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 2ow7_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 0.000 176.011 176.000 0.018 0.000 1.003 30 Q CA 0.000 55.811 55.803 0.013 0.000 1.022 30 Q CB 0.000 28.742 28.738 0.006 0.000 1.108 31 c N 3.014 121.621 118.600 0.010 0.000 2.601 31 c HA 0.582 5.152 4.570 -0.001 0.000 0.409 31 c C 0.675 174.779 174.090 0.023 0.000 1.293 31 c CA -0.376 55.961 56.329 0.013 0.000 2.101 31 c CB 0.302 42.806 42.510 -0.011 0.000 2.639 31 c HN 0.708 nan 8.230 nan 0.000 0.592 32 Q N 1.636 121.465 119.800 0.049 0.000 2.392 32 Q HA 0.068 4.407 4.340 -0.001 0.000 0.262 32 Q C 0.005 176.033 176.000 0.048 0.000 1.003 32 Q CA 0.278 56.124 55.803 0.071 0.000 0.888 32 Q CB 0.553 29.372 28.738 0.135 0.000 1.260 32 Q HN 0.642 nan 8.270 nan 0.000 0.435 33 D N 1.583 122.012 120.400 0.048 0.000 2.317 33 D HA 0.048 4.687 4.640 -0.001 0.000 0.252 33 D C 0.483 176.822 176.300 0.065 0.000 1.174 33 D CA -0.137 53.872 54.000 0.016 0.000 0.866 33 D CB 1.319 42.132 40.800 0.021 0.000 1.127 33 D HN 0.399 nan 8.370 nan 0.000 0.467 34 V N 2.273 122.172 119.914 -0.025 0.000 3.596 34 V HA 0.088 4.208 4.120 -0.001 0.000 0.289 34 V C 1.013 177.138 176.094 0.052 0.000 1.336 34 V CA 0.134 62.471 62.300 0.061 0.000 1.137 34 V CB 0.250 31.935 31.823 -0.230 0.000 0.966 34 V HN 0.397 nan 8.190 nan 0.000 0.428 35 V N -0.058 119.814 119.914 -0.070 0.000 2.854 35 V HA 0.104 4.223 4.120 -0.001 0.000 0.236 35 V C 2.292 178.351 176.094 -0.058 0.000 1.157 35 V CA 1.226 63.435 62.300 -0.151 0.000 1.187 35 V CB 0.049 31.747 31.823 -0.209 0.000 0.949 35 V HN 0.459 nan 8.190 nan 0.000 0.488 36 Q N -0.210 119.609 119.800 0.031 0.000 2.384 36 Q HA 0.114 4.454 4.340 -0.001 0.000 0.207 36 Q C -0.498 175.585 176.000 0.139 0.000 0.904 36 Q CA 0.340 56.183 55.803 0.068 0.000 0.933 36 Q CB 0.566 29.321 28.738 0.028 0.000 1.077 36 Q HN 0.515 nan 8.270 nan 0.000 0.522 37 D N 1.007 121.523 120.400 0.194 0.000 2.381 37 D HA 0.176 4.816 4.640 -0.001 0.000 0.235 37 D C -0.707 175.723 176.300 0.217 0.000 1.068 37 D CA -0.292 53.810 54.000 0.170 0.000 0.832 37 D CB 2.276 43.151 40.800 0.126 0.000 1.101 37 D HN -0.179 nan 8.370 nan 0.000 0.515 38 V N 4.548 124.554 119.914 0.154 0.000 2.446 38 V HA 0.118 4.237 4.120 -0.001 0.000 0.276 38 V C -1.837 174.238 176.094 -0.032 0.000 1.030 38 V CA -1.078 61.228 62.300 0.011 0.000 1.033 38 V CB 0.358 32.195 31.823 0.023 0.000 0.993 38 V HN 0.325 nan 8.190 nan 0.000 0.477 39 P HA 0.081 nan 4.420 nan 0.000 0.266 39 P C -0.440 176.832 177.300 -0.047 0.000 1.195 39 P CA -0.121 62.949 63.100 -0.051 0.000 0.768 39 P CB 0.343 31.997 31.700 -0.077 0.000 0.838 40 N N 2.506 121.194 118.700 -0.020 0.000 2.439 40 N HA 0.351 5.090 4.740 -0.001 0.000 0.249 40 N C -1.073 174.428 175.510 -0.014 0.000 1.003 40 N CA -0.401 52.640 53.050 -0.016 0.000 0.942 40 N CB 0.173 38.660 38.487 -0.001 0.000 1.115 40 N HN 0.131 nan 8.380 nan 0.000 0.505 41 V N 0.436 120.335 119.914 -0.026 0.000 3.001 41 V HA 0.537 4.657 4.120 -0.001 0.000 0.314 41 V C 0.589 176.668 176.094 -0.025 0.000 1.099 41 V CA -0.749 61.539 62.300 -0.021 0.000 0.989 41 V CB 2.052 33.851 31.823 -0.040 0.000 1.040 41 V HN 0.385 nan 8.190 nan 0.000 0.434 42 D N 0.912 121.304 120.400 -0.014 0.000 2.144 42 D HA 0.009 4.648 4.640 -0.001 0.000 0.200 42 D C 0.493 176.763 176.300 -0.051 0.000 0.978 42 D CA 1.729 55.718 54.000 -0.018 0.000 0.833 42 D CB 0.394 41.200 40.800 0.010 0.000 0.961 42 D HN 0.430 nan 8.370 nan 0.000 0.470 43 V N 1.325 121.186 119.914 -0.088 0.000 2.569 43 V HA 0.203 4.322 4.120 -0.001 0.000 0.301 43 V C -0.463 175.536 176.094 -0.159 0.000 1.044 43 V CA -0.777 61.442 62.300 -0.135 0.000 0.874 43 V CB 2.460 34.159 31.823 -0.207 0.000 1.002 43 V HN -0.087 nan 8.190 nan 0.000 0.424 44 Q N 4.630 124.350 119.800 -0.135 0.000 2.341 44 Q HA 0.439 4.778 4.340 -0.001 0.000 0.268 44 Q C 0.415 176.321 176.000 -0.158 0.000 1.013 44 Q CA -0.689 55.026 55.803 -0.146 0.000 0.798 44 Q CB 1.867 30.539 28.738 -0.110 0.000 1.253 44 Q HN 0.682 nan 8.270 nan 0.000 0.457 45 M N 3.057 122.517 119.600 -0.234 0.000 2.213 45 M HA -0.162 4.318 4.480 -0.001 0.000 0.263 45 M C 1.605 177.812 176.300 -0.155 0.000 1.062 45 M CA 0.990 56.145 55.300 -0.243 0.000 1.105 45 M CB -0.807 31.513 32.600 -0.466 0.000 1.385 45 M HN 0.580 nan 8.290 nan 0.000 0.417 46 L N 0.678 121.795 121.223 -0.176 0.000 2.056 46 L HA -0.132 4.208 4.340 -0.001 0.000 0.207 46 L C 2.459 179.322 176.870 -0.013 0.000 1.078 46 L CA 1.810 56.574 54.840 -0.125 0.000 0.749 46 L CB -0.668 41.288 42.059 -0.171 0.000 0.901 46 L HN 0.270 nan 8.230 nan 0.000 0.433 47 E N -0.398 119.780 120.200 -0.036 0.000 2.110 47 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 47 E C 2.174 178.790 176.600 0.026 0.000 0.988 47 E CA 1.465 57.859 56.400 -0.010 0.000 0.804 47 E CB -0.233 29.447 29.700 -0.034 0.000 0.745 47 E HN 0.460 nan 8.360 nan 0.000 0.458 48 L N 0.282 121.525 121.223 0.034 0.000 2.056 48 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 48 L C 2.224 179.175 176.870 0.135 0.000 1.078 48 L CA 1.576 56.444 54.840 0.047 0.000 0.749 48 L CB -0.930 41.145 42.059 0.026 0.000 0.901 48 L HN 0.086 nan 8.230 nan 0.000 0.433 49 Y N 0.102 120.414 120.300 0.021 0.000 2.207 49 Y HA -0.269 4.280 4.550 -0.001 0.000 0.287 49 Y C 2.531 178.525 175.900 0.157 0.000 1.156 49 Y CA 1.836 60.033 58.100 0.162 0.000 1.182 49 Y CB -0.589 37.952 38.460 0.134 0.000 0.979 49 Y HN 0.379 nan 8.280 nan 0.000 0.521 50 D N -0.686 119.822 120.400 0.181 0.000 2.144 50 D HA -0.104 4.536 4.640 -0.001 0.000 0.200 50 D C 2.059 178.400 176.300 0.068 0.000 0.978 50 D CA 1.245 55.306 54.000 0.102 0.000 0.833 50 D CB 0.064 40.898 40.800 0.056 0.000 0.961 50 D HN 0.223 nan 8.370 nan 0.000 0.470 51 R N -1.112 119.412 120.500 0.040 0.000 2.140 51 R HA 0.213 4.552 4.340 -0.001 0.000 0.213 51 R C 0.902 177.183 176.300 -0.031 0.000 1.059 51 R CA 0.051 56.151 56.100 -0.000 0.000 1.000 51 R CB 0.129 30.416 30.300 -0.021 0.000 0.910 51 R HN 0.204 nan 8.270 nan 0.000 0.455 52 M N 0.011 119.566 119.600 -0.076 0.000 2.226 52 M HA -0.043 4.437 4.480 -0.001 0.000 0.324 52 M C 1.590 177.783 176.300 -0.178 0.000 1.112 52 M CA 0.283 55.440 55.300 -0.238 0.000 1.176 52 M CB 1.387 33.647 32.600 -0.566 0.000 1.430 52 M HN 0.027 nan 8.290 nan 0.000 0.462 53 S N 1.362 116.927 115.700 -0.225 0.000 2.421 53 S HA -0.005 4.465 4.470 -0.001 0.000 0.224 53 S C 0.791 175.469 174.600 0.129 0.000 1.035 53 S CA 0.529 58.703 58.200 -0.043 0.000 0.953 53 S CB -0.116 63.054 63.200 -0.050 0.000 0.810 53 S HN 0.738 nan 8.310 nan 0.000 0.497 54 F N 0.131 120.009 119.950 -0.119 0.000 2.914 54 F HA -0.140 4.387 4.527 -0.001 0.000 0.304 54 F C 0.245 176.061 175.800 0.028 0.000 0.712 54 F CA 0.585 58.528 58.000 -0.096 0.000 1.211 54 F CB -1.872 37.052 39.000 -0.128 0.000 1.515 54 F HN 0.132 nan 8.300 nan 0.000 0.350 55 K N 1.382 121.864 120.400 0.137 0.000 2.350 55 K HA 0.168 4.488 4.320 -0.001 0.000 0.279 55 K C 0.223 176.929 176.600 0.177 0.000 1.027 55 K CA -0.096 56.276 56.287 0.142 0.000 0.969 55 K CB 0.549 33.094 32.500 0.076 0.000 0.954 55 K HN 0.057 nan 8.250 nan 0.000 0.474 56 D N 3.210 123.731 120.400 0.201 0.000 2.564 56 D HA 0.168 4.808 4.640 -0.001 0.000 0.226 56 D C -0.409 175.940 176.300 0.081 0.000 1.149 56 D CA -0.550 53.578 54.000 0.213 0.000 0.994 56 D CB -0.636 40.295 40.800 0.220 0.000 1.029 56 D HN 0.449 nan 8.370 nan 0.000 0.517 57 I N -1.004 119.602 120.570 0.060 0.000 2.498 57 I HA 0.463 4.633 4.170 -0.001 0.000 0.301 57 I C 0.050 176.158 176.117 -0.014 0.000 0.984 57 I CA -0.840 60.471 61.300 0.018 0.000 1.204 57 I CB 1.421 39.431 38.000 0.017 0.000 1.362 57 I HN -0.121 nan 8.210 nan 0.000 0.471 58 D N 4.386 124.775 120.400 -0.019 0.000 2.363 58 D HA 0.146 4.785 4.640 -0.001 0.000 0.263 58 D C 1.023 177.308 176.300 -0.025 0.000 1.258 58 D CA 0.262 54.245 54.000 -0.030 0.000 0.907 58 D CB 1.479 42.269 40.800 -0.017 0.000 1.107 58 D HN 0.869 nan 8.370 nan 0.000 0.495 59 G N 2.443 111.210 108.800 -0.055 0.000 2.985 59 G HA2 0.400 4.359 3.960 -0.001 0.000 0.209 59 G HA3 0.400 4.359 3.960 -0.001 0.000 0.209 59 G C 0.899 175.798 174.900 -0.001 0.000 1.165 59 G CA 0.435 45.504 45.100 -0.051 0.000 0.776 59 G HN 0.903 nan 8.290 nan 0.000 0.541 60 G N -0.596 108.209 108.800 0.007 0.000 2.464 60 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.216 60 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.216 60 G C 1.211 176.132 174.900 0.035 0.000 1.186 60 G CA 0.746 45.863 45.100 0.029 0.000 1.010 60 G HN 1.129 nan 8.290 nan 0.000 0.585 61 V N -3.451 116.483 119.914 0.034 0.000 2.392 61 V HA 0.038 4.157 4.120 -0.001 0.000 0.249 61 V C 1.532 177.651 176.094 0.042 0.000 1.059 61 V CA 2.468 64.771 62.300 0.004 0.000 1.051 61 V CB -0.632 31.159 31.823 -0.053 0.000 0.658 61 V HN 1.470 nan 8.190 nan 0.000 0.455 62 W N 2.743 123.948 121.300 -0.159 0.000 2.430 62 W HA 0.397 5.057 4.660 -0.001 0.000 0.380 62 W C 1.259 177.737 176.519 -0.069 0.000 1.045 62 W CA -1.597 55.649 57.345 -0.165 0.000 1.547 62 W CB -0.053 29.277 29.460 -0.216 0.000 1.554 62 W HN 0.094 nan 8.180 nan 0.000 0.378 63 K N 2.577 123.063 120.400 0.143 0.000 2.103 63 K HA -0.207 4.113 4.320 -0.001 0.000 0.207 63 K C 0.883 177.399 176.600 -0.140 0.000 1.048 63 K CA 1.606 57.882 56.287 -0.018 0.000 0.930 63 K CB 0.084 32.564 32.500 -0.034 0.000 0.716 63 K HN 0.551 nan 8.250 nan 0.000 0.444 64 Q N -0.785 118.891 119.800 -0.207 0.000 2.188 64 Q HA 0.162 4.502 4.340 -0.001 0.000 0.212 64 Q C 0.793 176.428 176.000 -0.609 0.000 0.846 64 Q CA -0.311 55.351 55.803 -0.235 0.000 0.989 64 Q CB 1.297 30.044 28.738 0.016 0.000 1.114 64 Q HN 0.246 nan 8.270 nan 0.000 0.488 65 G N 0.522 108.535 108.800 -1.312 0.000 3.364 65 G HA2 0.518 4.477 3.960 -0.001 0.000 0.191 65 G HA3 0.518 4.477 3.960 -0.001 0.000 0.191 65 G C -1.452 173.132 174.900 -0.527 0.000 1.352 65 G CA -0.261 43.828 45.100 -1.686 0.000 0.758 65 G HN 0.357 nan 8.290 nan 0.000 0.730 66 W N -1.187 119.789 121.300 -0.541 0.000 2.959 66 W HA 0.640 5.300 4.660 -0.000 0.000 0.358 66 W C -1.541 175.060 176.519 0.136 0.000 1.228 66 W CA -1.161 56.116 57.345 -0.113 0.000 1.183 66 W CB 0.596 30.006 29.460 -0.084 0.000 1.467 66 W HN 0.192 nan 8.180 nan 0.000 0.578 67 N N 2.161 121.015 118.700 0.257 0.000 2.399 67 N HA 0.223 4.963 4.740 -0.001 0.000 0.259 67 N C -0.276 175.384 175.510 0.250 0.000 1.160 67 N CA 0.041 53.200 53.050 0.181 0.000 0.946 67 N CB 0.371 38.963 38.487 0.175 0.000 1.156 67 N HN 0.403 nan 8.380 nan 0.000 0.489 68 I N 2.017 122.634 120.570 0.078 0.000 2.588 68 I HA 0.043 4.213 4.170 -0.001 0.000 0.283 68 I C 0.849 177.136 176.117 0.284 0.000 1.119 68 I CA 0.224 61.639 61.300 0.191 0.000 1.419 68 I CB 0.586 38.640 38.000 0.090 0.000 1.394 68 I HN 0.122 nan 8.210 nan 0.000 0.562 69 K N 6.005 126.610 120.400 0.342 0.000 2.259 69 K HA 0.552 4.871 4.320 -0.001 0.000 0.249 69 K C -1.379 175.397 176.600 0.294 0.000 0.942 69 K CA -0.716 55.706 56.287 0.224 0.000 0.816 69 K CB 2.385 34.977 32.500 0.153 0.000 1.155 69 K HN 0.470 nan 8.250 nan 0.000 0.428 70 Y N -1.787 118.603 120.300 0.150 0.000 2.581 70 Y HA 0.427 4.977 4.550 -0.001 0.000 0.345 70 Y C -0.941 175.027 175.900 0.114 0.000 1.036 70 Y CA -1.530 56.658 58.100 0.145 0.000 1.042 70 Y CB 1.148 39.715 38.460 0.178 0.000 1.289 70 Y HN 0.381 nan 8.280 nan 0.000 0.471 71 D N 3.008 123.545 120.400 0.228 0.000 2.347 71 D HA 0.330 4.969 4.640 -0.001 0.000 0.235 71 D C -1.904 174.544 176.300 0.247 0.000 1.149 71 D CA -2.589 51.490 54.000 0.133 0.000 0.850 71 D CB 1.578 42.430 40.800 0.086 0.000 1.061 71 D HN 0.377 nan 8.370 nan 0.000 0.487 72 P HA -0.096 nan 4.420 nan 0.000 0.218 72 P C 1.211 178.648 177.300 0.228 0.000 1.146 72 P CA 0.918 64.197 63.100 0.297 0.000 0.813 72 P CB 0.188 31.992 31.700 0.174 0.000 0.778 73 L N -1.138 120.167 121.223 0.136 0.000 2.599 73 L HA 0.067 4.406 4.340 -0.001 0.000 0.230 73 L C 2.358 179.262 176.870 0.057 0.000 1.141 73 L CA 0.460 55.357 54.840 0.094 0.000 0.877 73 L CB -0.654 41.439 42.059 0.056 0.000 1.009 73 L HN -0.041 nan 8.230 nan 0.000 0.447 74 K N 0.579 120.990 120.400 0.019 0.000 2.063 74 K HA -0.153 4.166 4.320 -0.001 0.000 0.208 74 K C -0.095 176.374 176.600 -0.218 0.000 1.048 74 K CA 1.264 57.450 56.287 -0.167 0.000 0.928 74 K CB 0.061 32.372 32.500 -0.316 0.000 0.713 74 K HN 0.085 nan 8.250 nan 0.000 0.442 75 Y N 0.960 121.379 120.300 0.198 0.000 2.320 75 Y HA 0.220 4.770 4.550 -0.000 0.000 0.334 75 Y C 0.058 176.036 175.900 0.129 0.000 1.055 75 Y CA -0.986 57.219 58.100 0.175 0.000 1.143 75 Y CB 1.198 39.723 38.460 0.110 0.000 1.193 75 Y HN 0.285 nan 8.280 nan 0.000 0.477 76 N N -0.427 118.424 118.700 0.252 0.000 3.364 76 N HA 0.528 5.268 4.740 -0.001 0.000 0.294 76 N C -0.037 175.517 175.510 0.075 0.000 1.562 76 N CA -0.461 52.664 53.050 0.125 0.000 0.862 76 N CB 0.366 38.897 38.487 0.073 0.000 1.691 76 N HN 0.396 nan 8.380 nan 0.000 0.572 77 A N -1.431 121.358 122.820 -0.051 0.000 2.070 77 A HA -0.115 4.205 4.320 -0.001 0.000 0.220 77 A C 0.857 178.418 177.584 -0.040 0.000 1.159 77 A CA 1.178 53.157 52.037 -0.097 0.000 0.656 77 A CB -0.988 17.898 19.000 -0.190 0.000 0.800 77 A HN 0.664 nan 8.150 nan 0.000 0.453 78 H N -2.431 116.697 119.070 0.097 0.000 2.553 78 H HA 0.148 4.703 4.556 -0.001 0.000 0.265 78 H C -0.316 175.117 175.328 0.175 0.000 0.964 78 H CA 0.771 56.882 56.048 0.105 0.000 1.156 78 H CB 0.047 29.859 29.762 0.084 0.000 1.411 78 H HN 0.703 nan 8.280 nan 0.000 0.558 79 H N 0.346 119.521 119.070 0.175 0.000 2.852 79 H HA 0.308 4.864 4.556 -0.000 0.000 0.274 79 H C -0.737 174.743 175.328 0.253 0.000 1.321 79 H CA -0.467 55.690 56.048 0.181 0.000 1.582 79 H CB 0.202 30.051 29.762 0.146 0.000 1.699 79 H HN -0.067 nan 8.280 nan 0.000 0.546 80 K N 2.400 122.776 120.400 -0.040 0.000 2.098 80 K HA 0.292 4.612 4.320 -0.001 0.000 0.261 80 K C -0.681 175.759 176.600 -0.267 0.000 0.987 80 K CA -1.232 55.009 56.287 -0.076 0.000 0.916 80 K CB 1.705 34.151 32.500 -0.090 0.000 1.039 80 K HN 0.240 nan 8.250 nan 0.000 0.455 81 L N 3.091 124.018 121.223 -0.493 0.000 2.313 81 L HA 0.133 4.473 4.340 -0.001 0.000 0.282 81 L C -0.858 175.745 176.870 -0.446 0.000 1.092 81 L CA 0.185 54.616 54.840 -0.681 0.000 0.831 81 L CB 0.215 41.647 42.059 -1.044 0.000 1.159 81 L HN 0.305 nan 8.230 nan 0.000 0.442 82 K N 5.144 125.308 120.400 -0.393 0.000 2.240 82 K HA 0.484 4.804 4.320 -0.001 0.000 0.271 82 K C -1.082 175.167 176.600 -0.585 0.000 1.018 82 K CA -0.442 55.565 56.287 -0.468 0.000 0.874 82 K CB 1.670 33.947 32.500 -0.372 0.000 1.098 82 K HN 0.376 nan 8.250 nan 0.000 0.458 83 V N 4.474 123.927 119.914 -0.770 0.000 2.448 83 V HA 0.429 4.549 4.120 -0.001 0.000 0.295 83 V C -0.752 174.790 176.094 -0.921 0.000 1.025 83 V CA -0.829 60.975 62.300 -0.826 0.000 0.859 83 V CB 0.792 31.941 31.823 -1.123 0.000 0.988 83 V HN 0.474 nan 8.190 nan 0.000 0.431 84 F N 3.663 123.350 119.950 -0.439 0.000 2.375 84 F HA 0.513 5.039 4.527 -0.001 0.000 0.361 84 F C 0.151 175.756 175.800 -0.325 0.000 1.117 84 F CA -0.731 57.067 58.000 -0.336 0.000 1.037 84 F CB 1.801 40.675 39.000 -0.210 0.000 1.192 84 F HN 0.182 nan 8.300 nan 0.000 0.452 85 V N 5.032 124.904 119.914 -0.071 0.000 2.385 85 V HA 0.293 4.412 4.120 -0.001 0.000 0.269 85 V C -0.185 176.007 176.094 0.164 0.000 1.043 85 V CA -0.623 61.703 62.300 0.043 0.000 0.906 85 V CB 1.229 33.161 31.823 0.181 0.000 0.995 85 V HN 0.441 nan 8.190 nan 0.000 0.467 86 V N 8.355 128.310 119.914 0.068 0.000 2.257 86 V HA 0.300 4.419 4.120 -0.001 0.000 0.269 86 V C -2.345 173.765 176.094 0.027 0.000 1.040 86 V CA -1.885 60.414 62.300 -0.003 0.000 0.813 86 V CB 1.325 33.052 31.823 -0.160 0.000 1.065 86 V HN 0.724 nan 8.190 nan 0.000 0.457 87 P HA 0.288 nan 4.420 nan 0.000 0.268 87 P C -0.781 176.467 177.300 -0.086 0.000 1.204 87 P CA 0.328 63.374 63.100 -0.091 0.000 0.768 87 P CB 0.338 31.793 31.700 -0.408 0.000 0.842 88 H N -1.018 118.010 119.070 -0.069 0.000 2.990 88 H HA 0.810 5.365 4.556 -0.001 0.000 0.336 88 H C -1.470 173.950 175.328 0.153 0.000 1.306 88 H CA -1.139 54.771 56.048 -0.230 0.000 1.118 88 H CB 1.042 30.627 29.762 -0.297 0.000 1.856 88 H HN 0.207 nan 8.280 nan 0.000 0.538 89 S N 0.583 116.272 115.700 -0.019 0.000 2.706 89 S HA 0.195 4.664 4.470 -0.001 0.000 0.270 89 S C -1.942 172.574 174.600 -0.141 0.000 1.163 89 S CA -0.665 57.586 58.200 0.084 0.000 1.042 89 S CB 0.166 63.623 63.200 0.429 0.000 1.079 89 S HN 0.860 nan 8.310 nan 0.000 0.474 90 H N 4.462 123.412 119.070 -0.199 0.000 2.934 90 H HA 0.422 4.977 4.556 -0.001 0.000 0.273 90 H C -0.078 174.829 175.328 -0.702 0.000 1.121 90 H CA 0.210 56.057 56.048 -0.335 0.000 1.451 90 H CB 0.181 29.778 29.762 -0.275 0.000 1.469 90 H HN 0.554 nan 8.280 nan 0.000 0.476 91 N N 5.556 123.590 118.700 -1.109 0.000 2.501 91 N HA 0.051 4.791 4.740 -0.001 0.000 0.245 91 N C -1.094 173.960 175.510 -0.760 0.000 0.974 91 N CA -0.600 51.672 53.050 -1.296 0.000 0.941 91 N CB 0.997 38.994 38.487 -0.817 0.000 1.122 91 N HN 0.643 nan 8.380 nan 0.000 0.507 92 D N 2.796 122.837 120.400 -0.597 0.000 2.343 92 D HA 0.114 4.754 4.640 -0.001 0.000 0.255 92 D C -2.104 174.276 176.300 0.132 0.000 1.187 92 D CA -1.015 52.882 54.000 -0.171 0.000 0.875 92 D CB 1.398 42.367 40.800 0.282 0.000 1.136 92 D HN 0.193 nan 8.370 nan 0.000 0.469 93 P HA 0.196 nan 4.420 nan 0.000 0.241 93 P C -0.006 177.531 177.300 0.395 0.000 1.760 93 P CA 0.020 63.156 63.100 0.059 0.000 1.081 93 P CB 0.200 31.780 31.700 -0.199 0.000 1.975 94 G N 0.811 110.022 108.800 0.685 0.000 3.055 94 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.686 94 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.686 94 G C -1.031 174.422 174.900 0.922 0.000 1.087 94 G CA -0.612 44.910 45.100 0.703 0.000 0.779 94 G HN 0.390 nan 8.290 nan 0.000 0.599 95 W N 2.521 124.177 121.300 0.594 0.000 4.491 95 W HA 0.296 4.956 4.660 -0.001 0.000 0.161 95 W C 1.035 177.732 176.519 0.296 0.000 3.471 95 W CA 0.879 58.528 57.345 0.508 0.000 1.147 95 W CB -0.784 29.064 29.460 0.646 0.000 2.109 95 W HN 0.505 nan 8.180 nan 0.000 0.361 96 I N 1.958 122.518 120.570 -0.017 0.000 2.876 96 I HA 0.107 4.277 4.170 -0.001 0.000 0.264 96 I C 0.345 176.324 176.117 -0.230 0.000 1.204 96 I CA 1.190 62.297 61.300 -0.321 0.000 1.485 96 I CB -1.211 36.594 38.000 -0.325 0.000 1.103 96 I HN 0.116 nan 8.210 nan 0.000 0.446 97 Q N -0.246 119.295 119.800 -0.431 0.000 2.484 97 Q HA 0.366 4.705 4.340 -0.001 0.000 0.285 97 Q C 0.064 175.856 176.000 -0.346 0.000 1.097 97 Q CA -0.653 54.839 55.803 -0.518 0.000 0.802 97 Q CB 2.160 30.310 28.738 -0.980 0.000 1.444 97 Q HN 0.226 nan 8.270 nan 0.000 0.429 98 T N -2.058 112.394 114.554 -0.171 0.000 2.813 98 T HA 0.114 4.463 4.350 -0.001 0.000 0.297 98 T C 0.846 175.655 174.700 0.182 0.000 1.036 98 T CA -0.460 61.615 62.100 -0.041 0.000 1.044 98 T CB 0.312 69.179 68.868 -0.002 0.000 0.993 98 T HN 0.567 nan 8.240 nan 0.000 0.535 99 F N 1.365 121.405 119.950 0.149 0.000 2.048 99 F HA -0.237 4.289 4.527 -0.001 0.000 0.296 99 F C 2.421 178.415 175.800 0.324 0.000 1.109 99 F CA 2.618 60.770 58.000 0.253 0.000 1.214 99 F CB -0.392 38.659 39.000 0.084 0.000 0.963 99 F HN 0.794 nan 8.300 nan 0.000 0.491 100 E N 0.203 120.584 120.200 0.301 0.000 2.107 100 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 100 E C 2.011 178.647 176.600 0.059 0.000 0.982 100 E CA 1.650 58.177 56.400 