A HA 0.492 4.811 4.320 -0.001 0.000 0.248 647 A C 0.248 178.034 177.584 0.336 0.000 1.082 647 A CA -0.337 51.872 52.037 0.286 0.000 0.789 647 A CB -0.044 19.117 19.000 0.269 0.000 1.025 647 A HN 0.763 nan 8.150 nan 0.000 0.490 648 S N 1.929 117.759 115.700 0.215 0.000 2.632 648 S HA 0.545 5.014 4.470 -0.001 0.000 0.271 648 S C -0.358 174.333 174.600 0.152 0.000 1.260 648 S CA -0.886 57.423 58.200 0.182 0.000 1.010 648 S CB 0.769 64.033 63.200 0.108 0.000 0.965 648 S HN 0.686 nan 8.310 nan 0.000 0.534 649 N N 0.512 119.279 118.700 0.111 0.000 2.310 649 N HA 0.489 5.228 4.740 -0.001 0.000 0.292 649 N C -1.990 173.461 175.510 -0.098 0.000 1.049 649 N CA -0.526 52.546 53.050 0.038 0.000 0.849 649 N CB 2.043 40.634 38.487 0.173 0.000 1.532 649 N HN 0.586 nan 8.380 nan 0.000 0.479 650 L N 2.355 123.480 121.223 -0.164 0.000 2.406 650 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 650 L C -1.655 175.066 176.870 -0.247 0.000 0.980 650 L CA -0.687 54.029 54.840 -0.206 0.000 0.831 650 L CB 1.499 43.490 42.059 -0.112 0.000 1.253 650 L HN 0.440 nan 8.230 nan 0.000 0.406 651 L N 5.981 127.017 121.223 -0.311 0.000 2.265 651 L HA 0.544 4.884 4.340 -0.001 0.000 0.289 651 L C -1.174 175.684 176.870 -0.019 0.000 1.033 651 L CA -0.009 54.717 54.840 -0.191 0.000 0.814 651 L CB 0.943 42.904 42.059 -0.163 0.000 1.203 651 L HN 0.588 nan 8.230 nan 0.000 0.423 652 L N 7.093 128.313 121.223 -0.005 0.000 2.262 652 L HA 0.670 5.009 4.340 -0.001 0.000 0.288 652 L C -0.204 176.704 176.870 0.064 0.000 1.035 652 L CA -0.479 54.385 54.840 0.040 0.000 0.820 652 L CB 0.478 42.552 42.059 0.023 0.000 1.204 652 L HN 0.712 nan 8.230 nan 0.000 0.424 653 R N 1.971 122.518 120.500 0.078 0.000 2.739 653 R HA 0.450 4.790 4.340 -0.001 0.000 0.266 653 R C -1.599 174.733 176.300 0.053 0.000 1.044 653 R CA -1.123 55.017 56.100 0.067 0.000 0.885 653 R CB 1.436 31.776 30.300 0.066 0.000 1.260 653 R HN 0.217 nan 8.270 nan 0.000 0.477 654 K N 1.171 121.593 120.400 0.037 0.000 2.168 654 K HA 0.112 4.432 4.320 -0.001 0.000 0.258 654 K C -0.121 176.479 176.600 -0.001 0.000 1.010 654 K CA -0.374 55.925 56.287 0.020 0.000 0.929 654 K CB 0.273 32.784 32.500 0.019 0.000 0.998 654 K HN 0.804 nan 8.250 nan 0.000 0.479 655 N N 0.810 119.498 118.700 -0.020 0.000 2.727 655 N HA -0.108 4.632 4.740 -0.001 0.000 0.251 655 N C -2.605 172.855 175.510 -0.085 0.000 1.040 655 N CA 0.083 53.104 53.050 -0.049 0.000 0.712 655 N CB -0.730 37.734 38.487 -0.039 0.000 0.912 655 N HN 0.383 nan 8.380 nan 0.000 0.545 656 P HA 0.305 nan 4.420 nan 0.000 0.276 656 P C -0.200 176.923 177.300 -0.294 0.000 1.252 656 P CA -0.129 62.860 63.100 -0.186 0.000 0.802 656 P CB 0.968 32.532 31.700 -0.227 0.000 1.035 657 T N -3.102 111.262 114.554 -0.317 0.000 2.907 657 T HA 0.502 4.851 4.350 -0.001 0.000 0.290 657 T C 0.241 174.719 174.700 -0.370 0.000 1.066 657 T CA -0.756 61.159 62.100 -0.309 0.000 1.012 657 T CB 0.621 69.385 68.868 -0.174 0.000 1.184 657 T HN 0.486 nan 8.240 nan 0.000 0.522 658 S N 0.462 116.016 115.700 -0.244 0.000 2.576 658 S HA 0.419 4.888 4.470 -0.001 0.000 0.272 658 S C -0.188 174.502 174.600 0.150 0.000 1.352 658 S CA -0.743 57.416 58.200 -0.069 0.000 1.021 658 S CB -0.358 62.830 63.200 -0.019 0.000 0.887 658 S HN 0.692 nan 8.310 nan 0.000 0.542 659 L N 2.177 123.605 121.223 0.341 0.000 2.489 659 L HA 0.379 4.718 4.340 -0.001 0.000 0.257 659 L C -2.322 174.661 176.870 0.189 0.000 1.215 659 L CA -1.547 53.467 54.840 0.289 0.000 0.915 659 L CB 1.626 43.934 42.059 0.415 0.000 1.146 659 L HN 0.599 nan 8.230 nan 0.000 0.494 660 P HA 0.174 nan 4.420 nan 0.000 0.272 660 P C -0.188 177.119 177.300 0.012 0.000 1.223 660 P CA -0.179 62.963 63.100 0.070 0.000 0.784 660 P CB 1.751 33.480 31.700 0.048 0.000 0.923 661 L N 1.003 122.241 121.223 0.026 0.000 3.193 661 L HA 0.277 4.616 4.340 -0.001 0.000 0.305 661 L C 1.404 178.344 176.870 0.117 0.000 1.299 661 L CA -0.200 54.632 54.840 -0.013 0.000 0.904 661 L CB 0.083 42.114 42.059 -0.046 0.000 1.331 661 L HN 0.737 nan 8.230 nan 0.000 0.588 662 G N 1.389 110.235 108.800 0.076 0.000 2.651 662 G HA2 -0.410 3.549 3.960 -0.001 0.000 0.315 662 G HA3 -0.410 3.549 3.960 -0.001 0.000 0.315 662 G C 0.631 175.595 174.900 0.108 0.000 1.258 662 G CA 0.896 46.063 45.100 0.111 0.000 1.002 662 G HN 0.565 nan 8.290 nan 0.000 0.551 663 Q N -0.599 119.259 119.800 0.097 0.000 2.451 663 Q HA 0.206 4.545 4.340 -0.001 0.000 0.206 663 Q C 0.913 176.743 176.000 -0.283 0.000 0.947 663 Q CA 0.316 56.059 55.803 -0.100 0.000 0.937 663 Q CB 0.260 28.867 28.738 -0.220 0.000 1.025 663 Q HN 0.543 nan 8.270 nan 0.000 0.511 664 Y N 4.670 124.771 120.300 -0.333 0.000 2.865 664 Y HA -0.051 4.498 4.550 -0.001 0.000 0.338 664 Y C -1.384 174.356 175.900 -0.267 0.000 1.269 664 Y CA -1.488 56.385 58.100 -0.380 0.000 1.585 664 Y CB 0.798 39.203 38.460 -0.091 0.000 1.224 664 Y HN 0.056 nan 8.280 nan 0.000 0.554 665 P HA -0.042 nan 4.420 nan 0.000 0.245 665 P C -0.568 176.565 177.300 -0.278 0.000 1.212 665 P CA 0.696 63.522 63.100 -0.457 0.000 0.774 665 P CB 0.375 31.697 31.700 -0.629 0.000 0.999 666 E N 0.658 120.736 120.200 -0.204 0.000 2.176 666 E HA 0.250 4.599 4.350 -0.001 0.000 0.267 666 E C -0.824 175.885 176.600 0.183 0.000 0.893 666 E CA -0.729 55.688 56.400 0.028 0.000 0.761 666 E CB 0.681 30.428 29.700 0.078 0.000 1.133 666 E HN -0.176 nan 8.360 nan 0.000 0.409 667 D N 2.427 122.898 120.400 0.118 0.000 2.345 667 D HA 0.110 4.750 4.640 -0.001 0.000 0.247 667 D C -0.179 176.179 176.300 0.096 0.000 1.108 667 D CA -0.226 53.849 54.000 0.125 0.000 0.894 667 D CB 1.225 42.086 40.800 0.102 0.000 1.203 667 D HN 0.183 nan 8.370 nan 0.000 0.430 668 V N 3.385 123.339 119.914 0.066 0.000 2.673 668 V HA -0.019 4.100 4.120 -0.001 0.000 0.303 668 V C 0.842 176.739 176.094 -0.329 0.000 1.046 668 V CA 0.137 62.364 62.300 -0.122 0.000 1.126 668 V CB 0.316 32.045 31.823 -0.157 0.000 0.934 668 V HN 0.299 nan 8.190 nan 0.000 0.487 669 K N 3.731 123.889 120.400 -0.404 0.000 2.118 669 K HA 0.663 4.983 4.320 -0.001 0.000 0.254 669 K C -0.941 175.268 176.600 -0.652 0.000 0.961 669 K CA -0.344 55.745 56.287 -0.330 0.000 0.876 669 K CB 1.766 34.203 32.500 -0.105 0.000 1.077 669 K HN 0.424 nan 8.250 nan 0.000 0.440 670 F N -0.940 119.021 119.950 0.017 0.000 2.593 670 F HA 0.689 5.216 4.527 -0.001 0.000 0.320 670 F C 0.642 176.445 175.800 0.005 0.000 1.060 670 F CA -0.659 57.342 58.000 0.003 0.000 0.940 670 F CB 2.685 41.686 39.000 0.001 0.000 1.268 670 F HN 0.603 nan 8.300 nan 0.000 0.475 671 G N 0.293 109.202 108.800 0.182 0.000 2.601 671 G HA2 0.396 4.355 3.960 -0.001 0.000 0.291 671 G HA3 0.396 4.355 3.960 -0.001 0.000 0.291 671 G C -2.156 172.796 174.900 0.087 0.000 1.456 671 G CA -0.852 44.312 45.100 0.106 0.000 0.804 671 G HN 0.371 nan 8.290 nan 0.000 0.499 672 D N 0.770 121.209 120.400 0.064 0.000 2.382 672 D HA 0.373 5.012 4.640 -0.001 0.000 0.240 672 D C -1.967 174.363 176.300 0.050 0.000 1.146 672 D CA -0.568 53.464 54.000 0.053 0.000 0.897 672 D CB 0.937 41.762 40.800 0.042 0.000 1.197 672 D HN 0.003 nan 8.370 nan 0.000 0.432 673 P HA 0.074 nan 4.420 nan 0.000 0.264 673 P C -0.463 176.865 177.300 0.048 0.000 1.183 673 P CA 0.410 63.539 63.100 0.050 0.000 0.763 673 P CB 0.429 32.161 31.700 0.053 0.000 0.807 674 R N 0.405 120.935 120.500 0.050 0.000 2.690 674 R HA 0.414 4.753 4.340 -0.001 0.000 0.269 674 R C -1.154 175.184 176.300 0.063 0.000 1.037 674 R CA -1.024 55.107 56.100 0.051 0.000 0.877 674 R CB 1.103 31.429 30.300 0.043 0.000 1.255 674 R HN 0.239 nan 8.270 nan 0.000 0.467 675 E N 1.618 121.857 120.200 0.064 0.000 2.398 675 E HA 0.264 4.614 4.350 -0.001 0.000 0.263 675 E C -0.020 176.632 176.600 0.087 0.000 1.046 675 E CA -0.036 56.414 56.400 0.083 0.000 0.908 675 E CB 0.904 30.640 29.700 0.059 0.000 0.963 675 E HN 0.455 nan 8.360 nan 0.000 0.431 676 I N -1.902 118.751 120.570 0.138 0.000 2.994 676 I HA 0.581 4.751 4.170 -0.001 0.000 0.306 676 I C -0.769 175.481 176.117 0.221 0.000 1.195 676 I CA -0.778 60.604 61.300 0.135 0.000 1.001 676 I CB 2.412 40.464 38.000 0.087 0.000 1.244 676 I HN 0.312 nan 8.210 nan 0.000 0.437 677 S N 4.229 120.032 115.700 0.173 0.000 2.548 677 S HA 0.873 5.343 4.470 -0.001 0.000 0.286 677 S C -1.323 173.387 174.600 0.182 0.000 1.098 677 S CA -0.559 57.761 58.200 0.200 0.000 0.930 677 S CB 1.381 64.651 63.200 0.117 0.000 1.070 677 S HN 0.720 nan 8.310 nan 0.000 0.480 678 L N 2.956 124.312 121.223 0.223 0.000 2.409 678 L HA 0.696 5.035 4.340 -0.001 0.000 0.262 678 L C -0.417 176.539 176.870 0.144 0.000 0.992 678 L CA -0.734 54.207 54.840 0.169 0.000 0.817 678 L CB 2.450 44.618 42.059 0.181 0.000 1.350 678 L HN 0.715 nan 8.230 nan 0.000 0.411 679 R N 1.671 122.233 120.500 0.103 0.000 2.515 679 R HA 0.648 4.988 4.340 -0.001 0.000 0.291 679 R C -1.934 174.408 176.300 0.069 0.000 1.046 679 R CA -0.487 55.661 56.100 0.081 0.000 0.914 679 R CB 2.246 32.585 30.300 0.066 0.000 1.191 679 R HN 0.408 nan 8.270 nan 0.000 0.435 680 V N 4.630 124.584 119.914 0.066 0.000 2.427 680 V HA 0.545 4.665 4.120 -0.001 0.000 0.286 680 V C 1.119 177.241 176.094 0.046 0.000 1.034 680 V CA 0.695 63.030 62.300 0.057 0.000 0.893 680 V CB 1.085 32.944 31.823 0.060 0.000 0.982 680 V HN 1.110 nan 8.190 nan 0.000 0.452 681 G N 5.045 113.871 108.800 0.043 0.000 2.596 681 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.295 681 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.295 681 G C 0.410 175.328 174.900 0.030 0.000 1.240 681 G CA 0.521 45.643 45.100 0.036 0.000 0.985 681 G HN 0.740 nan 8.290 nan 0.000 0.555 682 N N 2.226 120.941 118.700 0.024 0.000 2.251 682 N HA 0.259 4.999 4.740 -0.001 0.000 0.217 682 N C 1.056 176.573 175.510 0.012 0.000 1.124 682 N CA 0.792 53.852 53.050 0.016 0.000 0.843 682 N CB 0.739 39.233 38.487 0.011 0.000 1.024 682 N HN 0.817 nan 8.380 nan 0.000 0.501 683 G N 1.971 110.782 108.800 0.018 0.000 2.508 683 G HA2 0.259 4.218 3.960 -0.001 0.000 0.278 683 G HA3 0.259 4.218 3.960 -0.001 0.000 0.278 683 G C -2.368 172.537 174.900 0.010 0.000 1.389 683 G CA -0.766 44.342 45.100 0.014 0.000 1.050 683 G HN -0.021 nan 8.290 nan 0.000 0.522 684 P HA 0.180 nan 4.420 nan 0.000 0.272 684 P C -0.494 176.815 177.300 0.016 0.000 1.230 684 P CA 0.071 63.167 63.100 -0.006 0.000 0.788 684 P CB 0.764 32.456 31.700 -0.014 0.000 0.949 685 T N 2.524 117.081 114.554 0.005 0.000 2.744 685 T HA 0.427 4.777 4.350 -0.001 0.000 0.291 685 T C 0.065 174.788 174.700 0.037 0.000 0.957 685 T CA -0.331 61.795 62.100 0.044 0.000 1.002 685 T CB 0.008 68.910 68.868 0.056 0.000 0.919 685 T HN 0.178 nan 8.240 nan 0.000 0.468 686 L N 2.799 124.054 121.223 0.054 0.000 2.322 686 L HA 0.769 5.109 4.340 -0.001 0.000 0.281 686 L C 0.203 177.017 176.870 -0.094 0.000 1.014 686 L CA -1.133 53.661 54.840 -0.078 0.000 0.815 686 L CB 1.534 43.537 42.059 -0.093 0.000 1.247 686 L HN 0.635 nan 8.230 nan 0.000 0.421 687 A N 3.249 125.907 122.820 -0.271 0.000 2.337 687 A HA 0.867 5.186 4.320 -0.001 0.000 0.329 687 A C -1.221 176.085 177.584 -0.463 0.000 1.146 687 A CA -0.315 51.614 52.037 -0.180 0.000 0.800 687 A CB 0.859 19.798 19.000 -0.103 0.000 1.220 687 A HN 0.499 nan 8.150 nan 0.000 0.472 688 F N 0.875 120.825 119.950 -0.001 0.000 2.532 688 F HA 0.523 5.049 4.527 -0.001 0.000 0.321 688 F C 1.073 176.881 175.800 0.013 0.000 1.089 688 F CA -0.326 57.683 58.000 0.016 0.000 0.926 688 F CB 2.183 41.209 39.000 0.043 0.000 1.168 688 F HN 0.676 nan 8.300 nan 0.000 0.459 689 S N 0.219 116.028 115.700 0.182 0.000 2.617 689 S HA 0.100 4.570 4.470 -0.001 0.000 0.259 689 S C 1.027 175.715 174.600 0.147 0.000 1.301 689 S CA -0.104 58.175 58.200 0.132 0.000 0.984 689 S CB 0.647 63.919 63.200 0.120 0.000 0.954 689 S HN 0.845 nan 8.310 nan 0.000 0.572 690 E N -0.282 119.981 120.200 0.106 0.000 2.409 690 E HA -0.186 4.163 4.350 -0.001 0.000 0.198 690 E C 1.128 177.783 176.600 0.092 0.000 1.024 690 E CA 0.908 57.362 56.400 0.090 0.000 0.861 690 E CB -0.421 29.321 29.700 0.070 0.000 0.788 690 E HN 0.753 nan 8.360 nan 0.000 0.521 691 Q N 0.053 119.917 119.800 0.107 0.000 2.246 691 Q HA 0.226 4.565 4.340 -0.001 0.000 0.202 691 Q C 0.727 176.805 176.000 0.129 0.000 0.883 691 Q CA 0.434 56.298 55.803 0.103 0.000 0.952 691 Q CB 1.036 29.831 28.738 0.096 0.000 1.078 691 Q HN 0.477 nan 8.270 nan 0.000 0.493 692 G N 0.294 109.191 108.800 0.161 0.000 2.136 692 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.242 692 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.242 692 G C -0.287 174.831 174.900 0.362 0.000 0.989 692 G CA -0.175 45.035 45.100 0.183 0.000 0.682 692 G HN 0.271 nan 8.290 nan 0.000 0.522 693 L N -0.118 121.330 121.223 0.374 0.000 2.325 693 L HA 0.693 5.032 4.340 -0.001 0.000 0.278 693 L C 0.798 177.875 176.870 0.345 0.000 1.023 693 L CA -1.374 53.722 54.840 0.426 0.000 0.811 693 L CB 1.570 43.794 42.059 0.275 0.000 1.249 693 L HN 0.121 nan 8.230 nan 0.000 0.431 694 L N 2.899 124.310 121.223 0.313 0.000 2.559 694 L HA -0.070 4.270 4.340 -0.001 0.000 0.282 694 L C 0.795 177.495 176.870 -0.284 0.000 1.232 694 L CA 1.214 55.938 54.840 -0.194 0.000 0.885 694 L CB 0.057 42.080 42.059 -0.060 0.000 1.131 694 L HN 0.633 nan 8.230 nan 0.000 0.498 695 K N 1.373 121.484 120.400 -0.483 0.000 2.474 695 K HA 0.239 4.558 4.320 -0.001 0.000 0.202 695 K C -0.315 175.893 176.600 -0.654 0.000 1.248 695 K CA 0.597 56.416 56.287 -0.781 0.000 0.946 695 K CB 0.648 32.840 32.500 -0.515 0.000 1.102 695 K HN 0.798 nan 8.250 nan 0.000 0.541 696 S N -0.087 115.368 115.700 -0.408 0.000 2.565 696 S HA 0.544 5.014 4.470 -0.001 0.000 0.269 696 S C -1.174 173.312 174.600 -0.190 0.000 1.153 696 S CA -1.004 57.050 58.200 -0.244 0.000 0.835 696 S CB 1.467 64.598 63.200 -0.114 0.000 1.122 696 S HN 0.053 nan 8.310 nan 0.000 0.462 697 I N 1.357 121.853 120.570 -0.124 0.000 2.466 697 I HA 0.450 4.620 4.170 -0.001 0.000 0.289 697 I C -0.537 175.529 176.117 -0.084 0.000 1.026 697 I CA -0.393 60.848 61.300 -0.099 0.000 1.078 697 I CB 2.106 40.040 38.000 -0.110 0.000 1.249 697 I HN 0.728 nan 8.210 nan 0.000 0.429 698 Q N 6.001 125.737 119.800 -0.107 0.000 2.368 698 Q HA 0.408 4.748 4.340 -0.001 0.000 0.263 698 Q C 0.125 176.041 176.000 -0.139 0.000 1.009 698 Q CA -0.501 55.172 55.803 -0.217 0.000 0.818 698 Q CB 1.599 30.047 28.738 -0.483 0.000 1.239 698 Q HN 0.779 nan 8.270 nan 0.000 0.464 699 L N 2.036 123.191 121.223 -0.115 0.000 2.093 699 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 699 L C 1.098 177.927 176.870 -0.069 0.000 1.085 699 L CA 1.224 56.018 54.840 -0.077 0.000 0.755 699 L CB -0.250 41.770 42.059 -0.066 0.000 0.904 699 L HN 0.667 nan 8.230 nan 0.000 0.435 700 T N -6.623 107.880 114.554 -0.085 0.000 2.883 700 T HA 0.207 4.556 4.350 -0.001 0.000 0.296 700 T C 0.257 174.910 174.700 -0.078 0.000 1.117 700 T CA -0.736 61.325 62.100 -0.064 0.000 1.006 700 T CB 2.203 71.042 68.868 -0.048 0.000 1.191 700 T HN -0.224 nan 8.240 nan 0.000 0.508 701 Q N 1.126 120.897 119.800 -0.048 0.000 2.156 701 Q HA -0.198 4.142 4.340 -0.001 0.000 0.211 701 Q C 1.682 177.654 176.000 -0.045 0.000 0.995 701 Q CA 2.827 58.608 55.803 -0.036 0.000 0.877 701 Q CB -0.460 28.270 28.738 -0.014 0.000 0.920 701 Q HN 0.878 nan 8.270 nan 0.000 0.416 702 D N -1.624 118.749 120.400 -0.044 0.000 2.348 702 D HA -0.012 4.628 4.640 -0.001 0.000 0.211 702 D C 0.345 176.615 176.300 -0.050 0.000 0.998 702 D CA 0.576 54.555 54.000 -0.035 0.000 0.873 702 D CB -0.025 40.760 40.800 -0.025 0.000 0.925 702 D HN 0.216 nan 8.370 nan 0.000 0.524 703 S N 0.615 116.266 115.700 -0.081 0.000 2.693 703 S HA 0.534 5.004 4.470 -0.001 0.000 0.276 703 S C -2.725 171.794 174.600 -0.134 0.000 1.192 703 S CA -1.216 56.929 58.200 -0.090 0.000 0.994 703 S CB 1.438 64.584 63.200 -0.090 0.000 1.012 703 S HN -0.157 nan 8.310 nan 0.000 0.550 704 P HA 0.232 nan 4.420 nan 0.000 0.274 704 P C -0.721 176.498 177.300 -0.137 0.000 1.231 704 P CA -0.289 62.771 63.100 -0.067 0.000 0.790 704 P CB 0.142 31.838 31.700 -0.006 0.000 0.951 705 H N 0.723 119.782 119.070 -0.017 0.000 3.015 705 H HA 0.138 4.693 4.556 -0.001 0.000 0.268 705 H C -0.111 175.191 175.328 -0.043 0.000 1.113 705 H CA -0.318 55.707 56.048 -0.037 0.000 1.479 705 H CB 0.038 29.777 29.762 -0.038 0.000 1.493 705 H HN 0.124 nan 8.280 nan 0.000 0.486 706 V N 7.210 127.128 119.914 0.008 0.000 2.455 706 V HA 0.070 4.190 4.120 -0.001 0.000 0.273 706 V C -1.863 174.186 176.094 -0.074 0.000 1.045 706 V CA -1.626 60.658 62.300 -0.025 0.000 0.976 706 V CB 0.854 32.648 31.823 -0.049 0.000 0.993 706 V HN 0.583 nan 8.190 nan 0.000 0.475 707 P HA 0.186 nan 4.420 nan 0.000 0.267 707 P C -0.798 176.407 177.300 -0.158 0.000 1.209 707 P CA 0.163 63.176 63.100 -0.145 0.000 0.763 707 P CB 0.566 32.083 31.700 -0.305 0.000 0.816 708 V N 4.772 124.576 119.914 -0.182 0.000 2.555 708 V HA 0.181 4.301 4.120 -0.001 0.000 0.283 708 V C -0.813 175.094 176.094 -0.311 0.000 1.020 708 V CA -0.446 61.718 62.300 -0.227 0.000 0.883 708 V CB 0.856 32.516 31.823 -0.271 0.000 1.030 708 V HN 0.524 nan 8.190 nan 0.000 0.448 709 H N 4.128 123.034 119.070 -0.273 0.000 2.511 709 H HA 0.621 5.176 4.556 -0.001 0.000 0.328 709 H C -0.663 174.543 175.328 -0.202 0.000 1.044 709 H CA -0.423 55.511 56.048 -0.190 0.000 1.212 709 H CB 1.141 30.827 29.762 -0.126 0.000 1.428 709 H HN 0.452 nan 8.280 nan 0.000 0.483 710 F N 2.590 122.514 119.950 -0.044 0.000 2.412 710 F HA 0.354 4.881 4.527 -0.001 0.000 0.348 710 F C 0.510 176.217 175.800 -0.154 0.000 1.102 710 F CA -0.139 57.775 58.000 -0.144 0.000 1.196 710 F CB 0.861 39.774 39.000 -0.145 0.000 1.144 710 F HN 0.335 nan 8.300 nan 0.000 0.541 711 K N 3.189 123.560 120.400 -0.048 0.000 2.498 711 K HA 0.509 4.829 4.320 -0.001 0.000 0.254 711 K C -1.944 174.467 176.600 -0.314 0.000 0.933 711 K CA -0.585 55.650 56.287 -0.087 0.000 0.806 711 K CB 1.417 33.898 32.500 -0.031 0.000 1.301 711 K HN 0.394 nan 8.250 nan 0.000 0.432 712 F N 3.818 123.737 119.950 -0.052 0.000 2.436 712 F HA 0.487 5.014 4.527 -0.001 0.000 0.340 712 F C -0.366 175.405 175.800 -0.048 0.000 1.113 712 F CA -0.613 57.351 58.000 -0.060 0.000 1.022 712 F CB 1.196 40.140 39.000 -0.093 0.000 1.128 712 F HN 0.237 nan 8.300 nan 0.000 0.466 713 L N 2.692 123.967 121.223 0.086 0.000 2.277 713 L HA 0.646 4.986 4.340 -0.001 0.000 0.254 713 L C -1.160 175.706 176.870 -0.007 0.000 1.044 713 L CA -1.027 53.810 54.840 -0.006 0.000 0.842 713 L CB 2.217 44.208 42.059 -0.113 0.000 1.422 713 L HN 0.479 nan 8.230 nan 0.000 0.422 714 K N -0.406 119.949 120.400 -0.076 0.000 2.427 714 K HA 0.654 4.973 4.320 -0.001 0.000 0.252 714 K C -1.803 174.732 176.600 -0.109 0.000 0.931 714 K CA -0.805 55.470 56.287 -0.020 0.000 0.793 714 K CB 1.708 34.226 32.500 0.030 0.000 1.211 714 K HN 0.240 nan 8.250 nan 0.000 0.426 715 Y N 0.605 120.966 120.300 0.100 0.000 2.352 715 Y HA 0.514 5.063 4.550 -0.001 0.000 0.326 715 Y C 1.025 176.980 175.900 0.092 0.000 1.166 715 Y CA 0.013 58.184 58.100 0.118 0.000 1.182 715 Y CB 2.089 40.688 38.460 0.231 0.000 1.216 715 Y HN 0.912 nan 8.280 nan 0.000 0.474 716 G N 0.534 109.473 108.800 0.232 0.000 2.971 716 G HA2 0.636 4.596 3.960 -0.001 0.000 0.235 716 G HA3 0.636 4.596 3.960 -0.001 0.000 0.235 716 G C -1.457 173.511 174.900 0.112 0.000 1.351 716 G CA -0.758 44.422 45.100 0.133 0.000 1.039 716 G HN 0.433 nan 8.290 nan 0.000 0.563 717 V N -0.142 119.803 119.914 0.051 0.000 2.823 717 V HA 0.458 4.577 4.120 -0.001 0.000 0.312 717 V C -0.052 176.018 176.094 -0.040 0.000 1.072 717 V CA -0.896 61.413 62.300 0.015 0.000 0.937 717 V CB 1.925 33.763 31.823 0.024 0.000 1.013 717 V HN 0.684 nan 8.190 nan 0.000 0.430 718 R N 1.432 121.884 120.500 -0.080 0.000 2.537 718 R HA 0.181 4.520 4.340 -0.001 0.000 0.280 718 R C 1.159 177.360 176.300 -0.164 0.000 1.058 718 R CA 0.422 56.418 56.100 -0.173 0.000 1.057 718 R CB 0.568 30.759 30.300 -0.182 0.000 0.973 718 R HN 0.926 nan 8.270 nan 0.000 0.438 719 S N 1.201 116.755 115.700 -0.244 0.000 2.458 719 S HA -0.054 4.415 4.470 -0.001 0.000 0.223 719 S C 0.264 174.825 174.600 -0.065 0.000 1.019 719 S CA 0.076 58.205 58.200 -0.119 0.000 0.937 719 S CB -0.245 62.919 63.200 -0.061 0.000 0.788 719 S HN 0.790 nan 8.310 nan 0.000 0.511 720 H N -0.335 118.738 119.070 0.004 0.000 2.489 720 H HA 0.791 5.346 4.556 -0.001 0.000 0.343 720 H C 0.728 176.055 175.328 -0.002 0.000 1.086 720 H CA -0.432 55.616 56.048 0.001 0.000 1.198 720 H CB 0.960 30.723 29.762 0.001 0.000 1.490 720 H HN 0.355 nan 8.280 nan 0.000 0.504 721 G N 2.214 111.087 108.800 0.121 0.000 2.484 721 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.225 721 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.225 721 G C -1.180 173.733 174.900 0.023 0.000 1.250 721 G CA -0.302 44.844 45.100 0.077 0.000 0.926 721 G HN 0.769 nan 8.290 nan 0.000 0.581 722 D N 1.189 121.594 120.400 0.009 0.000 2.255 722 D HA 0.605 5.245 4.640 -0.001 0.000 0.249 722 D C 0.748 177.036 176.300 -0.020 0.000 1.078 722 D CA 0.031 54.026 54.000 -0.008 0.000 0.896 722 D CB 1.145 41.938 40.800 -0.012 0.000 1.194 722 D HN 0.462 nan 8.370 nan 0.000 0.429 723 R N 0.462 120.952 120.500 -0.016 0.000 2.368 723 R HA 0.338 4.677 4.340 -0.001 0.000 0.302 723 R C 0.056 176.352 176.300 -0.006 0.000 1.002 723 R CA -0.447 55.646 56.100 -0.011 0.000 0.929 723 R CB 1.089 31.389 30.300 0.000 0.000 1.073 723 R HN 0.247 nan 8.270 nan 0.000 0.464 724 S N 0.685 116.390 115.700 0.009 0.000 2.563 724 S HA 0.415 4.884 4.470 -0.001 0.000 0.284 724 S C 0.428 175.050 174.600 0.037 0.000 1.331 724 S CA 0.311 58.532 58.200 0.035 0.000 1.047 724 S CB 1.029 64.279 63.200 0.084 0.000 0.859 724 S HN 0.772 nan 8.310 nan 0.000 0.514 725 G N 0.000 108.824 108.800 0.039 0.000 2.846 725 G HA2 0.583 4.542 3.960 -0.001 0.000 0.299 725 G HA3 0.583 4.542 3.960 -0.001 0.000 0.299 725 G C 0.520 175.446 174.900 0.043 0.000 1.242 725 G CA -0.104 45.027 45.100 0.052 0.000 0.800 725 G HN 0.703 nan 8.290 nan 0.000 0.538 726 A N -1.261 121.577 122.820 0.030 0.000 1.972 726 A HA 0.102 4.422 4.320 -0.001 0.000 0.219 726 A C 1.916 179.419 177.584 -0.134 0.000 1.169 726 A CA 1.966 53.961 52.037 -0.069 0.000 0.635 726 A CB -0.610 18.284 19.000 -0.175 0.000 0.810 726 A HN 0.582 nan 8.150 nan 0.000 0.446 727 Y N -0.749 119.488 120.300 -0.105 0.000 2.301 727 Y HA 0.338 4.888 4.550 -0.001 0.000 0.295 727 Y C 0.918 176.700 175.900 -0.196 0.000 1.126 727 Y CA 0.074 58.035 58.100 -0.230 0.000 1.154 727 Y CB -0.166 37.801 38.460 -0.821 0.000 1.075 727 Y HN 0.023 nan 8.280 nan 0.000 0.534 728 L N 0.392 121.571 121.223 -0.072 0.000 2.325 728 L HA 0.219 4.559 4.340 -0.001 0.000 0.279 728 L C -1.114 175.802 176.870 0.077 0.000 1.054 728 L CA -0.630 54.169 54.840 -0.068 0.000 0.804 728 L CB 1.023 42.994 42.059 -0.147 0.000 1.200 728 L HN 0.018 nan 8.230 nan 0.000 0.436 729 F N 4.700 124.588 119.950 -0.102 0.000 2.332 729 F HA 0.484 5.011 4.527 -0.001 0.000 0.368 729 F C -0.750 174.971 175.800 -0.133 0.000 1.110 729 F CA -1.173 56.728 58.000 -0.165 0.000 1.087 729 F CB 0.587 39.419 39.000 -0.281 0.000 1.235 729 F HN 0.200 nan 8.300 nan 0.000 0.470 730 L N 9.121 130.246 121.223 -0.162 0.000 2.529 730 L HA 0.333 4.673 4.340 -0.001 0.000 0.246 730 L C -2.363 174.340 176.870 -0.279 0.000 1.394 730 L CA -1.719 52.972 54.840 -0.248 0.000 0.906 730 L CB 1.114 43.116 42.059 -0.094 0.000 1.170 730 L HN 0.384 nan 8.230 nan 0.000 0.501 731 P HA 0.041 nan 4.420 nan 0.000 0.272 731 P C -0.497 176.724 177.300 -0.132 0.000 1.223 731 P CA -0.293 62.632 63.100 -0.292 0.000 0.784 731 P CB 0.596 32.008 31.700 -0.479 0.000 0.923 732 N N 1.130 119.814 118.700 -0.028 0.000 3.250 732 N HA 0.272 5.011 4.740 -0.001 0.000 0.307 732 N C 0.661 176.178 175.510 0.011 0.000 1.355 732 N CA -0.166 52.864 53.050 -0.033 0.000 1.192 732 N CB -0.845 37.617 38.487 -0.042 0.000 1.478 732 N HN 0.742 nan 8.380 nan 0.000 0.543 733 G N 0.689 109.498 108.800 0.014 0.000 2.655 733 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.680 733 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.680 733 G C -3.087 171.887 174.900 0.124 0.000 1.302 733 G CA -1.124 44.002 45.100 0.043 0.000 0.872 733 G HN 0.355 nan 8.290 nan 0.000 0.540 734 P HA 0.453 nan 4.420 nan 0.000 0.269 734 P C 0.533 177.801 177.300 -0.053 0.000 1.217 734 P CA 0.645 63.812 63.100 0.111 0.000 0.783 734 P CB 0.384 32.113 31.700 0.048 0.000 0.898 735 A N 1.948 124.548 122.820 -0.365 0.000 2.425 735 A HA 0.358 4.678 4.320 -0.001 0.000 0.242 735 A C 0.193 177.625 177.584 -0.253 0.000 1.077 735 A CA 0.324 51.983 52.037 -0.629 0.000 0.781 735 A CB -0.302 18.072 19.000 -1.045 0.000 1.020 735 A HN 0.476 nan 8.150 nan 0.000 0.494 736 S N 2.583 118.174 115.700 -0.181 0.000 2.509 736 S HA 0.593 5.062 4.470 -0.001 0.000 0.297 736 S C -2.684 171.875 174.600 -0.067 0.000 1.118 736 S CA -1.066 57.081 58.200 -0.088 0.000 1.074 736 S CB 1.236 64.408 63.200 -0.047 0.000 1.038 736 S HN 0.598 nan 8.310 nan 0.000 0.498 737 P HA 0.093 nan 4.420 nan 0.000 0.268 737 P C -0.594 176.709 177.300 0.006 0.000 1.204 737 P CA -0.330 62.763 63.100 -0.011 0.000 0.768 737 P CB 0.215 31.914 31.700 -0.001 0.000 0.842 738 V N 3.958 123.891 119.914 0.031 0.000 2.540 738 V HA -0.070 4.050 4.120 -0.001 0.000 0.297 738 V C 1.097 177.204 176.094 0.023 0.000 1.024 738 V CA 0.394 62.712 62.300 0.030 0.000 1.105 738 V CB -0.668 31.183 31.823 0.047 0.000 0.938 738 V HN 0.513 nan 8.190 nan 0.000 0.482 739 E N 4.887 125.094 120.200 0.011 0.000 2.292 739 E HA 0.092 4.442 4.350 -0.001 0.000 0.265 739 E C 0.485 177.089 176.600 0.007 0.000 1.093 739 E CA -0.111 56.296 56.400 0.011 0.000 0.922 739 E CB 0.567 30.272 29.700 0.009 0.000 1.001 739 E HN 0.571 nan 8.360 nan 0.000 0.444 740 L N 2.734 123.966 121.223 0.015 0.000 2.529 740 L HA 0.119 4.459 4.340 -0.001 0.000 0.223 740 L C 1.430 178.310 176.870 0.015 0.000 1.113 740 L CA 0.268 55.114 54.840 0.009 0.000 0.861 740 L CB -0.590 41.483 42.059 0.024 0.000 1.012 740 L HN 0.849 nan 8.230 nan 0.000 0.461 741 G N 0.934 109.746 108.800 0.021 0.000 2.611 741 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.301 741 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.301 741 G C 0.164 175.085 174.900 0.035 0.000 1.233 741 G CA 0.285 45.401 45.100 0.027 0.000 0.993 741 G HN 0.382 nan 8.290 nan 0.000 0.553 742 Q N 1.632 121.457 119.800 0.041 0.000 2.700 742 Q HA 0.445 4.785 4.340 -0.001 0.000 0.249 742 Q C -2.246 173.790 176.000 0.060 0.000 1.033 742 Q CA -1.626 54.206 55.803 0.048 0.000 0.804 742 Q CB 1.305 30.070 28.738 0.045 0.000 1.164 742 Q HN 0.561 nan 8.270 nan 0.000 0.500 743 P HA 0.074 nan 4.420 nan 0.000 0.274 743 P C -0.506 176.859 177.300 0.107 0.000 1.237 743 P CA -0.320 62.826 63.100 0.077 0.000 0.793 743 P CB 1.094 32.821 31.700 0.045 0.000 0.977 744 V N 2.259 122.274 119.914 0.169 0.000 2.488 744 V HA 0.119 4.239 4.120 -0.001 0.000 0.277 744 V C 0.511 176.756 176.094 0.252 0.000 1.046 744 V CA -0.222 62.201 62.300 0.204 0.000 0.986 744 V CB 1.101 33.083 31.823 0.265 0.000 0.989 744 V HN 0.249 nan 8.190 nan 0.000 0.475 745 V N 6.449 126.455 119.914 0.153 0.000 2.459 745 V HA 0.482 4.602 4.120 -0.001 0.000 0.295 745 V C -0.377 175.740 176.094 0.038 0.000 1.029 745 V CA -0.665 61.703 62.300 0.114 0.000 0.874 745 V CB 1.730 33.578 31.823 0.042 0.000 0.985 745 V HN 0.663 nan 8.190 nan 0.000 0.438 746 L N 6.438 127.679 121.223 0.030 0.000 2.325 746 L HA 0.706 5.045 4.340 -0.001 0.000 0.281 746 L C -0.606 176.148 176.870 -0.194 0.000 1.004 746 L CA -0.008 54.724 54.840 -0.180 0.000 0.823 746 L CB 1.739 43.594 42.059 -0.341 0.000 1.236 746 L HN 0.444 nan 8.230 nan 0.000 0.415 747 V N 4.095 123.883 119.914 -0.209 0.000 2.384 747 V HA 0.554 4.673 4.120 -0.001 0.000 0.287 747 V C 0.037 176.053 176.094 -0.130 0.000 1.020 747 V CA -0.397 61.800 62.300 -0.172 0.000 0.850 747 V CB 1.523 33.261 31.823 -0.141 0.000 0.987 747 V HN 0.837 nan 8.190 nan 0.000 0.436 748 T N 5.328 119.833 114.554 -0.082 0.000 2.792 748 T HA 0.448 4.797 4.350 -0.001 0.000 0.280 748 T C -0.405 174.316 174.700 