0.211 0.000 0.809 100 E CB -0.280 29.559 29.700 0.232 0.000 0.756 100 E HN 0.624 nan 8.360 nan 0.000 0.459 101 E N -0.870 119.305 120.200 -0.042 0.000 2.031 101 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 101 E C 1.894 178.285 176.600 -0.348 0.000 0.994 101 E CA 1.359 57.566 56.400 -0.322 0.000 0.800 101 E CB -0.314 29.256 29.700 -0.217 0.000 0.752 101 E HN 0.319 nan 8.360 nan 0.000 0.447 102 Y N -0.358 119.890 120.300 -0.087 0.000 2.165 102 Y HA -0.280 4.269 4.550 -0.001 0.000 0.286 102 Y C 2.264 178.103 175.900 -0.102 0.000 1.155 102 Y CA 1.406 59.444 58.100 -0.102 0.000 1.164 102 Y CB -0.865 37.619 38.460 0.039 0.000 0.978 102 Y HN 0.198 nan 8.280 nan 0.000 0.513 103 Y N 0.886 121.204 120.300 0.032 0.000 2.097 103 Y HA -0.314 4.235 4.550 -0.001 0.000 0.282 103 Y C 2.356 178.220 175.900 -0.059 0.000 1.152 103 Y CA 2.035 60.106 58.100 -0.048 0.000 1.136 103 Y CB -0.457 37.954 38.460 -0.081 0.000 0.975 103 Y HN 0.065 nan 8.280 nan 0.000 0.498 104 Q N -0.437 119.266 119.800 -0.162 0.000 2.084 104 Q HA -0.193 4.146 4.340 -0.001 0.000 0.202 104 Q C 2.174 178.141 176.000 -0.055 0.000 0.978 104 Q CA 2.327 58.009 55.803 -0.201 0.000 0.844 104 Q CB -0.680 27.980 28.738 -0.130 0.000 0.898 104 Q HN 0.784 nan 8.270 nan 0.000 0.426 105 H N -0.858 118.225 119.070 0.022 0.000 2.482 105 H HA 0.055 4.610 4.556 -0.001 0.000 0.286 105 H C 0.940 176.372 175.328 0.174 0.000 1.017 105 H CA 0.653 56.755 56.048 0.089 0.000 1.322 105 H CB 0.650 30.428 29.762 0.026 0.000 1.426 105 H HN 0.227 nan 8.280 nan 0.000 0.546 106 D N -1.078 119.438 120.400 0.194 0.000 3.081 106 D HA 0.015 4.655 4.640 -0.001 0.000 0.243 106 D C 1.611 177.984 176.300 0.121 0.000 1.388 106 D CA 0.498 54.612 54.000 0.191 0.000 1.245 106 D CB 0.097 40.937 40.800 0.067 0.000 1.319 106 D HN 0.063 nan 8.370 nan 0.000 0.377 107 T N 2.367 116.905 114.554 -0.026 0.000 2.904 107 T HA -0.103 4.247 4.350 -0.001 0.000 0.267 107 T C 1.941 176.474 174.700 -0.278 0.000 1.059 107 T CA 1.132 63.177 62.100 -0.092 0.000 1.137 107 T CB 0.023 68.679 68.868 -0.353 0.000 0.879 107 T HN 0.225 nan 8.240 nan 0.000 0.467 108 K N 0.908 120.930 120.400 -0.630 0.000 2.147 108 K HA -0.158 4.161 4.320 -0.001 0.000 0.205 108 K C 1.878 178.226 176.600 -0.420 0.000 1.049 108 K CA 1.391 57.301 56.287 -0.629 0.000 0.936 108 K CB -0.388 31.511 32.500 -1.002 0.000 0.722 108 K HN 0.383 nan 8.250 nan 0.000 0.446 109 H N 1.183 120.191 119.070 -0.103 0.000 2.363 109 H HA 0.028 4.583 4.556 -0.001 0.000 0.301 109 H C 2.325 177.665 175.328 0.020 0.000 1.074 109 H CA 1.489 57.534 56.048 -0.005 0.000 1.354 109 H CB -0.244 29.541 29.762 0.038 0.000 1.397 109 H HN 0.194 nan 8.280 nan 0.000 0.516 110 I N 0.702 121.358 120.570 0.143 0.000 2.163 110 I HA -0.266 3.904 4.170 -0.001 0.000 0.243 110 I C 2.463 178.590 176.117 0.017 0.000 1.085 110 I CA 1.127 62.554 61.300 0.212 0.000 1.347 110 I CB -0.273 37.915 38.000 0.313 0.000 1.044 110 I HN 0.089 nan 8.210 nan 0.000 0.408 111 L N -0.440 120.582 121.223 -0.334 0.000 2.156 111 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 111 L C 2.661 179.192 176.870 -0.564 0.000 1.095 111 L CA 0.880 55.289 54.840 -0.717 0.000 0.770 111 L CB -0.409 40.672 42.059 -1.629 0.000 0.914 111 L HN 0.154 nan 8.230 nan 0.000 0.439 112 S N 0.008 115.521 115.700 -0.311 0.000 2.368 112 S HA -0.130 4.339 4.470 -0.001 0.000 0.225 112 S C 1.716 176.298 174.600 -0.030 0.000 1.030 112 S CA 1.244 59.477 58.200 0.055 0.000 0.999 112 S CB -0.212 63.083 63.200 0.158 0.000 0.844 112 S HN 0.462 nan 8.310 nan 0.000 0.459 113 N N 1.677 120.350 118.700 -0.045 0.000 2.250 113 N HA 0.099 4.838 4.740 -0.001 0.000 0.181 113 N C 1.820 177.000 175.510 -0.549 0.000 1.017 113 N CA 1.038 54.002 53.050 -0.143 0.000 0.866 113 N CB -0.621 37.893 38.487 0.046 0.000 0.985 113 N HN 0.372 nan 8.380 nan 0.000 0.429 114 A N 1.564 124.109 122.820 -0.458 0.000 1.865 114 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 114 A C 2.214 179.520 177.584 -0.463 0.000 1.191 114 A CA 1.186 52.816 52.037 -0.677 0.000 0.623 114 A CB -0.881 17.970 19.000 -0.248 0.000 0.826 114 A HN 0.234 nan 8.150 nan 0.000 0.444 115 L N 0.190 121.282 121.223 -0.218 0.000 2.012 115 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 115 L C 2.512 179.299 176.870 -0.138 0.000 1.073 115 L CA 2.717 57.503 54.840 -0.089 0.000 0.748 115 L CB -0.740 41.336 42.059 0.028 0.000 0.891 115 L HN 0.538 nan 8.230 nan 0.000 0.431 116 R N -1.676 118.704 120.500 -0.200 0.000 2.070 116 R HA -0.189 4.151 4.340 -0.001 0.000 0.233 116 R C 2.365 178.477 176.300 -0.313 0.000 1.137 116 R CA 1.824 57.784 56.100 -0.233 0.000 0.945 116 R CB -0.588 29.561 30.300 -0.252 0.000 0.845 116 R HN 0.578 nan 8.270 nan 0.000 0.430 117 H N 0.475 119.242 119.070 -0.505 0.000 2.363 117 H HA -0.055 4.500 4.556 -0.001 0.000 0.301 117 H C 2.307 177.418 175.328 -0.361 0.000 1.074 117 H CA 1.681 57.419 56.048 -0.517 0.000 1.354 117 H CB 0.016 29.217 29.762 -0.936 0.000 1.397 117 H HN 0.236 nan 8.280 nan 0.000 0.516 118 L N -0.051 120.998 121.223 -0.291 0.000 2.046 118 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 118 L C 2.745 179.584 176.870 -0.052 0.000 1.077 118 L CA 1.257 56.017 54.840 -0.135 0.000 0.747 118 L CB -0.756 41.242 42.059 -0.102 0.000 0.896 118 L HN 0.396 nan 8.230 nan 0.000 0.432 119 H N 0.588 119.583 119.070 -0.124 0.000 2.353 119 H HA -0.204 4.351 4.556 -0.001 0.000 0.298 119 H C 1.310 176.593 175.328 -0.076 0.000 1.103 119 H CA 2.121 58.121 56.048 -0.080 0.000 1.293 119 H CB 0.213 29.925 29.762 -0.083 0.000 1.372 119 H HN 0.343 nan 8.280 nan 0.000 0.501 120 D N 0.042 120.418 120.400 -0.040 0.000 2.347 120 D HA -0.009 4.630 4.640 -0.001 0.000 0.213 120 D C -0.084 176.179 176.300 -0.063 0.000 0.985 120 D CA 0.476 54.438 54.000 -0.065 0.000 0.879 120 D CB -0.115 40.639 40.800 -0.077 0.000 0.919 120 D HN 0.390 nan 8.370 nan 0.000 0.526 121 N N 0.160 118.832 118.700 -0.047 0.000 2.762 121 N HA 0.182 4.922 4.740 -0.001 0.000 0.252 121 N C -2.225 173.295 175.510 0.016 0.000 1.269 121 N CA -1.054 52.002 53.050 0.011 0.000 0.799 121 N CB 2.251 40.776 38.487 0.063 0.000 1.173 121 N HN -0.195 nan 8.380 nan 0.000 0.516 122 P HA -0.133 nan 4.420 nan 0.000 0.222 122 P C 0.619 177.950 177.300 0.051 0.000 1.147 122 P CA 1.104 64.206 63.100 0.002 0.000 0.790 122 P CB 0.414 32.106 31.700 -0.013 0.000 0.780 123 E N -1.673 118.592 120.200 0.107 0.000 2.447 123 E HA 0.066 4.415 4.350 -0.001 0.000 0.195 123 E C 0.789 177.543 176.600 0.258 0.000 1.028 123 E CA 0.041 56.549 56.400 0.179 0.000 0.876 123 E CB -0.302 29.531 29.700 0.223 0.000 0.885 123 E HN 0.249 nan 8.360 nan 0.000 0.500 124 M N 1.712 121.404 119.600 0.153 0.000 2.243 124 M HA 0.106 4.586 4.480 -0.001 0.000 0.341 124 M C -0.357 175.937 176.300 -0.010 0.000 1.130 124 M CA 0.176 55.458 55.300 -0.030 0.000 1.162 124 M CB 0.446 33.011 32.600 -0.059 0.000 1.497 124 M HN -0.356 nan 8.290 nan 0.000 0.456 125 K N 3.239 123.596 120.400 -0.073 0.000 2.444 125 K HA 0.663 4.983 4.320 -0.001 0.000 0.252 125 K C -1.739 174.891 176.600 0.050 0.000 0.993 125 K CA -0.473 55.822 56.287 0.014 0.000 0.847 125 K CB 2.147 34.676 32.500 0.049 0.000 1.340 125 K HN 0.679 nan 8.250 nan 0.000 0.446 126 F N 1.315 121.169 119.950 -0.160 0.000 2.672 126 F HA 0.441 4.968 4.527 -0.001 0.000 0.311 126 F C -1.562 174.119 175.800 -0.198 0.000 1.113 126 F CA -1.203 56.684 58.000 -0.188 0.000 0.996 126 F CB 0.985 39.957 39.000 -0.048 0.000 1.286 126 F HN 0.453 nan 8.300 nan 0.000 0.441 127 I N 1.929 122.103 120.570 -0.659 0.000 2.562 127 I HA 0.606 4.775 4.170 -0.001 0.000 0.301 127 I C -1.801 173.867 176.117 -0.747 0.000 1.003 127 I CA -0.611 60.297 61.300 -0.655 0.000 1.127 127 I CB 2.500 40.065 38.000 -0.725 0.000 1.304 127 I HN 0.718 nan 8.210 nan 0.000 0.446 128 W N 5.014 125.916 121.300 -0.662 0.000 2.830 128 W HA 0.619 5.278 4.660 -0.001 0.000 0.335 128 W C -0.656 175.780 176.519 -0.139 0.000 1.043 128 W CA -0.558 56.530 57.345 -0.428 0.000 1.239 128 W CB 2.619 31.887 29.460 -0.321 0.000 1.378 128 W HN 0.820 nan 8.180 nan 0.000 0.456 129 A N 3.696 126.108 122.820 -0.680 0.000 1.942 129 A HA 0.115 4.434 4.320 -0.001 0.000 0.209 129 A C 0.128 177.628 177.584 -0.139 0.000 1.214 129 A CA 0.669 52.557 52.037 -0.249 0.000 0.686 129 A CB -0.035 18.898 19.000 -0.113 0.000 0.871 129 A HN 0.515 nan 8.150 nan 0.000 0.460 130 E N 1.029 121.022 120.200 -0.345 0.000 2.001 130 E HA 0.292 4.642 4.350 -0.001 0.000 0.279 130 E C 0.517 177.231 176.600 0.190 0.000 1.045 130 E CA -0.273 56.102 56.400 -0.042 0.000 0.833 130 E CB 0.685 30.368 29.700 -0.027 0.000 1.077 130 E HN 0.293 nan 8.360 nan 0.000 0.397 131 I N 1.442 122.029 120.570 0.028 0.000 2.546 131 I HA -0.220 3.949 4.170 -0.001 0.000 0.255 131 I C 1.985 177.688 176.117 -0.690 0.000 1.163 131 I CA 0.967 62.198 61.300 -0.115 0.000 1.457 131 I CB -1.415 36.563 38.000 -0.036 0.000 1.092 131 I HN 0.417 nan 8.210 nan 0.000 0.434 132 S N 1.261 116.234 115.700 -1.211 0.000 2.372 132 S HA -0.281 4.188 4.470 -0.001 0.000 0.227 132 S C 2.140 176.430 174.600 -0.517 0.000 1.044 132 S CA 1.408 58.589 58.200 -1.699 0.000 1.050 132 S CB -1.111 61.209 63.200 -1.466 0.000 0.901 132 S HN 0.373 nan 8.310 nan 0.000 0.447 133 Y N 0.576 120.899 120.300 0.038 0.000 2.200 133 Y HA 0.134 4.683 4.550 -0.001 0.000 0.290 133 Y C 2.225 178.186 175.900 0.102 0.000 1.137 133 Y CA 0.439 58.661 58.100 0.204 0.000 1.163 133 Y CB -0.873 37.815 38.460 0.381 0.000 0.988 133 Y HN 0.339 nan 8.280 nan 0.000 0.518 134 F N -0.038 119.977 119.950 0.109 0.000 2.186 134 F HA -0.135 4.392 4.527 -0.001 0.000 0.299 134 F C 2.314 177.918 175.800 -0.327 0.000 1.090 134 F CA 1.134 59.072 58.000 -0.103 0.000 1.307 134 F CB -0.462 38.458 39.000 -0.134 0.000 1.019 134 F HN -0.020 nan 8.300 nan 0.000 0.489 135 A N 0.287 122.729 122.820 -0.630 0.000 1.877 135 A HA -0.213 4.106 4.320 -0.001 0.000 0.216 135 A C 2.164 179.629 177.584 -0.198 0.000 1.186 135 A CA 1.737 53.257 52.037 -0.861 0.000 0.620 135 A CB -0.788 17.564 19.000 -1.079 0.000 0.822 135 A HN 0.368 nan 8.150 nan 0.000 0.443 136 R N -0.974 119.450 120.500 -0.126 0.000 2.117 136 R HA -0.178 4.161 4.340 -0.001 0.000 0.243 136 R C 1.706 177.916 176.300 -0.150 0.000 1.143 136 R CA 2.224 58.245 56.100 -0.131 0.000 0.968 136 R CB -0.840 29.315 30.300 -0.242 0.000 0.863 136 R HN 0.531 nan 8.270 nan 0.000 0.444 137 F N -0.756 119.081 119.950 -0.188 0.000 2.179 137 F HA -0.029 4.497 4.527 -0.001 0.000 0.292 137 F C 1.894 177.606 175.800 -0.146 0.000 1.089 137 F CA 1.174 59.147 58.000 -0.045 0.000 1.295 137 F CB -0.706 38.230 39.000 -0.108 0.000 1.041 137 F HN 0.094 nan 8.300 nan 0.000 0.487 138 Y N 0.347 120.406 120.300 -0.402 0.000 2.274 138 Y HA -0.234 4.316 4.550 -0.001 0.000 0.290 138 Y C 2.432 178.090 175.900 -0.404 0.000 1.145 138 Y CA 2.130 59.958 58.100 -0.454 0.000 1.203 138 Y CB -0.618 37.677 38.460 -0.276 0.000 0.984 138 Y HN 0.160 nan 8.280 nan 0.000 0.533 139 H N -1.118 117.924 119.070 -0.047 0.000 2.551 139 H HA -0.008 4.547 4.556 -0.001 0.000 0.266 139 H C 0.777 176.000 175.328 -0.176 0.000 0.977 139 H CA 1.010 56.998 56.048 -0.099 0.000 1.163 139 H CB 0.080 29.845 29.762 0.005 0.000 1.381 139 H HN 0.439 nan 8.280 nan 0.000 0.581 140 D N 0.426 120.733 120.400 -0.155 0.000 2.340 140 D HA 0.064 4.704 4.640 -0.001 0.000 0.220 140 D C 0.629 176.745 176.300 -0.305 0.000 1.039 140 D CA 0.146 54.036 54.000 -0.183 0.000 0.866 140 D CB 0.411 41.144 40.800 -0.112 0.000 0.913 140 D HN 0.239 nan 8.370 nan 0.000 0.523 141 L N 0.468 121.417 121.223 -0.456 0.000 2.350 141 L HA 0.375 4.714 4.340 -0.001 0.000 0.275 141 L C 1.384 178.069 176.870 -0.308 0.000 1.099 141 L CA -0.717 53.850 54.840 -0.455 0.000 0.808 141 L CB 1.242 42.944 42.059 -0.594 0.000 1.149 141 L HN -0.069 nan 8.230 nan 0.000 0.442 142 G N 0.667 109.336 108.800 -0.218 0.000 2.634 142 G HA2 0.049 4.009 3.960 -0.001 0.000 0.255 142 G HA3 0.049 4.009 3.960 -0.001 0.000 0.255 142 G C 0.599 175.410 174.900 -0.149 0.000 1.205 142 G CA -0.253 44.758 45.100 -0.148 0.000 0.884 142 G HN 0.779 nan 8.290 nan 0.000 0.549 143 E N -0.117 120.026 120.200 -0.096 0.000 2.110 143 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 143 E C 2.174 178.742 176.600 -0.054 0.000 0.988 143 E CA 1.431 57.791 56.400 -0.068 0.000 0.804 143 E CB -0.134 29.550 29.700 -0.026 0.000 0.745 143 E HN 0.580 nan 8.360 nan 0.000 0.458 144 N N 0.423 119.090 118.700 -0.055 0.000 2.120 144 N HA -0.192 4.548 4.740 -0.001 0.000 0.188 144 N C 1.510 176.988 175.510 -0.053 0.000 1.024 144 N CA 1.287 54.310 53.050 -0.045 0.000 0.852 144 N CB 0.005 38.462 38.487 -0.049 0.000 1.003 144 N HN 0.119 nan 8.380 nan 0.000 0.424 145 K N 0.753 121.103 120.400 -0.083 0.000 2.148 145 K HA -0.051 4.269 4.320 -0.001 0.000 0.204 145 K C 2.040 178.614 176.600 -0.043 0.000 1.050 145 K CA 0.707 56.946 56.287 -0.081 0.000 0.942 145 K CB 0.026 32.455 32.500 -0.119 0.000 0.724 145 K HN 0.264 nan 8.250 nan 0.000 0.446 146 K N 0.910 121.251 120.400 -0.098 0.000 2.026 146 K HA -0.085 4.235 4.320 -0.001 0.000 0.208 146 K C 2.192 178.878 176.600 0.143 0.000 1.048 146 K CA 1.041 57.314 56.287 -0.023 0.000 0.929 146 K CB -0.142 32.253 32.500 -0.175 0.000 0.713 146 K HN 0.055 nan 8.250 nan 0.000 0.439 147 L N 1.183 122.453 121.223 0.078 0.000 2.012 147 L HA -0.268 4.072 4.340 -0.001 0.000 0.210 147 L C 2.590 179.525 176.870 0.110 0.000 1.073 147 L CA 1.462 56.359 54.840 0.096 0.000 0.748 147 L CB -0.505 41.587 42.059 0.056 0.000 0.891 147 L HN 0.291 nan 8.230 nan 0.000 0.431 148 Q N -0.952 118.892 119.800 0.073 0.000 2.135 148 Q HA -0.281 4.059 4.340 -0.001 0.000 0.204 148 Q C 2.195 178.286 176.000 0.151 0.000 0.981 148 Q CA 1.777 57.630 55.803 0.083 0.000 0.856 148 Q CB -0.237 28.472 28.738 -0.049 0.000 0.902 148 Q HN 0.378 nan 8.270 nan 0.000 0.425 149 M N 1.196 120.910 119.600 0.191 0.000 2.132 149 M HA -0.139 4.340 4.480 -0.001 0.000 0.263 149 M C 1.540 178.017 176.300 0.295 0.000 1.065 149 M CA 1.771 57.247 55.300 0.293 0.000 1.122 149 M CB 0.057 32.925 32.600 0.445 0.000 1.365 149 M HN -0.092 nan 8.290 nan 0.000 0.411 150 K N -0.405 120.163 120.400 0.280 0.000 2.209 150 K HA -0.099 4.220 4.320 -0.001 0.000 0.204 150 K C 2.043 178.739 176.600 0.159 0.000 1.048 150 K CA 1.555 57.977 56.287 0.225 0.000 0.940 150 K CB -0.386 32.232 32.500 0.197 0.000 0.729 150 K HN 0.589 nan 8.250 nan 0.000 0.451 151 S N 1.779 117.567 115.700 0.147 0.000 2.371 151 S HA -0.123 4.347 4.470 -0.001 0.000 0.224 151 S C 2.153 176.810 174.600 0.096 0.000 1.029 151 S CA 1.018 59.285 58.200 0.112 0.000 0.978 151 S CB -0.720 62.550 63.200 0.116 0.000 0.833 151 S HN 0.459 nan 8.310 nan 0.000 0.466 152 I N -0.101 120.537 120.570 0.113 0.000 2.614 152 I HA 0.026 4.195 4.170 -0.001 0.000 0.258 152 I C 1.987 178.134 176.117 0.049 0.000 1.189 152 I CA 0.667 62.012 61.300 0.075 0.000 1.462 152 I CB -0.506 37.542 38.000 0.079 0.000 1.092 152 I HN 0.145 nan 8.210 nan 0.000 0.442 153 V N 1.462 121.424 119.914 0.079 0.000 2.346 153 V HA -0.190 3.930 4.120 -0.001 0.000 0.244 153 V C 2.697 178.820 176.094 0.049 0.000 1.037 153 V CA 1.975 64.308 62.300 0.056 0.000 1.029 153 V CB -0.770 31.145 31.823 0.153 0.000 0.663 153 V HN 0.401 nan 8.190 nan 0.000 0.454 154 K N 1.465 121.904 120.400 0.066 0.000 2.113 154 K HA -0.236 4.083 4.320 -0.001 0.000 0.208 154 K C 1.705 178.320 176.600 0.025 0.000 1.047 154 K CA 1.938 58.252 56.287 0.046 0.000 0.928 154 K CB -0.183 32.346 32.500 0.050 0.000 0.716 154 K HN 0.686 nan 8.250 nan 0.000 0.446 155 N N -1.023 117.691 118.700 0.023 0.000 2.336 155 N HA 0.029 4.768 4.740 -0.001 0.000 0.189 155 N C 0.803 176.314 175.510 0.001 0.000 1.113 155 N CA 0.922 53.979 53.050 0.011 0.000 0.858 155 N CB 0.668 39.162 38.487 0.011 0.000 0.970 155 N HN 0.294 nan 8.380 nan 0.000 0.471 156 G N 0.071 108.867 108.800 -0.006 0.000 2.176 156 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.253 156 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.253 156 G C 0.802 175.682 174.900 -0.033 0.000 0.979 156 G CA 0.518 45.602 45.100 -0.026 0.000 0.641 156 G HN 0.454 nan 8.290 nan 0.000 0.530 157 Q N -0.973 118.816 119.800 -0.018 0.000 2.062 157 Q HA 0.264 4.603 4.340 -0.001 0.000 0.196 157 Q C 1.384 177.368 176.000 -0.026 0.000 0.967 157 Q CA 0.644 56.441 55.803 -0.009 0.000 0.832 157 Q CB 0.262 29.003 28.738 0.004 0.000 0.899 157 Q HN 0.521 nan 8.270 nan 0.000 0.442 158 L N 1.925 123.116 121.223 -0.055 0.000 2.257 158 L HA 0.284 4.624 4.340 -0.001 0.000 0.290 158 L C -0.872 175.805 176.870 -0.322 0.000 1.044 158 L CA -0.026 54.731 54.840 -0.138 0.000 0.810 158 L CB 1.071 43.060 42.059 -0.117 0.000 1.193 158 L HN 0.118 nan 8.230 nan 0.000 0.425 159 E N 4.463 124.432 120.200 -0.386 0.000 2.224 159 E HA 0.351 4.700 4.350 -0.001 0.000 0.265 159 E C -1.514 174.798 176.600 -0.481 0.000 0.878 159 E CA -0.740 55.439 56.400 -0.368 0.000 0.759 159 E CB 1.474 31.041 29.700 -0.222 0.000 1.164 159 E HN 0.388 nan 8.360 nan 0.000 0.414 160 F N 3.066 122.962 119.950 -0.089 0.000 2.412 160 F HA 0.236 4.762 4.527 -0.001 0.000 0.348 160 F C 0.298 176.061 175.800 -0.061 0.000 1.102 160 F CA -0.517 57.441 58.000 -0.070 0.000 1.196 160 F CB 1.230 40.202 39.000 -0.048 0.000 1.144 160 F HN 0.181 nan 8.300 nan 0.000 0.541 161 V N -0.190 119.782 119.914 0.096 0.000 2.555 161 V HA 0.648 4.767 4.120 -0.001 0.000 0.302 161 V C 0.265 176.485 176.094 0.210 0.000 1.038 161 V CA -0.538 61.816 62.300 0.090 0.000 0.887 161 V CB 0.924 32.694 31.823 -0.089 0.000 0.991 161 V HN 0.976 nan 8.190 nan 0.000 0.434 162 T N 3.078 117.832 114.554 0.334 0.000 12.971 162 T HA -0.317 4.033 4.350 -0.001 0.000 0.419 162 T C 1.726 176.656 174.700 0.383 0.000 1.442 162 T CA 3.048 65.393 62.100 0.408 0.000 2.370 162 T CB -1.684 67.318 68.868 0.223 0.000 2.822 162 T HN 2.805 nan 8.240 nan 0.000 0.691 163 G N 1.828 110.785 108.800 0.261 0.000 2.136 163 G HA2 0.123 4.083 3.960 -0.001 0.000 0.242 163 G HA3 0.123 4.083 3.960 -0.001 0.000 0.242 163 G C 0.300 175.333 174.900 0.222 0.000 0.989 163 G CA 0.540 45.767 45.100 0.211 0.000 0.682 163 G HN 1.558 nan 8.290 nan 0.000 0.522 164 G N -1.519 107.409 108.800 0.214 0.000 2.606 164 G HA2 0.345 4.304 3.960 -0.001 0.000 0.252 164 G HA3 0.345 4.304 3.960 -0.001 0.000 0.252 164 G C 1.005 176.068 174.900 0.271 0.000 1.206 164 G CA 0.226 45.463 45.100 0.228 0.000 0.861 164 G HN 0.353 nan 8.290 nan 0.000 0.561 165 W N 0.560 121.895 121.300 0.059 0.000 2.325 165 W HA -0.058 4.602 4.660 -0.001 0.000 0.299 165 W C 0.699 177.235 176.519 0.028 0.000 1.215 165 W CA 1.913 59.276 57.345 0.031 0.000 1.244 165 W CB 0.232 29.694 29.460 0.003 0.000 1.140 165 W HN 0.409 nan 8.180 nan 0.000 0.523 166 V N -2.804 117.220 119.914 0.184 0.000 3.156 166 V HA 0.489 4.609 4.120 -0.001 0.000 0.310 166 V C -0.434 175.737 176.094 0.130 0.000 1.234 166 V CA -1.281 61.072 62.300 0.089 0.000 1.065 166 V CB 1.745 33.641 31.823 0.122 0.000 1.088 166 V HN -0.057 nan 8.190 nan 0.000 0.451 167 M N 3.976 123.680 119.600 0.173 0.000 2.289 167 M HA 0.484 4.963 4.480 -0.001 0.000 0.354 167 M C -2.620 173.844 176.300 0.273 0.000 1.210 167 M CA -1.937 53.489 55.300 0.209 0.000 1.174 167 M CB 1.228 33.986 32.600 0.263 0.000 1.297 167 M HN 0.622 nan 8.290 nan 0.000 0.423 168 P HA 0.061 nan 4.420 nan 0.000 0.272 168 P C -0.828 176.495 177.300 0.040 0.000 1.223 168 P CA -0.115 63.042 63.100 0.096 0.000 0.784 