0.034 0.000 0.990 748 T CA -0.575 61.533 62.100 0.014 0.000 0.960 748 T CB 1.174 70.090 68.868 0.080 0.000 0.939 748 T HN 0.648 nan 8.240 nan 0.000 0.439 749 K N 2.318 122.755 120.400 0.063 0.000 2.450 749 K HA 0.675 4.994 4.320 -0.001 0.000 0.257 749 K C -0.336 176.320 176.600 0.093 0.000 0.953 749 K CA -0.564 55.761 56.287 0.064 0.000 0.844 749 K CB 0.988 33.519 32.500 0.051 0.000 1.103 749 K HN 0.793 nan 8.250 nan 0.000 0.429 750 G N 2.141 110.993 108.800 0.086 0.000 2.658 750 G HA2 0.166 4.126 3.960 -0.001 0.000 0.292 750 G HA3 0.166 4.126 3.960 -0.001 0.000 0.292 750 G C -0.198 174.745 174.900 0.071 0.000 1.320 750 G CA -0.641 44.512 45.100 0.089 0.000 0.933 750 G HN 0.650 nan 8.290 nan 0.000 0.476 751 K N -0.317 120.122 120.400 0.064 0.000 2.097 751 K HA 0.116 4.436 4.320 -0.001 0.000 0.205 751 K C 1.670 178.304 176.600 0.057 0.000 1.050 751 K CA 1.134 57.455 56.287 0.056 0.000 0.938 751 K CB -0.169 32.361 32.500 0.050 0.000 0.718 751 K HN 0.414 nan 8.250 nan 0.000 0.442 752 L N -0.569 120.689 121.223 0.060 0.000 2.408 752 L HA 0.214 4.553 4.340 -0.001 0.000 0.215 752 L C 0.546 177.450 176.870 0.057 0.000 1.081 752 L CA 0.071 54.947 54.840 0.059 0.000 0.840 752 L CB 0.331 42.429 42.059 0.065 0.000 1.002 752 L HN 0.205 nan 8.230 nan 0.000 0.468 753 E N -0.216 120.023 120.200 0.064 0.000 2.311 753 E HA 0.376 4.726 4.350 -0.001 0.000 0.281 753 E C -1.496 175.146 176.600 0.070 0.000 0.905 753 E CA -0.195 56.243 56.400 0.063 0.000 0.778 753 E CB 2.096 31.833 29.700 0.062 0.000 1.240 753 E HN -0.122 nan 8.360 nan 0.000 0.410 754 S N 1.245 116.982 115.700 0.062 0.000 2.634 754 S HA 0.805 5.275 4.470 -0.001 0.000 0.296 754 S C -1.257 173.361 174.600 0.030 0.000 1.104 754 S CA -0.660 57.571 58.200 0.051 0.000 0.920 754 S CB 1.794 65.024 63.200 0.050 0.000 1.111 754 S HN 0.630 nan 8.310 nan 0.000 0.493 755 S N -0.300 115.392 115.700 -0.013 0.000 2.565 755 S HA 0.706 5.175 4.470 -0.001 0.000 0.269 755 S C -1.696 172.800 174.600 -0.173 0.000 1.153 755 S CA -0.775 57.389 58.200 -0.059 0.000 0.835 755 S CB 0.985 64.175 63.200 -0.017 0.000 1.122 755 S HN 0.455 nan 8.310 nan 0.000 0.462 756 V N 1.822 121.572 119.914 -0.274 0.000 2.444 756 V HA 0.726 4.846 4.120 -0.001 0.000 0.294 756 V C -0.446 175.513 176.094 -0.225 0.000 1.022 756 V CA -0.382 61.690 62.300 -0.379 0.000 0.850 756 V CB 1.484 32.767 31.823 -0.900 0.000 0.992 756 V HN 0.979 nan 8.190 nan 0.000 0.426 757 S N 3.272 118.897 115.700 -0.125 0.000 2.513 757 S HA 0.791 5.261 4.470 -0.001 0.000 0.299 757 S C -0.794 173.742 174.600 -0.107 0.000 1.087 757 S CA -0.618 57.517 58.200 -0.109 0.000 1.012 757 S CB 2.148 65.385 63.200 0.061 0.000 1.044 757 S HN 0.653 nan 8.310 nan 0.000 0.485 758 V N 2.006 121.734 119.914 -0.310 0.000 2.760 758 V HA 0.806 4.925 4.120 -0.001 0.000 0.309 758 V C -0.041 175.693 176.094 -0.600 0.000 1.077 758 V CA -0.459 61.675 62.300 -0.278 0.000 0.910 758 V CB 1.843 33.639 31.823 -0.045 0.000 1.008 758 V HN 0.991 nan 8.190 nan 0.000 0.424 759 G N 6.919 115.397 108.800 -0.536 0.000 2.639 759 G HA2 0.515 4.474 3.960 -0.001 0.000 0.312 759 G HA3 0.515 4.474 3.960 -0.001 0.000 0.312 759 G C -0.481 174.307 174.900 -0.187 0.000 0.911 759 G CA -0.318 44.531 45.100 -0.417 0.000 1.410 759 G HN 0.699 nan 8.290 nan 0.000 0.469 760 L N 2.660 123.728 121.223 -0.258 0.000 2.416 760 L HA 0.383 4.723 4.340 -0.001 0.000 0.262 760 L C -2.000 174.746 176.870 -0.206 0.000 1.093 760 L CA -2.306 52.405 54.840 -0.215 0.000 0.801 760 L CB 1.618 43.481 42.059 -0.326 0.000 1.191 760 L HN 0.201 nan 8.230 nan 0.000 0.459 761 P HA 0.065 nan 4.420 nan 0.000 0.267 761 P C 0.101 177.294 177.300 -0.177 0.000 1.209 761 P CA 0.412 63.422 63.100 -0.150 0.000 0.763 761 P CB 0.938 32.578 31.700 -0.101 0.000 0.816 762 S N -0.222 115.381 115.700 -0.162 0.000 2.829 762 S HA -0.121 4.348 4.470 -0.001 0.000 0.267 762 S C 0.236 174.723 174.600 -0.189 0.000 1.293 762 S CA 1.355 59.470 58.200 -0.141 0.000 1.375 762 S CB -1.490 61.652 63.200 -0.097 0.000 1.700 762 S HN 0.406 nan 8.310 nan 0.000 0.668 763 V N 1.407 121.149 119.914 -0.286 0.000 2.612 763 V HA 0.449 4.568 4.120 -0.001 0.000 0.301 763 V C -0.182 175.687 176.094 -0.375 0.000 1.059 763 V CA -0.789 61.298 62.300 -0.355 0.000 0.886 763 V CB 2.070 33.511 31.823 -0.637 0.000 1.007 763 V HN 0.104 nan 8.190 nan 0.000 0.426 764 V N 4.215 123.923 119.914 -0.343 0.000 2.368 764 V HA 0.302 4.422 4.120 -0.001 0.000 0.266 764 V C -0.114 175.773 176.094 -0.344 0.000 1.045 764 V CA -0.304 61.693 62.300 -0.505 0.000 0.899 764 V CB 0.660 32.080 31.823 -0.671 0.000 1.006 764 V HN 0.932 nan 8.190 nan 0.000 0.470 765 H N 4.839 123.653 119.070 -0.426 0.000 2.488 765 H HA 0.630 5.185 4.556 -0.001 0.000 0.322 765 H C -0.431 174.785 175.328 -0.187 0.000 1.078 765 H CA -0.383 55.522 56.048 -0.238 0.000 1.260 765 H CB 1.122 30.781 29.762 -0.172 0.000 1.425 765 H HN 0.697 nan 8.280 nan 0.000 0.471 766 Q N 3.313 122.793 119.800 -0.532 0.000 2.323 766 Q HA 0.400 4.739 4.340 -0.001 0.000 0.271 766 Q C -1.103 174.684 176.000 -0.354 0.000 1.048 766 Q CA -1.019 54.566 55.803 -0.363 0.000 0.792 766 Q CB 2.479 31.112 28.738 -0.176 0.000 1.280 766 Q HN 0.606 nan 8.270 nan 0.000 0.441 767 T N 2.971 117.401 114.554 -0.206 0.000 2.770 767 T HA 0.587 4.936 4.350 -0.001 0.000 0.283 767 T C -0.330 174.393 174.700 0.038 0.000 0.988 767 T CA -0.414 61.687 62.100 0.001 0.000 0.957 767 T CB 0.320 69.356 68.868 0.281 0.000 0.930 767 T HN 0.376 nan 8.240 nan 0.000 0.443 768 I N 3.630 124.236 120.570 0.061 0.000 2.433 768 I HA 0.492 4.662 4.170 -0.001 0.000 0.292 768 I C -0.270 175.897 176.117 0.083 0.000 1.001 768 I CA -0.818 60.516 61.300 0.057 0.000 1.119 768 I CB 1.804 39.828 38.000 0.041 0.000 1.289 768 I HN 0.386 nan 8.210 nan 0.000 0.438 769 M N 5.860 125.508 119.600 0.080 0.000 2.190 769 M HA 0.471 4.951 4.480 -0.001 0.000 0.312 769 M C 0.196 176.534 176.300 0.063 0.000 0.990 769 M CA -0.307 55.043 55.300 0.084 0.000 0.927 769 M CB 2.085 34.749 32.600 0.106 0.000 1.571 769 M HN 0.484 nan 8.290 nan 0.000 0.427 770 R N 1.219 121.751 120.500 0.054 0.000 2.565 770 R HA 0.357 4.697 4.340 -0.001 0.000 0.347 770 R C 0.817 177.142 176.300 0.042 0.000 1.010 770 R CA 0.246 56.372 56.100 0.044 0.000 1.126 770 R CB 1.073 31.393 30.300 0.032 0.000 1.331 770 R HN 1.137 nan 8.270 nan 0.000 0.552 771 G N -0.396 108.430 108.800 0.044 0.000 2.255 771 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.196 771 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.196 771 G C 0.290 175.208 174.900 0.030 0.000 0.998 771 G CA -0.368 44.755 45.100 0.037 0.000 0.656 771 G HN 0.526 nan 8.290 nan 0.000 0.490 772 G N -0.021 108.797 108.800 0.030 0.000 3.291 772 G HA2 0.778 4.737 3.960 -0.001 0.000 0.173 772 G HA3 0.778 4.737 3.960 -0.001 0.000 0.173 772 G C 0.415 175.331 174.900 0.027 0.000 1.099 772 G CA 0.569 45.682 45.100 0.022 0.000 0.794 772 G HN 1.539 nan 8.290 nan 0.000 0.651 773 A N 1.610 124.444 122.820 0.023 0.000 2.540 773 A HA 0.539 4.858 4.320 -0.001 0.000 0.239 773 A C -1.803 175.814 177.584 0.055 0.000 1.061 773 A CA -0.477 51.579 52.037 0.031 0.000 0.758 773 A CB -0.441 18.575 19.000 0.027 0.000 0.991 773 A HN 0.360 nan 8.150 nan 0.000 0.502 774 P HA 0.130 nan 4.420 nan 0.000 0.270 774 P C -0.437 176.931 177.300 0.113 0.000 1.223 774 P CA -0.153 63.008 63.100 0.102 0.000 0.785 774 P CB 0.596 32.380 31.700 0.139 0.000 0.923 775 E N 1.207 121.471 120.200 0.107 0.000 2.179 775 E HA 0.392 4.742 4.350 -0.001 0.000 0.275 775 E C -0.848 175.826 176.600 0.123 0.000 0.945 775 E CA -0.712 55.755 56.400 0.111 0.000 0.792 775 E CB 0.598 30.339 29.700 0.068 0.000 1.125 775 E HN 0.194 nan 8.360 nan 0.000 0.397 776 I N 4.154 124.831 120.570 0.178 0.000 2.404 776 I HA 0.410 4.580 4.170 -0.001 0.000 0.293 776 I C -0.046 176.189 176.117 0.197 0.000 0.992 776 I CA -0.615 60.771 61.300 0.145 0.000 1.149 776 I CB 1.257 39.361 38.000 0.172 0.000 1.315 776 I HN 0.573 nan 8.210 nan 0.000 0.446 777 R N 4.670 125.215 120.500 0.074 0.000 2.513 777 R HA 0.491 4.830 4.340 -0.001 0.000 0.301 777 R C -0.953 175.395 176.300 0.081 0.000 0.968 777 R CA -0.849 55.306 56.100 0.093 0.000 0.872 777 R CB 2.025 32.338 30.300 0.022 0.000 1.177 777 R HN 0.459 nan 8.270 nan 0.000 0.444 778 N N 2.594 121.406 118.700 0.187 0.000 2.407 778 N HA 0.199 4.938 4.740 -0.001 0.000 0.277 778 N C -1.248 174.276 175.510 0.024 0.000 0.995 778 N CA -0.711 52.426 53.050 0.146 0.000 0.903 778 N CB 1.860 40.539 38.487 0.320 0.000 1.218 778 N HN 0.318 nan 8.380 nan 0.000 0.487 779 L N 3.743 124.923 121.223 -0.072 0.000 2.282 779 L HA 0.379 4.718 4.340 -0.001 0.000 0.287 779 L C -1.022 175.781 176.870 -0.111 0.000 1.075 779 L CA -0.470 54.309 54.840 -0.101 0.000 0.839 779 L CB 0.433 42.422 42.059 -0.116 0.000 1.219 779 L HN 0.214 nan 8.230 nan 0.000 0.434 780 V N 4.633 124.484 119.914 -0.106 0.000 2.350 780 V HA 0.390 4.509 4.120 -0.001 0.000 0.276 780 V C -0.489 175.569 176.094 -0.060 0.000 1.028 780 V CA -0.517 61.737 62.300 -0.076 0.000 0.860 780 V CB 1.324 33.130 31.823 -0.028 0.000 0.990 780 V HN 0.684 nan 8.190 nan 0.000 0.453 781 D N 4.074 124.439 120.400 -0.058 0.000 2.375 781 D HA 0.265 4.904 4.640 -0.001 0.000 0.259 781 D C 0.475 176.759 176.300 -0.028 0.000 1.235 781 D CA -0.397 53.581 54.000 -0.036 0.000 0.924 781 D CB 1.402 42.178 40.800 -0.040 0.000 1.143 781 D HN 0.469 nan 8.370 nan 0.000 0.529 782 I N 2.416 122.985 120.570 -0.002 0.000 3.176 782 I HA 0.088 4.257 4.170 -0.001 0.000 0.275 782 I C 1.378 177.498 176.117 0.006 0.000 1.298 782 I CA 0.999 62.304 61.300 0.008 0.000 1.445 782 I CB -0.265 37.758 38.000 0.039 0.000 1.075 782 I HN 0.621 nan 8.210 nan 0.000 0.482 783 G N 0.947 109.750 108.800 0.004 0.000 2.611 783 G HA2 -0.440 3.520 3.960 -0.001 0.000 0.301 783 G HA3 -0.440 3.520 3.960 -0.001 0.000 0.301 783 G C 0.570 175.481 174.900 0.018 0.000 1.233 783 G CA 0.492 45.597 45.100 0.008 0.000 0.993 783 G HN 0.703 nan 8.290 nan 0.000 0.553 784 S N -0.117 115.594 115.700 0.018 0.000 2.573 784 S HA 0.541 5.010 4.470 -0.001 0.000 0.244 784 S C 0.766 175.380 174.600 0.024 0.000 0.984 784 S CA -0.028 58.186 58.200 0.023 0.000 1.001 784 S CB 0.019 63.234 63.200 0.025 0.000 0.788 784 S HN 0.674 nan 8.310 nan 0.000 0.456 785 L N 2.993 124.229 121.223 0.022 0.000 2.505 785 L HA 0.265 4.605 4.340 -0.001 0.000 0.279 785 L C -0.298 176.593 176.870 0.035 0.000 1.211 785 L CA -0.256 54.599 54.840 0.025 0.000 1.059 785 L CB -0.535 41.538 42.059 0.023 0.000 1.340 785 L HN 0.201 nan 8.230 nan 0.000 0.447 786 D N 2.436 122.856 120.400 0.033 0.000 2.357 786 D HA 0.045 4.685 4.640 -0.001 0.000 0.242 786 D C 0.687 177.013 176.300 0.043 0.000 1.153 786 D CA -0.044 53.979 54.000 0.038 0.000 0.918 786 D CB 0.400 41.220 40.800 0.033 0.000 1.181 786 D HN 0.272 nan 8.370 nan 0.000 0.435 787 N N 0.091 118.820 118.700 0.048 0.000 2.714 787 N HA -0.173 4.566 4.740 -0.001 0.000 0.252 787 N C -1.010 174.542 175.510 0.071 0.000 1.014 787 N CA 0.850 53.933 53.050 0.055 0.000 0.735 787 N CB -1.078 37.434 38.487 0.042 0.000 0.924 787 N HN 0.271 nan 8.380 nan 0.000 0.540 788 T N 0.404 115.005 114.554 0.078 0.000 2.916 788 T HA 0.407 4.756 4.350 -0.001 0.000 0.298 788 T C -0.306 174.461 174.700 0.112 0.000 1.031 788 T CA -0.735 61.422 62.100 0.095 0.000 0.993 788 T CB 2.234 71.144 68.868 0.071 0.000 1.045 788 T HN 0.028 nan 8.240 nan 0.000 0.454 789 E N 2.588 122.883 120.200 0.159 0.000 2.191 789 E HA 0.439 4.789 4.350 -0.001 0.000 0.263 789 E C -0.700 176.018 176.600 0.198 0.000 0.881 789 E CA -0.626 55.867 56.400 0.155 0.000 0.757 789 E CB 2.223 31.990 29.700 0.112 0.000 1.147 789 E HN 0.499 nan 8.360 nan 0.000 0.414 790 I N 2.923 123.593 120.570 0.168 0.000 2.315 790 I HA 0.226 4.396 4.170 -0.001 0.000 0.291 790 I C -0.158 176.099 176.117 0.233 0.000 1.006 790 I CA -0.788 60.625 61.300 0.188 0.000 1.265 790 I CB 1.321 39.420 38.000 0.165 0.000 1.387 790 I HN 0.205 nan 8.210 nan 0.000 0.475 791 V N 8.084 128.136 119.914 0.230 0.000 2.628 791 V HA 0.495 4.615 4.120 -0.001 0.000 0.306 791 V C -0.400 175.743 176.094 0.081 0.000 1.045 791 V CA -0.740 61.685 62.300 0.208 0.000 0.905 791 V CB 2.049 34.049 31.823 0.295 0.000 0.997 791 V HN 0.759 nan 8.190 nan 0.000 0.436 792 M N 7.165 126.738 119.600 -0.045 0.000 2.129 792 M HA 0.564 5.043 4.480 -0.001 0.000 0.348 792 M C -0.556 175.613 176.300 -0.218 0.000 1.116 792 M CA -0.418 54.629 55.300 -0.422 0.000 1.022 792 M CB 0.609 32.922 32.600 -0.478 0.000 1.599 792 M HN 0.765 nan 8.290 nan 0.000 0.449 793 R N 4.666 125.035 120.500 -0.218 0.000 2.711 793 R HA 0.707 5.047 4.340 -0.001 0.000 0.284 793 R C -1.984 174.276 176.300 -0.066 0.000 0.968 793 R CA -0.645 55.397 56.100 -0.096 0.000 0.924 793 R CB 1.544 31.798 30.300 -0.076 0.000 1.162 793 R HN 0.815 nan 8.270 nan 0.000 0.465 794 L N 3.142 124.301 121.223 -0.106 0.000 2.313 794 L HA 0.430 4.770 4.340 -0.001 0.000 0.283 794 L C -0.539 176.246 176.870 -0.142 0.000 1.013 794 L CA -0.432 54.281 54.840 -0.212 0.000 0.816 794 L CB 1.959 43.835 42.059 -0.306 0.000 1.236 794 L HN 0.618 nan 8.230 nan 0.000 0.419 795 E N 2.086 122.214 120.200 -0.120 0.000 2.158 795 E HA 0.535 4.884 4.350 -0.001 0.000 0.271 795 E C -0.638 175.908 176.600 -0.090 0.000 0.911 795 E CA -0.480 55.869 56.400 -0.085 0.000 0.767 795 E CB 2.221 31.871 29.700 -0.084 0.000 1.120 795 E HN 0.616 nan 8.360 nan 0.000 0.405 796 T N -1.254 113.255 114.554 -0.075 0.000 2.804 796 T HA 0.312 4.662 4.350 -0.001 0.000 0.290 796 T C 0.118 174.826 174.700 0.014 0.000 1.099 796 T CA -0.705 61.337 62.100 -0.097 0.000 1.011 796 T CB 1.052 69.878 68.868 -0.070 0.000 1.291 796 T HN 0.580 nan 8.240 nan 0.000 0.523 797 H N -0.611 118.454 119.070 -0.008 0.000 2.517 797 H HA 0.408 4.963 4.556 -0.001 0.000 0.282 797 H C 0.144 175.472 175.328 0.000 0.000 1.023 797 H CA -0.512 55.533 56.048 -0.006 0.000 1.169 797 H CB 0.061 29.823 29.762 -0.000 0.000 1.454 797 H HN 0.315 nan 8.280 nan 0.000 0.556 798 I N 1.692 122.330 120.570 0.113 