168 P CB 0.463 32.203 31.700 0.067 0.000 0.923 169 D N 0.987 121.373 120.400 -0.022 0.000 2.478 169 D HA -0.098 4.541 4.640 -0.001 0.000 0.234 169 D C 0.742 177.061 176.300 0.031 0.000 1.154 169 D CA 0.736 54.706 54.000 -0.051 0.000 0.874 169 D CB 0.433 41.219 40.800 -0.024 0.000 1.198 169 D HN 0.320 nan 8.370 nan 0.000 0.455 170 E N 1.372 121.631 120.200 0.099 0.000 2.511 170 E HA 0.184 4.534 4.350 -0.001 0.000 0.209 170 E C 1.002 177.779 176.600 0.296 0.000 0.986 170 E CA 0.057 56.581 56.400 0.208 0.000 0.974 170 E CB 0.622 30.459 29.700 0.228 0.000 1.030 170 E HN 0.473 nan 8.360 nan 0.000 0.490 171 A N 1.675 124.616 122.820 0.202 0.000 1.871 171 A HA -0.014 4.306 4.320 -0.001 0.000 0.211 171 A C 1.849 179.313 177.584 -0.201 0.000 1.207 171 A CA 0.739 52.644 52.037 -0.219 0.000 0.620 171 A CB -0.040 18.798 19.000 -0.270 0.000 0.860 171 A HN 0.044 nan 8.150 nan 0.000 0.450 172 N N 0.590 119.263 118.700 -0.044 0.000 2.392 172 N HA 0.011 4.751 4.740 -0.001 0.000 0.177 172 N C 0.407 175.909 175.510 -0.013 0.000 1.066 172 N CA 0.742 53.765 53.050 -0.045 0.000 0.895 172 N CB 0.043 38.550 38.487 0.033 0.000 0.988 172 N HN 0.510 nan 8.380 nan 0.000 0.457 173 S N 0.590 116.293 115.700 0.005 0.000 2.564 173 S HA 0.051 4.521 4.470 -0.001 0.000 0.278 173 S C 0.018 174.636 174.600 0.030 0.000 1.333 173 S CA -0.575 57.641 58.200 0.026 0.000 1.048 173 S CB 1.221 64.440 63.200 0.031 0.000 0.900 173 S HN 0.202 nan 8.310 nan 0.000 0.505 174 H N 3.160 122.211 119.070 -0.032 0.000 2.582 174 H HA 0.042 4.597 4.556 -0.001 0.000 0.345 174 H C 1.213 176.509 175.328 -0.053 0.000 1.104 174 H CA -0.200 55.812 56.048 -0.059 0.000 1.390 174 H CB 0.537 30.213 29.762 -0.145 0.000 1.461 174 H HN 1.027 nan 8.280 nan 0.000 0.551 175 W N 5.786 126.997 121.300 -0.148 0.000 2.350 175 W HA -0.174 4.485 4.660 -0.001 0.000 0.289 175 W C 1.122 177.711 176.519 0.118 0.000 1.215 175 W CA 0.398 57.731 57.345 -0.019 0.000 1.236 175 W CB -0.520 28.873 29.460 -0.112 0.000 1.130 175 W HN 0.542 nan 8.180 nan 0.000 0.541 176 R N 0.766 120.836 120.500 -0.717 0.000 2.096 176 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 176 R C 1.991 178.113 176.300 -0.298 0.000 1.127 176 R CA 1.926 57.526 56.100 -0.833 0.000 0.968 176 R CB -0.375 29.400 30.300 -0.875 0.000 0.861 176 R HN 0.161 nan 8.270 nan 0.000 0.440 177 N N -0.329 118.288 118.700 -0.138 0.000 2.395 177 N HA -0.040 4.699 4.740 -0.001 0.000 0.175 177 N C 1.730 177.239 175.510 -0.001 0.000 1.029 177 N CA 0.603 53.616 53.050 -0.062 0.000 0.897 177 N CB 0.038 38.510 38.487 -0.024 0.000 0.991 177 N HN -0.018 nan 8.380 nan 0.000 0.441 178 V N 1.611 121.548 119.914 0.038 0.000 2.255 178 V HA -0.204 3.916 4.120 -0.001 0.000 0.247 178 V C 2.369 178.505 176.094 0.070 0.000 1.051 178 V CA 1.258 63.602 62.300 0.072 0.000 1.018 178 V CB -0.537 31.353 31.823 0.111 0.000 0.641 178 V HN 0.199 nan 8.190 nan 0.000 0.445 179 L N -0.425 120.850 121.223 0.086 0.000 2.046 179 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 179 L C 2.184 179.058 176.870 0.006 0.000 1.077 179 L CA 1.778 56.659 54.840 0.069 0.000 0.747 179 L CB -0.706 41.426 42.059 0.122 0.000 0.896 179 L HN 0.281 nan 8.230 nan 0.000 0.432 180 L N -0.010 121.194 121.223 -0.030 0.000 1.990 180 L HA -0.279 4.060 4.340 -0.001 0.000 0.213 180 L C 2.607 179.462 176.870 -0.025 0.000 1.072 180 L CA 2.516 57.327 54.840 -0.048 0.000 0.755 180 L CB -0.862 41.152 42.059 -0.075 0.000 0.889 180 L HN 0.696 nan 8.230 nan 0.000 0.432 181 Q N -1.220 118.589 119.800 0.014 0.000 2.172 181 Q HA -0.171 4.168 4.340 -0.001 0.000 0.200 181 Q C 2.008 178.091 176.000 0.137 0.000 0.964 181 Q CA 1.912 57.758 55.803 0.073 0.000 0.855 181 Q CB -1.140 27.674 28.738 0.126 0.000 0.918 181 Q HN 0.461 nan 8.270 nan 0.000 0.444 182 L N 0.854 122.141 121.223 0.105 0.000 2.017 182 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 182 L C 1.927 178.876 176.870 0.132 0.000 1.073 182 L CA 2.418 57.334 54.840 0.127 0.000 0.745 182 L CB -1.003 41.108 42.059 0.087 0.000 0.894 182 L HN 0.331 nan 8.230 nan 0.000 0.432 183 T N -1.026 113.571 114.554 0.072 0.000 2.821 183 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 183 T C 1.727 176.479 174.700 0.087 0.000 1.046 183 T CA 1.401 63.535 62.100 0.056 0.000 1.139 183 T CB -0.151 68.710 68.868 -0.012 0.000 0.871 183 T HN 0.319 nan 8.240 nan 0.000 0.454 184 E N 0.949 121.175 120.200 0.043 0.000 2.077 184 E HA -0.043 4.306 4.350 -0.001 0.000 0.193 184 E C 2.291 179.028 176.600 0.229 0.000 0.989 184 E CA 1.522 57.900 56.400 -0.038 0.000 0.800 184 E CB -0.795 28.686 29.700 -0.366 0.000 0.746 184 E HN 0.456 nan 8.360 nan 0.000 0.452 185 G N -0.211 108.826 108.800 0.395 0.000 2.395 185 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.214 185 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.214 185 G C 1.457 176.588 174.900 0.385 0.000 1.177 185 G CA 0.513 45.941 45.100 0.547 0.000 0.794 185 G HN 0.242 nan 8.290 nan 0.000 0.532 186 Q N -0.019 119.941 119.800 0.265 0.000 2.224 186 Q HA -0.061 4.279 4.340 -0.001 0.000 0.203 186 Q C 2.711 178.817 176.000 0.176 0.000 0.970 186 Q CA 1.410 57.329 55.803 0.193 0.000 0.865 186 Q CB -0.190 28.642 28.738 0.157 0.000 0.922 186 Q HN 0.404 nan 8.270 nan 0.000 0.445 187 T N 0.005 114.676 114.554 0.196 0.000 2.857 187 T HA -0.163 4.187 4.350 -0.001 0.000 0.266 187 T C 1.075 175.894 174.700 0.199 0.000 1.048 187 T CA 0.855 63.047 62.100 0.152 0.000 1.139 187 T CB -0.309 68.642 68.868 0.139 0.000 0.874 187 T HN 0.470 nan 8.240 nan 0.000 0.455 188 W N 1.657 123.074 121.300 0.194 0.000 2.355 188 W HA -0.038 4.621 4.660 -0.001 0.000 0.309 188 W C 1.771 178.427 176.519 0.229 0.000 1.206 188 W CA 0.914 58.458 57.345 0.333 0.000 1.284 188 W CB -0.421 29.309 29.460 0.449 0.000 1.145 188 W HN 0.127 nan 8.180 nan 0.000 0.502 189 L N 0.624 122.089 121.223 0.402 0.000 2.042 189 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 189 L C 2.488 179.314 176.870 -0.073 0.000 1.076 189 L CA 1.709 56.604 54.840 0.092 0.000 0.749 189 L CB -1.006 41.033 42.059 -0.033 0.000 0.893 189 L HN -0.047 nan 8.230 nan 0.000 0.432 190 K N 0.404 120.778 120.400 -0.043 0.000 1.985 190 K HA -0.239 4.080 4.320 -0.001 0.000 0.210 190 K C 2.150 178.629 176.600 -0.201 0.000 1.047 190 K CA 1.668 57.900 56.287 -0.091 0.000 0.932 190 K CB -0.411 32.057 32.500 -0.053 0.000 0.716 190 K HN 0.181 nan 8.250 nan 0.000 0.439 191 Q N -1.350 118.270 119.800 -0.300 0.000 2.077 191 Q HA -0.174 4.165 4.340 -0.001 0.000 0.206 191 Q C 1.558 177.097 176.000 -0.768 0.000 0.989 191 Q CA 2.075 57.541 55.803 -0.561 0.000 0.853 191 Q CB -0.058 28.244 28.738 -0.727 0.000 0.907 191 Q HN 0.381 nan 8.270 nan 0.000 0.418 192 F N -1.792 117.809 119.950 -0.581 0.000 2.622 192 F HA 0.129 4.656 4.527 -0.001 0.000 0.288 192 F C 1.822 177.343 175.800 -0.465 0.000 1.120 192 F CA 0.251 57.842 58.000 -0.682 0.000 1.423 192 F CB 0.385 38.502 39.000 -1.472 0.000 1.127 192 F HN 0.070 nan 8.300 nan 0.000 0.588 193 M N -0.990 118.481 119.600 -0.214 0.000 2.331 193 M HA 0.204 4.684 4.480 -0.001 0.000 0.266 193 M C 0.286 176.578 176.300 -0.014 0.000 1.055 193 M CA 0.349 55.621 55.300 -0.046 0.000 1.048 193 M CB -0.637 31.973 32.600 0.016 0.000 1.460 193 M HN 0.105 nan 8.290 nan 0.000 0.519 194 N N 1.825 120.483 118.700 -0.071 0.000 2.740 194 N HA -0.132 4.608 4.740 -0.001 0.000 0.248 194 N C -1.016 174.485 175.510 -0.016 0.000 1.062 194 N CA 0.693 53.713 53.050 -0.050 0.000 0.704 194 N CB -1.076 37.390 38.487 -0.035 0.000 0.968 194 N HN 0.322 nan 8.380 nan 0.000 0.547 195 V N -3.609 116.299 119.914 -0.009 0.000 3.007 195 V HA 0.883 5.002 4.120 -0.001 0.000 0.311 195 V C 0.106 176.197 176.094 -0.005 0.000 1.120 195 V CA -0.480 61.830 62.300 0.016 0.000 0.980 195 V CB 2.324 34.207 31.823 0.100 0.000 1.033 195 V HN 0.072 nan 8.190 nan 0.000 0.429 196 T N 4.020 118.559 114.554 -0.025 0.000 2.930 196 T HA 0.564 4.913 4.350 -0.001 0.000 0.313 196 T C -2.716 171.908 174.700 -0.127 0.000 1.019 196 T CA -0.758 61.307 62.100 -0.059 0.000 1.004 196 T CB 1.348 70.169 68.868 -0.078 0.000 0.987 196 T HN 0.751 nan 8.240 nan 0.000 0.456 197 P HA 0.174 nan 4.420 nan 0.000 0.267 197 P C 0.844 177.765 177.300 -0.631 0.000 1.200 197 P CA -0.157 62.835 63.100 -0.181 0.000 0.772 197 P CB 0.544 32.254 31.700 0.017 0.000 0.855 198 T N -1.987 112.236 114.554 -0.552 0.000 3.043 198 T HA 0.538 4.888 4.350 -0.001 0.000 0.272 198 T C 0.309 174.813 174.700 -0.328 0.000 0.990 198 T CA -0.260 61.394 62.100 -0.744 0.000 0.897 198 T CB 0.135 68.785 68.868 -0.362 0.000 1.111 198 T HN 0.415 nan 8.240 nan 0.000 0.529 199 A N 0.872 123.669 122.820 -0.038 0.000 2.343 199 A HA 0.804 5.123 4.320 -0.001 0.000 0.316 199 A C -0.175 177.678 177.584 0.449 0.000 1.104 199 A CA -0.680 51.487 52.037 0.217 0.000 0.768 199 A CB 1.815 20.962 19.000 0.244 0.000 1.213 199 A HN 0.256 nan 8.150 nan 0.000 0.456 200 S N 2.100 118.059 115.700 0.432 0.000 2.549 200 S HA 0.694 5.164 4.470 -0.001 0.000 0.297 200 S C -1.140 173.656 174.600 0.326 0.000 1.115 200 S CA -0.440 57.955 58.200 0.324 0.000 1.059 200 S CB 0.790 64.003 63.200 0.022 0.000 1.046 200 S HN 0.810 nan 8.310 nan 0.000 0.506 201 W N 4.335 125.651 121.300 0.027 0.000 2.587 201 W HA 0.632 5.291 4.660 -0.001 0.000 0.324 201 W C -1.512 174.955 176.519 -0.086 0.000 1.008 201 W CA -0.833 56.481 57.345 -0.051 0.000 1.265 201 W CB 1.140 30.543 29.460 -0.095 0.000 1.328 201 W HN 0.778 nan 8.180 nan 0.000 0.432 202 A N 7.996 130.655 122.820 -0.269 0.000 2.893 202 A HA 0.293 4.612 4.320 -0.001 0.000 0.333 202 A C 0.271 177.601 177.584 -0.423 0.000 1.152 202 A CA -0.481 51.408 52.037 -0.248 0.000 0.782 202 A CB -0.294 18.681 19.000 -0.041 0.000 1.108 202 A HN 0.717 nan 8.150 nan 0.000 0.469 203 I N -2.591 117.554 120.570 -0.709 0.000 3.645 203 I HA 0.283 4.452 4.170 -0.001 0.000 0.300 203 I C 0.815 176.607 176.117 -0.542 0.000 1.260 203 I CA 0.840 61.679 61.300 -0.768 0.000 1.365 203 I CB 0.442 37.715 38.000 -1.212 0.000 1.077 203 I HN 0.342 nan 8.210 nan 0.000 0.439 204 D N 0.497 120.524 120.400 -0.621 0.000 2.489 204 D HA 0.252 4.891 4.640 -0.001 0.000 0.231 204 D C -2.164 173.667 176.300 -0.783 0.000 1.114 204 D CA -0.766 52.866 54.000 -0.613 0.000 0.842 204 D CB 0.075 40.433 40.800 -0.735 0.000 1.133 204 D HN 0.175 nan 8.370 nan 0.000 0.506 205 P HA 0.043 nan 4.420 nan 0.000 0.267 205 P C -0.522 176.286 177.300 -0.820 0.000 1.200 205 P CA 0.080 62.593 63.100 -0.978 0.000 0.772 205 P CB 0.202 31.521 31.700 -0.635 0.000 0.855 206 F N 2.061 121.766 119.950 -0.409 0.000 2.541 206 F HA 0.532 5.059 4.527 -0.001 0.000 0.351 206 F C 1.409 177.117 175.800 -0.154 0.000 1.209 206 F CA -0.612 57.099 58.000 -0.481 0.000 1.277 206 F CB -1.128 37.750 39.000 -0.203 0.000 1.632 206 F HN 0.481 nan 8.300 nan 0.000 0.619 207 G N 1.212 109.737 108.800 -0.459 0.000 2.663 207 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.686 207 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.686 207 G C -1.444 173.061 174.900 -0.658 0.000 1.246 207 G CA -1.168 43.770 45.100 -0.270 0.000 0.795 207 G HN 0.598 nan 8.290 nan 0.000 0.627 208 H N -0.504 118.237 119.070 -0.548 0.000 2.690 208 H HA 0.758 5.314 4.556 -0.001 0.000 0.368 208 H C -0.350 174.830 175.328 -0.247 0.000 1.150 208 H CA -0.001 55.919 56.048 -0.213 0.000 1.174 208 H CB 2.091 31.918 29.762 0.109 0.000 1.684 208 H HN 0.661 nan 8.280 nan 0.000 0.538 209 S N 2.236 118.061 115.700 0.208 0.000 2.503 209 S HA 0.250 4.719 4.470 -0.001 0.000 0.301 209 S C -1.790 172.805 174.600 -0.009 0.000 1.087 209 S CA -1.784 56.550 58.200 0.222 0.000 1.042 209 S CB 1.349 64.736 63.200 0.312 0.000 1.043 209 S HN 0.469 nan 8.310 nan 0.000 0.489 210 P HA 0.020 nan 4.420 nan 0.000 0.237 210 P C 1.090 178.127 177.300 -0.439 0.000 1.178 210 P CA 0.665 63.337 63.100 -0.713 0.000 0.766 210 P CB -0.227 31.207 31.700 -0.444 0.000 0.876 211 T N 0.106 114.542 114.554 -0.197 0.000 2.803 211 T HA -0.124 4.226 4.350 -0.001 0.000 0.269 211 T C 1.880 176.538 174.700 -0.070 0.000 1.052 211 T CA 1.322 63.359 62.100 -0.104 0.000 1.136 211 T CB -0.422 68.427 68.868 -0.033 0.000 0.864 211 T HN 0.008 nan 8.240 nan 0.000 0.467 212 M N 0.949 120.464 119.600 -0.141 0.000 2.059 212 M HA -0.020 4.459 4.480 -0.001 0.000 0.259 212 M C -0.539 175.622 176.300 -0.232 0.000 1.072 212 M CA 1.387 56.597 55.300 -0.149 0.000 1.117 212 M CB -2.596 29.942 32.600 -0.104 0.000 1.320 212 M HN 0.163 nan 8.290 nan 0.000 0.408 213 P HA -0.196 nan 4.420 nan 0.000 0.218 213 P C 1.698 178.873 177.300 -0.208 0.000 1.149 213 P CA 1.409 64.321 63.100 -0.313 0.000 0.817 213 P CB -0.421 31.012 31.700 -0.445 0.000 0.785 214 Y N 1.313 121.427 120.300 -0.310 0.000 2.053 214 Y HA -0.241 4.308 4.550 -0.001 0.000 0.277 214 Y C 2.437 178.255 175.900 -0.135 0.000 1.159 214 Y CA 1.840 59.822 58.100 -0.197 0.000 1.125 214 Y CB -1.045 37.311 38.460 -0.173 0.000 0.969 214 Y HN -0.236 nan 8.280 nan 0.000 0.492 215 I N -0.427 120.151 120.570 0.015 0.000 2.202 215 I HA -0.324 3.845 4.170 -0.001 0.000 0.242 215 I C 2.367 178.409 176.117 -0.124 0.000 1.091 215 I CA 1.296 62.574 61.300 -0.036 0.000 1.368 215 I CB -0.512 37.535 38.000 0.080 0.000 1.058 215 I HN 0.276 nan 8.210 nan 0.000 0.410 216 L N 0.188 121.289 121.223 -0.204 0.000 2.012 216 L HA -0.244 4.096 4.340 -0.001 0.000 0.210 216 L C 2.725 179.584 176.870 -0.019 0.000 1.073 216 L CA 1.353 56.002 54.840 -0.318 0.000 0.748 216 L CB -0.721 40.963 42.059 -0.624 0.000 0.891 216 L HN 0.376 nan 8.230 nan 0.000 0.431 217 Q N 1.068 120.820 119.800 -0.081 0.000 2.224 217 Q HA -0.188 4.151 4.340 -0.001 0.000 0.203 217 Q C 1.626 177.588 176.000 -0.063 0.000 0.970 217 Q CA 1.430 57.209 55.803 -0.041 0.000 0.865 217 Q CB 0.136 28.817 28.738 -0.096 0.000 0.922 217 Q HN 0.461 nan 8.270 nan 0.000 0.445 218 K N -0.392 119.927 120.400 -0.135 0.000 2.458 218 K HA 0.115 4.434 4.320 -0.001 0.000 0.194 218 K C 0.530 177.099 176.600 -0.051 0.000 1.024 218 K CA 0.079 56.285 56.287 -0.134 0.000 1.108 218 K CB 0.523 32.873 32.500 -0.250 0.000 0.846 218 K HN -0.082 nan 8.250 nan 0.000 0.518 219 S N -0.165 115.563 115.700 0.046 0.000 2.843 219 S HA 0.210 4.679 4.470 -0.001 0.000 0.249 219 S C 0.701 175.406 174.600 0.175 0.000 1.047 219 S CA 0.053 58.325 58.200 0.121 0.000 1.042 219 S CB 1.305 64.626 63.200 0.201 0.000 0.936 219 S HN 0.520 nan 8.310 nan 0.000 0.531 220 G N 1.178 110.028 108.800 0.084 0.000 2.179 220 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.260 220 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.260 220 G C -0.034 174.831 174.900 -0.059 0.000 0.977 220 G CA -0.338 44.753 45.100 -0.015 0.000 0.641 220 G HN 0.451 nan 8.290 nan 0.000 0.533 221 F N 0.272 120.181 119.950 -0.068 0.000 2.410 221 F HA 0.599 5.125 4.527 -0.001 0.000 0.334 221 F C 1.539 177.280 175.800 -0.098 0.000 1.134 221 F CA -0.114 57.842 58.000 -0.074 0.000 1.227 221 F CB 1.089 40.049 39.000 -0.067 0.000 1.194 221 F HN -0.203 nan 8.300 nan 0.000 0.571 222 K N 0.864 121.273 120.400 0.016 0.000 2.435 222 K HA 0.256 4.575 4.320 -0.001 0.000 0.199 222 K C -0.313 176.225 176.600 -0.102 0.000 1.153 222 K CA 0.334 56.575 56.287 -0.076 0.000 0.974 222 K CB 0.255 32.662 32.500 -0.156 0.000 0.997 222 K HN 0.529 nan 8.250 nan 0.000 0.547 223 N N 0.526 119.148 118.700 -0.130 0.000 2.591 223 N HA 0.423 5.162 4.740 -0.001 0.000 0.263 223 N C -0.859 174.486 175.510 -0.275 0.000 1.308 223 N CA -0.403 52.401 53.050 -0.410 0.000 0.837 223 N CB 2.534 40.206 38.487 -1.358 0.000 1.548 223 N HN -0.086 nan 8.380 nan 0.000 0.493 224 M N -0.546 118.892 119.600 -0.269 0.000 2.644 224 M HA 0.622 5.101 4.480 -0.001 0.000 0.273 224 M C -2.072 174.300 176.300 0.120 0.000 1.253 224 M CA -0.944 54.348 55.300 -0.014 0.000 0.852 224 M CB 2.859 35.446 32.600 -0.023 0.000 1.708 224 M HN 0.473 nan 8.290 nan 0.000 0.471 225 L N 3.011 124.313 121.223 0.132 0.000 2.431 225 L HA 0.887 5.226 4.340 -0.001 0.000 0.266 225 L C -1.632 175.114 176.870 -0.206 0.000 0.978 225 L CA -0.715 54.164 54.840 0.065 0.000 0.822 225 L CB 2.177 44.333 42.059 0.162 0.000 1.310 225 L HN 0.944 nan 8.230 nan 0.000 0.409 226 I N 0.887 121.245 120.570 -0.353 0.000 3.042 226 I HA 0.626 4.795 4.170 -0.001 0.000 0.310 226 I C -0.712 175.094 176.117 -0.517 0.000 1.117 226 I CA -0.545 60.344 61.300 -0.685 0.000 1.003 226 I CB 2.241 39.565 38.000 -1.128 0.000 1.228 226 I HN 0.749 nan 8.210 nan 0.000 0.443 227 Q N 2.143 121.704 119.800 -0.399 0.000 2.570 227 Q HA 0.336 4.676 4.340 -0.001 0.000 0.222 227 Q C 0.086 175.986 176.000 -0.167 0.000 0.769 227 Q CA 0.466 56.118 55.803 -0.251 0.000 0.934 227 Q CB 0.552 29.140 28.738 -0.250 0.000 1.309 227 Q HN 0.654 nan 8.270 nan 0.000 0.565 228 R N 2.171 122.591 120.500 -0.133 0.000 2.612 228 R HA 0.305 4.644 4.340 -0.001 0.000 0.273 228 R C -0.619 175.448 176.300 -0.388 0.000 1.376 228 R CA 0.595 56.376 56.100 -0.531 0.000 1.171 228 R CB 0.017 29.630 30.300 -1.146 0.000 1.151 228 R HN 0.414 nan 8.270 nan 0.000 0.560 229 T N -2.566 111.992 114.554 0.007 0.000 2.924 229 T HA 0.136 4.485 4.350 -0.001 0.000 0.291 229 T C 0.030 175.004 174.700 0.456 0.000 1.045 229 T CA -0.898 61.323 62.100 0.201 0.000 1.015 229 T CB 1.775 70.588 68.868 -0.091 0.000 1.103 229 T HN 0.406 nan 8.240 nan 0.000 0.496 230 H N 1.779 121.065 119.070 0.360 0.000 3.094 230 H HA -0.033 4.523 4.556 -0.001 0.000 0.320 230 H C 1.064 176.433 175.328 0.070 0.000 1.000 230 H CA 0.267 56.411 56.048 0.160 0.000 1.413 230 H CB 0.308 30.204 29.762 0.224 0.000 1.405 230 H HN 0.919 nan 8.280 nan 0.000 0.586 231 Y N 2.375 122.791 120.300 0.193 0.000 2.315 231 Y HA -0.176 4.373 4.550 -0.001 0.000 0.288 231 Y C 2.119 178.185 175.900 0.277 0.000 1.154 231 Y CA 0.996 59.231 58.100 0.225 0.000 1.229 231 Y CB -0.608 37.926 38.460 0.124 0.000 0.980 231 Y HN 0.293 nan 8.280 nan 0.000 0.540 232 S N 0.216 115.908 115.700 -0.014 0.000 2.406 232 S HA -0.097 4.372 4.470 -0.001 0.000 0.228 232 S C 2.068 176.570 174.600 -0.164 0.000 1.020 232 S CA 1.047 59.137 58.200 -0.183 0.000 0.965 232 S CB -0.479 62.360 63.200 -0.601 0.000 0.798 232 S HN 0.372 nan 8.310 nan 0.000 0.488 233 V N 2.036 121.919 119.914 -0.051 0.000 2.307 233 V HA -0.165 3.955 4.120 -0.001 0.000 0.245 233 V C 2.246 178.374 176.094 0.057 0.000 1.045 233 V CA 1.574 63.887 62.300 0.021 0.000 1.024 233 V CB -0.508 31.433 31.823 0.197 0.000 0.651 233 V HN 0.404 nan 8.190 nan 0.000 0.449 234 K N 0.121 120.593 120.400 0.120 0.000 2.074 234 K HA -0.278 4.041 4.320 -0.001 0.000 0.209 234 K C 2.269 179.001 176.600 0.220 0.000 1.048 234 K CA 2.008 58.386 56.287 0.152 0.000 0.926 234 K CB -0.244 32.407 32.500 0.251 0.000 0.713 234 K HN 0.369 nan 8.250 nan 0.000 0.444 235 K N 1.056 121.584 120.400 0.212 0.000 2.025 235 K HA -0.214 4.106 4.320 -0.001 0.000 0.207 235 K C 2.121 178.817 176.600 0.161 0.000 1.049 235 K CA 1.615 58.038 56.287 0.226 0.000 0.933 235 K CB 0.046 32.604 32.500 0.097 0.000 0.714 235 K HN -0.045 nan 8.250 nan 0.000 0.438 236 E N 0.968 121.181 120.200 0.022 0.000 2.031 236 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 236 E C 1.928 178.522 176.600 -0.010 0.000 0.994 236 E CA 1.486 57.857 56.400 -0.049 0.000 0.800 236 E CB -0.220 29.401 29.700 -0.133 0.000 0.752 236 E HN 0.339 nan 8.360 nan 0.000 0.447 237 L N -0.261 120.967 121.223 0.008 0.000 2.093 237 L HA -0.087 4.252 4.340 -0.001 0.000 0.208 237 L C 2.474 179.363 176.870 0.032 0.000 1.085 237 L CA 0.943 55.782 54.840 -0.002 0.000 0.755 237 L CB -0.586 41.458 42.059 -0.026 0.000 0.904 237 L HN 0.199 nan 8.230 nan 0.000 0.435 238 A N -0.325 122.568 122.820 0.121 0.000 1.933 238 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 238 A C 2.209 179.975 177.584 0.303 0.000 1.175 238 A CA 1.414 53.576 52.037 0.207 0.000 0.628 238 A CB -0.429 18.843 19.000 0.454 0.000 0.814 238 A HN 0.461 nan 8.150 nan 0.000 0.444 239 Q N -1.050 118.886 119.800 0.227 0.000 2.226 239 Q HA -0.138 4.202 4.340 -0.001 0.000 0.204 239 Q C 1.362 177.354 176.000 -0.013 0.000 0.975 239 Q CA 1.152 56.940 55.803 -0.024 0.000 0.866 239 Q CB -0.008 28.571 28.738 -0.265 0.000 0.915 239 Q HN 0.589 nan 8.270 nan 0.000 0.440 240 Q N -0.258 119.546 119.800 0.007 0.000 2.282 240 Q HA 0.134 4.474 4.340 -0.001 0.000 0.206 240 Q C -0.360 175.654 176.000 0.023 0.000 0.878 240 Q CA -0.006 55.796 55.803 -0.002 0.000 0.944 240 Q CB 0.693 29.419 28.738 -0.019 0.000 1.100 240 Q HN 0.276 nan 8.270 nan 0.000 0.509 241 R N 0.766 121.284 120.500 0.029 0.000 3.333 241 R HA -0.206 4.133 4.340 -0.001 0.000 0.256 241 R C -0.190 176.134 176.300 0.040 0.000 1.010 241 R CA 0.477 56.580 56.100 0.006 0.000 0.680 241 R CB -2.007 28.325 30.300 0.053 0.000 1.102 241 R HN 0.392 nan 8.270 nan 0.000 0.440 242 Q N 0.078 119.891 119.800 0.022 0.000 2.186 242 Q HA 0.191 4.530 4.340 -0.001 0.000 0.241 242 Q C 1.263 177.337 176.000 0.122 0.000 0.849 242 Q CA -0.215 55.637 55.803 0.082 0.000 1.053 242 Q CB 0.484 29.239 28.738 0.029 0.000 1.146 242 Q HN 0.438 nan 8.270 nan 0.000 0.475 243 L N 0.118 121.336 121.223 -0.008 0.000 2.395 243 L HA 0.024 4.363 4.340 -0.001 0.000 0.218 243 L C 0.363 177.188 176.870 -0.075 0.000 1.130 243 L CA 0.958 55.758 54.840 -0.066 0.000 0.826 243 L CB 0.257 42.077 42.059 -0.399 0.000 0.941 243 L HN 0.195 nan 8.230 nan 0.000 0.451 244 E N 0.207 120.409 120.200 0.003 0.000 2.158 244 E HA 0.536 4.886 4.350 -0.001 0.000 0.271 244 E C -1.218 175.269 176.600 -0.189 0.000 0.911 244 E CA -0.540 55.663 56.400 -0.328 0.000 0.767 244 E CB 1.570 31.200 29.700 -0.117 0.000 1.120 244 E HN 0.002 nan 8.360 nan 0.000 0.405 245 F N -0.336 119.344 119.950 -0.450 0.000 2.713 245 F HA 0.464 4.991 4.527 -0.001 0.000 0.311 245 F C -1.627 174.063 175.800 -0.183 0.000 1.141 245 F CA -1.357 56.536 58.000 -0.178 0.000 0.939 245 F CB 0.792 39.715 39.000 -0.128 0.000 1.325 245 F HN 0.172 nan 8.300 nan 0.000 0.453 246 L N 2.694 124.078 121.223 0.269 0.000 2.270 246 L HA 0.206 4.546 4.340 -0.001 0.000 0.286 246 L C -1.139 175.957 176.870 0.377 0.000 1.059 246 L CA -0.269 54.723 54.840 0.252 0.000 0.839 246 L CB 0.565 42.776 42.059 0.252 0.000 1.221 246 L HN 0.600 nan 8.230 nan 0.000 0.431 247 W N 6.748 128.160 121.300 0.187 0.000 2.387 247 W HA 0.325 4.984 4.660 -0.001 0.000 0.310 247 W C 0.275 176.820 176.519 0.042 0.000 1.181 247 W CA -1.269 56.198 57.345 0.203 0.000 1.333 247 W CB 0.426 30.049 29.460 0.271 0.000 1.286 247 W HN 0.504 nan 8.180 nan 0.000 0.455 248 R N 3.715 124.394 120.500 0.298 0.000 2.782 248 R HA 0.538 4.878 4.340 -0.001 0.000 0.258 248 R C -0.086 176.127 176.300 -0.145 0.000 1.055 248 R CA -0.896 55.206 56.100 0.003 0.000 1.065 248 R CB 1.026 31.310 30.300 -0.026 0.000 1.172 248 R HN 0.236 nan 8.270 nan 0.000 0.510 249 Q N 1.290 120.849 119.800 -0.401 0.000 2.394 249 Q HA 0.075 4.414 4.340 -0.001 0.000 0.248 249 Q C 1.477 177.078 176.000 -0.664 0.000 0.992 249 Q CA 0.042 55.404 55.803 -0.736 0.000 0.888 249 Q CB 0.920 28.794 28.738 -1.441 0.000 1.257 249 Q HN 0.844 nan 8.270 nan 0.000 0.462 250 I N -2.060 118.221 120.570 -0.481 0.000 2.423 250 I HA -0.165 4.005 4.170 -0.001 0.000 0.254 250 I C 1.239 177.301 176.117 -0.092 0.000 1.151 250 I CA 1.359 62.544 61.300 -0.191 0.000 1.421 250 I CB -0.381 37.608 38.000 -0.018 0.000 1.079 250 I HN 0.664 nan 8.210 nan 0.000 0.431 251 W N 1.397 122.764 121.300 0.112 0.000 3.316 251 W HA 0.384 5.044 4.660 -0.001 0.000 0.327 251 W C 0.153 176.755 176.519 0.139 0.000 1.232 251 W CA -0.806 56.667 57.345 0.214 0.000 1.805 251 W CB -0.711 28.962 29.460 0.354 0.000 1.090 251 W HN -0.066 nan 8.180 nan 0.000 0.654 252 D N 1.832 122.014 120.400 -0.363 0.000 2.393 252 D HA -0.014 4.625 4.640 -0.001 0.000 0.232 252 D C 0.895 177.181 176.300 -0.022 0.000 1.192 252 D CA 0.109 54.002 54.000 -0.178 0.000 0.882 252 D CB 0.419 41.007 40.800 -0.354 0.000 1.038 252 D HN 0.066 nan 8.370 nan 0.000 0.499 253 N N 3.627 122.374 118.700 0.077 0.000 2.270 253 N HA -0.113 4.627 4.740 -0.001 0.000 0.181 253 N C 1.417 176.951 175.510 0.039 0.000 1.016 253 N CA 1.037 54.122 53.050 0.057 0.000 0.870 253 N CB 0.170 38.710 38.487 0.088 0.000 0.979 253 N HN 0.348 nan 8.380 nan 0.000 0.431 254 K N -1.282 119.146 120.400 0.047 0.000 2.137 254 K HA 0.107 4.426 4.320 -0.001 0.000 0.202 254 K C 0.698 177.315 176.600 0.028 0.000 1.052 254 K CA 1.037 57.348 56.287 0.040 0.000 0.961 254 K CB 0.062 32.592 32.500 0.049 0.000 0.741 254 K HN 0.219 nan 8.250 nan 0.000 0.452 255 G N 0.654 109.463 108.800 0.015 0.000 2.163 255 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.213 255 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.213 255 G C 0.187 175.094 174.900 0.011 0.000 0.991 255 G CA 0.348 45.455 45.100 0.013 0.000 0.653 255 G HN 0.379 nan 8.290 nan 0.000 0.518 256 D N 0.739 121.146 120.400 0.013 0.000 2.348 256 D HA -0.027 4.612 4.640 -0.001 0.000 0.216 256 D C 2.504 178.796 176.300 -0.013 0.000 0.970 256 D CA 1.646 55.651 54.000 0.008 0.000 0.889 256 D CB -0.145 40.666 40.800 0.018 0.000 0.912 256 D HN 0.660 nan 8.370 nan 0.000 0.524 257 T N -1.929 112.608 114.554 -0.029 0.000 3.129 257 T HA 0.314 4.663 4.350 -0.001 0.000 0.251 257 T C 0.962 175.628 174.700 -0.058 0.000 1.117 257 T CA -0.219 61.842 62.100 -0.065 0.000 1.034 257 T CB 0.118 68.931 68.868 -0.092 0.000 0.968 257 T HN 0.046 nan 8.240 nan 0.000 0.526 258 A N 1.397 124.208 122.820 -0.014 0.000 2.462 258 A HA 0.604 4.923 4.320 -0.001 0.000 0.243 258 A C -0.353 177.258 177.584 0.045 0.000 1.076 258 A CA -0.445 51.614 52.037 0.037 0.000 0.773 258 A CB 0.021 19.068 19.000 0.078 0.000 1.010 258 A HN 0.533 nan 8.150 nan 0.000 0.493 259 L N 2.495 123.767 121.223 0.083 0.000 2.409 259 L HA 0.564 4.903 4.340 -0.001 0.000 0.272 259 L C -0.716 176.223 176.870 0.115 0.000 0.980 259 L CA -0.538 54.346 54.840 0.074 0.000 0.826 259 L CB 1.476 43.542 42.059 0.013 0.000 1.268 259 L HN 0.663 nan 8.230 nan 0.000 0.407 260 F N 3.857 123.774 119.950 -0.055 0.000 2.578 260 F HA 0.424 4.950 4.527 -0.001 0.000 0.381 260 F C -0.020 175.667 175.800 -0.189 0.000 1.069 260 F CA 0.752 58.687 58.000 -0.107 0.000 1.231 260 F CB 0.466 39.420 39.000 -0.077 0.000 1.086 260 F HN 0.571 nan 8.300 nan 0.000 0.564 261 T N 5.296 119.292 114.554 -0.930 0.000 2.886 261 T HA 0.209 4.558 4.350 -0.001 0.000 0.292 261 T C -1.640 172.451 174.700 -1.014 0.000 1.012 261 T CA -0.497 61.147 62.100 -0.760 0.000 0.982 261 T CB 0.969 69.421 68.868 -0.693 0.000 1.018 261 T HN 0.618 nan 8.240 nan 0.000 0.451 262 H N 2.695 121.476 119.070 -0.482 0.000 2.511 262 H HA 0.630 5.185 4.556 -0.001 0.000 0.328 262 H C -0.455 174.685 175.328 -0.313 0.000 1.044 262 H CA -0.759 55.113 56.048 -0.293 0.000 1.212 262 H CB 0.796 30.616 29.762 0.098 0.000 1.428 262 H HN 0.488 nan 8.280 nan 0.000 0.483 263 M N 6.918 126.183 119.600 -0.558 0.000 2.113 263 M HA 0.296 4.775 4.480 -0.001 0.000 0.352 263 M C -0.919 175.143 176.300 -0.396 0.000 1.170 263 M CA -0.596 54.460 55.300 -0.408 0.000 1.053 263 M CB 0.684 33.092 32.600 -0.320 0.000 1.601 263 M HN 0.684 nan 8.290 nan 0.000 0.459 264 M N 6.783 126.258 119.600 -0.209 0.000 2.248 264 M HA 0.176 4.656 4.480 -0.001 0.000 0.337 264 M C -1.573 174.609 176.300 -0.197 0.000 1.121 264 M CA -1.172 54.048 55.300 -0.133 0.000 1.155 264 M CB 0.376 32.914 32.600 -0.103 0.000 1.514 264 M HN 0.474 nan 8.290 nan 0.000 0.452 265 P HA 0.124 nan 4.420 nan 0.000 0.252 265 P C -0.412 176.720 177.300 -0.280 0.000 1.218 265 P CA 0.863 63.670 63.100 -0.489 0.000 0.807 265 P CB 0.355 31.432 31.700 -1.038 0.000 1.072 266 F N -1.995 117.967 119.950 0.019 0.000 2.611 266 F HA 0.309 4.836 4.527 -0.001 0.000 0.374 266 F C 1.924 177.819 175.800 0.158 0.000 1.110 266 F CA -1.430 56.620 58.000 0.084 0.000 1.090 266 F CB -0.814 38.169 39.000 -0.028 0.000 1.388 266 F HN -0.327 nan 8.300 nan 0.000 0.501 267 Y N 0.041 120.497 120.300 0.260 0.000 2.373 267 Y HA 0.139 4.689 4.550 -0.001 0.000 0.293 267 Y C 0.864 176.682 175.900 -0.136 0.000 1.129 267 Y CA 1.244 59.356 58.100 0.020 0.000 1.226 267 Y CB 0.084 38.456 38.460 -0.146 0.000 1.000 267 Y HN 0.356 nan 8.280 nan 0.000 0.549 268 S N -1.762 113.827 115.700 -0.185 0.000 2.638 268 S HA 0.253 4.722 4.470 -0.001 0.000 0.274 268 S C -0.381 174.136 174.600 -0.138 0.000 1.157 268 S CA -0.401 57.570 58.200 -0.383 0.000 0.826 268 S CB 0.270 63.166 63.200 -0.507 0.000 1.139 268 S HN 0.274 nan 8.310 nan 0.000 0.474 269 Y N 0.780 121.040 120.300 -0.066 0.000 2.490 269 Y HA 0.305 4.854 4.550 -0.001 0.000 0.281 269 Y C 0.458 176.450 175.900 0.153 0.000 1.174 269 Y CA -0.556 57.536 58.100 -0.013 0.000 1.295 269 Y CB -1.060 37.303 38.460 -0.162 0.000 1.062 269 Y HN 0.545 nan 8.280 nan 0.000 0.522 270 D N 0.595 120.999 120.400 0.006 0.000 2.393 270 D HA -0.025 4.615 4.640 -0.001 0.000 0.246 270 D C 1.234 177.672 176.300 0.231 0.000 1.275 270 D CA -0.374 53.733 54.000 0.179 0.000 0.979 270 D CB 0.727 41.592 40.800 0.108 0.000 1.101 270 D HN 0.238 nan 8.370 nan 0.000 0.505 271 I N -0.464 120.217 120.570 0.185 0.000 2.252 271 I HA -0.108 4.062 4.170 -0.001 0.000 0.245 271 I C -0.791 175.371 176.117 0.074 0.000 1.102 271 I CA 0.610 62.004 61.300 0.156 0.000 1.385 271 I CB -1.049 37.029 38.000 0.129 0.000 1.064 271 I HN 0.302 nan 8.210 nan 0.000 0.414 272 P HA -0.175 nan 4.420 nan 0.000 0.217 272 P C 0.567 177.583 177.300 -0.473 0.000 1.148 272 P CA 1.627 64.553 63.100 -0.289 0.000 0.828 272 P CB -0.096 31.433 31.700 -0.285 0.000 0.783 273 H N -2.921 116.140 119.070 -0.016 0.000 2.488 273 H HA 0.216 4.771 4.556 -0.001 0.000 0.294 273 H C 0.950 176.367 175.328 0.147 0.000 1.088 273 H CA 0.615 56.659 56.048 -0.007 0.000 1.086 273 H CB -0.300 29.530 29.762 0.113 0.000 1.569 273 H HN 0.128 nan 8.280 nan 0.000 0.548 274 T N -4.464 110.200 114.554 0.184 0.000 2.969 274 T HA -0.031 4.319 4.350 -0.001 0.000 0.258 274 T C 1.815 176.641 174.700 0.209 0.000 0.962 274 T CA 0.376 62.619 62.100 0.238 0.000 0.903 274 T CB -0.668 68.335 68.868 0.225 0.000 1.177 274 T HN 0.508 nan 8.240 nan 0.000 0.511 275 c N 1.502 120.192 118.600 0.150 0.000 2.563 275 c HA 0.731 5.300 4.570 -0.001 0.000 0.268 275 c C 1.333 175.549 174.090 0.209 0.000 1.365 275 c CA 0.322 56.787 56.329 0.227 0.000 1.754 275 c CB -1.089 41.514 42.510 0.156 0.000 1.932 275 c HN 0.897 nan 8.230 nan 0.000 0.536 276 G N -0.199 108.640 108.800 0.065 0.000 2.327 276 G HA2 0.369 4.328 3.960 -0.001 0.000 0.291 276 G HA3 0.369 4.328 3.960 -0.001 0.000 0.291 276 G C -2.732 171.757 174.900 -0.686 0.000 1.290 276 G CA 0.210 45.280 45.100 -0.050 0.000 0.857 276 G HN -0.115 nan 8.290 nan 0.000 0.520 277 P HA 0.097 nan 4.420 nan 0.000 0.229 277 P C -0.043 176.834 177.300 -0.704 0.000 1.160 277 P CA 1.061 63.492 63.100 -1.116 0.000 0.777 277 P CB 0.331 31.730 31.700 -0.502 0.000 0.814 278 D N 0.880 120.979 120.400 -0.502 0.000 2.473 278 D HA 0.128 4.767 4.640 -0.001 0.000 0.226 278 D C -1.438 174.509 176.300 -0.589 0.000 1.089 278 D CA -2.586 51.160 54.000 -0.423 0.000 0.883 278 D CB 1.152 41.792 40.800 -0.267 0.000 1.029 278 D HN 0.017 nan 8.370 nan 0.000 0.517 279 P HA -0.150 nan 4.420 nan 0.000 0.222 279 P C 1.247 177.696 177.300 -1.417 0.000 1.147 279 P CA 0.650 62.990 63.100 -1.265 0.000 0.790 279 P CB 0.520 31.209 31.700 -1.685 0.000 0.780 280 K N 0.268 119.977 120.400 -1.152 0.000 2.147 280 K HA -0.069 4.251 4.320 -0.001 0.000 0.205 280 K C 1.812 178.211 176.600 -0.335 0.000 1.049 280 K CA 1.071 56.982 56.287 -0.626 0.000 0.936 280 K CB -0.192 32.151 32.500 -0.263 0.000 0.722 280 K HN -0.051 nan 8.250 nan 0.000 0.446 281 V N 0.205 119.934 119.914 -0.308 0.000 2.379 281 V HA -0.224 3.896 4.120 -0.001 0.000 0.243 281 V C 2.351 178.409 176.094 -0.060 0.000 1.035 281 V CA 1.295 63.517 62.300 -0.131 0.000 1.035 281 V CB -0.213 31.547 31.823 -0.105 0.000 0.673 281 V HN 0.466 nan 8.190 nan 0.000 0.457 282 c N -0.868 117.610 118.600 -0.203 0.000 2.435 282 c HA -0.172 4.397 4.570 -0.001 0.000 0.279 282 c C 2.975 177.025 174.090 -0.066 0.000 1.321 282 c CA 0.652 56.931 56.329 -0.084 0.000 1.752 282 c CB -1.418 40.967 42.510 -0.208 0.000 1.959 282 c HN 0.748 nan 8.230 nan 0.000 0.500 283 c N 0.902 119.364 118.600 -0.230 0.000 2.403 283 c HA -0.183 4.387 4.570 -0.001 0.000 0.279 283 c C 2.648 176.618 174.090 -0.199 0.000 1.269 283 c CA 1.383 57.630 56.329 -0.137 0.000 1.774 283 c CB -1.450 41.050 42.510 -0.016 0.000 1.993 283 c HN 0.638 nan 8.230 nan 0.000 0.496 284 Q N -1.408 118.219 119.800 -0.288 0.000 2.500 284 Q HA -0.046 4.293 4.340 -0.001 0.000 0.213 284 Q C 0.754 176.043 176.000 -1.185 0.000 0.974 284 Q CA 1.069 56.504 55.803 -0.613 0.000 0.918 284 Q CB -0.048 28.325 28.738 -0.607 0.000 0.980 284 Q HN 0.764 nan 8.270 nan 0.000 0.505 285 F N -0.421 119.219 119.950 -0.517 0.000 2.668 285 F HA 0.174 4.700 4.527 -0.001 0.000 0.301 285 F C 0.227 175.721 175.800 -0.511 0.000 1.106 285 F CA -0.617 56.964 58.000 -0.699 0.000 1.289 285 F CB 0.708 39.552 39.000 -0.259 0.000 1.006 285 F HN -0.154 nan 8.300 nan 0.000 0.535 286 D N 0.167 120.341 120.400 -0.377 0.000 2.456 286 D HA 0.135 4.775 4.640 -0.001 0.000 0.219 286 D C 0.446 176.551 176.300 -0.325 0.000 1.126 286 D CA -0.279 53.599 54.000 -0.203 0.000 0.890 286 D CB 0.141 40.893 40.800 -0.080 0.000 1.025 286 D HN 0.085 nan 8.370 nan 0.000 0.511 287 F N 1.774 121.726 119.950 0.003 0.000 2.802 287 F HA 0.122 4.648 4.527 -0.001 0.000 0.300 287 F C 2.276 178.033 175.800 -0.071 0.000 1.168 287 F CA 0.214 58.193 58.000 -0.035 0.000 1.433 287 F CB 0.072 39.069 39.000 -0.006 0.000 1.115 287 F HN 0.246 nan 8.300 nan 0.000 0.582 288 K N 0.601 120.951 120.400 -0.084 0.000 2.525 288 K HA 0.064 4.384 4.320 -0.001 0.000 0.192 288 K C 1.038 177.634 176.600 -0.007 0.000 1.029 288 K CA 0.291 56.421 56.287 -0.263 0.000 1.029 288 K CB 0.094 32.282 32.500 -0.520 0.000 0.814 288 K HN 0.193 nan 8.250 nan 0.000 0.503 289 R N -0.214 120.297 120.500 0.018 0.000 2.652 289 R HA 0.225 4.565 4.340 -0.001 0.000 0.372 289 R C 0.885 177.213 176.300 0.046 0.000 1.104 289 R CA -0.172 55.948 56.100 0.034 0.000 1.072 289 R CB 0.374 30.665 30.300 -0.015 0.000 1.367 289 R HN 0.183 nan 8.270 nan 0.000 0.577 290 M N -1.310 118.352 119.600 0.103 0.000 2.514 290 M HA 0.170 4.650 4.480 -0.001 0.000 0.258 290 M C 1.249 177.586 176.300 0.063 0.000 1.119 290 M CA 1.111 56.455 55.300 0.074 0.000 1.111 290 M CB 0.817 33.472 32.600 0.091 0.000 1.390 290 M HN 0.447 nan 8.290 nan 0.000 0.475 291 G N -0.219 108.635 108.800 0.089 0.000 3.876 291 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.203 291 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.203 291 G C 0.983 175.878 174.900 -0.008 0.000 1.162 291 G CA 0.232 45.353 45.100 0.034 0.000 0.903 291 G HN 0.379 nan 8.290 nan 0.000 0.390 292 S N 0.263 115.911 115.700 -0.086 0.000 2.507 292 S HA 0.206 4.676 4.470 -0.001 0.000 0.235 292 S C 1.620 175.954 174.600 -0.443 0.000 0.988 292 S CA 1.437 59.468 58.200 -0.280 0.000 0.944 292 S CB -0.440 62.519 63.200 -0.401 0.000 0.762 292 S HN 0.333 nan 8.310 nan 0.000 0.526 293 F N 1.486 121.433 119.950 -0.005 0.000 2.664 293 F HA 0.485 5.012 4.527 -0.001 0.000 0.303 293 F C 2.026 177.824 175.800 -0.003 0.000 1.092 293 F CA -0.019 57.977 58.000 -0.006 0.000 1.305 293 F CB 0.289 39.282 39.000 -0.011 0.000 1.054 293 F HN 0.390 nan 8.300 nan 0.000 0.565 294 G N 0.544 109.411 108.800 0.112 0.000 2.729 294 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.216 294 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.216 294 G C 0.436 175.383 174.900 0.078 0.000 1.252 294 G CA -0.078 45.066 45.100 0.073 0.000 0.751 294 G HN 0.151 nan 8.290 nan 0.000 0.527 295 L N 1.924 123.215 121.223 0.114 0.000 2.482 295 L HA 0.508 4.847 4.340 -0.001 0.000 0.273 295 L C 1.081 177.990 176.870 0.064 0.000 1.228 295 L CA 0.650 55.539 54.840 0.083 0.000 0.827 295 L CB 0.821 42.927 42.059 0.079 0.000 1.099 295 L HN 0.853 nan 8.230 nan 0.000 0.494 296 S N -0.372 115.353 115.700 0.042 0.000 2.688 296 S HA 0.482 4.951 4.470 -0.001 0.000 0.275 296 S C -1.200 173.421 174.600 0.034 0.000 1.175 296 S CA -0.995 57.221 58.200 0.028 0.000 0.818 296 S CB 1.399 64.605 63.200 0.010 0.000 1.157 296 S HN 0.538 nan 8.310 nan 0.000 0.482 297 c N 2.987 121.613 118.600 0.042 0.000 2.255 297 c HA 0.583 5.153 4.570 -0.001 0.000 0.326 297 c C -1.124 172.974 174.090 0.013 0.000 1.258 297 c CA -1.152 55.248 56.329 0.118 0.000 1.676 297 c CB 0.875 43.483 42.510 0.163 0.000 2.314 297 c HN 0.770 nan 8.230 nan 0.000 0.509 298 P HA -0.057 nan 4.420 nan 0.000 0.233 298 P C 1.038 178.065 177.300 -0.455 0.000 1.167 298 P CA 1.113 63.960 63.100 -0.423 0.000 0.770 298 P CB 0.091 31.383 31.700 -0.679 0.000 0.837 299 W N 0.814 122.089 121.300 -0.041 0.000 3.256 299 W HA 0.181 4.840 4.660 -0.001 0.000 0.269 299 W C 0.684 177.173 176.519 -0.049 0.000 1.310 299 W CA 0.073 57.388 57.345 -0.049 0.000 1.673 299 W CB -0.365 29.057 29.460 -0.065 0.000 1.115 299 W HN 0.151 nan 8.180 nan 0.000 0.686 300 K N -1.403 119.061 120.400 0.107 0.000 3.533 300 K HA -0.157 4.162 4.320 -0.001 0.000 0.289 300 K C -0.313 176.309 176.600 0.037 0.000 1.317 300 K CA 0.504 56.816 56.287 0.042 0.000 0.967 300 K CB -2.034 30.479 32.500 0.022 0.000 1.323 300 K HN -0.101 nan 8.250 nan 0.000 0.477 301 V N 2.660 122.605 119.914 0.052 0.000 2.378 301 V HA 0.333 4.452 4.120 -0.001 0.000 0.288 301 V C -1.802 174.273 176.094 -0.032 0.000 1.016 301 V CA -1.500 60.799 62.300 -0.002 0.000 0.840 301 V CB 1.396 33.208 31.823 -0.019 0.000 0.994 301 V HN -0.021 nan 8.190 nan 0.000 0.431 302 P HA 0.434 nan 4.420 nan 0.000 0.278 302 P C -2.879 174.328 177.300 -0.156 0.000 1.258 302 P CA -2.154 60.902 63.100 -0.074 0.000 0.811 302 P CB 0.604 32.277 31.700 -0.046 0.000 1.063 303 P HA 0.257 nan 4.420 nan 0.000 0.271 303 P C -0.143 177.053 177.300 -0.173 0.000 1.218 303 P CA 0.188 63.076 63.100 -0.354 0.000 0.780 303 P CB 0.557 31.988 31.700 -0.448 0.000 0.901 304 R N 0.632 121.038 120.500 -0.157 0.000 2.637 304 R HA 0.404 4.743 4.340 -0.001 0.000 0.291 304 R C -0.209 176.151 176.300 0.099 0.000 0.963 304 R CA -0.657 55.426 56.100 -0.027 0.000 0.901 304 R CB 1.225 31.488 30.300 -0.061 0.000 1.160 304 R HN 0.387 nan 8.270 nan 0.000 0.457 305 T N 3.829 118.430 114.554 0.077 0.000 2.905 305 T HA 0.016 4.365 4.350 -0.001 0.000 0.299 305 T C 0.714 175.396 174.700 -0.030 0.000 1.024 305 T CA 0.116 62.228 62.100 0.019 0.000 1.151 305 T CB 0.124 68.987 68.868 -0.009 0.000 0.987 305 T HN 0.198 nan 8.240 nan 0.000 0.535 306 I N 4.063 124.567 120.570 -0.109 0.000 2.471 306 I HA 0.249 4.418 4.170 -0.001 0.000 0.286 306 I C 1.002 177.065 176.117 -0.090 0.000 1.079 306 I CA 0.054 61.290 61.300 -0.106 0.000 1.398 306 I CB 0.091 37.989 38.000 -0.170 0.000 1.403 306 I HN 0.788 nan 8.210 nan 0.000 0.530 307 S N 3.823 119.483 115.700 -0.067 0.000 2.697 307 S HA 0.449 4.918 4.470 -0.001 0.000 0.289 307 S C 0.394 174.962 