0.000 2.533 798 I HA -0.109 4.060 4.170 -0.001 0.000 0.284 798 I C 0.485 176.645 176.117 0.072 0.000 1.109 798 I CA 0.132 61.478 61.300 0.078 0.000 1.412 798 I CB 0.557 38.592 38.000 0.058 0.000 1.396 798 I HN 0.146 nan 8.210 nan 0.000 0.543 799 D N 4.556 124.994 120.400 0.063 0.000 2.801 799 D HA 0.017 4.657 4.640 -0.001 0.000 0.232 799 D C 1.305 177.642 176.300 0.062 0.000 1.128 799 D CA 0.020 54.051 54.000 0.051 0.000 1.003 799 D CB 0.325 41.148 40.800 0.038 0.000 1.110 799 D HN 0.555 nan 8.370 nan 0.000 0.477 800 S N 0.099 115.842 115.700 0.072 0.000 2.470 800 S HA 0.225 4.694 4.470 -0.001 0.000 0.225 800 S C 1.604 176.251 174.600 0.079 0.000 1.006 800 S CA 0.346 58.602 58.200 0.093 0.000 0.934 800 S CB -0.173 63.093 63.200 0.111 0.000 0.778 800 S HN 0.518 nan 8.310 nan 0.000 0.517 801 G N 3.120 111.956 108.800 0.060 0.000 2.543 801 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.286 801 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.286 801 G C 0.126 175.064 174.900 0.062 0.000 1.153 801 G CA 0.543 45.674 45.100 0.052 0.000 0.968 801 G HN 0.762 nan 8.290 nan 0.000 0.544 802 D N 0.226 120.667 120.400 0.068 0.000 2.440 802 D HA 0.346 4.985 4.640 -0.001 0.000 0.216 802 D C 0.740 177.118 176.300 0.130 0.000 1.150 802 D CA -0.197 53.861 54.000 0.096 0.000 0.832 802 D CB 0.281 41.124 40.800 0.072 0.000 0.992 802 D HN 0.461 nan 8.370 nan 0.000 0.502 803 I N 1.411 122.038 120.570 0.095 0.000 2.437 803 I HA 0.498 4.668 4.170 -0.001 0.000 0.298 803 I C -0.205 175.987 176.117 0.125 0.000 0.984 803 I CA -1.015 60.286 61.300 0.001 0.000 1.214 803 I CB 0.706 38.670 38.000 -0.059 0.000 1.365 803 I HN -0.038 nan 8.210 nan 0.000 0.469 804 F N 4.205 123.958 119.950 -0.329 0.000 2.745 804 F HA 0.676 5.203 4.527 -0.001 0.000 0.316 804 F C -2.037 173.382 175.800 -0.634 0.000 1.155 804 F CA -1.458 56.371 58.000 -0.285 0.000 0.937 804 F CB 1.143 40.054 39.000 -0.148 0.000 1.361 804 F HN 0.186 nan 8.300 nan 0.000 0.472 805 Y N 0.022 120.106 120.300 -0.360 0.000 2.425 805 Y HA 0.680 5.229 4.550 -0.001 0.000 0.344 805 Y C 0.046 175.783 175.900 -0.271 0.000 0.969 805 Y CA -0.653 57.097 58.100 -0.583 0.000 1.052 805 Y CB 2.449 40.143 38.460 -1.277 0.000 1.215 805 Y HN 0.898 nan 8.280 nan 0.000 0.451 806 T N -1.392 113.091 114.554 -0.118 0.000 2.906 806 T HA 0.487 4.837 4.350 -0.001 0.000 0.295 806 T C -1.070 173.446 174.700 -0.307 0.000 1.075 806 T CA -1.067 60.983 62.100 -0.085 0.000 1.005 806 T CB 2.016 70.810 68.868 -0.124 0.000 1.136 806 T HN 0.582 nan 8.240 nan 0.000 0.498 807 D N 1.036 121.104 120.400 -0.554 0.000 2.340 807 D HA 0.378 5.017 4.640 -0.001 0.000 0.251 807 D C -0.602 175.429 176.300 -0.448 0.000 1.080 807 D CA -0.815 52.665 54.000 -0.867 0.000 0.971 807 D CB 1.244 41.276 40.800 -1.281 0.000 1.137 807 D HN 0.560 nan 8.370 nan 0.000 0.475 808 L N 0.855 121.854 121.223 -0.375 0.000 2.316 808 L HA 0.225 4.564 4.340 -0.001 0.000 0.280 808 L C -0.100 176.643 176.870 -0.211 0.000 1.006 808 L CA -0.787 53.924 54.840 -0.215 0.000 0.836 808 L CB 0.487 42.484 42.059 -0.103 0.000 1.221 808 L HN 0.457 nan 8.230 nan 0.000 0.418 809 N N 2.201 120.785 118.700 -0.194 0.000 2.714 809 N HA -0.234 4.506 4.740 -0.001 0.000 0.250 809 N C 0.979 176.280 175.510 -0.348 0.000 1.117 809 N CA 0.897 53.834 53.050 -0.190 0.000 0.719 809 N CB -0.993 37.459 38.487 -0.058 0.000 1.081 809 N HN 1.088 nan 8.380 nan 0.000 0.557 810 G N -1.693 106.903 108.800 -0.340 0.000 2.168 810 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.263 810 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.263 810 G C 0.623 175.495 174.900 -0.046 0.000 0.977 810 G CA 0.649 45.571 45.100 -0.298 0.000 0.659 810 G HN 0.474 nan 8.290 nan 0.000 0.533 811 L N -0.206 120.924 121.223 -0.154 0.000 2.467 811 L HA 0.505 4.844 4.340 -0.001 0.000 0.213 811 L C 0.988 177.730 176.870 -0.214 0.000 1.053 811 L CA 1.948 56.605 54.840 -0.304 0.000 0.847 811 L CB 0.147 41.861 42.059 -0.575 0.000 1.075 811 L HN 0.699 nan 8.230 nan 0.000 0.479 812 Q N -1.751 117.926 119.800 -0.204 0.000 2.435 812 Q HA 0.359 4.698 4.340 -0.001 0.000 0.282 812 Q C -1.697 174.177 176.000 -0.211 0.000 1.020 812 Q CA -0.743 55.002 55.803 -0.098 0.000 0.820 812 Q CB 1.178 29.911 28.738 -0.008 0.000 1.436 812 Q HN -0.038 nan 8.270 nan 0.000 0.395 813 F N 1.347 121.246 119.950 -0.085 0.000 2.436 813 F HA 0.593 5.120 4.527 -0.001 0.000 0.340 813 F C -0.186 175.571 175.800 -0.071 0.000 1.113 813 F CA -0.834 57.129 58.000 -0.061 0.000 1.022 813 F CB 1.671 40.677 39.000 0.009 0.000 1.128 813 F HN 0.536 nan 8.300 nan 0.000 0.466 814 I N 3.833 124.403 120.570 0.000 0.000 2.474 814 I HA 0.329 4.499 4.170 -0.001 0.000 0.294 814 I C -0.472 175.519 176.117 -0.209 0.000 1.005 814 I CA -0.872 60.384 61.300 -0.074 0.000 1.113 814 I CB 1.275 39.183 38.000 -0.154 0.000 1.289 814 I HN 0.495 nan 8.210 nan 0.000 0.436 815 K N 6.634 126.874 120.400 -0.266 0.000 2.368 815 K HA 0.253 4.572 4.320 -0.001 0.000 0.282 815 K C -0.836 175.322 176.600 -0.737 0.000 1.035 815 K CA -0.372 55.483 56.287 -0.721 0.000 0.973 815 K CB 0.510 32.727 32.500 -0.471 0.000 0.957 815 K HN 0.496 nan 8.250 nan 0.000 0.474 816 R N 3.199 123.074 120.500 -1.043 0.000 2.664 816 R HA 0.348 4.688 4.340 -0.001 0.000 0.286 816 R C -0.479 175.333 176.300 -0.815 0.000 0.967 816 R CA -0.769 54.648 56.100 -1.138 0.000 0.933 816 R CB 1.493 30.561 30.300 -2.053 0.000 1.146 816 R HN 0.661 nan 8.270 nan 0.000 0.468 817 R N 1.495 121.725 120.500 -0.450 0.000 2.476 817 R HA 0.291 4.631 4.340 -0.001 0.000 0.305 817 R C -0.474 175.868 176.300 0.070 0.000 0.965 817 R CA -0.663 55.349 56.100 -0.146 0.000 0.867 817 R CB 1.477 31.731 30.300 -0.077 0.000 1.176 817 R HN 0.526 nan 8.270 nan 0.000 0.447 818 R N 5.007 125.653 120.500 0.245 0.000 2.522 818 R HA 0.116 4.456 4.340 -0.001 0.000 0.284 818 R C -0.954 175.430 176.300 0.140 0.000 1.032 818 R CA 0.231 56.503 56.100 0.285 0.000 1.049 818 R CB 0.386 30.839 30.300 0.255 0.000 0.956 818 R HN 0.542 nan 8.270 nan 0.000 0.422 819 L N 4.891 126.175 121.223 0.102 0.000 2.319 819 L HA 0.218 4.558 4.340 -0.001 0.000 0.281 819 L C 0.219 177.087 176.870 -0.002 0.000 1.005 819 L CA -0.684 54.177 54.840 0.036 0.000 0.828 819 L CB 1.986 44.042 42.059 -0.005 0.000 1.227 819 L HN 0.650 nan 8.230 nan 0.000 0.415 820 D N 1.535 121.939 120.400 0.007 0.000 2.347 820 D HA -0.104 4.536 4.640 -0.001 0.000 0.215 820 D C 1.695 177.983 176.300 -0.020 0.000 0.976 820 D CA 0.740 54.738 54.000 -0.002 0.000 0.884 820 D CB 0.368 41.175 40.800 0.010 0.000 0.915 820 D HN 0.544 nan 8.370 nan 0.000 0.526 821 K N 0.218 120.600 120.400 -0.029 0.000 2.504 821 K HA 0.003 4.323 4.320 -0.001 0.000 0.195 821 K C 0.621 177.166 176.600 -0.092 0.000 1.036 821 K CA 0.383 56.650 56.287 -0.033 0.000 0.984 821 K CB 0.284 32.784 32.500 -0.001 0.000 0.788 821 K HN 0.105 nan 8.250 nan 0.000 0.488 822 L N 2.414 123.544 121.223 -0.154 0.000 2.334 822 L HA 0.457 4.797 4.340 -0.001 0.000 0.273 822 L C -2.224 174.546 176.870 -0.168 0.000 1.013 822 L CA -2.865 51.838 54.840 -0.229 0.000 0.816 822 L CB 1.478 43.310 42.059 -0.379 0.000 1.278 822 L HN -0.036 nan 8.230 nan 0.000 0.431 823 P HA 0.053 nan 4.420 nan 0.000 0.274 823 P C 0.836 178.016 177.300 -0.201 0.000 1.256 823 P CA -0.470 62.539 63.100 -0.151 0.000 0.795 823 P CB 1.371 33.008 31.700 -0.105 0.000 1.038 824 L N 0.807 121.940 121.223 -0.151 0.000 2.021 824 L HA -0.271 4.068 4.340 -0.001 0.000 0.215 824 L C 2.510 179.292 176.870 -0.146 0.000 1.074 824 L CA 1.930 56.706 54.840 -0.108 0.000 0.760 824 L CB -0.658 41.331 42.059 -0.116 0.000 0.889 824 L HN 0.431 nan 8.230 nan 0.000 0.433 825 Q N -0.396 119.202 119.800 -0.336 0.000 2.364 825 Q HA -0.149 4.191 4.340 -0.001 0.000 0.207 825 Q C 1.815 177.699 176.000 -0.194 0.000 0.970 825 Q CA 1.419 57.047 55.803 -0.293 0.000 0.888 825 Q CB -0.444 28.036 28.738 -0.430 0.000 0.951 825 Q HN 0.603 nan 8.270 nan 0.000 0.469 826 A N 1.337 123.840 122.820 -0.529 0.000 2.119 826 A HA -0.010 4.309 4.320 -0.001 0.000 0.216 826 A C 1.566 178.956 177.584 -0.323 0.000 1.152 826 A CA 0.570 52.134 52.037 -0.789 0.000 0.708 826 A CB -0.117 18.042 19.000 -1.402 0.000 0.805 826 A HN 0.322 nan 8.150 nan 0.000 0.460 827 N N -1.070 117.562 118.700 -0.114 0.000 2.322 827 N HA 0.072 4.812 4.740 -0.001 0.000 0.194 827 N C -0.924 174.690 175.510 0.173 0.000 1.126 827 N CA 0.165 53.268 53.050 0.089 0.000 0.845 827 N CB 0.089 38.677 38.487 0.169 0.000 0.976 827 N HN 0.447 nan 8.380 nan 0.000 0.475 828 Y N 0.279 120.536 120.300 -0.072 0.000 2.304 828 Y HA 0.206 4.755 4.550 -0.001 0.000 0.328 828 Y C -0.178 175.664 175.900 -0.097 0.000 1.123 828 Y CA -0.114 58.028 58.100 0.069 0.000 1.218 828 Y CB 0.404 38.976 38.460 0.187 0.000 1.207 828 Y HN -0.058 nan 8.280 nan 0.000 0.495 829 Y N 3.290 123.742 120.300 0.252 0.000 2.605 829 Y HA 0.458 5.008 4.550 -0.001 0.000 0.343 829 Y C -2.292 173.337 175.900 -0.452 0.000 1.036 829 Y CA -2.932 55.169 58.100 0.001 0.000 1.065 829 Y CB 1.457 39.898 38.460 -0.032 0.000 1.288 829 Y HN 0.446 nan 8.280 nan 0.000 0.481 830 P HA 0.125 nan 4.420 nan 0.000 0.271 830 P C -0.650 176.413 177.300 -0.395 0.000 1.216 830 P CA 0.224 62.742 63.100 -0.969 0.000 0.776 830 P CB 0.567 31.590 31.700 -1.129 0.000 0.881 831 I N 4.693 125.114 120.570 -0.248 0.000 2.697 831 I HA 0.173 4.342 4.170 -0.001 0.000 0.279 831 I C -1.764 174.288 176.117 -0.109 0.000 1.171 831 I CA -2.433 58.794 61.300 -0.122 0.000 1.135 831 I CB 0.757 38.744 38.000 -0.023 0.000 1.445 831 I HN 0.194 nan 8.210 nan 0.000 0.541 832 P HA -0.043 nan 4.420 nan 0.000 0.222 832 P C 1.073 178.346 177.300 -0.046 0.000 1.153 832 P CA 1.166 64.196 63.100 -0.117 0.000 0.798 832 P CB 0.584 32.183 31.700 -0.168 0.000 0.796 833 S N -3.414 112.263 115.700 -0.038 0.000 2.615 833 S HA 0.478 4.947 4.470 -0.001 0.000 0.277 833 S C 0.571 175.264 174.600 0.153 0.000 1.068 833 S CA 0.325 58.560 58.200 0.059 0.000 1.315 833 S CB 0.355 63.611 63.200 0.094 0.000 1.193 833 S HN 0.315 nan 8.310 nan 0.000 0.656 834 G N 1.535 110.430 108.800 0.158 0.000 2.368 834 G HA2 0.542 4.502 3.960 -0.001 0.000 0.293 834 G HA3 0.542 4.502 3.960 -0.001 0.000 0.293 834 G C -1.475 173.678 174.900 0.422 0.000 1.467 834 G CA -0.445 44.869 45.100 0.357 0.000 0.804 834 G HN 0.858 nan 8.290 nan 0.000 0.535 835 M N -0.634 119.229 119.600 0.438 0.000 2.578 835 M HA 0.900 5.379 4.480 -0.001 0.000 0.276 835 M C -1.669 174.874 176.300 0.404 0.000 1.245 835 M CA -1.028 54.495 55.300 0.372 0.000 0.871 835 M CB 2.537 35.264 32.600 0.213 0.000 1.722 835 M HN 1.181 nan 8.290 nan 0.000 0.473 836 F N 0.672 120.772 119.950 0.250 0.000 2.686 836 F HA 0.905 5.432 4.527 -0.001 0.000 0.311 836 F C -1.721 174.219 175.800 0.234 0.000 1.128 836 F CA -1.208 56.879 58.000 0.144 0.000 0.946 836 F CB 1.098 40.099 39.000 0.001 0.000 1.336 836 F HN 0.784 nan 8.300 nan 0.000 0.457 837 I N -0.291 120.517 120.570 0.396 0.000 2.785 837 I HA 0.890 5.059 4.170 -0.001 0.000 0.302 837 I C -1.394 174.913 176.117 0.318 0.000 1.069 837 I CA -0.911 60.587 61.300 0.329 0.000 1.045 837 I CB 2.433 40.541 38.000 0.180 0.000 1.236 837 I HN 0.953 nan 8.210 nan 0.000 0.429 838 E N 1.912 122.283 120.200 0.284 0.000 2.407 838 E HA 0.539 4.889 4.350 -0.001 0.000 0.279 838 E C -2.070 174.617 176.600 0.146 0.000 1.012 838 E CA -0.819 55.694 56.400 0.188 0.000 0.800 838 E CB 2.307 32.113 29.700 0.177 0.000 1.276 838 E HN 0.746 nan 8.360 nan 0.000 0.452 839 D N 0.623 121.078 120.400 0.091 0.000 2.784 839 D HA 0.447 5.087 4.640 -0.001 0.000 0.256 839 D C 0.893 177.224 176.300 0.053 0.000 1.129 839 D CA -0.143 53.902 54.000 0.075 0.000 1.102 839 D CB 0.055 40.891 40.800 0.060 0.000 1.330 839 D HN 0.448 nan 8.370 nan 0.000 0.626 840 A N -0.715 122.129 122.820 0.040 0.000 2.024 840 A HA -0.161 4.159 4.320 -0.001 0.000 0.220 840 A C 1.529 179.119 177.584 0.011 0.000 1.164 840 A CA 1.592 53.645 52.037 0.025 0.000 0.643 840 A CB -0.718 18.294 19.000 0.021 0.000 0.806 840 A HN 0.510 nan 8.150 nan 0.000 0.451 841 N N -1.817 116.889 118.700 0.011 0.000 2.397 841 N HA 0.075 4.814 4.740 -0.001 0.000 0.190 841 N C -0.434 175.070 175.510 -0.010 0.000 1.099 841 N CA 0.759 53.808 53.050 -0.001 0.000 0.876 841 N CB 0.652 39.140 38.487 0.002 0.000 1.143 841 N HN 0.302 nan 8.380 nan 0.000 0.468 842 T N 0.566 115.119 114.554 -0.001 0.000 2.893 842 T HA 0.453 4.803 4.350 -0.001 0.000 0.293 842 T C -0.571 174.126 174.700 -0.005 0.000 1.027 842 T CA -0.648 61.446 62.100 -0.010 0.000 0.988 842 T CB 2.836 71.705 68.868 0.002 0.000 1.043 842 T HN -0.040 nan 8.240 nan 0.000 0.461 843 R N 1.990 122.469 120.500 -0.034 0.000 2.686 843 R HA 0.738 5.077 4.340 -0.001 0.000 0.286 843 R C -1.920 174.360 176.300 -0.034 0.000 0.969 843 R CA -0.904 55.177 56.100 -0.032 0.000 0.898 843 R CB 1.254 31.469 30.300 -0.140 0.000 1.183 843 R HN 0.456 nan 8.270 nan 0.000 0.456 844 L N 2.632 123.865 121.223 0.017 0.000 2.349 844 L HA 0.499 4.838 4.340 -0.001 0.000 0.278 844 L C -1.322 175.590 176.870 0.069 0.000 0.996 844 L CA 0.077 54.921 54.840 0.006 0.000 0.825 844 L CB 2.286 44.338 42.059 -0.013 0.000 1.243 844 L HN 0.648 nan 8.230 nan 0.000 0.412 845 T N 5.697 120.269 114.554 0.030 0.000 2.792 845 T HA 0.545 4.894 4.350 -0.001 0.000 0.280 845 T C -1.051 173.711 174.700 0.103 0.000 0.990 845 T CA -0.269 61.884 62.100 0.089 0.000 0.960 845 T CB 1.371 70.216 68.868 -0.038 0.000 0.939 845 T HN 0.434 nan 8.240 nan 0.000 0.439 846 L N 5.290 126.612 121.223 0.165 0.000 2.294 846 L HA 0.519 4.858 4.340 -0.001 0.000 0.283 846 L C -1.210 175.807 176.870 0.244 0.000 1.015 846 L CA -0.713 54.237 54.840 0.183 0.000 0.831 846 L CB 0.448 42.596 42.059 0.150 0.000 1.217 846 L HN 0.417 nan 8.230 nan 0.000 0.420 847 L N 3.801 125.167 121.223 0.239 0.000 2.343 847 L HA 0.634 4.973 4.340 -0.001 0.000 0.275 847 L C 0.565 177.586 176.870 0.251 0.000 1.056 847 L CA -0.232 54.747 54.840 0.232 0.000 0.804 847 L CB 1.391 43.550 42.059 0.168 0.000 1.203 847 L HN 0.757 nan 8.230 nan 