174.600 -0.053 0.000 1.149 307 S CA -0.766 57.404 58.200 -0.051 0.000 0.850 307 S CB 2.014 65.192 63.200 -0.037 0.000 1.151 307 S HN 0.490 nan 8.310 nan 0.000 0.491 308 D N 0.684 121.063 120.400 -0.034 0.000 2.182 308 D HA -0.089 4.550 4.640 -0.001 0.000 0.201 308 D C 1.646 177.922 176.300 -0.040 0.000 0.986 308 D CA 1.498 55.480 54.000 -0.030 0.000 0.847 308 D CB -0.337 40.460 40.800 -0.004 0.000 0.942 308 D HN 0.517 nan 8.370 nan 0.000 0.467 309 Q N 0.164 119.944 119.800 -0.034 0.000 2.291 309 Q HA -0.071 4.268 4.340 -0.001 0.000 0.205 309 Q C 1.242 177.217 176.000 -0.041 0.000 0.970 309 Q CA 1.145 56.930 55.803 -0.031 0.000 0.876 309 Q CB -0.114 28.611 28.738 -0.022 0.000 0.935 309 Q HN 0.429 nan 8.270 nan 0.000 0.455 310 N N -2.152 116.515 118.700 -0.056 0.000 2.143 310 N HA -0.005 4.734 4.740 -0.001 0.000 0.222 310 N C 1.036 176.494 175.510 -0.087 0.000 1.264 310 N CA 0.211 53.228 53.050 -0.055 0.000 0.897 310 N CB -0.363 38.100 38.487 -0.041 0.000 1.092 310 N HN 0.039 nan 8.380 nan 0.000 0.516 311 V N 0.921 120.749 119.914 -0.143 0.000 2.332 311 V HA -0.171 3.948 4.120 -0.001 0.000 0.248 311 V C 2.301 178.192 176.094 -0.339 0.000 1.055 311 V CA 2.344 64.508 62.300 -0.227 0.000 1.038 311 V CB -0.925 30.739 31.823 -0.265 0.000 0.651 311 V HN 0.440 nan 8.190 nan 0.000 0.450 312 A N -0.313 122.268 122.820 -0.399 0.000 1.902 312 A HA -0.073 4.246 4.320 -0.001 0.000 0.217 312 A C 2.428 180.051 177.584 0.065 0.000 1.181 312 A CA 2.290 54.223 52.037 -0.173 0.000 0.623 312 A CB -1.032 17.984 19.000 0.027 0.000 0.818 312 A HN 0.837 nan 8.150 nan 0.000 0.443 313 A N -0.469 122.364 122.820 0.021 0.000 1.873 313 A HA -0.134 4.185 4.320 -0.001 0.000 0.215 313 A C 2.247 179.869 177.584 0.065 0.000 1.186 313 A CA 1.398 53.466 52.037 0.051 0.000 0.616 313 A CB -0.441 18.572 19.000 0.021 0.000 0.823 313 A HN 0.418 nan 8.150 nan 0.000 0.442 314 R N 0.114 120.645 120.500 0.051 0.000 2.073 314 R HA -0.064 4.275 4.340 -0.001 0.000 0.234 314 R C 2.462 178.804 176.300 0.069 0.000 1.134 314 R CA 1.570 57.756 56.100 0.143 0.000 0.952 314 R CB -1.120 29.265 30.300 0.142 0.000 0.850 314 R HN 0.533 nan 8.270 nan 0.000 0.433 315 S N 1.281 116.975 115.700 -0.010 0.000 2.359 315 S HA -0.182 4.287 4.470 -0.001 0.000 0.224 315 S C 1.576 176.059 174.600 -0.194 0.000 1.035 315 S CA 1.710 59.817 58.200 -0.154 0.000 1.018 315 S CB -0.368 62.871 63.200 0.065 0.000 0.876 315 S HN 0.333 nan 8.310 nan 0.000 0.448 316 D N 1.079 121.561 120.400 0.136 0.000 2.123 316 D HA -0.062 4.577 4.640 -0.001 0.000 0.196 316 D C 1.870 178.180 176.300 0.015 0.000 0.992 316 D CA 0.846 54.979 54.000 0.222 0.000 0.833 316 D CB -0.227 40.737 40.800 0.273 0.000 0.954 316 D HN 0.238 nan 8.370 nan 0.000 0.455 317 L N -0.286 120.918 121.223 -0.031 0.000 2.017 317 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 317 L C 2.318 178.999 176.870 -0.316 0.000 1.073 317 L CA 0.757 55.551 54.840 -0.075 0.000 0.745 317 L CB -0.319 41.774 42.059 0.057 0.000 0.894 317 L HN 0.230 nan 8.230 nan 0.000 0.432 318 L N -0.789 120.055 121.223 -0.633 0.000 2.027 318 L HA -0.131 4.208 4.340 -0.001 0.000 0.206 318 L C 2.324 178.492 176.870 -1.170 0.000 1.074 318 L CA 1.569 55.687 54.840 -1.203 0.000 0.745 318 L CB -0.442 40.597 42.059 -1.700 0.000 0.898 318 L HN -0.067 nan 8.230 nan 0.000 0.433 319 V N 0.097 119.457 119.914 -0.923 0.000 2.392 319 V HA -0.311 3.808 4.120 -0.001 0.000 0.249 319 V C 2.329 178.262 176.094 -0.268 0.000 1.059 319 V CA 1.944 63.875 62.300 -0.616 0.000 1.051 319 V CB -0.849 30.608 31.823 -0.611 0.000 0.658 319 V HN 0.595 nan 8.190 nan 0.000 0.455 320 D N -0.763 119.535 120.400 -0.169 0.000 2.117 320 D HA -0.199 4.440 4.640 -0.001 0.000 0.197 320 D C 2.223 178.498 176.300 -0.041 0.000 0.987 320 D CA 1.080 55.093 54.000 0.021 0.000 0.829 320 D CB -0.029 40.832 40.800 0.101 0.000 0.961 320 D HN 0.290 nan 8.370 nan 0.000 0.460 321 Q N -0.459 119.245 119.800 -0.160 0.000 2.096 321 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 321 Q C 2.093 178.109 176.000 0.027 0.000 0.982 321 Q CA 1.045 56.776 55.803 -0.121 0.000 0.850 321 Q CB -0.603 27.995 28.738 -0.234 0.000 0.901 321 Q HN 0.562 nan 8.270 nan 0.000 0.422 322 W N 1.356 122.550 121.300 -0.177 0.000 2.381 322 W HA -0.052 4.607 4.660 -0.001 0.000 0.301 322 W C 2.090 178.492 176.519 -0.194 0.000 1.205 322 W CA 0.611 57.852 57.345 -0.175 0.000 1.285 322 W CB -0.573 28.756 29.460 -0.217 0.000 1.133 322 W HN 0.214 nan 8.180 nan 0.000 0.521 323 K N 0.237 120.604 120.400 -0.055 0.000 2.097 323 K HA -0.152 4.168 4.320 -0.001 0.000 0.205 323 K C 1.941 178.383 176.600 -0.264 0.000 1.050 323 K CA 1.326 57.419 56.287 -0.325 0.000 0.938 323 K CB -0.209 31.788 32.500 -0.839 0.000 0.718 323 K HN 0.063 nan 8.250 nan 0.000 0.442 324 K N 0.982 121.315 120.400 -0.112 0.000 2.025 324 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 324 K C 2.114 178.780 176.600 0.111 0.000 1.049 324 K CA 1.145 57.488 56.287 0.094 0.000 0.933 324 K CB 0.005 32.581 32.500 0.126 0.000 0.714 324 K HN 0.010 nan 8.250 nan 0.000 0.438 325 K N 0.810 121.283 120.400 0.121 0.000 2.063 325 K HA -0.147 4.172 4.320 -0.001 0.000 0.208 325 K C 2.054 178.768 176.600 0.190 0.000 1.048 325 K CA 1.353 57.736 56.287 0.160 0.000 0.928 325 K CB -0.116 32.498 32.500 0.190 0.000 0.713 325 K HN 0.143 nan 8.250 nan 0.000 0.442 326 A N 1.263 124.176 122.820 0.154 0.000 2.019 326 A HA -0.151 4.168 4.320 -0.001 0.000 0.219 326 A C 1.756 179.508 177.584 0.281 0.000 1.164 326 A CA 1.420 53.588 52.037 0.217 0.000 0.644 326 A CB -0.389 18.694 19.000 0.139 0.000 0.805 326 A HN 0.320 nan 8.150 nan 0.000 0.449 327 E N 0.068 120.408 120.200 0.235 0.000 2.267 327 E HA -0.133 4.217 4.350 -0.001 0.000 0.197 327 E C 1.614 178.341 176.600 0.211 0.000 0.998 327 E CA 0.770 57.319 56.400 0.247 0.000 0.830 327 E CB -0.301 29.569 29.700 0.283 0.000 0.751 327 E HN 0.737 nan 8.360 nan 0.000 0.491 328 L N -0.836 120.472 121.223 0.143 0.000 2.591 328 L HA 0.050 4.390 4.340 -0.001 0.000 0.228 328 L C 0.147 176.823 176.870 -0.323 0.000 1.133 328 L CA 0.178 54.974 54.840 -0.074 0.000 0.880 328 L CB -0.067 41.831 42.059 -0.269 0.000 1.033 328 L HN -0.013 nan 8.230 nan 0.000 0.450 329 Y N -1.506 118.876 120.300 0.137 0.000 2.602 329 Y HA 0.385 4.934 4.550 -0.001 0.000 0.342 329 Y C 1.119 177.139 175.900 0.199 0.000 1.029 329 Y CA -1.013 57.191 58.100 0.173 0.000 1.080 329 Y CB 1.225 39.797 38.460 0.187 0.000 1.284 329 Y HN -0.266 nan 8.280 nan 0.000 0.485 330 R N -0.491 120.246 120.500 0.396 0.000 2.254 330 R HA 0.077 4.416 4.340 -0.001 0.000 0.195 330 R C 0.379 176.815 176.300 0.228 0.000 0.957 330 R CA 0.780 57.028 56.100 0.247 0.000 1.024 330 R CB 0.177 30.552 30.300 0.125 0.000 0.952 330 R HN 0.747 nan 8.270 nan 0.000 0.484 331 T N -0.703 114.034 114.554 0.305 0.000 2.922 331 T HA 0.100 4.449 4.350 -0.001 0.000 0.281 331 T C 0.634 175.489 174.700 0.258 0.000 1.005 331 T CA -0.956 61.289 62.100 0.243 0.000 0.982 331 T CB 1.244 70.236 68.868 0.207 0.000 1.158 331 T HN 0.083 nan 8.240 nan 0.000 0.566 332 N N 0.209 119.035 118.700 0.209 0.000 2.346 332 N HA 0.134 4.873 4.740 -0.001 0.000 0.225 332 N C -0.754 174.753 175.510 -0.004 0.000 1.144 332 N CA -0.368 52.769 53.050 0.146 0.000 0.837 332 N CB -0.215 38.268 38.487 -0.008 0.000 1.069 332 N HN 0.374 nan 8.380 nan 0.000 0.487 333 V N 1.232 121.177 119.914 0.053 0.000 2.444 333 V HA 0.424 4.543 4.120 -0.001 0.000 0.294 333 V C -0.689 175.497 176.094 0.154 0.000 1.022 333 V CA -0.973 61.356 62.300 0.049 0.000 0.850 333 V CB 1.599 33.431 31.823 0.015 0.000 0.992 333 V HN 0.198 nan 8.190 nan 0.000 0.426 334 L N 5.791 127.042 121.223 0.046 0.000 2.341 334 L HA 0.708 5.047 4.340 -0.001 0.000 0.278 334 L C -0.913 175.807 176.870 -0.249 0.000 1.005 334 L CA -0.481 54.297 54.840 -0.103 0.000 0.818 334 L CB 1.701 43.599 42.059 -0.268 0.000 1.259 334 L HN 0.633 nan 8.230 nan 0.000 0.418 335 L N 6.298 127.149 121.223 -0.621 0.000 2.275 335 L HA 0.578 4.918 4.340 -0.001 0.000 0.288 335 L C -1.071 175.486 176.870 -0.522 0.000 1.046 335 L CA 0.114 54.411 54.840 -0.905 0.000 0.805 335 L CB 0.853 41.911 42.059 -1.668 0.000 1.193 335 L HN 0.451 nan 8.230 nan 0.000 0.426 336 I N 7.279 127.630 120.570 -0.365 0.000 2.537 336 I HA 0.335 4.505 4.170 -0.001 0.000 0.276 336 I C -2.283 173.803 176.117 -0.050 0.000 1.063 336 I CA -1.946 59.238 61.300 -0.194 0.000 1.144 336 I CB 1.042 38.894 38.000 -0.247 0.000 1.252 336 I HN 0.435 nan 8.210 nan 0.000 0.480 337 P HA 0.114 nan 4.420 nan 0.000 0.267 337 P C -0.449 177.032 177.300 0.302 0.000 1.200 337 P CA -0.166 63.055 63.100 0.202 0.000 0.772 337 P CB 0.781 32.633 31.700 0.253 0.000 0.855 338 L N 3.045 124.493 121.223 0.376 0.000 2.454 338 L HA 0.764 5.103 4.340 -0.001 0.000 0.258 338 L C -0.112 176.845 176.870 0.145 0.000 1.025 338 L CA 0.379 55.366 54.840 0.245 0.000 0.901 338 L CB 0.480 42.613 42.059 0.123 0.000 1.210 338 L HN 0.606 nan 8.230 nan 0.000 0.457 339 G N 1.825 110.612 108.800 -0.022 0.000 0.000 339 G HA2 0.470 4.429 3.960 -0.001 0.000 0.000 339 G HA3 0.470 4.429 3.960 -0.001 0.000 0.000 339 G C -2.250 172.559 174.900 -0.152 0.000 0.000 339 G CA -0.272 44.558 45.100 -0.450 0.000 0.000 339 G HN 0.415 nan 8.290 nan 0.000 0.000 340 D N -1.615 118.753 120.400 -0.055 0.000 2.792 340 D HA 0.306 4.945 4.640 -0.001 0.000 0.335 340 D C -1.446 175.002 176.300 0.247 0.000 1.353 340 D CA -0.447 53.695 54.000 0.237 0.000 0.839 340 D CB 1.510 42.398 40.800 0.147 0.000 1.396 340 D HN 0.225 nan 8.370 nan 0.000 0.479 341 D N 0.561 121.168 120.400 0.345 0.000 2.450 341 D HA 0.165 4.804 4.640 -0.001 0.000 0.247 341 D C 0.307 176.765 176.300 0.262 0.000 1.162 341 D CA 0.541 54.722 54.000 0.302 0.000 0.879 341 D CB -0.319 40.771 40.800 0.484 0.000 1.163 341 D HN 0.346 nan 8.370 nan 0.000 0.472 342 F N 0.149 120.164 119.950 0.109 0.000 3.090 342 F HA -0.309 4.217 4.527 -0.001 0.000 0.282 342 F C 1.103 176.946 175.800 0.072 0.000 0.923 342 F CA 0.624 58.666 58.000 0.070 0.000 0.977 342 F CB -0.937 38.099 39.000 0.060 0.000 0.954 342 F HN 0.234 nan 8.300 nan 0.000 0.695 343 R N -0.430 120.147 120.500 0.128 0.000 2.649 343 R HA 0.423 4.762 4.340 -0.001 0.000 0.270 343 R C 0.777 177.116 176.300 0.065 0.000 1.105 343 R CA -0.578 55.498 56.100 -0.041 0.000 1.193 343 R CB -0.126 30.049 30.300 -0.209 0.000 1.120 343 R HN 0.207 nan 8.270 nan 0.000 0.561 344 F N -0.941 118.843 119.950 -0.276 0.000 3.080 344 F HA -0.280 4.247 4.527 -0.001 0.000 0.292 344 F C 1.394 177.158 175.800 -0.061 0.000 0.891 344 F CA 1.099 58.753 58.000 -0.576 0.000 1.086 344 F CB -1.167 37.190 39.000 -1.071 0.000 1.095 344 F HN 0.616 nan 8.300 nan 0.000 0.633 345 K N -0.061 120.394 120.400 0.092 0.000 2.029 345 K HA -0.007 4.313 4.320 -0.001 0.000 0.205 345 K C 0.674 177.415 176.600 0.235 0.000 1.042 345 K CA 0.950 57.363 56.287 0.211 0.000 0.949 345 K CB 0.151 32.756 32.500 0.174 0.000 0.740 345 K HN 0.261 nan 8.250 nan 0.000 0.442 346 Q N 1.067 120.969 119.800 0.170 0.000 2.288 346 Q HA 0.127 4.466 4.340 -0.001 0.000 0.254 346 Q C 0.204 176.380 176.000 0.293 0.000 0.932 346 Q CA 0.106 56.043 55.803 0.224 0.000 0.902 346 Q CB 1.301 30.230 28.738 0.318 0.000 1.203 346 Q HN 0.272 nan 8.270 nan 0.000 0.415 347 N N 0.256 119.127 118.700 0.286 0.000 2.091 347 N HA -0.260 4.479 4.740 -0.001 0.000 0.193 347 N C 1.315 176.991 175.510 0.277 0.000 1.021 347 N CA 1.869 55.114 53.050 0.325 0.000 0.862 347 N CB -0.069 38.610 38.487 0.320 0.000 1.018 347 N HN 0.775 nan 8.380 nan 0.000 0.429 348 T N -1.340 113.376 114.554 0.270 0.000 2.881 348 T HA -0.192 4.158 4.350 -0.001 0.000 0.270 348 T C 1.630 176.515 174.700 0.308 0.000 1.068 348 T CA 1.243 63.519 62.100 0.293 0.000 1.131 348 T CB -0.232 68.810 68.868 0.289 0.000 0.871 348 T HN 0.349 nan 8.240 nan 0.000 0.479 349 E N -0.298 120.014 120.200 0.187 0.000 2.072 349 E HA -0.094 4.255 4.350 -0.001 0.000 0.190 349 E C 1.825 178.315 176.600 -0.183 0.000 0.982 349 E CA 0.653 56.923 56.400 -0.216 0.000 0.803 349 E CB -0.270 29.105 29.700 -0.543 0.000 0.755 349 E HN 0.710 nan 8.360 nan 0.000 0.453 350 W N 1.783 122.975 121.300 -0.180 0.000 2.335 350 W HA -0.201 4.459 4.660 -0.001 0.000 0.311 350 W C 2.128 178.582 176.519 -0.109 0.000 1.213 350 W CA 1.386 58.595 57.345 -0.226 0.000 1.274 350 W CB -0.301 28.599 29.460 -0.934 0.000 1.148 350 W HN 0.189 nan 8.180 nan 0.000 0.498 351 D N -0.614 119.897 120.400 0.184 0.000 2.097 351 D HA -0.172 4.467 4.640 -0.001 0.000 0.195 351 D C 2.287 178.666 176.300 0.132 0.000 0.989 351 D CA 1.457 55.576 54.000 0.198 0.000 0.827 351 D CB -0.978 39.945 40.800 0.206 0.000 0.966 351 D HN 0.008 nan 8.370 nan 0.000 0.456 352 V N 0.902 120.884 119.914 0.113 0.000 2.427 352 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 352 V C 2.226 178.348 176.094 0.046 0.000 1.051 352 V CA 1.525 63.872 62.300 0.079 0.000 1.048 352 V CB -0.101 31.819 31.823 0.163 0.000 0.666 352 V HN 0.161 nan 8.190 nan 0.000 0.456 353 Q N -0.253 119.611 119.800 0.106 0.000 2.046 353 Q HA -0.221 4.119 4.340 -0.001 0.000 0.200 353 Q C 2.340 178.524 176.000 0.307 0.000 0.975 353 Q CA 2.065 58.027 55.803 0.265 0.000 0.836 353 Q CB -0.474 28.392 28.738 0.214 0.000 0.896 353 Q HN 0.621 nan 8.270 nan 0.000 0.428 354 R N 0.423 121.067 120.500 0.240 0.000 2.066 354 R HA -0.078 4.261 4.340 -0.001 0.000 0.232 354 R C 2.274 178.728 176.300 0.257 0.000 1.131 354 R CA 1.141 57.427 56.100 0.310 0.000 0.955 354 R CB -0.035 30.413 30.300 0.246 0.000 0.851 354 R HN 0.051 nan 8.270 nan 0.000 0.432 355 V N 2.021 122.002 119.914 0.112 0.000 2.358 355 V HA -0.234 3.885 4.120 -0.001 0.000 0.246 355 V C 1.995 178.022 176.094 -0.111 0.000 1.047 355 V CA 1.843 64.159 62.300 0.028 0.000 1.035 355 V CB -0.601 31.230 31.823 0.012 0.000 0.658 355 V HN 0.436 nan 8.190 nan 0.000 0.452 356 N N -0.737 117.783 118.700 -0.300 0.000 2.142 356 N HA -0.153 4.586 4.740 -0.001 0.000 0.186 356 N C 1.852 177.033 175.510 -0.548 0.000 1.023 356 N CA 1.587 54.241 53.050 -0.660 0.000 0.852 356 N CB -0.299 37.171 38.487 -1.695 0.000 0.998 356 N HN 0.530 nan 8.380 nan 0.000 0.424 357 Y N 1.980 122.067 120.300 -0.355 0.000 2.242 357 Y HA -0.067 4.482 4.550 -0.001 0.000 0.291 357 Y C 2.385 177.764 175.900 -0.867 0.000 1.137 357 Y CA 0.970 58.732 58.100 -0.565 0.000 1.181 357 Y CB -0.107 38.062 38.460 -0.486 0.000 0.989 357 Y HN 0.122 nan 8.280 nan 0.000 0.527 358 E N -0.062 119.995 120.200 -0.239 0.000 2.085 358 E HA -0.260 4.090 4.350 -0.001 0.000 0.194 358 E C 2.221 178.783 176.600 -0.062 0.000 0.994 358 E CA 1.356 57.713 56.400 -0.071 0.000 0.801 358 E CB -0.177 29.595 29.700 0.119 0.000 0.743 358 E HN 0.483 nan 8.360 nan 0.000 0.453 359 R N 0.396 120.833 120.500 -0.105 0.000 2.081 359 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 359 R C 2.540 178.818 176.300 -0.037 0.000 1.131 359 R CA 0.948 57.014 56.100 -0.058 0.000 0.960 359 R CB -0.372 29.872 30.300 -0.093 0.000 0.856 359 R HN 0.158 nan 8.270 nan 0.000 0.436 360 L N -0.263 120.872 121.223 -0.146 0.000 2.012 360 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 360 L C 2.253 179.191 176.870 0.113 0.000 1.073 360 L CA 1.305 56.096 54.840 -0.082 0.000 0.748 360 L CB -0.494 41.426 42.059 -0.231 0.000 0.891 360 L HN 0.086 nan 8.230 nan 0.000 0.431 361 F N 0.230 120.197 119.950 0.028 0.000 2.102 361 F HA -0.218 4.308 4.527 -0.001 0.000 0.298 361 F C 2.660 178.467 175.800 0.012 0.000 1.105 361 F CA 1.382 59.384 58.000 0.003 0.000 1.239 361 F CB -1.031 37.927 39.000 -0.069 0.000 0.991 361 F HN 0.210 nan 8.300 nan 0.000 0.474 362 E N -0.665 119.672 120.200 0.229 0.000 2.070 362 E HA -0.324 4.026 4.350 -0.001 0.000 0.197 362 E C 2.245 178.933 176.600 0.147 0.000 1.004 362 E CA 1.779 58.270 56.400 0.152 0.000 0.805 362 E CB -0.294 29.480 29.700 0.122 0.000 0.744 362 E HN 0.500 nan 8.360 nan 0.000 0.451 363 H N 0.220 119.341 119.070 0.086 0.000 2.299 363 H HA -0.064 4.491 4.556 -0.001 0.000 0.302 363 H C 2.105 177.522 175.328 0.147 0.000 1.078 363 H CA 2.246 58.357 56.048 0.104 0.000 1.323 363 H CB -0.259 29.561 29.762 0.096 0.000 1.381 363 H HN 0.164 nan 8.280 nan 0.000 0.498 364 I N 0.448 121.097 120.570 0.131 0.000 2.151 364 I HA -0.332 3.837 4.170 -0.001 0.000 0.243 364 I C 1.818 177.968 176.117 0.055 0.000 1.080 364 I CA 1.536 62.861 61.300 0.043 0.000 1.339 364 I CB -0.348 37.605 38.000 -0.078 0.000 1.039 364 I HN 0.384 nan 8.210 nan 0.000 0.409 365 N N 0.307 119.028 118.700 0.035 0.000 2.331 365 N HA -0.091 4.648 4.740 -0.001 0.000 0.180 365 N C 1.927 177.427 175.510 -0.017 0.000 1.019 365 N CA 1.156 54.201 53.050 -0.008 0.000 0.881 365 N CB -0.253 38.218 38.487 -0.028 0.000 0.972 365 N HN 0.236 nan 8.380 nan 0.000 0.435 366 S N 0.579 116.265 115.700 -0.023 0.000 2.436 366 S HA 0.033 4.503 4.470 -0.001 0.000 0.228 366 S C 0.570 175.128 174.600 -0.070 0.000 1.014 366 S CA 0.485 58.661 58.200 -0.040 0.000 0.950 366 S CB 0.104 63.285 63.200 -0.031 0.000 0.784 366 S HN 0.278 nan 8.310 nan 0.000 0.504 367 Q N 1.068 120.800 119.800 -0.113 0.000 2.389 367 Q HA 0.429 4.769 4.340 -0.001 0.000 0.244 367 Q C 0.867 176.748 176.000 -0.198 0.000 1.056 367 Q CA -0.183 55.514 55.803 -0.177 0.000 0.908 367 Q CB 0.965 29.493 28.738 -0.349 0.000 1.273 367 Q HN 0.334 nan 8.270 nan 0.000 0.471 368 A N 3.026 125.783 122.820 -0.106 0.000 2.019 368 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 368 A C 1.595 179.122 177.584 -0.095 0.000 1.164 368 A CA 1.807 53.804 52.037 -0.067 0.000 0.644 368 A CB -0.657 18.329 19.000 -0.024 0.000 0.805 368 A HN 0.893 nan 8.150 nan 0.000 0.449 369 H N -3.282 115.709 119.070 -0.131 0.000 2.489 369 H HA -0.037 4.518 4.556 -0.001 0.000 0.293 369 H C 1.338 176.604 175.328 -0.103 0.000 1.066 369 H CA 1.488 57.445 56.048 -0.151 0.000 1.305 369 H CB -0.566 29.055 29.762 -0.235 0.000 1.386 369 H HN 0.401 nan 8.280 nan 0.000 0.551 370 F N 0.989 120.638 119.950 -0.503 0.000 2.259 370 F HA -0.001 4.526 4.527 -0.001 0.000 0.298 370 F C 0.745 176.495 175.800 -0.085 0.000 1.088 370 F CA 0.694 58.549 58.000 -0.242 0.000 1.358 370 F CB -0.349 38.486 39.000 -0.276 0.000 1.040 370 F HN 0.171 nan 8.300 nan 0.000 0.505 371 N N 0.609 119.367 118.700 0.097 0.000 2.725 371 N HA -0.168 4.571 4.740 -0.001 0.000 0.251 371 N C -1.072 174.434 175.510 -0.006 0.000 1.031 371 N CA 0.476 53.564 53.050 0.064 0.000 0.720 371 N CB -1.477 37.090 38.487 0.133 0.000 0.930 371 N HN 0.032 nan 8.380 nan 0.000 0.543 372 V N 0.545 120.445 119.914 -0.023 0.000 2.709 372 V HA 0.411 4.530 4.120 -0.001 0.000 0.308 372 V C 0.073 176.088 176.094 -0.131 0.000 1.062 372 V CA -0.711 61.519 62.300 -0.117 0.000 0.901 372 V CB 2.491 34.274 31.823 -0.067 0.000 1.003 372 V HN 0.217 nan 8.190 nan 0.000 0.425 373 Q N 3.150 122.814 119.800 -0.226 0.000 2.327 373 Q HA 0.777 5.117 4.340 -0.001 0.000 0.270 373 Q C -0.869 174.875 176.000 -0.426 0.000 1.022 373 Q CA -0.148 55.499 55.803 -0.261 0.000 0.773 373 Q CB 1.715 30.308 28.738 -0.241 0.000 1.251 373 Q HN 1.020 nan 8.270 nan 0.000 0.457 374 A N 4.343 126.891 122.820 -0.453 0.000 2.365 374 A HA 0.915 5.234 4.320 -0.001 0.000 0.318 374 A C -1.275 175.621 177.584 -1.148 0.000 1.091 374 A CA -0.546 51.053 52.037 -0.730 0.000 0.763 374 A CB 1.333 20.099 19.000 -0.391 0.000 1.248 374 A HN 0.772 nan 8.150 nan 0.000 0.442 375 Q N 1.071 120.100 119.800 -1.285 0.000 2.575 375 Q HA 0.462 4.802 4.340 -0.001 0.000 0.290 375 Q C -1.614 173.935 176.000 -0.752 0.000 0.963 375 Q CA -0.706 54.374 55.803 -1.205 0.000 0.783 375 Q CB 0.532 28.934 28.738 -0.561 0.000 1.467 375 Q HN 0.390 nan 8.270 nan 0.000 0.402 376 F N 0.602 120.449 119.950 -0.171 0.000 2.563 376 F HA 0.587 5.114 4.527 -0.001 0.000 0.363 376 F C 1.256 177.096 175.800 0.067 0.000 1.123 376 F CA 1.393 59.429 58.000 0.060 0.000 1.307 376 F CB 0.728 39.820 39.000 0.152 0.000 1.115 376 F HN 0.730 nan 8.300 nan 0.000 0.592 377 G N 0.266 109.241 108.800 0.291 0.000 2.708 377 G HA2 0.612 4.571 3.960 -0.001 0.000 0.289 377 G HA3 0.612 4.571 3.960 -0.001 0.000 0.289 377 G C -1.085 173.814 174.900 -0.001 0.000 1.416 377 G CA -0.687 44.533 45.100 0.200 0.000 0.829 377 G HN 0.722 nan 8.290 nan 0.000 0.480 378 T N -1.719 112.753 114.554 -0.136 0.000 2.948 378 T HA 0.453 4.802 4.350 -0.001 0.000 0.285 378 T C 1.332 175.866 174.700 -0.276 0.000 1.019 378 T CA -0.506 61.472 62.100 -0.205 0.000 1.013 378 T CB 1.548 70.309 68.868 -0.177 0.000 1.117 378 T HN 0.514 nan 8.240 nan 0.000 0.533 379 L N 0.569 121.629 121.223 -0.272 0.000 2.042 379 L HA -0.025 4.314 4.340 -0.001 0.000 0.210 379 L C 2.840 179.663 176.870 -0.079 0.000 1.076 379 L CA 1.936 56.648 54.840 -0.213 0.000 0.749 379 L CB -0.873 41.103 42.059 -0.138 0.000 0.893 379 L HN 0.936 nan 8.230 nan 0.000 0.432 380 Q N -0.995 118.782 119.800 -0.039 0.000 2.230 380 Q HA -0.193 4.147 4.340 -0.001 0.000 0.202 380 Q C 1.998 177.924 176.000 -0.123 0.000 0.963 380 Q CA 1.224 57.043 55.803 0.026 0.000 0.866 380 Q CB 0.030 28.762 28.738 -0.010 0.000 0.931 380 Q HN 0.637 nan 8.270 nan 0.000 0.452 381 E N -0.532 119.500 120.200 -0.280 0.000 2.072 381 E HA -0.206 4.143 4.350 -0.001 0.000 0.191 381 E C 1.653 177.782 176.600 -0.785 0.000 0.985 381 E CA 1.079 57.183 56.400 -0.493 0.000 0.801 381 E CB -0.155 29.178 29.700 -0.612 0.000 0.750 381 E HN 0.408 nan 8.360 nan 0.000 0.452 382 Y N 0.681 120.419 120.300 -0.937 0.000 2.070 382 Y HA -0.283 4.267 4.550 -0.001 0.000 0.280 382 Y C 1.927 177.516 175.900 -0.518 0.000 1.148 382 Y CA 1.714 59.294 58.100 -0.867 0.000 1.125 382 Y CB -0.588 37.409 38.460 -0.772 0.000 0.975 382 Y HN -0.062 nan 8.280 nan 0.000 0.492 383 F N 1.098 120.779 119.950 -0.449 0.000 2.126 383 F HA -0.226 4.301 4.527 -0.001 0.000 0.299 383 F C 2.250 177.799 175.800 -0.418 0.000 1.096 383 F CA 1.873 59.575 58.000 -0.497 0.000 1.255 383 F CB -0.923 37.989 39.000 -0.147 0.000 0.997 383 F HN 0.135 nan 8.300 nan 0.000 0.479 384 D N -0.042 120.297 120.400 -0.101 0.000 2.123 384 D HA -0.165 4.474 4.640 -0.001 0.000 0.196 384 D C 2.345 178.565 176.300 -0.134 0.000 0.992 384 D CA 1.536 55.489 54.000 -0.080 0.000 0.833 384 D CB -0.596 40.147 40.800 -0.097 0.000 0.954 384 D HN 0.253 nan 8.370 nan 0.000 0.455 385 A N 0.381 123.061 122.820 -0.232 0.000 1.929 385 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 385 A C 2.517 179.982 177.584 -0.198 0.000 1.176 385 A CA 0.891 52.842 52.037 -0.144 0.000 0.628 385 A CB -0.645 18.355 19.000 0.000 0.000 0.816 385 A HN 0.127 nan 8.150 nan 0.000 0.444 386 V N 0.043 119.702 119.914 -0.426 0.000 2.287 386 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 386 V C 2.429 178.338 176.094 -0.310 0.000 1.053 386 V CA 2.219 64.263 62.300 -0.426 0.000 1.027 386 V CB -1.048 30.318 31.823 -0.763 0.000 0.646 386 V HN 0.651 nan 8.190 nan 0.000 0.447 387 H N -0.341 118.611 119.070 -0.197 0.000 2.462 387 H HA -0.057 4.499 4.556 -0.001 0.000 0.292 387 H C 2.418 177.710 175.328 -0.059 0.000 1.049 387 H CA 1.303 57.266 56.048 -0.142 0.000 1.334 387 H CB -0.044 29.592 29.762 -0.211 0.000 1.404 387 H HN 0.564 nan 8.280 nan 0.000 0.544 388 Q N 0.359 120.176 119.800 0.028 0.000 2.050 388 Q HA -0.061 4.279 4.340 -0.001 0.000 0.202 388 Q C 2.603 178.621 176.000 0.029 0.000 0.980 388 Q CA 1.304 57.120 55.803 0.021 0.000 0.840 388 Q CB -0.042 28.697 28.738 0.002 0.000 0.898 388 Q HN 0.392 nan 8.270 nan 0.000 0.424 389 A N 1.198 124.032 122.820 0.023 0.000 1.908 389 A HA -0.298 4.022 4.320 -0.001 0.000 0.218 389 A C 1.957 179.577 177.584 0.060 0.000 1.181 389 A CA 1.791 53.856 52.037 0.048 0.000 0.627 389 A CB -0.631 18.402 19.000 0.055 0.000 0.818 389 A HN 0.457 nan 8.150 nan 0.000 0.445 390 E N -0.457 119.797 120.200 0.090 0.000 2.051 390 E HA -0.213 4.137 4.350 -0.001 0.000 0.192 390 E C 2.259 178.902 176.600 0.071 0.000 0.991 390 E CA 1.124 57.589 56.400 0.108 0.000 0.799 390 E CB -0.123 29.748 29.700 0.284 0.000 0.748 390 E HN 0.572 nan 8.360 nan 0.000 0.449 391 R N -0.459 120.083 120.500 0.071 0.000 2.189 391 R HA -0.022 4.317 4.340 -0.001 0.000 0.223 391 R C 1.995 178.313 176.300 0.030 0.000 1.092 391 R CA 0.776 56.903 56.100 0.045 0.000 0.989 391 R CB -0.025 30.296 30.300 0.036 0.000 0.876 391 R HN 0.116 nan 8.270 nan 0.000 0.457 392 A N -0.126 122.713 122.820 0.031 0.000 2.238 392 A HA 0.198 4.518 4.320 -0.001 0.000 0.208 392 A C 1.326 178.922 177.584 0.019 0.000 1.177 392 A CA 0.810 52.862 52.037 0.026 0.000 0.804 392 A CB 0.057 19.078 19.000 0.034 0.000 0.823 392 A HN 0.424 nan 8.150 nan 0.000 0.482 393 G N -0.435 108.373 108.800 0.014 0.000 2.141 393 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.231 393 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.231 393 G C 0.788 175.681 174.900 -0.011 0.000 0.984 393 G CA 0.678 45.778 45.100 -0.001 0.000 0.660 393 G HN 0.921 nan 8.290 nan 0.000 0.525 394 Q N -0.326 119.474 119.800 0.001 0.000 2.424 394 Q HA 0.640 4.980 4.340 -0.001 0.000 0.204 394 Q C 0.862 176.838 176.000 -0.040 0.000 0.933 394 Q CA 1.316 57.123 55.803 0.006 0.000 0.929 394 Q CB 0.306 29.087 28.738 0.072 0.000 1.037 394 Q HN 1.657 nan 8.270 nan 0.000 0.511 395 A N 1.007 123.758 122.820 -0.115 0.000 2.589 395 A HA 0.523 4.842 4.320 -0.001 0.000 0.296 395 A C -1.661 175.687 177.584 -0.392 0.000 1.062 395 A CA -0.938 50.932 52.037 -0.279 0.000 0.686 395 A CB 1.333 20.087 19.000 -0.410 0.000 1.282 395 A HN 0.412 nan 8.150 nan 0.000 0.404 396 E N 0.623 120.583 120.200 -0.399 0.000 2.312 396 E HA 0.792 5.141 4.350 -0.001 0.000 0.267 396 E C -1.611 174.754 176.600 -0.391 0.000 0.894 396 E CA -0.646 55.558 56.400 -0.326 0.000 0.773 396 E CB 1.743 31.388 29.700 -0.092 0.000 1.241 396 E HN 0.333 nan 8.360 nan 0.000 0.432 397 F N 1.181 121.233 119.950 0.170 0.000 2.470 397 F HA 0.439 4.965 4.527 -0.000 0.000 0.329 397 F C -1.920 173.974 175.800 0.156 0.000 1.072 397 F CA -2.346 55.773 58.000 0.200 0.000 0.989 397 F CB 1.132 40.325 39.000 0.323 0.000 1.193 397 F HN 0.356 nan 8.300 nan 0.000 0.481 398 P HA 0.205 nan 4.420 nan 0.000 0.276 398 P C -0.702 176.735 177.300 0.229 0.000 1.244 398 P CA -0.393 62.834 63.100 0.211 0.000 0.801 398 P CB 0.903 32.696 31.700 0.155 0.000 1.006 399 T N -0.504 114.136 114.554 0.144 0.000 2.907 399 T HA 0.685 5.034 4.350 -0.001 0.000 0.284 399 T C -0.283 174.443 174.700 0.044 0.000 1.004 399 T CA -0.780 61.397 62.100 0.128 0.000 1.063 399 T CB 1.002 69.925 68.868 0.091 0.000 0.992 399 T HN 0.459 nan 8.240 nan 0.000 0.483 400 L N 1.665 122.911 121.223 0.037 0.000 2.466 400 L HA 0.730 5.070 4.340 -0.001 0.000 0.258 400 L C -0.738 176.115 176.870 -0.027 0.000 0.973 400 L CA -0.432 54.317 54.840 -0.151 0.000 0.826 400 L CB 2.210 43.925 42.059 -0.573 0.000 1.372 400 L HN 1.116 nan 8.230 nan 0.000 0.409 401 S N 2.240 117.882 115.700 -0.096 0.000 2.627 401 S HA 1.060 5.530 4.470 -0.001 0.000 0.283 401 S C -0.312 174.212 174.600 -0.126 0.000 1.127 401 S CA -0.061 58.143 58.200 0.007 0.000 0.863 401 S CB 1.990 65.161 63.200 -0.048 0.000 1.121 401 S HN 1.717 nan 8.310 nan 0.000 0.479 402 G N 0.929 109.715 108.800 -0.024 0.000 2.331 402 G HA2 0.325 4.285 3.960 -0.001 0.000 0.479 402 G HA3 0.325 4.285 3.960 -0.001 0.000 0.479 402 G C -1.779 173.019 174.900 -0.170 0.000 1.262 402 G CA 0.017 45.003 45.100 -0.190 0.000 1.029 402 G HN 1.310 nan 8.290 nan 0.000 0.487 403 D N -1.819 118.331 120.400 -0.416 0.000 2.687 403 D HA 0.757 5.396 4.640 -0.001 0.000 0.264 403 D C -0.658 175.098 176.300 -0.906 0.000 1.091 403 D CA -1.021 52.748 54.000 -0.386 0.000 1.123 403 D CB 0.981 41.754 40.800 -0.045 0.000 1.407 403 D HN 0.405 nan 8.370 nan 0.000 0.591 404 F N -0.498 119.334 119.950 -0.196 0.000 2.623 404 F HA 0.402 4.928 4.527 -0.001 0.000 0.361 404 F C -0.986 174.645 175.800 -0.281 0.000 1.469 404 F CA -0.655 57.230 58.000 -0.192 0.000 1.126 404 F CB 0.181 39.097 39.000 -0.139 0.000 1.221 404 F HN 0.005 nan 8.300 nan 0.000 0.536 405 F N -0.591 119.546 119.950 0.312 0.000 2.538 405 F HA 0.592 5.118 4.527 -0.001 0.000 0.325 405 F C 0.642 176.708 175.800 0.443 0.000 1.066 405 F CA -1.357 56.897 58.000 0.422 0.000 0.946 405 F CB 1.632 40.875 39.000 0.405 0.000 1.199 405 F HN -0.263 nan 8.300 nan 0.000 0.473 406 T N 1.762 116.703 114.554 0.645 0.000 2.837 406 T HA 0.194 4.543 4.350 -0.001 0.000 0.285 406 T C -1.081 174.091 174.700 0.787 0.000 0.984 406 T CA -0.224 62.330 62.100 0.755 0.000 1.049 406 T CB 0.374 69.543 68.868 0.501 0.000 0.947 406 T HN 0.370 nan 8.240 nan 0.000 0.472 407 Y N 2.722 123.356 120.300 0.556 0.000 2.346 407 Y HA 0.485 5.034 4.550 -0.001 0.000 0.330 407 Y C -0.203 175.733 175.900 0.059 0.000 1.178 407 Y CA -1.356 56.897 58.100 0.254 0.000 1.331 407 Y CB 0.161 38.663 38.460 0.069 0.000 1.253 407 Y HN 0.679 nan 8.280 nan 0.000 0.529 408 A N 4.951 127.317 122.820 -0.757 0.000 2.371 408 A HA 0.379 4.698 4.320 -0.001 0.000 0.311 408 A C 0.029 176.943 177.584 -1.117 0.000 1.068 408 A CA -0.247 51.151 52.037 -1.065 0.000 0.744 408 A CB 0.698 18.809 19.000 -1.481 0.000 1.239 408 A HN 0.817 nan 8.150 nan 0.000 0.435 409 D N 1.335 121.235 120.400 -0.834 0.000 2.327 409 D HA 0.041 4.680 4.640 -0.001 0.000 0.205 409 D C 0.514 176.819 176.300 0.009 0.000 0.989 409 D CA 0.583 54.344 54.000 -0.398 0.000 0.873 409 D CB 0.147 40.817 40.800 -0.217 0.000 0.955 409 D HN 0.714 nan 8.370 nan 0.000 0.515 410 R N -2.041 118.414 120.500 -0.076 0.000 2.664 410 R HA 0.423 4.762 4.340 -0.001 0.000 0.260 410 R C -0.150 176.052 176.300 -0.163 0.000 1.062 410 R CA -0.195 55.722 56.100 -0.306 0.000 0.902 410 R CB 0.988 31.194 30.300 -0.157 0.000 1.258 410 R HN -0.101 nan 8.270 nan 0.000 0.465 411 S N 0.433 115.992 115.700 -0.236 0.000 4.054 411 S HA -0.295 4.175 4.470 -0.001 0.000 0.618 411 S C 0.374 175.066 174.600 0.153 0.000 2.026 411 S CA 1.963 60.171 58.200 0.014 0.000 4.205 411 S CB -1.095 62.093 63.200 -0.020 0.000 0.233 411 S HN 1.089 nan 8.310 nan 0.000 0.612 412 D N 1.373 121.848 120.400 0.125 0.000 2.463 412 D HA 0.217 4.857 4.640 -0.001 0.000 0.224 412 D C -0.036 176.370 176.300 0.177 0.000 1.174 412 D CA -0.181 53.961 54.000 0.236 0.000 0.829 412 D CB -1.447 39.483 40.800 0.217 0.000 0.993 412 D HN 0.517 nan 8.370 nan 0.000 0.497 413 N N 0.994 119.698 118.700 0.007 0.000 2.739 413 N HA 0.041 4.781 4.740 -0.001 0.000 0.266 413 N C -0.927 174.589 175.510 0.011 0.000 1.168 413 N CA -0.251 52.811 53.050 0.019 0.000 1.055 413 N CB 0.124 38.619 38.487 0.014 0.000 1.393 413 N HN 0.143 nan 8.380 nan 0.000 0.514 414 Y N 0.321 120.715 120.300 0.157 0.000 2.313 414 Y HA 0.129 4.679 4.550 -0.001 0.000 0.332 414 Y C 0.046 176.151 175.900 0.343 0.000 1.071 414 Y CA -0.700 57.546 58.100 0.244 0.000 1.169 414 Y CB 0.588 39.138 38.460 0.150 0.000 1.192 414 Y HN 0.397 nan 8.280 nan 0.000 0.487 415 W N 2.438 123.871 121.300 0.222 0.000 1.809 415 W HA 0.241 4.900 4.660 -0.001 0.000 0.399 415 W C 0.857 177.447 176.519 0.119 0.000 0.636 415 W CA -0.717 56.794 57.345 0.277 0.000 2.178 415 W CB -0.427 29.299 29.460 0.443 0.000 1.632 415 W HN 0.558 nan 8.180 nan 0.000 0.470 416 S N -2.098 113.645 115.700 0.072 0.000 2.556 416 S HA 0.130 4.599 4.470 -0.001 0.000 0.216 416 S C 1.935 176.257 174.600 -0.462 0.000 0.970 416 S CA 0.362 58.228 58.200 -0.557 0.000 0.912 416 S CB 0.167 63.358 63.200 -0.015 0.000 0.790 416 S HN 0.322 nan 8.310 nan 0.000 0.504 417 G N 1.947 110.682 108.800 -0.109 0.000 2.408 417 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.217 417 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.217 417 G C 1.241 176.119 174.900 -0.037 0.000 1.150 417 G CA 0.890 45.943 45.100 -0.079 0.000 0.776 417 G HN 0.798 nan 8.290 nan 0.000 0.542 418 Y N -0.537 119.734 120.300 -0.048 0.000 2.578 418 Y HA 0.228 4.777 4.550 -0.001 0.000 0.297 418 Y C 1.632 177.671 175.900 0.230 0.000 1.176 418 Y CA -0.577 57.583 58.100 0.100 0.000 1.315 418 Y CB -0.303 38.300 38.460 0.238 0.000 1.031 418 Y HN 0.171 nan 8.280 nan 0.000 0.524 419 Y N 0.445 120.515 120.300 -0.382 0.000 2.616 419 Y HA 0.032 4.581 4.550 -0.001 0.000 0.296 419 Y C 1.525 177.371 175.900 -0.091 0.000 1.154 419 Y CA 0.426 58.341 58.100 -0.309 0.000 1.325 419 Y CB -0.582 37.745 38.460 -0.222 0.000 1.007 419 Y HN 0.310 nan 8.280 nan 0.000 0.542 420 T N -2.846 111.774 114.554 0.110 0.000 3.010 420 T HA 0.069 4.419 4.350 -0.001 0.000 0.253 420 T C 0.663 175.449 174.700 0.143 0.000 0.939 420 T CA -0.091 62.074 62.100 0.109 0.000 0.910 420 T CB 0.015 68.915 68.868 0.053 0.000 1.226 420 T HN -0.066 nan 8.240 nan 0.000 0.508 421 S N 2.633 118.416 115.700 0.138 0.000 2.573 421 S HA 0.158 4.628 4.470 -0.001 0.000 0.297 421 S C 0.402 175.141 174.600 0.231 0.000 1.280 421 S CA 0.051 58.347 58.200 0.159 0.000 1.061 421 S CB 0.049 63.329 63.200 0.134 0.000 0.812 421 S HN 0.418 nan 8.310 nan 0.000 0.500 422 R N 0.955 121.609 120.500 0.256 0.000 3.146 422 R HA -0.121 4.219 4.340 -0.001 0.000 0.250 422 R C -1.967 174.586 176.300 0.421 0.000 0.912 422 R CA 0.715 57.046 56.100 0.385 0.000 0.633 422 R CB -1.775 28.786 30.300 0.435 0.000 1.180 422 R HN 0.529 nan 8.270 nan 0.000 0.464 423 P HA -0.195 nan 4.420 nan 0.000 0.229 423 P C 1.044 178.544 177.300 0.334 0.000 1.160 423 P CA 0.830 64.144 63.100 0.357 0.000 0.777 423 P CB 0.027 31.984 31.700 0.429 0.000 0.814 424 Y N 1.531 121.904 120.300 0.122 0.000 2.181 424 Y HA -0.237 4.312 4.550 -0.001 0.000 0.288 424 Y C 2.235 178.098 175.900 -0.061 0.000 1.146 424 Y CA 2.023 60.111 58.100 -0.020 0.000 1.164 424 Y CB -0.864 37.450 38.460 -0.243 0.000 0.982 424 Y HN 0.053 nan 8.280 nan 0.000 0.515 425 H N -0.851 118.455 119.070 0.392 0.000 2.470 425 H HA 0.026 4.582 4.556 -0.001 0.000 0.289 425 H C 2.056 177.520 175.328 0.227 0.000 1.033 425 H CA 1.181 57.371 56.048 0.238 0.000 1.331 425 H CB -0.050 29.934 29.762 0.370 0.000 1.414 425 H HN 0.225 nan 8.280 nan 0.000 0.545 426 K N 0.380 120.995 120.400 0.358 0.000 2.063 426 K HA -0.179 4.140 4.320 -0.001 0.000 0.208 426 K C 2.243 178.891 176.600 0.080 0.000 1.048 426 K CA 1.353 57.789 56.287 0.247 0.000 0.928 426 K CB 0.060 32.689 32.500 0.217 0.000 0.713 426 K HN 0.034 nan 8.250 nan 0.000 0.442 427 R N 1.344 121.853 120.500 0.015 0.000 2.073 427 R HA 0.021 4.361 4.340 -0.001 0.000 0.229 427 R C 2.040 178.074 176.300 -0.443 0.000 1.120 427 R CA 1.362 57.398 56.100 -0.106 0.000 0.967 427 R CB -0.441 29.881 30.300 0.036 0.000 0.862 427 R HN 0.167 nan 8.270 nan 0.000 0.436 428 M N 0.314 119.506 119.600 -0.680 0.000 2.149 428 M HA -0.192 4.287 4.480 -0.001 0.000 0.261 428 M C 1.402 177.344 176.300 -0.596 0.000 1.064 428 M CA 2.422 57.052 55.300 -1.117 0.000 1.102 428 M CB -0.328 31.782 32.600 -0.816 0.000 1.369 428 M HN 0.268 nan 8.290 nan 0.000 0.408 429 D N -0.196 120.050 120.400 -0.257 0.000 2.133 429 D HA -0.224 4.416 4.640 -0.001 0.000 0.195 429 D C 1.888 178.113 176.300 -0.125 0.000 0.997 429 D CA 1.472 55.434 54.000 -0.064 0.000 0.840 429 D CB 0.128 41.045 40.800 0.195 0.000 0.947 429 D HN 0.238 nan 8.370 nan 0.000 0.452 430 R N -0.013 120.393 120.500 -0.157 0.000 2.090 430 R HA 0.011 4.350 4.340 -0.001 0.000 0.228 430 R C 2.434 178.642 176.300 -0.154 0.000 1.110 430 R CA 0.415 56.433 56.100 -0.137 0.000 0.973 430 R CB -0.916 29.320 30.300 -0.107 0.000 0.869 430 R HN 0.254 nan 8.270 nan 0.000 0.440 431 V N 1.624 121.364 119.914 -0.290 0.000 2.261 431 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 431 V C 2.382 178.400 176.094 -0.126 0.000 1.047 431 V CA 1.655 63.794 62.300 -0.268 0.000 1.015 431 V CB -0.631 30.748 31.823 -0.739 0.000 0.642 431 V HN 0.144 nan 8.190 nan 0.000 0.446 432 L N -0.384 120.666 121.223 -0.288 0.000 2.131 432 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 432 L C 2.305 179.134 176.870 -0.068 0.000 1.092 432 L CA 2.015 56.744 54.840 -0.184 0.000 0.759 432 L CB -0.678 41.239 42.059 -0.236 0.000 0.903 432 L HN 0.345 nan 8.230 nan 0.000 0.435 433 M N -1.357 118.193 119.600 -0.083 0.000 2.106 433 M HA -0.309 4.170 4.480 -0.001 0.000 0.259 433 M C 2.343 178.603 176.300 -0.066 0.000 1.068 433 M CA 2.362 57.605 55.300 -0.095 0.000 1.100 433 M CB -0.366 32.144 32.600 -0.150 0.000 1.351 433 M HN 0.574 nan 8.290 nan 0.000 0.404 434 H N -0.876 118.151 119.070 -0.072 0.000 2.403 434 H HA -0.119 4.436 4.556 -0.001 0.000 0.298 434 H C 1.388 176.709 175.328 -0.011 0.000 1.059 434 H CA 2.095 58.105 56.048 -0.062 0.000 1.363 434 H CB -0.311 29.410 29.762 -0.068 0.000 1.410 434 H HN 0.469 nan 8.280 nan 0.000 0.528 435 Y N -0.497 119.664 120.300 -0.233 0.000 2.314 435 Y HA -0.116 4.433 4.550 -0.001 0.000 0.293 435 Y C 2.615 178.392 175.900 -0.205 0.000 1.129 435 Y CA 1.113 59.075 58.100 -0.230 0.000 1.201 435 Y CB -0.228 38.165 38.460 -0.112 0.000 0.999 435 Y HN 0.111 nan 8.280 nan 0.000 0.541 436 V N 0.223 120.121 119.914 -0.027 0.000 2.261 436 V HA -0.344 3.775 4.120 -0.001 0.000 0.246 436 V C 2.521 178.549 176.094 -0.111 0.000 1.047 436 V CA 2.310 64.567 62.300 -0.072 0.000 1.015 436 V CB -0.587 31.188 31.823 -0.081 0.000 0.642 436 V HN 0.319 nan 8.190 nan 0.000 0.446 437 R N 0.228 120.638 120.500 -0.150 0.000 2.083 437 R HA -0.195 4.144 4.340 -0.001 0.000 0.237 437 R C 2.248 178.472 176.300 -0.126 0.000 1.137 437 R CA 1.956 57.974 56.100 -0.136 0.000 0.951 437 R CB -0.501 29.715 30.300 -0.140 0.000 0.851 437 R HN 0.478 nan 8.270 nan 0.000 0.434 438 A N 0.592 123.270 122.820 -0.237 0.000 1.898 438 A HA -0.038 4.281 4.320 -0.001 0.000 0.216 438 A C 2.367 179.899 177.584 -0.087 0.000 1.181 438 A CA 1.546 53.510 52.037 -0.122 0.000 0.620 438 A CB -0.723 18.108 19.000 -0.281 0.000 0.819 438 A HN 0.569 nan 8.150 nan 0.000 0.442 439 A N -0.148 122.613 122.820 -0.099 0.000 1.902 439 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 439 A C 1.935 179.466 177.584 -0.088 0.000 1.181 439 A CA 1.577 53.569 52.037 -0.074 0.000 0.623 439 A CB -0.508 18.461 19.000 -0.052 0.000 0.818 439 A HN 0.617 nan 8.150 nan 0.000 0.443 440 E N -1.059 119.087 120.200 -0.090 0.000 2.106 440 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 440 E C 2.037 178.569 176.600 -0.112 0.000 0.984 440 E CA 1.293 57.632 56.400 -0.103 0.000 0.806 440 E CB -0.222 29.420 29.700 -0.096 0.000 0.750 440 E HN 0.762 nan 8.360 nan 0.000 0.458 441 M N 0.616 120.173 119.600 -0.072 0.000 2.123 441 M HA -0.114 4.366 4.480 -0.001 0.000 0.263 441 M C 2.129 178.417 176.300 -0.020 0.000 1.069 441 M CA 1.221 56.480 55.300 -0.068 0.000 1.133 441 M CB 0.075 32.731 32.600 0.093 0.000 1.356 441 M HN 0.064 nan 8.290 nan 0.000 0.415 442 L N 0.184 121.446 121.223 0.065 0.000 2.079 442 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 442 L C 2.623 179.646 176.870 0.254 0.000 1.081 442 L CA 1.771 56.709 54.840 0.164 0.000 0.752 442 L CB -0.565 41.439 42.059 -0.091 0.000 0.896 442 L HN 0.518 nan 8.230 nan 0.000 0.433 443 S N -1.067 114.692 115.700 0.099 0.000 2.527 443 S HA 0.081 4.550 4.470 -0.001 0.000 0.222 443 S C 1.964 176.720 174.600 