0.000 0.440 848 T N -2.446 112.208 114.554 0.166 0.000 2.908 848 T HA 0.602 4.951 4.350 -0.001 0.000 0.290 848 T C 0.676 175.340 174.700 -0.061 0.000 1.034 848 T CA -0.324 61.792 62.100 0.027 0.000 1.010 848 T CB 1.922 70.812 68.868 0.036 0.000 1.068 848 T HN 0.677 nan 8.240 nan 0.000 0.481 849 G N 1.243 109.930 108.800 -0.189 0.000 3.284 849 G HA2 0.414 4.374 3.960 -0.001 0.000 0.236 849 G HA3 0.414 4.374 3.960 -0.001 0.000 0.236 849 G C 0.170 175.000 174.900 -0.116 0.000 1.158 849 G CA -0.305 44.712 45.100 -0.138 0.000 0.774 849 G HN 0.960 nan 8.290 nan 0.000 0.545 850 Q N -0.216 119.514 119.800 -0.115 0.000 2.479 850 Q HA 0.286 4.625 4.340 -0.001 0.000 0.276 850 Q C -3.539 172.425 176.000 -0.060 0.000 0.989 850 Q CA -2.254 53.507 55.803 -0.070 0.000 0.864 850 Q CB 1.790 30.503 28.738 -0.043 0.000 1.444 850 Q HN -0.003 nan 8.270 nan 0.000 0.388 851 P HA 0.441 nan 4.420 nan 0.000 0.276 851 P C -0.679 176.612 177.300 -0.015 0.000 1.235 851 P CA -0.127 62.959 63.100 -0.023 0.000 0.772 851 P CB 0.986 32.679 31.700 -0.012 0.000 0.871 852 L N 1.601 122.811 121.223 -0.022 0.000 2.397 852 L HA 0.691 5.031 4.340 -0.001 0.000 0.251 852 L C 0.751 177.647 176.870 0.043 0.000 1.064 852 L CA -1.137 53.713 54.840 0.018 0.000 0.859 852 L CB 2.031 44.085 42.059 -0.008 0.000 1.468 852 L HN 0.342 nan 8.230 nan 0.000 0.411 853 G N -1.054 107.830 108.800 0.141 0.000 2.425 853 G HA2 0.689 4.648 3.960 -0.001 0.000 0.302 853 G HA3 0.689 4.648 3.960 -0.001 0.000 0.302 853 G C -0.560 174.391 174.900 0.084 0.000 1.159 853 G CA 0.053 45.298 45.100 0.242 0.000 0.865 853 G HN 0.869 nan 8.290 nan 0.000 0.515 854 G N -1.422 107.238 108.800 -0.234 0.000 2.550 854 G HA2 0.679 4.639 3.960 -0.001 0.000 0.293 854 G HA3 0.679 4.639 3.960 -0.001 0.000 0.293 854 G C -1.208 173.231 174.900 -0.767 0.000 1.402 854 G CA 0.422 45.164 45.100 -0.597 0.000 0.784 854 G HN 1.297 nan 8.290 nan 0.000 0.482 855 S N -1.900 113.410 115.700 -0.651 0.000 2.655 855 S HA 0.709 5.179 4.470 -0.001 0.000 0.266 855 S C -1.534 172.606 174.600 -0.766 0.000 1.149 855 S CA 0.326 58.146 58.200 -0.633 0.000 0.818 855 S CB 1.321 64.209 63.200 -0.521 0.000 1.130 855 S HN 1.550 nan 8.310 nan 0.000 0.476 856 S N 1.724 116.657 115.700 -1.279 0.000 2.718 856 S HA 0.495 4.964 4.470 -0.001 0.000 0.294 856 S C 0.214 174.558 174.600 -0.428 0.000 1.157 856 S CA -0.649 57.087 58.200 -0.774 0.000 1.121 856 S CB -0.052 62.657 63.200 -0.819 0.000 1.015 856 S HN 0.579 nan 8.310 nan 0.000 0.479 857 L N 3.213 124.325 121.223 -0.185 0.000 2.558 857 L HA 0.483 4.823 4.340 -0.001 0.000 0.225 857 L C 0.866 177.723 176.870 -0.023 0.000 1.128 857 L CA 0.228 55.039 54.840 -0.048 0.000 0.868 857 L CB 0.029 42.121 42.059 0.055 0.000 1.006 857 L HN 0.699 nan 8.230 nan 0.000 0.454 858 A N -1.233 121.560 122.820 -0.045 0.000 2.594 858 A HA 0.459 4.779 4.320 -0.001 0.000 0.295 858 A C -0.402 177.172 177.584 -0.017 0.000 1.071 858 A CA -0.436 51.592 52.037 -0.015 0.000 0.685 858 A CB 1.239 20.235 19.000 -0.007 0.000 1.285 858 A HN -0.142 nan 8.150 nan 0.000 0.405 859 S N -0.134 115.570 115.700 0.007 0.000 2.593 859 S HA 0.378 4.847 4.470 -0.001 0.000 0.300 859 S C 1.542 176.152 174.600 0.017 0.000 1.267 859 S CA 2.043 60.255 58.200 0.020 0.000 1.065 859 S CB -0.142 63.074 63.200 0.026 0.000 0.807 859 S HN 2.646 nan 8.310 nan 0.000 0.499 860 G N 3.471 112.285 108.800 0.024 0.000 2.176 860 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.253 860 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.253 860 G C -0.165 174.727 174.900 -0.013 0.000 0.979 860 G CA 0.438 45.552 45.100 0.023 0.000 0.641 860 G HN 0.711 nan 8.290 nan 0.000 0.530 861 E N -0.455 119.722 120.200 -0.039 0.000 2.212 861 E HA 0.764 5.113 4.350 -0.001 0.000 0.270 861 E C -0.222 176.315 176.600 -0.105 0.000 0.956 861 E CA -0.748 55.609 56.400 -0.071 0.000 0.825 861 E CB 1.815 31.471 29.700 -0.073 0.000 1.167 861 E HN 0.246 nan 8.360 nan 0.000 0.400 862 L N 1.700 122.859 121.223 -0.106 0.000 2.370 862 L HA 0.498 4.838 4.340 -0.001 0.000 0.266 862 L C -0.541 176.264 176.870 -0.108 0.000 1.002 862 L CA -0.638 54.130 54.840 -0.121 0.000 0.818 862 L CB 1.974 43.994 42.059 -0.064 0.000 1.325 862 L HN 0.661 nan 8.230 nan 0.000 0.418 863 E N 2.604 122.729 120.200 -0.124 0.000 2.390 863 E HA 0.713 5.062 4.350 -0.001 0.000 0.277 863 E C -1.535 175.022 176.600 -0.071 0.000 0.939 863 E CA -0.859 55.502 56.400 -0.064 0.000 0.769 863 E CB 3.295 33.001 29.700 0.010 0.000 1.251 863 E HN 0.527 nan 8.360 nan 0.000 0.450 864 I N 1.972 122.542 120.570 -0.000 0.000 2.610 864 I HA 0.324 4.494 4.170 -0.001 0.000 0.289 864 I C -1.448 174.743 176.117 0.123 0.000 1.163 864 I CA -1.086 60.235 61.300 0.036 0.000 1.044 864 I CB 1.932 39.953 38.000 0.035 0.000 1.251 864 I HN 0.786 nan 8.210 nan 0.000 0.424 865 M N 6.316 126.027 119.600 0.185 0.000 2.228 865 M HA 0.217 4.697 4.480 -0.001 0.000 0.351 865 M C 0.609 177.013 176.300 0.174 0.000 1.233 865 M CA 0.640 56.052 55.300 0.187 0.000 1.129 865 M CB 0.905 33.583 32.600 0.130 0.000 1.604 865 M HN 0.584 nan 8.290 nan 0.000 0.457 866 Q N 1.437 121.374 119.800 0.229 0.000 2.304 866 Q HA 0.247 4.587 4.340 -0.001 0.000 0.204 866 Q C -0.242 175.972 176.000 0.356 0.000 0.936 866 Q CA 0.807 56.814 55.803 0.340 0.000 0.878 866 Q CB 0.377 29.347 28.738 0.387 0.000 0.983 866 Q HN 0.760 nan 8.270 nan 0.000 0.516 867 D N -0.881 119.657 120.400 0.230 0.000 2.671 867 D HA 0.290 4.929 4.640 -0.001 0.000 0.273 867 D C -1.433 174.941 176.300 0.123 0.000 1.264 867 D CA -0.489 53.623 54.000 0.188 0.000 0.788 867 D CB 1.467 42.368 40.800 0.168 0.000 1.324 867 D HN 0.039 nan 8.370 nan 0.000 0.424 868 R N 0.824 121.386 120.500 0.103 0.000 2.584 868 R HA 0.674 5.014 4.340 -0.001 0.000 0.276 868 R C -1.104 175.242 176.300 0.078 0.000 1.046 868 R CA -1.047 55.097 56.100 0.072 0.000 0.906 868 R CB 2.084 32.397 30.300 0.023 0.000 1.215 868 R HN 0.321 nan 8.270 nan 0.000 0.449 869 R N 3.760 124.303 120.500 0.072 0.000 2.451 869 R HA 0.484 4.824 4.340 -0.001 0.000 0.307 869 R C -1.470 174.866 176.300 0.061 0.000 0.965 869 R CA -0.597 55.543 56.100 0.067 0.000 0.865 869 R CB 1.328 31.664 30.300 0.060 0.000 1.174 869 R HN 0.715 nan 8.270 nan 0.000 0.455 870 L N 4.015 125.273 121.223 0.059 0.000 2.406 870 L HA 0.503 4.843 4.340 -0.001 0.000 0.272 870 L C 0.750 177.649 176.870 0.048 0.000 0.980 870 L CA -0.570 54.303 54.840 0.054 0.000 0.831 870 L CB 2.143 44.236 42.059 0.055 0.000 1.253 870 L HN 0.815 nan 8.230 nan 0.000 0.406 871 A N 1.666 124.510 122.820 0.041 0.000 2.119 871 A HA 0.138 4.458 4.320 -0.001 0.000 0.216 871 A C 0.932 178.536 177.584 0.035 0.000 1.152 871 A CA 0.731 52.790 52.037 0.036 0.000 0.708 871 A CB -0.012 19.006 19.000 0.030 0.000 0.805 871 A HN 0.606 nan 8.150 nan 0.000 0.460 872 S N -0.441 115.280 115.700 0.035 0.000 2.621 872 S HA 0.426 4.896 4.470 -0.001 0.000 0.302 872 S C -0.754 173.870 174.600 0.041 0.000 1.093 872 S CA -0.679 57.541 58.200 0.032 0.000 1.017 872 S CB 1.519 64.734 63.200 0.024 0.000 1.077 872 S HN 0.460 nan 8.310 nan 0.000 0.517 873 D N 0.526 120.951 120.400 0.042 0.000 2.341 873 D HA 0.226 4.866 4.640 -0.001 0.000 0.245 873 D C -0.160 176.164 176.300 0.040 0.000 1.106 873 D CA -0.321 53.712 54.000 0.055 0.000 0.905 873 D CB 0.670 41.502 40.800 0.053 0.000 1.202 873 D HN 0.497 nan 8.370 nan 0.000 0.426 874 D N 2.067 122.496 120.400 0.049 0.000 2.525 874 D HA 0.068 4.707 4.640 -0.001 0.000 0.229 874 D C -0.362 175.905 176.300 -0.056 0.000 1.202 874 D CA -0.276 53.719 54.000 -0.007 0.000 0.828 874 D CB -0.425 40.362 40.800 -0.022 0.000 1.008 874 D HN 0.688 nan 8.370 nan 0.000 0.493 875 E N -0.325 119.866 120.200 -0.016 0.000 2.868 875 E HA -0.211 4.139 4.350 -0.001 0.000 0.278 875 E C 0.245 176.806 176.600 -0.066 0.000 1.009 875 E CA 0.226 56.613 56.400 -0.022 0.000 0.856 875 E CB -0.843 28.840 29.700 -0.028 0.000 1.428 875 E HN 0.201 nan 8.360 nan 0.000 0.423 876 R N -0.488 119.936 120.500 -0.127 0.000 2.546 876 R HA 0.233 4.572 4.340 -0.001 0.000 0.320 876 R C 1.334 177.661 176.300 0.045 0.000 1.021 876 R CA 0.658 56.590 56.100 -0.279 0.000 1.088 876 R CB 1.003 30.649 30.300 -1.090 0.000 1.278 876 R HN 0.408 nan 8.270 nan 0.000 0.557 877 G N 0.740 109.673 108.800 0.223 0.000 2.195 877 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.224 877 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.224 877 G C 0.722 175.810 174.900 0.313 0.000 0.990 877 G CA 0.219 45.559 45.100 0.399 0.000 0.639 877 G HN 0.300 nan 8.290 nan 0.000 0.514 878 L N 1.415 122.883 121.223 0.408 0.000 2.109 878 L HA 0.461 4.800 4.340 -0.001 0.000 0.207 878 L C 2.204 179.099 176.870 0.041 0.000 1.086 878 L CA 2.695 57.671 54.840 0.227 0.000 0.760 878 L CB -0.619 41.696 42.059 0.426 0.000 0.910 878 L HN 1.683 nan 8.230 nan 0.000 0.437 879 G N -0.335 108.513 108.800 0.080 0.000 2.176 879 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.252 879 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.252 879 G C 0.056 174.977 174.900 0.036 0.000 1.024 879 G CA 0.631 45.753 45.100 0.037 0.000 0.755 879 G HN 0.771 nan 8.290 nan 0.000 0.507 880 Q N -1.903 117.933 119.800 0.060 0.000 2.522 880 Q HA 0.683 5.023 4.340 -0.001 0.000 0.285 880 Q C 0.438 176.479 176.000 0.069 0.000 0.982 880 Q CA -0.644 55.192 55.803 0.055 0.000 0.805 880 Q CB 0.557 29.325 28.738 0.050 0.000 1.457 880 Q HN 0.915 nan 8.270 nan 0.000 0.394 881 G N 0.091 108.925 108.800 0.057 0.000 2.494 881 G HA2 0.474 4.433 3.960 -0.001 0.000 0.270 881 G HA3 0.474 4.433 3.960 -0.001 0.000 0.270 881 G C -0.851 174.087 174.900 0.064 0.000 1.423 881 G CA -0.590 44.545 45.100 0.059 0.000 1.055 881 G HN 0.418 nan 8.290 nan 0.000 0.536 882 V N 0.829 120.781 119.914 0.063 0.000 2.289 882 V HA 0.333 4.452 4.120 -0.001 0.000 0.272 882 V C 0.029 176.164 176.094 0.069 0.000 1.026 882 V CA -0.139 62.205 62.300 0.072 0.000 0.807 882 V CB 0.779 32.648 31.823 0.076 0.000 1.044 882 V HN 0.531 nan 8.190 nan 0.000 0.443 883 L N 3.117 124.379 121.223 0.066 0.000 3.267 883 L HA 0.346 4.685 4.340 -0.001 0.000 0.289 883 L C 0.537 177.442 176.870 0.057 0.000 1.260 883 L CA 0.013 54.886 54.840 0.057 0.000 1.034 883 L CB 0.689 42.776 42.059 0.046 0.000 1.413 883 L HN 0.643 nan 8.230 nan 0.000 0.594 884 D N -2.330 118.112 120.400 0.071 0.000 2.559 884 D HA 0.063 4.702 4.640 -0.001 0.000 0.234 884 D C 0.142 176.490 176.300 0.080 0.000 1.226 884 D CA -0.469 53.574 54.000 0.072 0.000 0.830 884 D CB -0.345 40.506 40.800 0.085 0.000 1.028 884 D HN 0.073 nan 8.370 nan 0.000 0.492 885 N N 1.732 120.477 118.700 0.076 0.000 2.345 885 N HA 0.101 4.840 4.740 -0.001 0.000 0.243 885 N C 0.181 175.706 175.510 0.027 0.000 1.246 885 N CA 0.389 53.484 53.050 0.074 0.000 0.863 885 N CB 0.628 39.155 38.487 0.066 0.000 1.096 885 N HN 0.314 nan 8.380 nan 0.000 0.446 886 K N -0.474 119.927 120.400 0.002 0.000 2.536 886 K HA 0.545 4.864 4.320 -0.001 0.000 0.269 886 K C -3.270 173.303 176.600 -0.044 0.000 0.965 886 K CA -2.027 54.217 56.287 -0.072 0.000 0.860 886 K CB 1.302 33.674 32.500 -0.214 0.000 1.423 886 K HN 0.124 nan 8.250 nan 0.000 0.438 887 P HA -0.021 nan 4.420 nan 0.000 0.264 887 P C -1.023 176.300 177.300 0.039 0.000 1.193 887 P CA -0.410 62.673 63.100 -0.027 0.000 0.763 887 P CB 0.737 32.410 31.700 -0.044 0.000 0.810 888 V N 5.342 125.248 119.914 -0.014 0.000 2.709 888 V HA 0.459 4.579 4.120 -0.001 0.000 0.308 888 V C -1.232 174.739 176.094 -0.205 0.000 1.062 888 V CA -1.104 61.170 62.300 -0.044 0.000 0.901 888 V CB 2.038 33.820 31.823 -0.070 0.000 1.003 888 V HN 0.278 nan 8.190 nan 0.000 0.425 889 L N 7.176 128.311 121.223 -0.147 0.000 2.270 889 L HA 0.582 4.921 4.340 -0.001 0.000 0.286 889 L C -0.332 176.515 176.870 -0.038 0.000 1.059 889 L CA 0.164 54.946 54.840 -0.097 0.000 0.839 889 L CB 0.275 42.299 42.059 -0.057 0.000 1.221 889 L HN 0.692 nan 8.230 nan 0.000 0.431 890 H N 5.705 124.790 119.070 0.026 0.000 2.582 890 H HA 0.483 5.039 4.556 -0.001 0.000 0.345 890 H C -0.101 175.112 175.328 -0.190 0.000 1.104 890 H CA -0.201 55.800 56.048 -0.078 0.000 1.390 890 H CB 1.222 31.008 29.762 0.040 0.000 1.461 890 H HN 0.695 nan 8.280 nan 0.000 0.551 891 I N 0.231 120.618 120.570 -0.304 0.000 2.689 891 I HA 0.601 4.771 4.170 -0.001 0.000 0.299 891 I C -1.440 174.315 176.117 -0.604 0.000 1.059 891 I CA -0.951 60.184 61.300 -0.274 0.000 1.055 891 I CB 2.132 40.069 38.000 -0.105 0.000 1.243 891 I HN 0.238 nan 8.210 nan 0.000 0.425 892 Y N 2.652 122.997 120.300 0.074 0.000 2.625 892 Y HA 0.694 5.243 4.550 -0.001 0.000 0.338 892 Y C -0.579 175.370 175.900 0.080 0.000 1.123 892 Y CA -1.077 57.074 58.100 0.085 0.000 1.046 892 Y CB 1.631 40.163 38.460 0.120 0.000 1.299 892 Y HN 0.419 nan 8.280 nan 0.000 0.464 893 R N 1.390 122.047 120.500 0.261 0.000 2.670 893 R HA 0.612 4.952 4.340 -0.001 0.000 0.289 893 R C -1.894 174.519 176.300 0.187 0.000 0.965 893 R CA -1.166 55.043 56.100 0.181 0.000 0.899 893 R CB 2.623 32.987 30.300 0.108 0.000 1.173 893 R HN 0.642 nan 8.270 nan 0.000 0.456 894 L N 2.340 123.653 121.223 0.151 0.000 2.316 894 L HA 0.424 4.764 4.340 -0.001 0.000 0.280 894 L C -1.219 175.679 176.870 0.047 0.000 1.006 894 L CA -0.567 54.339 54.840 0.109 0.000 0.836 894 L CB 1.812 43.951 42.059 0.132 0.000 1.221 894 L HN 0.308 nan 8.230 nan 0.000 0.418 895 V N 6.230 126.156 119.914 0.019 0.000 2.326 895 V HA 0.393 4.512 4.120 -0.001 0.000 0.281 895 V C -0.309 175.758 176.094 -0.044 0.000 1.015 895 V CA -0.589 61.701 62.300 -0.015 0.000 0.823 895 V CB 1.377 33.183 31.823 -0.028 0.000 1.009 895 V HN 0.631 nan 8.190 nan 0.000 0.436 896 L N 5.423 126.615 121.223 -0.051 0.000 2.275 896 L HA 0.650 4.990 4.340 -0.001 0.000 0.288 896 L C -0.082 176.748 176.870 -0.066 0.000 1.046 896 L CA 0.709 55.511 54.840 -0.063 0.000 0.805 896 L CB 0.952 42.969 42.059 -0.070 0.000 1.193 896 L HN 0.723 nan 8.230 nan 0.000 0.426 897 E N 3.438 123.593 120.200 -0.075 0.000 2.383 897 E HA 0.430 4.779 4.350 -0.001 0.000 0.275 897 E C -1.214 175.344 176.600 -0.071 0.000 0.918 897 E CA -1.223 55.130 56.400 -0.079 0.000 0.764 897 E CB 1.531 31.167 29.700 -0.107 0.000 1.252 897 E HN 0.230 nan 8.360 nan 0.000 0.449 898 K N 1.341 121.703 120.400 -0.063 0.000 2.276 898 K HA 0.186 4.506 4.320 -0.001 0.000 0.283 898 K C 0.360 176.922 176.600 -0.065 0.000 1.044 898 K CA -0.186 56.069 56.287 -0.054 0.000 0.944 898 K CB 1.078 33.550 32.500 -0.045 0.000 1.012 898 K HN 0.471 nan 8.250 nan 0.000 0.472 899 V N -0.443 119.435 119.914 -0.060 0.000 3.330 899 V HA 0.046 4.165 4.120 -0.001 0.000 0.309 899 V C 1.091 177.155 176.094 -0.051 0.000 1.481 899 V CA -0.294 61.962 62.300 -0.072 0.000 1.068 899 V CB -0.212 31.554 31.823 -0.096 0.000 0.935 899 V HN 0.623 nan 8.190 nan 0.000 0.453 900 N N 1.334 120.012 118.700 -0.037 0.000 2.364 900 N HA -0.162 4.577 4.740 -0.001 0.000 0.183 900 N C 0.992 176.484 175.510 -0.029 0.000 1.022 900 N CA 1.524 54.559 53.050 -0.026 0.000 0.883 900 N CB -0.480 37.996 38.487 -0.018 0.000 0.965 900 N HN 0.532 nan 8.380 nan 0.000 0.438 901 N N 0.088 118.766 118.700 -0.037 0.000 2.336 901 N HA 0.073 4.812 4.740 -0.001 0.000 0.189 901 N C -0.278 175.204 175.510 -0.047 0.000 1.113 901 N CA -0.099 52.928 53.050 -0.038 0.000 0.858 901 N CB 0.075 38.540 38.487 -0.038 0.000 0.970 901 N HN 0.223 nan 8.380 nan 0.000 0.471 902 c N 1.163 119.729 118.600 -0.056 0.000 2.536 902 c HA 0.283 4.853 4.570 -0.001 0.000 0.396 902 c C 1.020 175.074 174.090 -0.060 0.000 1.279 902 c CA -0.962 55.325 56.329 -0.070 0.000 2.148 902 c CB 0.872 43.327 42.510 -0.092 0.000 2.584 902 c HN 0.006 nan 8.230 nan 0.000 0.579 903 V N 5.280 125.154 119.914 -0.067 0.000 2.387 903 V HA 0.230 4.350 4.120 -0.001 0.000 0.260 903 V C 0.597 176.653 176.094 -0.064 0.000 1.054 903 V CA 0.299 62.563 62.300 -0.060 0.000 0.967 903 V CB -0.581 31.202 31.823 -0.066 0.000 1.036 903 V HN 0.796 nan 8.190 nan 0.000 0.481 904 R N 4.590 125.065 120.500 -0.042 0.000 2.758 904 R HA 0.548 4.887 4.340 -0.001 0.000 0.265 904 R C -2.469 173.822 176.300 -0.015 0.000 1.016 904 R CA -1.878 54.205 56.100 -0.027 0.000 1.040 904 R CB 1.076 31.367 30.300 -0.015 0.000 1.152 904 R HN 0.399 nan 8.270 nan 0.000 0.503 905 P HA -0.048 nan 4.420 nan 0.000 0.270 905 P C -0.354 176.983 177.300 0.062 0.000 1.223 905 P CA -0.171 62.909 63.100 -0.034 0.000 0.785 905 P CB 0.584 32.186 31.700 -0.163 0.000 0.923 906 S N 1.317 117.081 115.700 0.107 0.000 2.580 906 S HA 0.032 4.502 4.470 -0.001 0.000 0.266 906 S C 1.075 175.758 174.600 0.138 0.000 1.354 906 S CA 0.000 58.269 58.200 0.114 0.000 1.008 906 S CB 0.336 63.607 63.200 0.117 0.000 0.898 906 S HN 0.255 nan 8.310 nan 0.000 0.555 907 K N 0.952 121.414 120.400 0.103 0.000 2.211 907 K HA 0.033 4.352 4.320 -0.001 0.000 0.204 907 K C 1.485 178.142 176.600 0.095 0.000 1.047 907 K CA 1.520 57.864 56.287 0.095 0.000 0.935 907 K CB -0.516 32.023 32.500 0.066 0.000 0.728 907 K HN 0.576 nan 8.250 nan 0.000 0.452 908 L N 0.073 121.353 121.223 0.096 0.000 2.591 908 L HA 0.042 4.381 4.340 -0.001 0.000 0.228 908 L C 0.876 177.798 176.870 0.087 0.000 1.133 908 L CA -0.198 54.684 54.840 0.069 0.000 0.880 908 L CB -0.381 41.705 42.059 0.046 0.000 1.033 908 L HN 0.288 nan 8.230 nan 0.000 0.450 909 H N 2.790 121.898 119.070 0.064 0.000 2.722 909 H HA 0.119 4.675 4.556 -0.001 0.000 0.328 909 H C -1.723 173.649 175.328 0.072 0.000 1.067 909 H CA -1.570 54.529 56.048 0.085 0.000 1.447 909 H CB 1.901 31.739 29.762 0.128 0.000 1.469 909 H HN -0.095 nan 8.280 nan 0.000 0.544 910 P HA 0.125 nan 4.420 nan 0.000 0.245 910 P C -0.368 177.045 177.300 0.188 0.000 1.212 910 P CA 0.224 63.356 63.100 0.053 0.000 0.774 910 P CB 0.456 32.116 31.700 -0.066 0.000 0.999 911 A N -0.363 122.743 122.820 0.476 0.000 2.299 911 A HA 0.755 5.075 4.320 -0.001 0.000 0.332 911 A C 0.265 177.906 177.584 0.096 0.000 1.131 911 A CA -0.314 51.861 52.037 0.231 0.000 0.844 911 A CB 1.125 20.239 19.000 0.189 0.000 1.251 911 A HN 0.163 nan 8.150 nan 0.000 0.486 912 G N -1.368 107.345 108.800 -0.145 0.000 2.658 912 G HA2 0.637 4.596 3.960 -0.001 0.000 0.292 912 G HA3 0.637 4.596 3.960 -0.001 0.000 0.292 912 G C -1.871 172.637 174.900 -0.653 0.000 1.320 912 G CA -0.420 44.481 45.100 -0.332 0.000 0.933 912 G HN 0.532 nan 8.290 nan 0.000 0.476 913 Y N -0.787 119.474 120.300 -0.067 0.000 2.504 913 Y HA 0.473 5.023 4.550 -0.001 0.000 0.344 913 Y C 0.372 176.031 175.900 -0.403 0.000 1.023 913 Y CA -0.850 57.144 58.100 -0.177 0.000 1.020 913 Y CB 1.978 40.324 38.460 -0.189 0.000 1.282 913 Y HN 0.354 nan 8.280 nan 0.000 0.454 914 L N 2.244 123.297 121.223 -0.282 0.000 2.464 914 L HA 0.335 4.675 4.340 -0.001 0.000 0.264 914 L C 0.774 177.489 176.870 -0.258 0.000 1.199 914 L CA -0.490 54.105 54.840 -0.410 0.000 0.818 914 L CB 0.663 42.560 42.059 -0.270 0.000 1.102 914 L HN 0.787 nan 8.230 nan 0.000 0.473 915 T N -2.504 111.888 114.554 -0.269 0.000 2.849 915 T HA 0.047 4.396 4.350 -0.001 0.000 0.284 915 T C 1.168 175.816 174.700 -0.087 0.000 1.004 915 T CA -0.153 61.843 62.100 -0.174 0.000 1.021 915 T CB 1.496 70.257 68.868 -0.178 0.000 1.013 915 T HN 0.637 nan 8.240 nan 0.000 0.527 916 S N 0.917 116.579 115.700 -0.064 0.000 2.365 916 S HA -0.186 4.284 4.470 -0.001 0.000 0.225 916 S C 2.356 176.967 174.600 0.019 0.000 1.039 916 S CA 1.620 59.818 58.200 -0.004 0.000 1.033 916 S CB -1.253 61.931 63.200 -0.027 0.000 0.887 916 S HN 0.954 nan 8.310 nan 0.000 0.447 917 A N 1.083 123.890 122.820 -0.022 0.000 1.933 917 A HA 0.226 4.545 4.320 -0.001 0.000 0.218 917 A C 2.457 180.035 177.584 -0.011 0.000 1.175 917 A CA 1.895 53.921 52.037 -0.018 0.000 0.628 917 A CB -1.281 17.697 19.000 -0.037 0.000 0.814 917 A HN 0.830 nan 8.150 nan 0.000 0.444 918 A N -1.538 121.263 122.820 -0.031 0.000 1.929 918 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 918 A C 2.089 179.699 177.584 0.043 0.000 1.176 918 A CA 1.467 53.487 52.037 -0.027 0.000 0.628 918 A CB -0.881 18.046 19.000 -0.122 0.000 0.816 918 A HN 0.771 nan 8.150 nan 0.000 0.444 919 H N 0.097 119.150 119.070 -0.029 0.000 2.321 919 H HA -0.061 4.494 4.556 -0.001 0.000 0.300 919 H C 1.825 177.186 175.328 0.055 0.000 1.087 919 H CA 1.837 57.905 56.048 0.033 0.000 1.319 919 H CB -0.026 29.750 29.762 0.022 0.000 1.379 919 H HN 0.421 nan 8.280 nan 0.000 0.501 920 K N 0.183 120.548 120.400 -0.057 0.000 2.097 920 K HA -0.071 4.249 4.320 -0.001 0.000 0.206 920 K C 2.385 178.948 176.600 -0.062 0.000 1.049 920 K CA 0.841 57.072 56.287 -0.094 0.000 0.933 920 K CB -0.036 32.457 32.500 -0.012 0.000 0.717 920 K HN 0.271 nan 8.250 nan 0.000 0.442 921 A N 0.861 123.668 122.820 -0.022 0.000 1.902 921 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 921 A C 2.197 179.779 177.584 -0.002 0.000 1.181 921 A CA 2.012 54.048 52.037 -0.001 0.000 0.623 921 A CB -0.633 18.381 19.000 0.024 0.000 0.818 921 A HN 0.287 nan 8.150 nan 0.000 0.443 922 S N -0.583 115.119 115.700 0.004 0.000 2.368 922 S HA -0.242 4.228 4.470 -0.001 0.000 0.225 922 S C 2.119 176.700 174.600 -0.033 0.000 1.030 922 S CA 1.732 59.948 58.200 0.028 0.000 0.999 922 S CB -0.423 62.842 63.200 0.108 0.000 0.844 922 S HN 0.679 nan 8.310 nan 0.000 0.459 923 Q N 0.629 120.363 119.800 -0.110 0.000 2.170 923 Q HA -0.085 4.254 4.340 -0.001 0.000 0.203 923 Q C 2.475 178.420 176.000 -0.093 0.000 0.976 923 Q CA 1.637 57.375 55.803 -0.108 0.000 0.858 923 Q CB -0.310 28.346 28.738 -0.137 0.000 0.907 923 Q HN 0.818 nan 8.270 nan 0.000 0.433 924 S N 0.135 115.792 115.700 -0.072 0.000 2.447 924 S HA -0.059 4.410 4.470 -0.001 0.000 0.233 924 S C 1.826 176.365 174.600 -0.102 0.000 1.006 924 S CA 0.604 58.760 58.200 -0.074 0.000 0.957 924 S CB -0.179 62.998 63.200 -0.040 0.000 0.773 924 S HN 0.278 nan 8.310 nan 0.000 0.507 925 L N -0.025 121.145 121.223 -0.087 0.000 2.168 925 L HA 0.242 4.582 4.340 -0.001 0.000 0.203 925 L C 2.473 179.248 176.870 -0.159 0.000 1.078 925 L CA 0.699 55.477 54.840 -0.102 0.000 0.780 925 L CB -0.354 41.669 42.059 -0.060 0.000 0.939 925 L HN 0.277 nan 8.230 nan 0.000 0.451 926 L N -1.200 119.934 121.223 -0.148 0.000 2.249 926 L HA 0.042 4.382 4.340 -0.001 0.000 0.207 926 L C 0.163 176.854 176.870 -0.299 0.000 1.090 926 L CA 0.752 55.478 54.840 -0.189 0.000 0.802 926 L CB 0.131 42.116 42.059 -0.123 0.000 0.947 926 L HN 0.198 nan 8.230 nan 0.000 0.453 927 D N 0.459 120.682 120.400 -0.296 0.000 2.613 927 D HA 0.233 4.872 4.640 -0.001 0.000 0.312 927 D C -2.353 173.698 176.300 -0.415 0.000 1.202 927 D CA -1.010 52.736 54.000 -0.423 0.000 0.825 927 D CB 1.346 42.111 40.800 -0.059 0.000 1.113 927 D HN 0.043 nan 8.370 nan 0.000 0.502 928 P HA 0.105 nan 4.420 nan 0.000 0.274 928 P C 0.614 177.778 177.300 -0.226 0.000 1.260 928 P CA -0.490 62.425 63.100 -0.308 0.000 0.793 928 P CB 1.479 33.001 31.700 -0.296 0.000 1.048 929 L N 0.783 121.942 121.223 -0.105 0.000 2.485 929 L HA 0.066 4.405 4.340 -0.001 0.000 0.275 929 L C 0.896 177.787 176.870 0.035 0.000 1.207 929 L CA 0.436 55.272 54.840 -0.007 0.000 0.855 929 L CB -0.326 41.741 42.059 0.013 0.000 1.114 929 L HN 0.276 nan 8.230 nan 0.000 0.485 930 D N 3.427 123.941 120.400 0.190 0.000 2.255 930 D HA 0.290 4.930 4.640 -0.001 0.000 0.249 930 D C -0.291 176.081 176.300 0.120 0.000 1.078 930 D CA -0.219 53.889 54.000 0.180 0.000 0.896 930 D CB 1.578 42.578 40.800 0.334 0.000 1.194 930 D HN 0.366 nan 8.370 nan 0.000 0.429 931 K N 1.536 121.900 120.400 -0.059 0.000 2.323 931 K HA 0.452 4.772 4.320 -0.001 0.000 0.259 931 K C -0.975 175.603 176.600 -0.036 0.000 0.947 931 K CA -0.640 55.708 56.287 0.101 0.000 0.819 931 K CB 1.478 33.986 32.500 0.013 0.000 1.109 931 K HN 0.228 nan 8.250 nan 0.000 0.429 932 F N 2.697 122.858 119.950 0.353 0.000 2.520 932 F HA 0.498 5.024 4.527 -0.001 0.000 0.322 932 F C 0.040 176.134 175.800 0.491 0.000 1.103 932 F CA -0.899 57.298 58.000 0.328 0.000 0.926 932 F CB 1.275 40.306 39.000 0.051 0.000 1.154 932 F HN 0.194 nan 8.300 nan 0.000 0.453 933 I N 3.431 124.392 120.570 0.651 0.000 2.362 933 I HA 0.224 4.394 4.170 -0.001 0.000 0.289 933 I C -0.552 175.860 176.117 0.493 0.000 0.994 933 I CA -0.842 60.766 61.300 0.513 0.000 1.158 933 I CB 1.288 39.488 38.000 0.334 0.000 1.315 933 I HN 0.441 nan 8.210 nan 0.000 0.451 934 F N 5.644 125.765 119.950 0.286 0.000 2.578 934 F HA 0.179 4.706 4.527 -0.001 0.000 0.376 934 F C 1.204 176.933 175.800 -0.120 0.000 1.085 934 F CA 0.137 58.007 58.000 -0.217 0.000 1.260 934 F CB 1.170 40.066 39.000 -0.175 0.000 1.095 934 F HN 0.592 nan 8.300 nan 0.000 0.573 935 A N 4.466 126.719 122.820 -0.945 0.000 2.132 935 A HA 0.121 4.441 4.320 -0.001 0.000 0.213 935 A C 0.834 178.157 177.584 -0.435 0.000 1.154 935 A CA 0.412 52.136 52.037 -0.522 0.000 0.753 935 A CB -0.285 18.405 19.000 -0.517 0.000 0.826 935 A HN 0.778 nan 8.150 nan 0.000 0.469 936 E N -0.984 118.825 120.200 -0.652 0.000 2.405 936 E HA 0.217 4.567 4.350 -0.001 0.000 0.249 936 E C 0.018 176.745 176.600 0.211 0.000 1.028 936 E CA -0.886 55.437 56.400 -0.128 0.000 0.897 936 E CB 0.453 30.115 29.700 -0.062 0.000 1.262 936 E HN 0.130 nan 8.360 nan 0.000 0.442 937 N N 0.596 119.425 118.700 0.214 0.000 2.216 937 N HA -0.077 4.662 4.740 -0.001 0.000 0.183 937 N C -0.244 175.435 175.510 0.281 0.000 1.017 937 N CA 1.037 54.223 53.050 0.227 0.000 0.861 937 N CB 0.238 38.811 38.487 0.143 0.000 0.986 937 N HN 0.395 nan 8.380 nan 0.000 0.428 938 E N -0.697 119.687 120.200 0.307 0.000 2.246 938 E HA 0.111 4.460 4.350 -0.001 0.000 0.266 938 E C -1.492 175.192 176.600 0.139 0.000 0.880 938 E CA -0.706 55.796 56.400 0.170 0.000 0.762 938 E CB 1.144 30.907 29.700 0.106 0.000 1.180 938 E HN 0.035 nan 8.360 nan 0.000 0.416 939 W N 7.712 128.668 121.300 -0.573 0.000 2.317 939 W HA 0.402 5.061 4.660 -0.001 0.000 0.327 939 W C -1.355 174.949 176.519 -0.358 0.000 1.036 939 W CA -1.279 55.569 57.345 -0.828 0.000 1.419 939 W CB -0.172 28.267 29.460 -1.701 0.000 1.253 939 W HN 0.453 nan 8.180 nan 0.000 0.392 940 I N 5.637 126.287 120.570 0.133 0.000 2.474 940 I HA 0.344 4.513 4.170 -0.001 0.000 0.287 940 I C 1.493 177.587 176.117 -0.038 0.000 1.048 940 I CA 0.974 62.277 61.300 0.005 0.000 1.383 940 I CB 0.945 38.976 38.000 0.051 0.000 1.412 940 I HN 0.762 nan 8.210 nan 0.000 0.531 941 G N 4.081 112.783 108.800 -0.164 0.000 2.159 941 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.256 941 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.256 941 G C 0.436 175.103 174.900 -0.389 0.000 0.977 941 G CA -0.090 44.903 45.100 -0.178 0.000 0.652 941 G HN 1.021 nan 8.290 nan 0.000 0.531 942 A N -0.265 122.061 122.820 -0.825 0.000 2.531 942 A HA 0.536 4.856 4.320 -0.001 0.000 0.236 942 A C 0.594 177.764 177.584 -0.690 0.000 1.062 942 A CA 0.871 52.062 52.037 -1.411 0.000 0.760 942 A CB 0.212 18.006 19.000 -2.010 0.000 0.995 942 A HN 0.639 nan 8.150 nan 0.000 0.501 943 Q N 0.844 120.315 119.800 -0.548 0.000 2.301 943 Q HA 0.512 4.852 4.340 -0.001 0.000 0.267 943 Q C 1.165 177.056 176.000 -0.182 0.000 1.035 943 Q CA -0.221 55.424 55.803 -0.263 0.000 0.856 943 Q CB 1.869 30.521 28.738 -0.144 0.000 1.337 943 Q HN 0.803 nan 8.270 nan 0.000 0.450 944 G N 0.300 109.031 108.800 -0.114 0.000 2.453 944 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.215 944 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.215 944 G C 0.242 175.125 174.900 -0.028 0.000 1.147 944 G CA 0.638 45.689 45.100 -0.082 0.000 0.802 944 G HN 0.456 nan 8.290 nan 0.000 0.535 945 Q N -1.574 118.222 119.800 -0.006 0.000 2.472 945 Q HA 0.527 4.867 4.340 -0.001 0.000 0.281 945 Q C -2.353 173.673 176.000 0.044 0.000 0.997 945 Q CA -0.930 54.884 55.803 0.019 0.000 0.828 945 Q CB 2.304 31.039 28.738 -0.006 0.000 1.443 945 Q HN 0.068 nan 8.270 nan 0.000 0.390 946 F N 1.087 120.948 119.950 -0.148 0.000 2.547 946 F HA 0.640 5.167 4.527 -0.001 0.000 0.316 946 F C 0.508 176.054 175.800 -0.424 0.000 1.121 946 F CA 0.444 58.288 58.000 -0.261 0.000 0.911 946 F CB 2.006 40.863 39.000 -0.239 0.000 1.179 946 F HN 0.671 nan 8.300 nan 0.000 0.443 947 G N 3.103 110.905 108.800 -1.664 