0.261 0.000 0.985 443 S CA 0.366 58.677 58.200 0.184 0.000 0.921 443 S CB 0.030 63.114 63.200 -0.194 0.000 0.772 443 S HN 0.295 nan 8.310 nan 0.000 0.529 444 A N 0.930 123.730 122.820 -0.035 0.000 2.015 444 A HA 0.104 4.423 4.320 -0.001 0.000 0.219 444 A C 1.699 179.144 177.584 -0.232 0.000 1.163 444 A CA 0.757 52.666 52.037 -0.213 0.000 0.646 444 A CB -1.149 17.582 19.000 -0.448 0.000 0.806 444 A HN 0.752 nan 8.150 nan 0.000 0.448 445 W N -0.502 120.800 121.300 0.003 0.000 2.392 445 W HA -0.005 4.655 4.660 -0.001 0.000 0.279 445 W C 0.817 177.075 176.519 -0.436 0.000 1.225 445 W CA 0.978 58.216 57.345 -0.178 0.000 1.233 445 W CB -0.174 29.136 29.460 -0.250 0.000 1.122 445 W HN 0.397 nan 8.180 nan 0.000 0.561 446 H N -2.249 116.900 119.070 0.132 0.000 2.710 446 H HA 0.394 4.949 4.556 -0.001 0.000 0.361 446 H C -0.203 175.057 175.328 -0.113 0.000 1.175 446 H CA -0.988 54.987 56.048 -0.121 0.000 1.206 446 H CB 1.317 30.777 29.762 -0.503 0.000 1.750 446 H HN -0.430 nan 8.280 nan 0.000 0.553 447 S N 0.655 116.337 115.700 -0.030 0.000 2.565 447 S HA 0.165 4.634 4.470 -0.001 0.000 0.274 447 S C -1.028 173.488 174.600 -0.140 0.000 1.309 447 S CA -0.566 57.633 58.200 -0.000 0.000 1.043 447 S CB 0.157 63.358 63.200 0.001 0.000 0.939 447 S HN 0.325 nan 8.310 nan 0.000 0.504 448 W N 1.396 122.698 121.300 0.004 0.000 2.573 448 W HA 0.336 4.996 4.660 -0.001 0.000 0.326 448 W C 0.076 176.559 176.519 -0.060 0.000 1.049 448 W CA -0.931 56.391 57.345 -0.037 0.000 1.220 448 W CB 0.460 29.861 29.460 -0.097 0.000 1.373 448 W HN 0.561 nan 8.180 nan 0.000 0.507 449 D N 0.964 121.440 120.400 0.126 0.000 2.548 449 D HA 0.073 4.712 4.640 -0.001 0.000 0.231 449 D C 1.662 177.973 176.300 0.018 0.000 1.142 449 D CA 1.475 55.522 54.000 0.078 0.000 0.866 449 D CB 1.154 42.034 40.800 0.132 0.000 1.190 449 D HN 0.563 nan 8.370 nan 0.000 0.469 450 G N 3.212 112.031 108.800 0.032 0.000 2.475 450 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.220 450 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.220 450 G C 1.323 176.215 174.900 -0.014 0.000 1.125 450 G CA 0.479 45.587 45.100 0.013 0.000 0.755 450 G HN 0.488 nan 8.290 nan 0.000 0.565 451 M N 0.980 120.588 119.600 0.013 0.000 2.460 451 M HA 0.122 4.602 4.480 -0.001 0.000 0.263 451 M C 2.816 179.069 176.300 -0.079 0.000 1.071 451 M CA 0.793 56.127 55.300 0.057 0.000 1.096 451 M CB -0.822 31.913 32.600 0.224 0.000 1.408 451 M HN 0.327 nan 8.290 nan 0.000 0.463 452 A N -0.073 122.462 122.820 -0.474 0.000 2.066 452 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 452 A C 1.286 178.695 177.584 -0.291 0.000 1.157 452 A CA 0.595 52.141 52.037 -0.819 0.000 0.670 452 A CB -0.317 18.052 19.000 -1.051 0.000 0.804 452 A HN 0.574 nan 8.150 nan 0.000 0.453 453 R N -1.886 118.509 120.500 -0.175 0.000 3.641 453 R HA -0.170 4.169 4.340 -0.001 0.000 0.286 453 R C 0.634 176.843 176.300 -0.151 0.000 1.153 453 R CA 0.634 56.668 56.100 -0.109 0.000 0.775 453 R CB -2.018 28.250 30.300 -0.054 0.000 1.215 453 R HN 0.471 nan 8.270 nan 0.000 0.474 454 I N 0.423 120.857 120.570 -0.227 0.000 2.202 454 I HA -0.191 3.978 4.170 -0.001 0.000 0.242 454 I C 2.162 178.165 176.117 -0.190 0.000 1.091 454 I CA 1.677 62.791 61.300 -0.309 0.000 1.368 454 I CB -0.676 37.009 38.000 -0.524 0.000 1.058 454 I HN 0.236 nan 8.210 nan 0.000 0.410 455 E N 0.926 121.051 120.200 -0.126 0.000 2.077 455 E HA -0.223 4.127 4.350 -0.001 0.000 0.193 455 E C 2.078 178.637 176.600 -0.068 0.000 0.989 455 E CA 1.245 57.597 56.400 -0.080 0.000 0.800 455 E CB -0.120 29.556 29.700 -0.040 0.000 0.746 455 E HN 0.425 nan 8.360 nan 0.000 0.452 456 E N 0.098 120.262 120.200 -0.060 0.000 2.038 456 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 456 E C 2.061 178.627 176.600 -0.057 0.000 1.000 456 E CA 1.148 57.521 56.400 -0.046 0.000 0.803 456 E CB -0.021 29.659 29.700 -0.033 0.000 0.750 456 E HN -0.013 nan 8.360 nan 0.000 0.448 457 R N 0.170 120.626 120.500 -0.075 0.000 2.081 457 R HA -0.026 4.314 4.340 -0.001 0.000 0.235 457 R C 2.292 178.543 176.300 -0.081 0.000 1.131 457 R CA 0.967 57.023 56.100 -0.073 0.000 0.960 457 R CB -0.658 29.592 30.300 -0.083 0.000 0.856 457 R HN 0.202 nan 8.270 nan 0.000 0.436 458 L N -0.103 121.060 121.223 -0.099 0.000 2.141 458 L HA -0.104 4.236 4.340 -0.001 0.000 0.209 458 L C 2.354 179.166 176.870 -0.097 0.000 1.094 458 L CA 1.342 56.123 54.840 -0.099 0.000 0.763 458 L CB -0.404 41.589 42.059 -0.110 0.000 0.908 458 L HN 0.289 nan 8.230 nan 0.000 0.437 459 E N 0.216 120.363 120.200 -0.088 0.000 2.077 459 E HA -0.299 4.050 4.350 -0.001 0.000 0.193 459 E C 2.220 178.751 176.600 -0.115 0.000 0.989 459 E CA 1.269 57.609 56.400 -0.100 0.000 0.800 459 E CB 0.029 29.692 29.700 -0.062 0.000 0.746 459 E HN 0.432 nan 8.360 nan 0.000 0.452 460 Q N 0.006 119.758 119.800 -0.080 0.000 2.050 460 Q HA -0.207 4.132 4.340 -0.001 0.000 0.202 460 Q C 2.080 178.031 176.000 -0.081 0.000 0.980 460 Q CA 1.641 57.404 55.803 -0.068 0.000 0.840 460 Q CB -0.236 28.476 28.738 -0.043 0.000 0.898 460 Q HN 0.339 nan 8.270 nan 0.000 0.424 461 A N 1.162 123.933 122.820 -0.081 0.000 1.883 461 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 461 A C 2.108 179.629 177.584 -0.106 0.000 1.186 461 A CA 1.585 53.573 52.037 -0.081 0.000 0.624 461 A CB -0.586 18.371 19.000 -0.072 0.000 0.822 461 A HN 0.387 nan 8.150 nan 0.000 0.444 462 R N -0.853 119.565 120.500 -0.136 0.000 2.091 462 R HA -0.112 4.228 4.340 -0.001 0.000 0.238 462 R C 2.451 178.602 176.300 -0.250 0.000 1.136 462 R CA 1.690 57.684 56.100 -0.178 0.000 0.959 462 R CB -0.291 29.892 30.300 -0.194 0.000 0.856 462 R HN 0.501 nan 8.270 nan 0.000 0.437 463 R N 0.161 120.483 120.500 -0.297 0.000 2.119 463 R HA -0.045 4.294 4.340 -0.001 0.000 0.222 463 R C 2.071 178.302 176.300 -0.115 0.000 1.088 463 R CA 0.792 56.648 56.100 -0.407 0.000 0.984 463 R CB 0.060 30.152 30.300 -0.347 0.000 0.884 463 R HN 0.212 nan 8.270 nan 0.000 0.447 464 E N 0.808 120.972 120.200 -0.059 0.000 2.107 464 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 464 E C 1.981 178.606 176.600 0.042 0.000 0.982 464 E CA 0.691 57.100 56.400 0.016 0.000 0.809 464 E CB -0.146 29.555 29.700 0.002 0.000 0.756 464 E HN 0.145 nan 8.360 nan 0.000 0.459 465 L N 1.301 122.519 121.223 -0.009 0.000 2.056 465 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 465 L C 2.207 179.115 176.870 0.063 0.000 1.078 465 L CA 1.609 56.462 54.840 0.021 0.000 0.749 465 L CB -0.585 41.453 42.059 -0.035 0.000 0.901 465 L HN -0.100 nan 8.230 nan 0.000 0.433 466 S N -0.322 115.378 115.700 -0.001 0.000 2.359 466 S HA -0.204 4.265 4.470 -0.001 0.000 0.224 466 S C 1.854 176.576 174.600 0.203 0.000 1.035 466 S CA 1.648 59.878 58.200 0.051 0.000 1.018 466 S CB -0.672 62.456 63.200 -0.121 0.000 0.876 466 S HN 0.482 nan 8.310 nan 0.000 0.448 467 L N 0.745 122.126 121.223 0.263 0.000 2.042 467 L HA -0.060 4.280 4.340 -0.001 0.000 0.210 467 L C 1.888 178.842 176.870 0.140 0.000 1.076 467 L CA 1.695 56.682 54.840 0.245 0.000 0.749 467 L CB -0.646 41.527 42.059 0.190 0.000 0.893 467 L HN 0.285 nan 8.230 nan 0.000 0.432 468 F N -0.239 119.671 119.950 -0.068 0.000 2.451 468 F HA -0.128 4.399 4.527 -0.001 0.000 0.299 468 F C 2.177 177.892 175.800 -0.141 0.000 1.101 468 F CA 0.890 58.748 58.000 -0.238 0.000 1.436 468 F CB -0.219 38.676 39.000 -0.175 0.000 1.074 468 F HN 0.259 nan 8.300 nan 0.000 0.553 469 Q N -0.419 119.335 119.800 -0.075 0.000 2.488 469 Q HA -0.131 4.208 4.340 -0.001 0.000 0.211 469 Q C 0.495 176.437 176.000 -0.097 0.000 0.967 469 Q CA 0.410 56.153 55.803 -0.099 0.000 0.926 469 Q CB -1.299 27.452 28.738 0.021 0.000 0.992 469 Q HN 0.478 nan 8.270 nan 0.000 0.506 470 H N 1.928 120.876 119.070 -0.204 0.000 3.016 470 H HA -0.103 4.453 4.556 -0.001 0.000 0.345 470 H C 1.256 176.430 175.328 -0.257 0.000 1.066 470 H CA 0.651 56.579 56.048 -0.200 0.000 1.390 470 H CB 0.562 30.216 29.762 -0.179 0.000 1.344 470 H HN 0.237 nan 8.280 nan 0.000 0.605 471 H N 1.989 120.656 119.070 -0.671 0.000 2.562 471 H HA 0.010 4.565 4.556 -0.001 0.000 0.272 471 H C -0.328 174.589 175.328 -0.685 0.000 1.019 471 H CA 0.593 56.222 56.048 -0.699 0.000 1.160 471 H CB 0.275 29.585 29.762 -0.752 0.000 1.334 471 H HN 0.595 nan 8.280 nan 0.000 0.611 472 D N 0.534 120.244 120.400 -1.150 0.000 2.431 472 D HA 0.112 4.751 4.640 -0.001 0.000 0.213 472 D C 1.650 177.944 176.300 -0.010 0.000 1.130 472 D CA 0.295 54.171 54.000 -0.206 0.000 0.834 472 D CB 0.823 41.759 40.800 0.226 0.000 0.985 472 D HN 0.533 nan 8.370 nan 0.000 0.504 473 G N 1.329 109.882 108.800 -0.412 0.000 2.618 473 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.222 473 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.222 473 G C 1.371 175.602 174.900 -1.116 0.000 1.520 473 G CA -0.218 44.316 45.100 -0.945 0.000 0.930 473 G HN 0.187 nan 8.290 nan 0.000 0.547 474 I N 1.921 121.578 120.570 -1.520 0.000 2.423 474 I HA -0.204 3.966 4.170 -0.001 0.000 0.254 474 I C 2.936 178.965 176.117 -0.148 0.000 1.151 474 I CA 2.122 62.908 61.300 -0.857 0.000 1.421 474 I CB -0.083 37.616 38.000 -0.502 0.000 1.079 474 I HN 0.388 nan 8.210 nan 0.000 0.431 475 T N -1.424 113.090 114.554 -0.066 0.000 2.977 475 T HA -0.017 4.332 4.350 -0.001 0.000 0.271 475 T C 1.534 176.403 174.700 0.281 0.000 1.105 475 T CA 0.633 62.904 62.100 0.286 0.000 1.116 475 T CB -0.756 68.301 68.868 0.315 0.000 0.878 475 T HN 0.655 nan 8.240 nan 0.000 0.509 476 G N 1.616 110.529 108.800 0.189 0.000 2.273 476 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.280 476 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.280 476 G C 0.554 175.538 174.900 0.140 0.000 1.047 476 G CA 0.733 45.961 45.100 0.214 0.000 0.869 476 G HN 1.150 nan 8.290 nan 0.000 0.502 477 T N -3.707 110.926 114.554 0.132 0.000 3.174 477 T HA 0.727 5.076 4.350 -0.001 0.000 0.269 477 T C 1.001 175.898 174.700 0.328 0.000 1.017 477 T CA 1.047 63.153 62.100 0.010 0.000 0.899 477 T CB 0.897 69.621 68.868 -0.240 0.000 1.077 477 T HN 1.529 nan 8.240 nan 0.000 0.552 478 A N 1.396 124.433 122.820 0.361 0.000 2.252 478 A HA 0.673 4.993 4.320 -0.001 0.000 0.305 478 A C 0.257 177.926 177.584 0.142 0.000 1.097 478 A CA -0.873 51.400 52.037 0.394 0.000 0.849 478 A CB 0.688 19.934 19.000 0.411 0.000 1.142 478 A HN 0.442 nan 8.150 nan 0.000 0.499 479 K N -0.406 119.996 120.400 0.003 0.000 2.230 479 K HA 0.169 4.489 4.320 -0.001 0.000 0.253 479 K C 1.195 177.780 176.600 -0.024 0.000 1.008 479 K CA 0.385 56.652 56.287 -0.033 0.000 0.910 479 K CB 0.296 32.761 32.500 -0.060 0.000 0.994 479 K HN 0.726 nan 8.250 nan 0.000 0.495 480 T N 1.280 115.854 114.554 0.034 0.000 2.624 480 T HA -0.225 4.125 4.350 -0.001 0.000 0.268 480 T C 1.688 176.411 174.700 0.039 0.000 1.041 480 T CA 1.946 64.077 62.100 0.053 0.000 1.159 480 T CB -0.458 68.454 68.868 0.073 0.000 0.863 480 T HN 0.708 nan 8.240 nan 0.000 0.434 481 H N 0.445 119.507 119.070 -0.014 0.000 2.462 481 H HA 0.108 4.663 4.556 -0.001 0.000 0.292 481 H C 2.091 177.390 175.328 -0.049 0.000 1.049 481 H CA 0.931 56.964 56.048 -0.025 0.000 1.334 481 H CB -0.773 28.970 29.762 -0.032 0.000 1.404 481 H HN 0.277 nan 8.280 nan 0.000 0.544 482 V N 1.268 120.811 119.914 -0.619 0.000 2.379 482 V HA -0.171 3.948 4.120 -0.001 0.000 0.245 482 V C 3.020 178.915 176.094 -0.332 0.000 1.044 482 V CA 1.130 63.107 62.300 -0.537 0.000 1.036 482 V CB -0.439 31.113 31.823 -0.450 0.000 0.664 482 V HN 0.231 nan 8.190 nan 0.000 0.453 483 V N -0.086 119.769 119.914 -0.099 0.000 2.407 483 V HA -0.225 3.894 4.120 -0.001 0.000 0.248 483 V C 2.455 178.527 176.094 -0.035 0.000 1.055 483 V CA 1.862 64.176 62.300 0.023 0.000 1.049 483 V CB -0.425 31.378 31.823 -0.033 0.000 0.662 483 V HN 0.417 nan 8.190 nan 0.000 0.455 484 V N 0.413 120.312 119.914 -0.025 0.000 2.343 484 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 484 V C 2.309 178.419 176.094 0.027 0.000 1.051 484 V CA 2.421 64.738 62.300 0.029 0.000 1.036 484 V CB -0.679 31.173 31.823 0.048 0.000 0.654 484 V HN 0.650 nan 8.190 nan 0.000 0.451 485 D N -1.011 119.363 120.400 -0.044 0.000 2.097 485 D HA -0.207 4.433 4.640 -0.001 0.000 0.195 485 D C 1.999 178.311 176.300 0.021 0.000 0.989 485 D CA 1.572 55.543 54.000 -0.049 0.000 0.827 485 D CB -0.159 40.551 40.800 -0.149 0.000 0.966 485 D HN 0.483 nan 8.370 nan 0.000 0.456 486 Y N 1.000 121.346 120.300 0.077 0.000 2.200 486 Y HA -0.026 4.523 4.550 -0.001 0.000 0.290 486 Y C 2.444 178.320 175.900 -0.041 0.000 1.137 486 Y CA 1.186 59.332 58.100 0.076 0.000 1.163 486 Y CB -0.779 37.811 38.460 0.217 0.000 0.988 486 Y HN 0.136 nan 8.280 nan 0.000 0.518 487 E N 0.227 120.527 120.200 0.167 0.000 2.058 487 E HA -0.282 4.067 4.350 -0.001 0.000 0.194 487 E C 1.967 178.644 176.600 0.129 0.000 0.997 487 E CA 1.700 58.210 56.400 0.184 0.000 0.801 487 E CB -0.050 29.843 29.700 0.322 0.000 0.746 487 E HN 0.588 nan 8.360 nan 0.000 0.450 488 Q N -0.086 119.778 119.800 0.106 0.000 2.124 488 Q HA -0.168 4.171 4.340 -0.001 0.000 0.202 488 Q C 2.335 178.371 176.000 0.061 0.000 0.977 488 Q CA 1.349 57.198 55.803 0.078 0.000 0.850 488 Q CB -0.148 28.628 28.738 0.063 0.000 0.901 488 Q HN 0.199 nan 8.270 nan 0.000 0.429 489 R N 0.210 120.752 120.500 0.071 0.000 2.081 489 R HA -0.064 4.276 4.340 -0.001 0.000 0.235 489 R C 2.268 178.580 176.300 0.019 0.000 1.131 489 R CA 1.488 57.623 56.100 0.058 0.000 0.960 489 R CB -0.174 30.191 30.300 0.107 0.000 0.856 489 R HN 0.305 nan 8.270 nan 0.000 0.436 490 M N -0.009 119.586 119.600 -0.008 0.000 2.229 490 M HA -0.163 4.317 4.480 -0.001 0.000 0.264 490 M C 2.304 178.572 176.300 -0.053 0.000 1.063 490 M CA 1.340 56.593 55.300 -0.077 0.000 1.114 490 M CB -0.110 32.377 32.600 -0.187 0.000 1.387 490 M HN 0.071 nan 8.290 nan 0.000 0.420 491 Q N 0.966 120.771 119.800 0.008 0.000 2.079 491 Q HA -0.168 4.172 4.340 -0.001 0.000 0.200 491 Q C 1.739 177.736 176.000 -0.004 0.000 0.974 491 Q CA 1.569 57.386 55.803 0.025 0.000 0.840 491 Q CB -0.012 28.767 28.738 0.068 0.000 0.898 491 Q HN 0.311 nan 8.270 nan 0.000 0.430 492 E N 0.131 120.332 120.200 0.001 0.000 2.077 492 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 492 E C 1.886 178.471 176.600 -0.024 0.000 0.989 492 E CA 1.273 57.670 56.400 -0.005 0.000 0.800 492 E CB -0.545 29.158 29.700 0.005 0.000 0.746 492 E HN 0.497 nan 8.360 nan 0.000 0.452 493 A N 1.130 123.928 122.820 -0.037 0.000 1.902 493 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 493 A C 2.421 179.963 177.584 -0.070 0.000 1.181 493 A CA 1.082 53.086 52.037 -0.055 0.000 0.623 493 A CB -0.732 18.228 19.000 -0.067 0.000 0.818 493 A HN 0.184 nan 8.150 nan 0.000 0.443 494 L N -0.615 120.543 121.223 -0.107 0.000 2.042 494 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 494 L C 2.616 179.437 176.870 -0.080 0.000 1.076 494 L CA 1.767 56.503 54.840 -0.173 0.000 0.749 494 L CB -0.390 41.517 42.059 -0.253 0.000 0.893 494 L HN 0.369 nan 8.230 nan 0.000 0.432 495 K N -0.223 120.151 120.400 -0.044 0.000 2.057 495 K HA -0.151 4.169 4.320 -0.001 0.000 0.207 495 K C 2.220 178.820 176.600 -0.000 0.000 1.049 495 K CA 1.346 57.626 56.287 -0.012 0.000 0.931 495 K CB -0.256 32.239 32.500 -0.009 0.000 0.714 495 K HN 0.298 nan 8.250 nan 0.000 0.440 496 A N 1.152 123.963 122.820 -0.014 0.000 1.877 496 A HA -0.181 4.139 4.320 -0.001 0.000 0.216 496 A C 2.461 180.040 177.584 -0.008 0.000 1.186 496 A CA 1.482 53.507 52.037 -0.019 0.000 0.620 496 A CB -0.976 18.003 19.000 -0.034 0.000 0.822 496 A HN 0.401 nan 8.150 nan 0.000 0.443 497 C N -1.024 118.283 119.300 0.012 0.000 2.429 497 C HA -0.124 4.336 4.460 -0.001 0.000 0.277 497 C C 2.859 177.917 174.990 0.113 0.000 1.262 497 C CA 1.255 60.307 59.018 0.056 0.000 1.733 497 C CB -1.302 26.514 27.740 0.127 0.000 2.010 497 C HN 0.786 nan 8.230 nan 0.000 0.483 498 Q N 0.210 120.095 119.800 0.143 0.000 2.096 498 Q HA -0.292 4.048 4.340 -0.001 0.000 0.204 498 Q C 2.161 178.243 176.000 0.138 0.000 0.982 498 Q CA 2.113 58.019 55.803 0.172 0.000 0.850 498 Q CB -0.256 28.564 28.738 0.137 0.000 0.901 498 Q HN 0.599 nan 8.270 nan 0.000 0.422 499 M N -0.323 119.322 119.600 0.075 0.000 2.086 499 M HA -0.131 4.349 4.480 -0.001 0.000 0.261 499 M C 1.846 178.167 176.300 0.036 0.000 1.067 499 M CA 1.511 56.845 55.300 0.057 0.000 1.116 499 M CB -0.362 32.250 32.600 0.021 0.000 1.348 499 M HN 0.131 nan 8.290 nan 0.000 0.407 500 V N 0.191 120.090 119.914 -0.026 0.000 2.307 500 V HA -0.295 3.824 4.120 -0.001 0.000 0.245 500 V C 2.408 178.461 176.094 -0.069 0.000 1.045 500 V CA 2.169 64.394 62.300 -0.126 0.000 1.024 500 V CB -0.710 31.011 31.823 -0.171 0.000 0.651 500 V HN 0.548 nan 8.190 nan 0.000 0.449 501 M N 0.311 119.934 119.600 0.039 0.000 2.080 501 M HA -0.267 4.212 4.480 -0.001 0.000 0.260 501 M C 2.384 178.742 176.300 0.096 0.000 1.068 501 M CA 2.450 57.812 55.300 0.103 0.000 1.109 501 M CB -0.486 32.285 32.600 0.286 0.000 1.342 501 M HN 0.543 nan 8.290 nan 0.000 0.405 502 Q N -0.318 119.622 119.800 0.233 0.000 2.123 502 Q HA -0.113 4.226 4.340 -0.001 0.000 0.199 502 Q C 1.840 178.022 176.000 0.303 0.000 0.966 502 Q CA 1.069 57.033 55.803 0.270 0.000 0.845 502 Q CB -0.602 28.403 28.738 0.446 0.000 0.907 502 Q HN 0.405 nan 8.270 nan 0.000 0.439 503 Q N 0.700 120.668 119.800 0.279 0.000 2.096 503 Q HA -0.091 4.249 4.340 -0.001 0.000 0.204 503 Q C 2.300 178.538 176.000 0.398 0.000 0.982 503 Q CA 1.802 57.843 55.803 0.396 0.000 0.850 503 Q CB -0.268 28.616 28.738 0.244 0.000 0.901 503 Q HN 0.518 nan 8.270 nan 0.000 0.422 504 S N 0.374 116.181 115.700 0.179 0.000 2.368 504 S HA -0.096 4.373 4.470 -0.001 0.000 0.225 504 S C 2.217 176.835 174.600 0.031 0.000 1.030 504 S CA 1.124 59.470 58.200 0.243 0.000 0.999 504 S CB -0.255 63.018 63.200 0.121 0.000 0.844 504 S HN 0.134 nan 8.310 nan 0.000 0.459 505 V N 0.803 120.605 119.914 -0.187 0.000 2.295 505 V HA -0.192 3.927 4.120 -0.001 0.000 0.246 505 V C 1.991 178.008 176.094 -0.127 0.000 1.049 505 V CA 1.861 63.906 62.300 -0.425 0.000 1.024 505 V CB -0.795 30.359 31.823 -1.115 0.000 0.648 505 V HN 0.533 nan 8.190 nan 0.000 0.447 506 Y N 1.274 121.585 120.300 0.018 0.000 2.151 506 Y HA -0.300 4.249 4.550 -0.001 0.000 0.284 506 Y C 2.762 178.704 175.900 0.071 0.000 1.166 506 Y CA 2.367 60.572 58.100 0.175 0.000 1.163 506 Y CB -0.328 38.166 38.460 0.056 0.000 0.974 506 Y HN 0.090 nan 8.280 nan 0.000 0.511 507 R N -0.196 120.143 120.500 -0.268 0.000 2.075 507 R HA -0.101 4.239 4.340 -0.001 0.000 0.232 507 R C 2.163 178.091 176.300 -0.620 0.000 1.126 507 R CA 1.581 57.167 56.100 -0.856 0.000 0.963 507 R CB -0.377 29.421 30.300 -0.837 0.000 0.858 507 R HN 0.451 nan 8.270 nan 0.000 0.435 508 L N 0.310 121.315 121.223 -0.362 0.000 2.376 508 L HA -0.044 4.296 4.340 -0.001 0.000 0.219 508 L C 1.382 178.094 176.870 -0.263 0.000 1.133 508 L CA 0.692 55.290 54.840 -0.404 0.000 0.816 508 L CB 0.167 41.832 42.059 -0.657 0.000 0.933 508 L HN 0.238 nan 8.230 nan 0.000 0.449 509 L N -1.377 119.775 121.223 -0.118 0.000 3.014 509 L HA 0.223 4.562 4.340 -0.001 0.000 0.263 509 L C -0.231 176.664 176.870 0.042 0.000 1.207 509 L CA -0.053 54.821 54.840 0.057 0.000 1.017 509 L CB 0.582 42.824 42.059 0.305 0.000 1.360 509 L HN -0.009 nan 8.230 nan 0.000 0.560 510 T N 0.239 114.731 114.554 -0.104 0.000 2.824 510 T HA 0.183 4.533 4.350 -0.001 0.000 0.282 510 T C -0.193 174.415 174.700 -0.154 0.000 0.993 510 T CA -0.555 61.478 62.100 -0.112 