0.000 2.157 947 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.239 947 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.239 947 G C 1.053 175.278 174.900 -1.126 0.000 0.982 947 G CA 0.222 44.064 45.100 -2.096 0.000 0.650 947 G HN 1.543 nan 8.290 nan 0.000 0.527 948 G N 1.215 109.654 108.800 -0.602 0.000 2.479 948 G HA2 0.005 3.965 3.960 -0.001 0.000 0.220 948 G HA3 0.005 3.965 3.960 -0.001 0.000 0.220 948 G C 1.227 176.070 174.900 -0.096 0.000 1.115 948 G CA 1.779 46.755 45.100 -0.206 0.000 0.757 948 G HN 0.843 nan 8.290 nan 0.000 0.560 949 D N -0.723 119.543 120.400 -0.223 0.000 2.340 949 D HA 0.017 4.656 4.640 -0.001 0.000 0.217 949 D C 0.271 176.572 176.300 0.001 0.000 1.081 949 D CA -0.485 53.473 54.000 -0.070 0.000 0.842 949 D CB -0.896 39.868 40.800 -0.060 0.000 0.934 949 D HN 0.449 nan 8.370 nan 0.000 0.511 950 H N 1.119 120.081 119.070 -0.181 0.000 2.764 950 H HA 0.221 4.777 4.556 -0.001 0.000 0.341 950 H C -1.983 173.315 175.328 -0.051 0.000 1.072 950 H CA -1.714 54.252 56.048 -0.137 0.000 1.444 950 H CB 0.651 30.278 29.762 -0.226 0.000 1.458 950 H HN -0.006 nan 8.280 nan 0.000 0.572 951 P HA -0.056 nan 4.420 nan 0.000 0.268 951 P C -0.633 176.737 177.300 0.116 0.000 1.205 951 P CA 0.072 63.235 63.100 0.105 0.000 0.771 951 P CB 0.734 32.473 31.700 0.066 0.000 0.858 952 S N 2.166 117.970 115.700 0.173 0.000 2.434 952 S HA 0.586 5.056 4.470 -0.001 0.000 0.318 952 S C -0.028 174.686 174.600 0.189 0.000 1.062 952 S CA -0.591 57.743 58.200 0.223 0.000 1.116 952 S CB -0.643 62.806 63.200 0.415 0.000 0.977 952 S HN 0.492 nan 8.310 nan 0.000 0.480 953 A N 4.377 127.301 122.820 0.173 0.000 2.332 953 A HA 0.510 4.829 4.320 -0.001 0.000 0.258 953 A C 0.548 178.209 177.584 0.128 0.000 1.087 953 A CA -0.548 51.570 52.037 0.135 0.000 0.802 953 A CB 0.199 19.276 19.000 0.128 0.000 1.042 953 A HN 0.921 nan 8.150 nan 0.000 0.489 954 R N 0.090 120.633 120.500 0.073 0.000 2.697 954 R HA -0.032 4.308 4.340 -0.001 0.000 0.265 954 R C 1.377 177.696 176.300 0.032 0.000 1.009 954 R CA 0.969 57.088 56.100 0.032 0.000 1.099 954 R CB 0.328 30.628 30.300 -0.000 0.000 0.965 954 R HN 0.904 nan 8.270 nan 0.000 0.428 955 E N 1.703 121.886 120.200 -0.029 0.000 2.333 955 E HA -0.207 4.142 4.350 -0.001 0.000 0.198 955 E C 0.162 176.797 176.600 0.057 0.000 1.007 955 E CA 1.405 57.767 56.400 -0.063 0.000 0.845 955 E CB -0.019 29.617 29.700 -0.107 0.000 0.766 955 E HN 0.762 nan 8.360 nan 0.000 0.507 956 D N 0.629 121.023 120.400 -0.009 0.000 2.340 956 D HA 0.017 4.657 4.640 -0.001 0.000 0.220 956 D C 0.312 176.608 176.300 -0.007 0.000 1.039 956 D CA -0.178 53.772 54.000 -0.084 0.000 0.866 956 D CB -0.010 40.683 40.800 -0.179 0.000 0.913 956 D HN 0.170 nan 8.370 nan 0.000 0.523 957 L N 0.749 122.019 121.223 0.078 0.000 2.309 957 L HA 0.527 4.866 4.340 -0.001 0.000 0.282 957 L C -1.111 175.889 176.870 0.216 0.000 1.036 957 L CA -0.432 54.473 54.840 0.108 0.000 0.806 957 L CB 1.701 43.813 42.059 0.087 0.000 1.220 957 L HN -0.224 nan 8.230 nan 0.000 0.429 958 D N 2.301 122.848 120.400 0.245 0.000 2.671 958 D HA 0.364 5.004 4.640 -0.001 0.000 0.232 958 D C -1.305 175.157 176.300 0.270 0.000 1.114 958 D CA -0.267 53.902 54.000 0.281 0.000 0.858 958 D CB 2.412 43.424 40.800 0.354 0.000 1.544 958 D HN 0.234 nan 8.370 nan 0.000 0.471 959 V N 3.485 123.536 119.914 0.227 0.000 2.267 959 V HA 0.121 4.240 4.120 -0.001 0.000 0.254 959 V C 1.329 177.558 176.094 0.225 0.000 1.144 959 V CA -0.020 62.425 62.300 0.241 0.000 0.992 959 V CB 0.361 32.314 31.823 0.215 0.000 1.199 959 V HN 0.580 nan 8.190 nan 0.000 0.493 960 S N 3.029 118.892 115.700 0.272 0.000 2.382 960 S HA -0.026 4.443 4.470 -0.001 0.000 0.228 960 S C 0.691 175.345 174.600 0.089 0.000 1.027 960 S CA 0.913 59.225 58.200 0.187 0.000 0.991 960 S CB 0.148 63.515 63.200 0.277 0.000 0.823 960 S HN 0.500 nan 8.310 nan 0.000 0.469 961 V N 1.508 121.516 119.914 0.158 0.000 2.760 961 V HA 0.531 4.650 4.120 -0.001 0.000 0.309 961 V C -0.744 175.424 176.094 0.124 0.000 1.077 961 V CA -0.552 61.819 62.300 0.118 0.000 0.910 961 V CB 1.874 33.794 31.823 0.162 0.000 1.008 961 V HN 0.371 nan 8.190 nan 0.000 0.424 962 M N 5.614 125.208 119.600 -0.010 0.000 2.197 962 M HA 0.675 5.155 4.480 -0.001 0.000 0.301 962 M C -1.049 175.086 176.300 -0.276 0.000 0.987 962 M CA -0.497 54.664 55.300 -0.231 0.000 0.921 962 M CB 1.449 33.914 32.600 -0.225 0.000 1.569 962 M HN 0.749 nan 8.290 nan 0.000 0.431 963 R N 4.095 124.362 120.500 -0.387 0.000 2.515 963 R HA 0.441 4.781 4.340 -0.001 0.000 0.291 963 R C -1.357 174.715 176.300 -0.379 0.000 1.046 963 R CA -0.696 55.228 56.100 -0.293 0.000 0.914 963 R CB 1.863 32.075 30.300 -0.146 0.000 1.191 963 R HN 0.899 nan 8.270 nan 0.000 0.435 964 R N 4.424 124.758 120.500 -0.277 0.000 2.442 964 R HA 0.131 4.471 4.340 -0.001 0.000 0.291 964 R C 0.211 176.400 176.300 -0.184 0.000 1.069 964 R CA 0.084 56.048 56.100 -0.227 0.000 1.022 964 R CB 0.614 30.837 30.300 -0.128 0.000 0.976 964 R HN 0.706 nan 8.270 nan 0.000 0.443 965 L N 2.935 124.044 121.223 -0.190 0.000 2.616 965 L HA 0.145 4.485 4.340 -0.001 0.000 0.229 965 L C 0.319 177.139 176.870 -0.084 0.000 1.110 965 L CA 0.035 54.785 54.840 -0.149 0.000 0.884 965 L CB 0.450 42.390 42.059 -0.199 0.000 1.115 965 L HN 0.709 nan 8.230 nan 0.000 0.481 966 T N -2.629 111.885 114.554 -0.066 0.000 2.885 966 T HA 0.429 4.779 4.350 -0.001 0.000 0.285 966 T C -0.182 174.510 174.700 -0.014 0.000 1.019 966 T CA -0.917 61.161 62.100 -0.036 0.000 1.010 966 T CB 2.361 71.214 68.868 -0.025 0.000 1.022 966 T HN -0.086 nan 8.240 nan 0.000 0.466 967 K N 1.058 121.455 120.400 -0.005 0.000 2.120 967 K HA 0.271 4.591 4.320 -0.001 0.000 0.245 967 K C 1.630 178.243 176.600 0.021 0.000 1.024 967 K CA -0.163 56.132 56.287 0.013 0.000 0.906 967 K CB 0.558 33.065 32.500 0.010 0.000 1.051 967 K HN 0.824 nan 8.250 nan 0.000 0.491 968 S N -0.663 115.059 115.700 0.035 0.000 2.447 968 S HA -0.134 4.336 4.470 -0.001 0.000 0.233 968 S C 1.735 176.350 174.600 0.024 0.000 1.006 968 S CA 1.358 59.579 58.200 0.034 0.000 0.957 968 S CB -0.274 62.955 63.200 0.047 0.000 0.773 968 S HN 0.631 nan 8.310 nan 0.000 0.507 969 S N 1.288 117.000 115.700 0.021 0.000 2.603 969 S HA 0.482 4.952 4.470 -0.001 0.000 0.220 969 S C 0.751 175.357 174.600 0.011 0.000 0.967 969 S CA -0.036 58.174 58.200 0.017 0.000 0.920 969 S CB -0.561 62.649 63.200 0.016 0.000 0.773 969 S HN 0.744 nan 8.310 nan 0.000 0.529 970 A N 1.953 124.777 122.820 0.008 0.000 2.492 970 A HA 0.332 4.652 4.320 -0.001 0.000 0.254 970 A C 1.275 178.864 177.584 0.008 0.000 1.091 970 A CA -0.308 51.731 52.037 0.003 0.000 0.768 970 A CB 0.155 19.153 19.000 -0.002 0.000 1.028 970 A HN 0.506 nan 8.150 nan 0.000 0.498 971 K N 1.798 122.201 120.400 0.006 0.000 2.057 971 K HA -0.091 4.229 4.320 -0.001 0.000 0.207 971 K C 0.105 176.713 176.600 0.013 0.000 1.049 971 K CA 1.645 57.938 56.287 0.009 0.000 0.931 971 K CB -0.035 32.468 32.500 0.005 0.000 0.714 971 K HN 0.654 nan 8.250 nan 0.000 0.440 972 T N 2.638 117.197 114.554 0.007 0.000 2.781 972 T HA 0.170 4.519 4.350 -0.001 0.000 0.305 972 T C -0.773 173.938 174.700 0.019 0.000 1.001 972 T CA -0.618 61.488 62.100 0.010 0.000 0.950 972 T CB 1.320 70.182 68.868 -0.010 0.000 0.955 972 T HN 0.103 nan 8.240 nan 0.000 0.471 973 Q N 2.788 122.620 119.800 0.053 0.000 2.340 973 Q HA 0.391 4.730 4.340 -0.001 0.000 0.249 973 Q C 0.126 176.183 176.000 0.094 0.000 0.957 973 Q CA 0.115 55.955 55.803 0.061 0.000 0.882 973 Q CB 1.246 30.022 28.738 0.064 0.000 1.235 973 Q HN 0.552 nan 8.270 nan 0.000 0.439 974 R N 0.281 120.802 120.500 0.034 0.000 2.628 974 R HA 0.646 4.986 4.340 -0.001 0.000 0.288 974 R C -1.127 175.127 176.300 -0.077 0.000 0.980 974 R CA -0.646 55.457 56.100 0.005 0.000 0.891 974 R CB 1.866 32.131 30.300 -0.059 0.000 1.188 974 R HN 0.261 nan 8.270 nan 0.000 0.450 975 V N 1.404 121.266 119.914 -0.087 0.000 2.588 975 V HA 0.627 4.747 4.120 -0.001 0.000 0.304 975 V C 0.195 175.999 176.094 -0.484 0.000 1.042 975 V CA -0.847 61.266 62.300 -0.311 0.000 0.877 975 V CB 2.055 33.704 31.823 -0.290 0.000 0.996 975 V HN 0.943 nan 8.190 nan 0.000 0.425 976 G N 2.753 111.055 108.800 -0.830 0.000 2.389 976 G HA2 0.680 4.639 3.960 -0.001 0.000 0.328 976 G HA3 0.680 4.639 3.960 -0.001 0.000 0.328 976 G C -1.712 172.732 174.900 -0.761 0.000 1.133 976 G CA -0.329 44.112 45.100 -1.097 0.000 0.891 976 G HN 0.504 nan 8.290 nan 0.000 0.485 977 Y N 0.184 120.560 120.300 0.126 0.000 2.442 977 Y HA 0.462 5.011 4.550 -0.001 0.000 0.344 977 Y C -0.152 176.020 175.900 0.453 0.000 0.976 977 Y CA -0.901 57.367 58.100 0.280 0.000 1.040 977 Y CB 2.746 41.340 38.460 0.224 0.000 1.228 977 Y HN 0.350 nan 8.280 nan 0.000 0.451 978 V N 5.071 125.285 119.914 0.501 0.000 2.370 978 V HA 0.382 4.502 4.120 -0.001 0.000 0.283 978 V C -0.374 175.951 176.094 0.385 0.000 1.023 978 V CA -0.731 61.791 62.300 0.369 0.000 0.857 978 V CB 1.416 33.410 31.823 0.285 0.000 0.985 978 V HN 0.618 nan 8.190 nan 0.000 0.443 979 L N 4.718 126.154 121.223 0.354 0.000 2.313 979 L HA 0.570 4.909 4.340 -0.001 0.000 0.283 979 L C -0.779 176.291 176.870 0.334 0.000 1.013 979 L CA -0.579 54.462 54.840 0.336 0.000 0.816 979 L CB 1.513 43.768 42.059 0.326 0.000 1.236 979 L HN 0.742 nan 8.230 nan 0.000 0.419 980 H N 4.045 123.270 119.070 0.259 0.000 2.529 980 H HA 0.463 5.018 4.556 -0.001 0.000 0.348 980 H C -1.042 174.376 175.328 0.151 0.000 1.079 980 H CA -0.611 55.561 56.048 0.208 0.000 1.198 980 H CB 1.421 31.387 29.762 0.340 0.000 1.521 980 H HN 0.460 nan 8.280 nan 0.000 0.514 981 R N 4.206 124.335 120.500 -0.617 0.000 2.437 981 R HA 0.327 4.666 4.340 -0.001 0.000 0.310 981 R C -0.391 175.473 176.300 -0.726 0.000 0.955 981 R CA -0.510 55.311 56.100 -0.464 0.000 0.851 981 R CB 1.374 31.538 30.300 -0.227 0.000 1.161 981 R HN 0.760 nan 8.270 nan 0.000 0.446 982 T N 1.464 115.749 114.554 -0.448 0.000 2.833 982 T HA 0.193 4.542 4.350 -0.001 0.000 0.292 982 T C -0.534 173.990 174.700 -0.293 0.000 1.031 982 T CA -0.459 61.472 62.100 -0.281 0.000 0.937 982 T CB 0.583 69.361 68.868 -0.150 0.000 1.256 982 T HN 0.679 nan 8.240 nan 0.000 0.551 983 N N 0.629 119.182 118.700 -0.246 0.000 2.399 983 N HA 0.470 5.210 4.740 -0.001 0.000 0.284 983 N C -1.454 173.895 175.510 -0.270 0.000 1.025 983 N CA -0.485 52.361 53.050 -0.340 0.000 0.885 983 N CB 0.658 38.792 38.487 -0.590 0.000 1.339 983 N HN 0.466 nan 8.380 nan 0.000 0.487 984 L N 2.733 123.794 121.223 -0.270 0.000 2.331 984 L HA 0.536 4.875 4.340 -0.001 0.000 0.275 984 L C 0.522 177.268 176.870 -0.207 0.000 1.022 984 L CA -0.961 53.755 54.840 -0.207 0.000 0.812 984 L CB 1.571 43.517 42.059 -0.187 0.000 1.257 984 L HN 0.388 nan 8.230 nan 0.000 0.435 985 M N 2.205 121.704 119.600 -0.168 0.000 2.245 985 M HA 0.095 4.575 4.480 -0.001 0.000 0.344 985 M C -0.182 176.032 176.300 -0.143 0.000 1.170 985 M CA -0.036 55.168 55.300 -0.161 0.000 1.135 985 M CB 0.475 32.985 32.600 -0.150 0.000 1.574 985 M HN 0.479 nan 8.290 nan 0.000 0.452 986 Q N 2.083 121.802 119.800 -0.135 0.000 2.314 986 Q HA 0.194 4.533 4.340 -0.001 0.000 0.257 986 Q C -0.272 175.672 176.000 -0.093 0.000 0.975 986 Q CA 0.070 55.807 55.803 -0.110 0.000 0.933 986 Q CB 0.874 29.549 28.738 -0.106 0.000 1.195 986 Q HN 0.790 nan 8.270 nan 0.000 0.426 987 c N 0.906 119.456 118.600 -0.084 0.000 3.098 987 c HA 0.374 4.944 4.570 -0.001 0.000 0.265 987 c C 1.309 175.363 174.090 -0.059 0.000 1.572 987 c CA -0.002 56.283 56.329 -0.074 0.000 1.788 987 c CB -0.400 42.061 42.510 -0.082 0.000 2.982 987 c HN 1.054 nan 8.230 nan 0.000 0.532 988 G N 1.269 110.035 108.800 -0.056 0.000 2.175 988 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.244 988 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.244 988 G C 0.068 174.943 174.900 -0.041 0.000 0.982 988 G CA 0.367 45.440 45.100 -0.045 0.000 0.641 988 G HN 0.461 nan 8.290 nan 0.000 0.527 989 T N 3.689 118.215 114.554 -0.045 0.000 2.738 989 T HA 0.472 4.822 4.350 -0.001 0.000 0.293 989 T C -1.626 173.052 174.700 -0.037 0.000 0.913 989 T CA -0.388 61.689 62.100 -0.039 0.000 1.103 989 T CB 1.317 70.160 68.868 -0.041 0.000 0.880 989 T HN 0.251 nan 8.240 nan 0.000 0.526 990 P HA 0.082 nan 4.420 nan 0.000 0.265 990 P C 0.104 177.390 177.300 -0.023 0.000 1.187 990 P CA -0.183 62.903 63.100 -0.024 0.000 0.766 990 P CB 0.556 32.248 31.700 -0.013 0.000 0.820 991 E N 2.140 122.322 120.200 -0.030 0.000 2.331 991 E HA 0.088 4.437 4.350 -0.001 0.000 0.272 991 E C 0.045 176.642 176.600 -0.004 0.000 1.036 991 E CA -0.631 55.750 56.400 -0.032 0.000 0.864 991 E CB 0.687 30.352 29.700 -0.058 0.000 1.035 991 E HN 0.441 nan 8.360 nan 0.000 0.408 992 E N 4.590 124.798 120.200 0.014 0.000 2.214 992 E HA 0.167 4.516 4.350 -0.001 0.000 0.274 992 E C -0.597 176.057 176.600 0.088 0.000 0.977 992 E CA -0.636 55.810 56.400 0.078 0.000 0.827 992 E CB 0.776 30.510 29.700 0.057 0.000 1.130 992 E HN 0.569 nan 8.360 nan 0.000 0.394 993 H N 1.335 120.398 119.070 -0.011 0.000 2.972 993 H HA 0.099 4.654 4.556 -0.001 0.000 0.343 993 H C 0.209 175.540 175.328 0.004 0.000 1.054 993 H CA 0.931 56.976 56.048 -0.006 0.000 1.412 993 H CB 0.634 30.393 29.762 -0.006 0.000 1.385 993 H HN 0.635 nan 8.280 nan 0.000 0.600 994 T N 0.339 114.956 114.554 0.106 0.000 2.887 994 T HA 0.330 4.679 4.350 -0.001 0.000 0.292 994 T C -0.378 174.372 174.700 0.083 0.000 1.087 994 T CA -1.269 60.885 62.100 0.090 0.000 1.009 994 T CB 1.944 70.851 68.868 0.065 0.000 1.203 994 T HN 0.543 nan 8.240 nan 0.000 0.518 995 Q N 0.679 120.531 119.800 0.088 0.000 2.259 995 Q HA 0.382 4.721 4.340 -0.001 0.000 0.249 995 Q C -0.272 175.757 176.000 0.049 0.000 0.914 995 Q CA -0.816 55.029 55.803 0.070 0.000 0.904 995 Q CB 1.303 30.090 28.738 0.081 0.000 1.213 995 Q HN 0.541 nan 8.270 nan 0.000 0.428 996 K N 1.842 122.257 120.400 0.026 0.000 2.451 996 K HA 0.060 4.379 4.320 -0.001 0.000 0.280 996 K C -0.936 175.668 176.600 0.006 0.000 1.020 996 K CA -0.273 56.018 56.287 0.007 0.000 1.008 996 K CB 0.364 32.857 32.500 -0.011 0.000 0.917 996 K HN 0.406 nan 8.250 nan 0.000 0.478 997 L N 4.735 125.958 121.223 0.000 0.000 2.265 997 L HA 0.271 4.611 4.340 -0.001 0.000 0.289 997 L C -1.108 175.725 176.870 -0.060 0.000 1.033 997 L CA -0.064 54.767 54.840 -0.015 0.000 0.814 997 L CB 1.214 43.276 42.059 0.006 0.000 1.203 997 L HN 0.567 nan 8.230 nan 0.000 0.423 998 D N 3.588 123.943 120.400 -0.075 0.000 2.472 998 D HA 0.156 4.796 4.640 -0.001 0.000 0.234 998 D C 1.097 177.300 176.300 -0.162 0.000 1.088 998 D CA -0.261 53.672 54.000 -0.112 0.000 0.882 998 D CB 1.188 41.964 40.800 -0.040 0.000 1.037 998 D HN 0.392 nan 8.370 nan 0.000 0.520 999 V N 1.345 121.067 119.914 -0.320 0.000 2.594 999 V HA -0.186 3.933 4.120 -0.001 0.000 0.253 999 V C 2.136 177.925 176.094 -0.507 0.000 1.069 999 V CA 1.062 63.000 62.300 -0.604 0.000 1.082 999 V CB -1.100 30.081 31.823 -1.071 0.000 0.680 999 V HN 0.600 nan 8.190 nan 0.000 0.469 1000 c N 0.507 118.943 118.600 -0.273 0.000 2.437 1000 c HA 0.015 4.585 4.570 -0.001 0.000 0.283 1000 c C 2.080 176.085 174.090 -0.142 0.000 1.424 1000 c CA 1.213 57.456 56.329 -0.144 0.000 1.782 1000 c CB -1.821 40.600 42.510 -0.149 0.000 1.833 1000 c HN 0.765 nan 8.230 nan 0.000 0.532 1001 H N -0.969 118.076 119.070 -0.042 0.000 2.505 1001 H HA 0.268 4.824 4.556 -0.001 0.000 0.286 1001 H C 1.670 177.031 175.328 0.054 0.000 1.072 1001 H CA -0.015 56.051 56.048 0.029 0.000 1.141 1001 H CB 0.051 29.814 29.762 0.002 0.000 1.550 1001 H HN 0.347 nan 8.280 nan 0.000 0.547 1002 L N -0.141 121.140 121.223 0.097 0.000 2.217 1002 L HA 0.009 4.348 4.340 -0.001 0.000 0.211 1002 L C 0.068 177.083 176.870 0.242 0.000 1.107 1002 L CA 0.857 55.784 54.840 0.144 0.000 0.783 1002 L CB 0.164 42.270 42.059 0.080 0.000 0.919 1002 L HN 0.205 nan 8.230 nan 0.000 0.442 1003 L N -0.144 121.179 121.223 0.167 0.000 2.334 1003 L HA 0.411 4.751 4.340 -0.001 0.000 0.273 1003 L C -2.119 174.797 176.870 0.076 0.000 1.013 1003 L CA -2.016 52.855 54.840 0.052 0.000 0.816 1003 L CB 1.584 43.465 42.059 -0.298 0.000 1.278 1003 L HN -0.214 nan 8.230 nan 0.000 0.431 1004 P HA 0.120 nan 4.420 nan 0.000 0.275 1004 P C -0.812 176.598 177.300 0.183 0.000 1.266 1004 P CA -0.289 62.879 63.100 0.113 0.000 0.793 1004 P CB 0.321 32.066 31.700 0.075 0.000 1.074 1005 N N -3.213 115.575 118.700 0.147 0.000 2.740 1005 N HA -0.151 4.589 4.740 -0.001 0.000 0.248 1005 N C -0.004 175.590 175.510 0.141 0.000 1.062 1005 N CA -0.063 53.065 53.050 0.130 0.000 0.704 1005 N CB -1.684 36.871 38.487 0.112 0.000 0.968 1005 N HN 0.243 nan 8.380 nan 0.000 0.547 1006 V N 0.113 120.067 119.914 0.067 0.000 2.585 1006 V HA 0.370 4.490 4.120 -0.001 0.000 0.296 1006 V C 1.148 177.144 176.094 -0.163 0.000 1.035 1006 V CA 1.147 63.322 62.300 -0.208 0.000 1.084 1006 V CB 1.241 32.842 31.823 -0.370 0.000 0.953 1006 V HN 0.413 nan 8.190 nan 0.000 0.483 1007 A N 7.057 129.755 122.820 -0.202 0.000 2.287 1007 A HA 0.494 4.813 4.320 -0.001 0.000 0.214 1007 A C 0.897 178.440 177.584 -0.069 0.000 1.228 1007 A CA -0.010 51.970 52.037 -0.095 0.000 0.939 1007 A CB 0.256 19.215 19.000 -0.069 0.000 0.992 1007 A HN 0.777 nan 8.150 nan 0.000 0.502 1008 R N -1.643 118.786 120.500 -0.118 0.000 2.634 1008 R HA 0.466 4.805 4.340 -0.001 0.000 0.263 1008 R C -2.337 173.934 176.300 -0.049 0.000 1.060 1008 R CA -0.342 55.749 56.100 -0.015 0.000 0.898 1008 R CB 1.351 31.648 30.300 -0.005 0.000 1.253 1008 R HN 0.282 nan 8.270 nan 0.000 0.461 1009 c N 2.668 121.299 118.600 0.051 0.000 2.431 1009 c HA 0.623 5.193 4.570 -0.001 0.000 0.321 1009 c C -1.147 173.042 174.090 0.164 0.000 1.202 1009 c CA -0.186 56.177 56.329 0.056 0.000 1.398 1009 c CB 1.134 43.641 42.510 -0.005 0.000 2.047 1009 c HN 0.899 nan 8.230 nan 0.000 0.465 1010 E N 3.009 123.323 120.200 0.189 0.000 2.266 1010 E HA 0.426 4.775 4.350 -0.001 0.000 0.268 1010 E C -0.961 175.814 176.600 0.292 0.000 0.879 1010 E CA -0.619 55.909 56.400 0.213 0.000 0.762 1010 E CB 1.873 31.650 29.700 0.129 0.000 1.199 1010 E HN 0.644 nan 8.360 nan 0.000 0.422 1011 R N 1.498 122.153 120.500 0.258 0.000 2.390 1011 R HA 0.290 4.629 4.340 -0.001 0.000 0.291 1011 R C -0.437 175.896 176.300 0.055 0.000 1.070 1011 R CA 0.189 56.363 56.100 0.123 0.000 1.014 1011 R CB 0.571 30.914 30.300 0.072 0.000 1.007 1011 R HN 0.688 nan 8.270 nan 0.000 0.466 1012 T N -0.239 114.321 114.554 0.010 0.000 2.907 1012 T HA 0.359 4.708 4.350 -0.001 0.000 0.290 1012 T C 0.084 174.770 174.700 -0.023 0.000 1.066 1012 T CA -0.771 61.356 62.100 0.044 0.000 1.012 1012 T CB 1.378 70.343 68.868 0.162 0.000 1.184 1012 T HN 0.621 nan 8.240 nan 0.000 0.522 1013 T N 0.140 114.684 114.554 -0.017 0.000 2.795 1013 T HA 0.202 4.551 4.350 -0.001 0.000 0.314 1013 T C 1.580 176.205 174.700 -0.125 0.000 1.069 1013 T CA -0.699 61.368 62.100 -0.055 0.000 1.071 1013 T CB -0.061 68.790 68.868 -0.029 0.000 0.988 1013 T HN 0.565 nan 8.240 nan 0.000 0.543 1014 L N 1.117 122.249 121.223 -0.152 0.000 2.362 1014 L HA -0.032 4.307 4.340 -0.001 0.000 0.219 1014 L C 2.817 179.395 176.870 -0.486 0.000 1.134 1014 L CA 1.391 56.075 54.840 -0.261 0.000 0.807 1014 L CB -1.015 40.975 42.059 -0.115 0.000 0.927 1014 L HN 0.988 nan 8.230 nan 0.000 0.447 1015 T N -4.987 109.379 114.554 -0.314 0.000 3.129 1015 T HA 0.004 4.354 4.350 -0.001 0.000 0.251 1015 T C 0.746 175.319 174.700 -0.213 0.000 1.117 1015 T CA -0.224 61.714 62.100 -0.271 0.000 1.034 1015 T CB -0.125 68.719 68.868 -0.041 0.000 0.968 1015 T HN 0.204 nan 8.240 nan 0.000 0.526 1016 F N -0.878 119.084 119.950 0.020 0.000 2.840 1016 F HA -0.185 4.342 4.527 -0.001 0.000 0.310 1016 F C 1.002 176.801 175.800 -0.001 0.000 0.688 1016 F CA -0.110 57.894 58.000 0.007 0.000 1.286 1016 F CB -2.324 36.675 39.000 -0.001 0.000 1.612 1016 F HN 0.248 nan 8.300 nan 0.000 0.335 1017 L N -0.908 120.382 121.223 0.111 0.000 2.529 1017 L HA 0.111 4.451 4.340 -0.001 0.000 0.223 1017 L C 1.064 177.954 176.870 0.034 0.000 1.113 1017 L CA 0.835 55.714 54.840 0.066 0.000 0.861 1017 L CB 0.203 42.284 42.059 0.037 0.000 1.012 1017 L HN 0.333 nan 8.230 nan 0.000 0.461 1018 Q N 0.412 120.232 119.800 0.033 0.000 2.305 1018 Q HA 0.274 4.614 4.340 -0.001 0.000 0.271 1018 Q C -1.158 174.857 176.000 0.025 0.000 1.046 1018 Q CA -0.721 55.090 55.803 0.013 0.000 0.798 1018 Q CB 1.913 30.645 28.738 -0.010 0.000 1.286 1018 Q HN 0.076 nan 8.270 nan 0.000 0.435 1019 N N 4.375 123.087 118.700 0.020 0.000 2.470 1019 N HA 0.175 4.914 4.740 -0.001 0.000 0.268 1019 N C 0.294 175.818 175.510 0.023 0.000 1.136 1019 N CA 0.233 53.300 53.050 0.029 0.000 0.961 1019 N CB 1.093 39.589 38.487 0.015 0.000 1.067 1019 N HN 0.642 nan 8.380 nan 0.000 0.468 1020 L N 0.561 121.803 121.223 0.032 0.000 2.500 1020 L HA 0.284 4.624 4.340 -0.001 0.000 0.219 1020 L C 0.666 177.563 176.870 0.046 0.000 1.057 1020 L CA 0.467 55.322 54.840 0.024 0.000 0.854 1020 L CB 0.329 42.393 42.059 0.007 0.000 1.078 1020 L HN 0.513 nan 8.230 nan 0.000 0.480 1021 E N -0.531 119.716 120.200 0.079 0.000 2.335 1021 E HA 0.137 4.487 4.350 -0.001 0.000 0.280 1021 E C -1.327 175.377 176.600 0.172 0.000 0.918 1021 E CA -0.550 55.915 56.400 0.108 0.000 0.765 1021 E CB 1.622 31.382 29.700 0.100 0.000 1.218 1021 E HN 0.103 nan 8.360 nan 0.000 0.425 1022 H N 5.823 124.919 119.070 0.043 0.000 2.652 1022 H HA 0.318 4.873 4.556 -0.001 0.000 0.298 1022 H C -0.715 174.638 175.328 0.042 0.000 1.076 1022 H CA -0.576 55.495 56.048 0.038 0.000 1.360 1022 H CB 0.616 30.391 29.762 0.021 0.000 1.421 1022 H HN 0.352 nan 8.280 nan 0.000 0.464 1023 L N 5.099 126.352 121.223 0.051 0.000 2.292 1023 L HA 0.108 4.448 4.340 -0.001 0.000 0.284 1023 L C 0.232 177.023 176.870 -0.133 0.000 1.065 1023 L CA -0.887 53.941 54.840 -0.022 0.000 0.806 1023 L CB 1.087 43.175 42.059 0.049 0.000 1.175 1023 L HN 0.668 nan 8.230 nan 0.000 0.431 1024 D N 2.670 123.002 120.400 -0.113 0.000 2.533 1024 D HA 0.096 4.736 4.640 -0.001 0.000 0.236 1024 D C 1.183 177.447 176.300 -0.061 0.000 1.137 1024 D CA 1.430 55.366 54.000 -0.107 0.000 0.867 1024 D CB 1.033 41.795 40.800 -0.063 0.000 1.170 1024 D HN 0.846 nan 8.370 nan 0.000 0.474 1025 G N 3.149 111.918 108.800 -0.052 0.000 2.166 1025 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.260 1025 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.260 1025 G C 0.803 175.742 174.900 0.065 0.000 0.986 1025 G CA 0.461 45.563 45.100 0.003 0.000 0.683 1025 G HN 0.655 nan 8.290 nan 0.000 0.527 1026 M N -2.753 116.858 119.600 0.019 0.000 2.576 1026 M HA -0.190 4.289 4.480 -0.001 0.000 0.200 1026 M C 0.082 176.432 176.300 0.083 0.000 0.487 1026 M CA 0.927 56.240 55.300 0.023 0.000 0.553 1026 M CB -1.985 30.598 32.600 -0.029 0.000 2.042 1026 M HN 0.237 nan 8.290 nan 0.000 0.758 1027 V N 0.721 120.667 119.914 0.053 0.000 2.398 1027 V HA 0.736 4.856 4.120 -0.001 0.000 0.286 1027 V C 0.607 176.634 176.094 -0.112 0.000 1.026 1027 V CA -0.339 61.972 62.300 0.019 0.000 0.868 1027 V CB 1.799 33.617 31.823 -0.007 0.000 0.982 1027 V HN 0.382 nan 8.190 nan 0.000 0.443 1028 A N 7.784 130.451 122.820 -0.255 0.000 2.279 1028 A HA 0.754 5.074 4.320 -0.001 0.000 0.306 1028 A C -2.420 174.893 177.584 -0.451 0.000 1.300 1028 A CA -1.469 50.182 52.037 -0.643 0.000 0.925 1028 A CB 0.104 18.383 19.000 -1.202 0.000 1.152 1028 A HN 0.634 nan 8.150 nan 0.000 0.544 1029 P HA 0.154 nan 4.420 nan 0.000 0.270 1029 P C -0.037 177.257 177.300 -0.011 0.000 1.223 1029 P CA -0.108 62.954 63.100 -0.064 0.000 0.785 1029 P CB 0.547 32.272 31.700 0.042 0.000 0.923 1030 E N -0.392 119.816 120.200 0.013 0.000 2.369 1030 E HA 0.286 4.635 4.350 -0.001 0.000 0.255 1030 E C -0.020 176.636 176.600 0.093 0.000 1.172 1030 E CA -0.873 55.563 56.400 0.060 0.000 0.932 1030 E CB 0.401 30.117 29.700 0.025 0.000 1.040 1030 E HN 0.277 nan 8.360 nan 0.000 0.454 1031 V N -1.837 118.131 119.914 0.090 0.000 2.966 1031 V HA 0.391 4.510 4.120 -0.001 0.000 0.317 1031 V C 0.064 176.161 176.094 0.006 0.000 1.070 1031 V CA -1.118 61.222 62.300 0.065 0.000 1.008 1031 V CB 1.288 33.155 31.823 0.074 0.000 1.070 1031 V HN 0.750 nan 8.190 nan 0.000 0.457 1032 c N 2.358 120.957 118.600 -0.002 0.000 2.595 1032 c HA 0.445 5.014 4.570 -0.001 0.000 0.384 1032 c C -2.105 171.933 174.090 -0.086 0.000 1.289 1032 c CA -0.361 55.948 56.329 -0.032 0.000 2.372 1032 c CB 0.014 42.522 42.510 -0.003 0.000 2.593 1032 c HN 0.810 nan 8.230 nan 0.000 0.639 1033 P HA 0.022 nan 4.420 nan 0.000 0.264 1033 P C 0.301 177.462 177.300 -0.233 0.000 1.183 1033 P CA 0.994 63.964 63.100 -0.215 0.000 0.763 1033 P CB 0.166 31.720 31.700 -0.245 0.000 0.807 1034 M N -1.157 118.255 119.600 -0.314 0.000 2.907 1034 M HA -0.186 4.293 4.480 -0.001 0.000 0.186 1034 M C -0.096 176.230 176.300 0.044 0.000 0.631 1034 M CA 1.395 56.505 55.300 -0.317 0.000 0.700 1034 M CB -2.020 30.072 32.600 -0.847 0.000 2.523 1034 M HN 0.414 nan 8.290 nan 0.000 0.323 1035 E N 0.462 120.671 120.200 0.014 0.000 2.250 1035 E HA 0.704 5.054 4.350 -0.001 0.000 0.269 1035 E C 0.115 176.792 176.600 0.128 0.000 1.018 1035 E CA -0.070 56.408 56.400 0.129 0.000 0.873 1035 E CB 1.344 31.082 29.700 0.063 0.000 1.134 1035 E HN 0.146 nan 8.360 nan 0.000 0.403 1036 T N 0.475 115.116 114.554 0.145 0.000 2.881 1036 T HA 0.694 5.043 4.350 -0.001 0.000 0.290 1036 T C -0.856 173.861 174.700 0.028 0.000 1.000 1036 T CA -0.648 61.546 62.100 0.158 0.000 0.978 1036 T CB 1.622 70.594 68.868 0.174 0.000 0.997 1036 T HN 0.517 nan 8.240 nan 0.000 0.443 1037 A N 1.865 124.704 122.820 0.033 0.000 2.527 1037 A HA 1.016 5.335 4.320 -0.001 0.000 0.293 1037 A C -1.130 176.364 177.584 -0.150 0.000 1.117 1037 A CA -0.932 51.027 52.037 -0.130 0.000 0.723 1037 A CB 1.541 20.408 19.000 -0.221 0.000 1.313 1037 A HN 1.133 nan 8.150 nan 0.000 0.411 1038 A N 0.013 122.650 122.820 -0.304 0.000 2.386 1038 A HA 0.824 5.144 4.320 -0.001 0.000 0.311 1038 A C -1.649 175.753 177.584 -0.304 0.000 1.068 1038 A CA -0.350 51.625 52.037 -0.104 0.000 0.743 1038 A CB 0.830 19.811 19.000 -0.031 0.000 1.258 1038 A HN 0.871 nan 8.150 nan 0.000 0.429 1039 Y N -0.071 120.446 120.300 0.362 0.000 2.545 1039 Y HA 0.595 5.144 4.550 -0.001 0.000 0.348 1039 Y C -0.259 175.809 175.900 0.280 0.000 1.002 1039 Y CA -0.908 57.357 58.100 0.275 0.000 1.039 1039 Y CB 2.511 41.097 38.460 0.210 0.000 1.271 1039 Y HN 0.430 nan 8.280 nan 0.000 0.467 1040 V N 2.177 122.287 119.914 0.328 0.000 2.531 1040 V HA 0.504 4.624 4.120 -0.001 0.000 0.301 1040 V C -0.713 175.461 176.094 0.133 0.000 1.034 1040 V CA -0.970 61.415 62.300 0.143 0.000 0.865 1040 V CB 1.796 33.638 31.823 0.032 0.000 0.995 1040 V HN 0.825 nan 8.190 nan 0.000 0.424 1041 S N 3.277 119.059 115.700 0.138 0.000 2.489 1041 S HA 0.724 5.193 4.470 -0.001 0.000 0.291 1041 S C -0.239 174.275 174.600 -0.143 0.000 1.151 1041 S CA -0.601 57.604 58.200 0.007 0.000 1.082 1041 S CB 1.596 64.874 63.200 0.130 0.000 1.019 1041 S HN 0.564 nan 8.310 nan 0.000 0.492 1042 S N 2.441 117.929 115.700 -0.354 0.000 2.472 1042 S HA 0.535 5.005 4.470 -0.001 0.000 0.303 1042 S C -0.884 173.352 174.600 -0.606 0.000 1.099 1042 S CA -0.768 57.254 58.200 -0.297 0.000 1.077 1042 S CB 0.493 63.605 63.200 -0.148 0.000 1.031 1042 S HN 0.787 nan 8.310 nan 0.000 0.487 1043 H N 0.576 119.633 119.070 -0.022 0.000 2.759 1043 H HA 0.342 4.897 4.556 -0.001 0.000 0.354 1043 H C -0.765 174.556 175.328 -0.011 0.000 1.074 1043 H CA -0.596 55.442 56.048 -0.017 0.000 1.226 1043 H CB 1.658 31.413 29.762 -0.013 0.000 1.648 1043 H HN 0.444 nan 8.280 nan 0.000 0.529 1044 S N 2.039 117.788 115.700 0.082 0.000 2.531 1044 S HA 0.270 4.740 4.470 -0.001 0.000 0.279 1044 S C 0.575 175.214 174.600 0.065 0.000 1.305 1044 S CA -0.336 57.896 58.200 0.054 0.000 1.058 1044 S CB 0.643 63.862 63.200 0.032 0.000 0.899 1044 S HN 0.750 nan 8.310 nan 0.000 0.493 1045 S N 0.000 115.727 115.700 0.046 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.221 58.200 0.036 0.000 1.107 1045 S CB 0.000 63.220 63.200 0.033 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517