0.000 0.967 510 T CB 2.423 71.183 68.868 -0.179 0.000 0.960 510 T HN 0.010 nan 8.240 nan 0.000 0.441 511 K N 3.874 124.203 120.400 -0.119 0.000 2.511 511 K HA 0.010 4.329 4.320 -0.001 0.000 0.280 511 K C -1.707 174.857 176.600 -0.059 0.000 1.008 511 K CA -1.130 55.102 56.287 -0.092 0.000 1.050 511 K CB 0.474 32.928 32.500 -0.077 0.000 0.889 511 K HN 0.162 nan 8.250 nan 0.000 0.484 512 P HA -0.186 nan 4.420 nan 0.000 0.216 512 P C 0.789 178.098 177.300 0.015 0.000 1.150 512 P CA 1.424 64.498 63.100 -0.045 0.000 0.837 512 P CB 0.145 31.813 31.700 -0.054 0.000 0.786 513 S N -2.087 113.614 115.700 0.002 0.000 2.607 513 S HA 0.051 4.520 4.470 -0.001 0.000 0.224 513 S C 1.663 176.275 174.600 0.020 0.000 0.969 513 S CA 0.517 58.723 58.200 0.010 0.000 0.927 513 S CB -1.035 62.163 63.200 -0.002 0.000 0.772 513 S HN 0.112 nan 8.310 nan 0.000 0.533 514 I N -0.755 119.834 120.570 0.033 0.000 3.939 514 I HA 0.197 4.367 4.170 -0.001 0.000 0.313 514 I C 0.457 176.625 176.117 0.086 0.000 1.274 514 I CA -0.350 60.978 61.300 0.046 0.000 1.301 514 I CB -0.079 37.942 38.000 0.036 0.000 1.105 514 I HN 0.266 nan 8.210 nan 0.000 0.427 515 Y N 3.074 123.333 120.300 -0.068 0.000 2.815 515 Y HA -0.052 4.497 4.550 -0.001 0.000 0.346 515 Y C 0.510 176.401 175.900 -0.016 0.000 1.267 515 Y CA 0.027 58.057 58.100 -0.117 0.000 1.604 515 Y CB 0.304 38.624 38.460 -0.235 0.000 1.218 515 Y HN -0.119 nan 8.280 nan 0.000 0.527 516 S N 8.958 124.487 115.700 -0.285 0.000 2.158 516 S HA 0.376 4.846 4.470 -0.001 0.000 0.160 516 S C -2.801 171.625 174.600 -0.290 0.000 1.693 516 S CA -1.253 56.767 58.200 -0.300 0.000 1.251 516 S CB -0.166 62.973 63.200 -0.101 0.000 1.153 516 S HN 0.641 nan 8.310 nan 0.000 0.439 517 P HA 0.306 nan 4.420 nan 0.000 0.280 517 P C -1.063 176.013 177.300 -0.373 0.000 1.244 517 P CA -0.216 62.692 63.100 -0.320 0.000 0.784 517 P CB 0.817 32.266 31.700 -0.419 0.000 0.913 518 D N 2.268 122.629 120.400 -0.065 0.000 2.280 518 D HA 0.137 4.777 4.640 -0.001 0.000 0.236 518 D C 0.134 176.474 176.300 0.067 0.000 1.082 518 D CA -0.638 53.290 54.000 -0.119 0.000 0.834 518 D CB 0.379 41.133 40.800 -0.077 0.000 1.100 518 D HN 0.070 nan 8.370 nan 0.000 0.486 519 F N 1.519 121.593 119.950 0.206 0.000 2.802 519 F HA -0.005 4.521 4.527 -0.001 0.000 0.300 519 F C 2.297 178.192 175.800 0.157 0.000 1.168 519 F CA 0.278 58.408 58.000 0.217 0.000 1.433 519 F CB -0.299 38.810 39.000 0.181 0.000 1.115 519 F HN 0.356 nan 8.300 nan 0.000 0.582 520 S N -1.823 114.036 115.700 0.265 0.000 2.539 520 S HA 0.161 4.630 4.470 -0.001 0.000 0.221 520 S C 0.152 174.828 174.600 0.128 0.000 0.987 520 S CA -0.390 57.912 58.200 0.170 0.000 0.929 520 S CB -0.640 62.634 63.200 0.124 0.000 0.832 520 S HN 0.081 nan 8.310 nan 0.000 0.492 521 F N 2.594 122.496 119.950 -0.080 0.000 2.399 521 F HA 0.626 5.153 4.527 -0.001 0.000 0.328 521 F C -0.095 175.491 175.800 -0.357 0.000 1.084 521 F CA -0.837 56.981 58.000 -0.303 0.000 1.053 521 F CB 1.803 40.472 39.000 -0.551 0.000 1.209 521 F HN -0.055 nan 8.300 nan 0.000 0.502 522 S N 5.187 120.193 115.700 -1.158 0.000 2.415 522 S HA 0.157 4.627 4.470 -0.001 0.000 0.313 522 S C 0.229 174.269 174.600 -0.932 0.000 1.067 522 S CA -0.334 57.398 58.200 -0.781 0.000 1.099 522 S CB -0.145 62.681 63.200 -0.623 0.000 0.991 522 S HN 0.625 nan 8.310 nan 0.000 0.491 523 Y N 1.536 121.641 120.300 -0.325 0.000 2.286 523 Y HA 0.234 4.783 4.550 -0.001 0.000 0.293 523 Y C 0.370 175.736 175.900 -0.889 0.000 1.124 523 Y CA 0.580 58.351 58.100 -0.548 0.000 1.178 523 Y CB 0.150 38.395 38.460 -0.358 0.000 1.010 523 Y HN 0.498 nan 8.280 nan 0.000 0.536 524 F N -1.161 118.768 119.950 -0.035 0.000 2.599 524 F HA 0.448 4.974 4.527 -0.001 0.000 0.311 524 F C -0.014 175.826 175.800 0.067 0.000 1.076 524 F CA -1.502 56.532 58.000 0.055 0.000 0.937 524 F CB 1.649 40.817 39.000 0.279 0.000 1.282 524 F HN -0.386 nan 8.300 nan 0.000 0.460 525 T N 0.391 115.103 114.554 0.263 0.000 2.855 525 T HA 0.690 5.040 4.350 -0.001 0.000 0.281 525 T C -0.534 174.298 174.700 0.221 0.000 1.007 525 T CA -0.810 61.402 62.100 0.188 0.000 1.009 525 T CB 1.143 70.057 68.868 0.076 0.000 0.983 525 T HN 0.518 nan 8.240 nan 0.000 0.455 526 L N 2.024 123.315 121.223 0.114 0.000 2.439 526 L HA 0.393 4.733 4.340 -0.001 0.000 0.269 526 L C 0.139 177.020 176.870 0.019 0.000 1.179 526 L CA -0.200 54.617 54.840 -0.038 0.000 0.828 526 L CB 0.684 42.736 42.059 -0.012 0.000 1.106 526 L HN 0.836 nan 8.230 nan 0.000 0.467 527 D N 1.553 121.939 120.400 -0.023 0.000 2.492 527 D HA 0.224 4.864 4.640 -0.001 0.000 0.248 527 D C -1.289 174.945 176.300 -0.110 0.000 1.101 527 D CA -0.423 53.555 54.000 -0.037 0.000 0.840 527 D CB 1.217 42.025 40.800 0.013 0.000 1.209 527 D HN 0.285 nan 8.370 nan 0.000 0.524 528 D N 2.469 122.823 120.400 -0.076 0.000 2.549 528 D HA 0.193 4.833 4.640 -0.001 0.000 0.251 528 D C 0.040 176.282 176.300 -0.097 0.000 1.153 528 D CA -0.470 53.507 54.000 -0.039 0.000 0.861 528 D CB 1.947 42.828 40.800 0.135 0.000 1.207 528 D HN 0.260 nan 8.370 nan 0.000 0.543 529 S N 2.632 118.247 115.700 -0.143 0.000 2.522 529 S HA 0.028 4.497 4.470 -0.001 0.000 0.227 529 S C 1.299 175.854 174.600 -0.076 0.000 0.986 529 S CA 0.542 58.649 58.200 -0.156 0.000 0.929 529 S CB 0.359 63.456 63.200 -0.171 0.000 0.769 529 S HN 0.499 nan 8.310 nan 0.000 0.529 530 R N -0.681 119.808 120.500 -0.018 0.000 2.549 530 R HA 0.222 4.561 4.340 -0.001 0.000 0.344 530 R C -0.767 175.614 176.300 0.136 0.000 0.979 530 R CA -0.107 56.009 56.100 0.026 0.000 1.140 530 R CB 0.841 31.150 30.300 0.015 0.000 1.377 530 R HN 0.321 nan 8.270 nan 0.000 0.541 531 W N 1.408 122.656 121.300 -0.086 0.000 3.439 531 W HA 0.285 4.945 4.660 -0.001 0.000 0.323 531 W C -2.887 173.578 176.519 -0.091 0.000 1.174 531 W CA -1.888 55.393 57.345 -0.106 0.000 1.224 531 W CB 1.749 31.133 29.460 -0.127 0.000 1.348 531 W HN -0.205 nan 8.180 nan 0.000 0.498 532 P HA 0.082 nan 4.420 nan 0.000 0.225 532 P C 0.419 177.355 177.300 -0.608 0.000 1.148 532 P CA 1.929 64.207 63.100 -1.371 0.000 0.779 532 P CB 0.235 31.379 31.700 -0.927 0.000 0.780 533 G N -0.939 107.680 108.800 -0.303 0.000 2.629 533 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.686 533 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.686 533 G C -0.386 174.446 174.900 -0.113 0.000 1.232 533 G CA -0.437 44.573 45.100 -0.150 0.000 0.803 533 G HN 0.142 nan 8.290 nan 0.000 0.638 534 S N 0.269 115.943 115.700 -0.044 0.000 2.515 534 S HA 0.524 4.993 4.470 -0.001 0.000 0.285 534 S C 1.837 176.429 174.600 -0.013 0.000 1.265 534 S CA 1.798 60.004 58.200 0.009 0.000 1.079 534 S CB 0.157 63.401 63.200 0.073 0.000 0.877 534 S HN 2.749 nan 8.310 nan 0.000 0.493 535 G N 2.899 111.688 108.800 -0.017 0.000 2.179 535 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.260 535 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.260 535 G C 0.570 175.433 174.900 -0.063 0.000 0.977 535 G CA 0.305 45.383 45.100 -0.037 0.000 0.641 535 G HN 0.892 nan 8.290 nan 0.000 0.533 536 V N -0.236 119.624 119.914 -0.090 0.000 2.490 536 V HA 0.393 4.513 4.120 -0.001 0.000 0.238 536 V C 0.931 176.952 176.094 -0.122 0.000 1.056 536 V CA 1.857 64.085 62.300 -0.119 0.000 1.075 536 V CB 0.642 32.357 31.823 -0.180 0.000 0.746 536 V HN 0.527 nan 8.190 nan 0.000 0.479 537 E N 0.324 120.441 120.200 -0.139 0.000 2.275 537 E HA 0.152 4.502 4.350 -0.001 0.000 0.270 537 E C -1.415 175.144 176.600 -0.068 0.000 0.882 537 E CA -0.561 55.773 56.400 -0.110 0.000 0.758 537 E CB 1.758 31.366 29.700 -0.154 0.000 1.195 537 E HN 0.227 nan 8.360 nan 0.000 0.419 538 D N 3.325 123.708 120.400 -0.028 0.000 2.545 538 D HA 0.027 4.666 4.640 -0.001 0.000 0.227 538 D C 0.330 176.632 176.300 0.004 0.000 1.150 538 D CA 0.255 54.261 54.000 0.009 0.000 1.046 538 D CB 0.228 41.044 40.800 0.027 0.000 1.098 538 D HN 0.430 nan 8.370 nan 0.000 0.502 539 S N 1.937 117.626 115.700 -0.017 0.000 2.512 539 S HA 0.179 4.648 4.470 -0.001 0.000 0.216 539 S C 0.978 175.569 174.600 -0.014 0.000 1.006 539 S CA -0.436 57.748 58.200 -0.027 0.000 0.915 539 S CB 0.651 63.812 63.200 -0.065 0.000 0.824 539 S HN 0.205 nan 8.310 nan 0.000 0.497 540 R N 2.743 123.233 120.500 -0.015 0.000 2.441 540 R HA 0.393 4.732 4.340 -0.001 0.000 0.284 540 R C -0.089 176.240 176.300 0.049 0.000 1.070 540 R CA 0.203 56.275 56.100 -0.047 0.000 1.047 540 R CB 0.699 30.850 30.300 -0.248 0.000 1.016 540 R HN 0.456 nan 8.270 nan 0.000 0.477 541 T N -0.828 113.762 114.554 0.059 0.000 2.845 541 T HA 0.216 4.565 4.350 -0.001 0.000 0.288 541 T C 0.237 175.040 174.700 0.172 0.000 0.980 541 T CA -0.813 61.348 62.100 0.102 0.000 1.071 541 T CB 1.478 70.395 68.868 0.083 0.000 0.941 541 T HN 0.335 nan 8.240 nan 0.000 0.487 542 T N 3.762 118.425 114.554 0.181 0.000 2.832 542 T HA 0.345 4.695 4.350 -0.001 0.000 0.296 542 T C 0.595 175.401 174.700 0.176 0.000 0.968 542 T CA -0.491 61.738 62.100 0.216 0.000 1.107 542 T CB 0.123 69.078 68.868 0.146 0.000 0.916 542 T HN 0.564 nan 8.240 nan 0.000 0.517 543 I N 4.488 125.183 120.570 0.209 0.000 2.505 543 I HA 0.104 4.273 4.170 -0.001 0.000 0.287 543 I C 0.081 176.284 176.117 0.143 0.000 1.104 543 I CA -0.190 61.211 61.300 0.168 0.000 1.387 543 I CB 0.222 38.325 38.000 0.171 0.000 1.404 543 I HN 0.346 nan 8.210 nan 0.000 0.528 544 I N 8.299 128.937 120.570 0.114 0.000 2.315 544 I HA 0.425 4.594 4.170 -0.001 0.000 0.291 544 I C 0.001 176.177 176.117 0.097 0.000 1.006 544 I CA -0.277 61.083 61.300 0.100 0.000 1.265 544 I CB 0.768 38.815 38.000 0.078 0.000 1.387 544 I HN 0.441 nan 8.210 nan 0.000 0.475 545 L N 4.979 126.262 121.223 0.101 0.000 2.350 545 L HA 0.954 5.294 4.340 -0.001 0.000 0.260 545 L C 0.055 176.979 176.870 0.090 0.000 1.015 545 L CA -0.584 54.312 54.840 0.094 0.000 0.821 545 L CB 2.656 44.775 42.059 0.100 0.000 1.370 545 L HN 0.729 nan 8.230 nan 0.000 0.416 546 G N 0.182 109.029 108.800 0.079 0.000 2.616 546 G HA2 0.349 4.309 3.960 -0.001 0.000 0.294 546 G HA3 0.349 4.309 3.960 -0.001 0.000 0.294 546 G C -0.486 174.451 174.900 0.062 0.000 1.489 546 G CA -0.442 44.703 45.100 0.075 0.000 0.836 546 G HN 0.610 nan 8.290 nan 0.000 0.527 547 E N 0.204 120.439 120.200 0.058 0.000 2.204 547 E HA -0.041 4.308 4.350 -0.001 0.000 0.195 547 E C 1.182 177.804 176.600 0.037 0.000 0.990 547 E CA 1.226 57.653 56.400 0.044 0.000 0.821 547 E CB 0.345 30.066 29.700 0.036 0.000 0.750 547 E HN 0.476 nan 8.360 nan 0.000 0.477 548 D N -0.573 119.850 120.400 0.039 0.000 2.339 548 D HA 0.127 4.766 4.640 -0.001 0.000 0.217 548 D C 1.305 177.627 176.300 0.036 0.000 1.050 548 D CA 0.303 54.323 54.000 0.034 0.000 0.856 548 D CB 0.630 41.448 40.800 0.031 0.000 0.922 548 D HN 0.216 nan 8.370 nan 0.000 0.518 549 I N -0.815 119.781 120.570 0.043 0.000 3.814 549 I HA 0.113 4.282 4.170 -0.001 0.000 0.264 549 I C -1.164 174.984 176.117 0.053 0.000 1.145 549 I CA 0.116 61.444 61.300 0.046 0.000 1.375 549 I CB 1.236 39.265 38.000 0.048 0.000 1.638 549 I HN -0.207 nan 8.210 nan 0.000 0.432 550 L N 2.362 123.620 121.223 0.058 0.000 2.680 550 L HA 0.464 4.804 4.340 -0.001 0.000 0.260 550 L C -2.472 174.436 176.870 0.063 0.000 0.975 550 L CA -1.003 53.877 54.840 0.066 0.000 0.920 550 L CB 1.609 43.715 42.059 0.078 0.000 1.234 550 L HN -0.156 nan 8.230 nan 0.000 0.429 551 P HA 0.089 nan 4.420 nan 0.000 0.222 551 P C -0.366 176.960 177.300 0.043 0.000 1.153 551 P CA 0.671 63.799 63.100 0.047 0.000 0.798 551 P CB 0.434 32.154 31.700 0.034 0.000 0.796 552 S N -1.301 114.422 115.700 0.038 0.000 2.541 552 S HA 0.565 5.034 4.470 -0.001 0.000 0.271 552 S C -0.966 173.648 174.600 0.023 0.000 1.133 552 S CA -0.585 57.621 58.200 0.010 0.000 0.876 552 S CB 2.382 65.561 63.200 -0.036 0.000 1.105 552 S HN -0.173 nan 8.310 nan 0.000 0.470 553 K N 1.256 121.662 120.400 0.011 0.000 2.482 553 K HA 0.519 4.838 4.320 -0.001 0.000 0.251 553 K C -1.708 174.932 176.600 0.066 0.000 0.936 553 K CA -0.386 55.952 56.287 0.085 0.000 0.791 553 K CB 0.657 33.224 32.500 0.112 0.000 1.213 553 K HN 0.732 nan 8.250 nan 0.000 0.428 554 H N 1.113 120.338 119.070 0.258 0.000 2.646 554 H HA 0.396 4.951 4.556 -0.001 0.000 0.325 554 H C -0.175 175.381 175.328 0.380 0.000 1.075 554 H CA -0.001 56.250 56.048 0.338 0.000 1.421 554 H CB 0.970 31.049 29.762 0.529 0.000 1.461 554 H HN 0.395 nan 8.280 nan 0.000 0.525 555 V N 1.438 121.619 119.914 0.446 0.000 2.769 555 V HA 0.715 4.834 4.120 -0.001 0.000 0.312 555 V C -0.592 175.846 176.094 0.573 0.000 1.061 555 V CA -0.870 61.673 62.300 0.406 0.000 0.931 555 V CB 1.979 33.743 31.823 -0.098 0.000 1.010 555 V HN 0.460 nan 8.190 nan 0.000 0.433 556 V N 4.303 124.573 119.914 0.593 0.000 2.588 556 V HA 0.632 4.751 4.120 -0.001 0.000 0.304 556 V C -0.378 176.069 176.094 0.587 0.000 1.042 556 V CA -0.383 62.224 62.300 0.511 0.000 0.877 556 V CB 1.814 33.769 31.823 0.219 0.000 0.996 556 V HN 0.939 nan 8.190 nan 0.000 0.425 557 M N 4.054 123.968 119.600 0.523 0.000 2.404 557 M HA 0.490 4.969 4.480 -0.001 0.000 0.338 557 M C -0.504 176.051 176.300 0.425 0.000 1.150 557 M CA -0.286 55.291 55.300 0.461 0.000 1.016 557 M CB 1.228 34.049 32.600 0.369 0.000 1.672 557 M HN 0.752 nan 8.290 nan 0.000 0.448 558 H N 1.861 121.125 119.070 0.324 0.000 2.469 558 H HA 0.491 5.047 4.556 -0.001 0.000 0.342 558 H C -1.347 174.084 175.328 0.173 0.000 1.115 558 H CA -0.624 55.576 56.048 0.254 0.000 1.204 558 H CB 1.199 31.166 29.762 0.341 0.000 1.492 558 H HN 0.667 nan 8.280 nan 0.000 0.499 559 N N 3.160 121.623 118.700 -0.396 0.000 2.564 559 N HA 0.036 4.775 4.740 -0.001 0.000 0.248 559 N C 0.421 175.583 175.510 -0.580 0.000 0.986 559 N CA -0.300 52.516 53.050 -0.390 0.000 0.921 559 N CB 1.639 40.011 38.487 -0.191 0.000 1.136 559 N HN 0.639 nan 8.380 nan 0.000 0.509 560 T N 2.985 117.238 114.554 -0.502 0.000 2.962 560 T HA 0.119 4.469 4.350 -0.001 0.000 0.270 560 T C 0.722 175.376 174.700 -0.077 0.000 1.088 560 T CA 0.596 62.571 62.100 -0.209 0.000 1.127 560 T CB -0.248 68.640 68.868 0.033 0.000 0.883 560 T HN 0.426 nan 8.240 nan 0.000 0.493 561 L N 2.817 123.945 121.223 -0.159 0.000 2.397 561 L HA 0.281 4.621 4.340 -0.001 0.000 0.271 561 L C -1.633 175.094 176.870 -0.238 0.000 1.148 561 L CA -1.780 52.932 54.840 -0.214 0.000 0.825 561 L CB 0.620 42.413 42.059 -0.442 0.000 1.117 561 L HN 0.004 nan 8.230 nan 0.000 0.456 562 P HA 0.060 nan 4.420 nan 0.000 0.235 562 P C -0.981 176.354 177.300 0.058 0.000 1.725 562 P CA 0.292 63.387 63.100 -0.010 0.000 0.894 562 P CB -0.366 31.381 31.700 0.079 0.000 1.704 563 H N -3.142 115.949 119.070 0.035 0.000 3.012 563 H HA 0.217 4.773 4.556 -0.001 0.000 0.367 563 H C -1.027 174.327 175.328 0.045 0.000 1.211 563 H CA -1.096 54.996 56.048 0.073 0.000 1.139 563 H CB -0.050 29.786 29.762 0.122 0.000 1.838 563 H HN -0.128 nan 8.280 nan 0.000 0.550 564 W N 1.967 123.387 121.300 0.201 0.000 2.409 564 W HA 0.106 4.765 4.660 -0.001 0.000 0.338 564 W C 0.914 177.551 176.519 0.196 0.000 1.273 564 W CA 0.552 57.983 57.345 0.144 0.000 1.299 564 W CB 0.306 29.834 29.460 0.112 0.000 1.192 564 W HN 0.476 nan 8.180 nan 0.000 0.565 565 R N 2.656 123.351 120.500 0.325 0.000 2.575 565 R HA 0.293 4.633 4.340 -0.001 0.000 0.293 565 R C -0.908 175.529 176.300 0.228 0.000 0.983 565 R CA -0.687 55.563 56.100 0.251 0.000 0.887 565 R CB 1.289 31.658 30.300 0.115 0.000 1.184 565 R HN 0.463 nan 8.270 nan 0.000 0.445 566 E N 2.602 122.915 120.200 0.188 0.000 2.191 566 E HA 0.216 4.566 4.350 -0.001 0.000 0.278 566 E C -1.162 175.485 176.600 0.077 0.000 0.972 566 E CA -0.643 55.841 56.400 0.140 0.000 0.804 566 E CB 2.253 32.030 29.700 0.128 0.000 1.110 566 E HN 0.393 nan 8.360 nan 0.000 0.394 567 Q N 3.187 123.008 119.800 0.035 0.000 2.353 567 Q HA 0.283 4.622 4.340 -0.001 0.000 0.275 567 Q C -1.449 174.505 176.000 -0.078 0.000 1.029 567 Q CA -0.677 55.117 55.803 -0.016 0.000 0.848 567 Q CB 1.519 30.238 28.738 -0.033 0.000 1.390 567 Q HN 0.542 nan 8.270 nan 0.000 0.401 568 L N 3.328 124.499 121.223 -0.086 0.000 2.410 568 L HA 0.314 4.653 4.340 -0.001 0.000 0.273 568 L C 0.182 176.909 176.870 -0.239 0.000 1.152 568 L CA -0.373 54.377 54.840 -0.150 0.000 0.855 568 L CB 0.580 42.590 42.059 -0.081 0.000 1.129 568 L HN 0.450 nan 8.230 nan 0.000 0.463 569 V N -0.411 119.247 119.914 -0.426 0.000 2.815 569 V HA 0.694 4.813 4.120 -0.001 0.000 0.314 569 V C -0.807 175.016 176.094 -0.450 0.000 1.064 569 V CA -0.885 61.137 62.300 -0.464 0.000 0.952 569 V CB 2.104 33.604 31.823 -0.539 0.000 1.020 569 V HN 0.767 nan 8.190 nan 0.000 0.439 570 D N 1.307 121.447 120.400 -0.433 0.000 2.527 570 D HA 0.652 5.291 4.640 -0.001 0.000 0.233 570 D C -1.261 174.741 176.300 -0.497 0.000 1.063 570 D CA -0.462 53.389 54.000 -0.248 0.000 0.880 570 D CB 2.312 43.057 40.800 -0.092 0.000 1.457 570 D HN 0.438 nan 8.370 nan 0.000 0.475 571 F N -0.333 119.683 119.950 0.111 0.000 2.613 571 F HA 0.351 4.878 4.527 -0.001 0.000 0.314 571 F C -0.587 175.371 175.800 0.263 0.000 1.075 571 F CA -1.041 57.035 58.000 0.127 0.000 0.945 571 F CB 1.577 40.697 39.000 0.200 0.000 1.310 571 F HN 0.142 nan 8.300 nan 0.000 0.467 572 Y N 2.083 122.542 120.300 0.266 0.000 2.316 572 Y HA 0.576 5.125 4.550 -0.001 0.000 0.331 572 Y C 0.139 176.162 175.900 0.205 0.000 1.083 572 Y CA -1.498 56.707 58.100 0.175 0.000 1.206 572 Y CB 1.023 39.537 38.460 0.091 0.000 1.195 572 Y HN 0.333 nan 8.280 nan 0.000 0.497 573 V N -0.322 119.791 119.914 0.331 0.000 2.962 573 V HA 0.544 4.663 4.120 -0.001 0.000 0.313 573 V C 0.408 176.649 176.094 0.245 0.000 1.099 573 V CA -0.721 61.739 62.300 0.267 0.000 0.971 573 V CB 1.659 33.639 31.823 0.262 0.000 1.028 573 V HN 0.667 nan 8.190 nan 0.000 0.430 574 S N 0.266 116.092 115.700 0.208 0.000 2.562 574 S HA 0.184 4.654 4.470 -0.001 0.000 0.221 574 S C 0.758 175.536 174.600 0.297 0.000 0.975 574 S CA 0.585 58.904 58.200 0.197 0.000 0.918 574 S CB -0.174 63.107 63.200 0.134 0.000 0.772 574 S HN 1.425 nan 8.310 nan 0.000 0.531 575 S N 1.227 117.086 115.700 0.266 0.000 2.540 575 S HA 0.574 5.044 4.470 -0.001 0.000 0.275 575 S C -2.624 171.859 174.600 -0.194 0.000 1.123 575 S CA -1.452 56.765 58.200 0.028 0.000 0.907 575 S CB 1.943 65.186 63.200 0.071 0.000 1.081 575 S HN 0.003 nan 8.310 nan 0.000 0.476 576 P HA 0.173 nan 4.420 nan 0.000 0.241 576 P C -0.218 176.906 177.300 -0.293 0.000 1.191 576 P CA 0.354 63.082 63.100 -0.620 0.000 0.771 576 P CB -0.194 30.881 31.700 -1.041 0.000 0.929 577 F N 0.698 120.666 119.950 0.029 0.000 2.509 577 F HA 0.268 4.794 4.527 -0.001 0.000 0.344 577 F C 0.460 176.310 175.800 0.084 0.000 1.197 577 F CA -0.986 57.059 58.000 0.075 0.000 1.294 577 F CB 0.028 39.027 39.000 -0.001 0.000 1.643 577 F HN -0.331 nan 8.300 nan 0.000 0.596 578 V N 0.932 120.980 119.914 0.225 0.000 2.760 578 V HA 0.646 4.766 4.120 -0.001 0.000 0.309 578 V C -0.347 175.818 176.094 0.118 0.000 1.077 578 V CA -0.848 61.543 62.300 0.151 0.000 0.910 578 V CB 2.365 34.267 31.823 0.133 0.000 1.008 578 V HN 0.490 nan 8.190 nan 0.000 0.424 579 S N 3.035 118.785 115.700 0.083 0.000 2.638 579 S HA 0.909 5.378 4.470 -0.001 0.000 0.302 579 S C -0.992 173.597 174.600 -0.018 0.000 1.096 579 S CA -0.831 57.400 58.200 0.053 0.000 0.953 579 S CB 2.160 65.409 63.200 0.083 0.000 1.107 579 S HN 0.459 nan 8.310 nan 0.000 0.503 580 V N 1.702 121.573 119.914 -0.072 0.000 2.604 580 V HA 0.801 4.920 4.120 -0.001 0.000 0.305 580 V C -0.047 175.975 176.094 -0.120 0.000 1.043 580 V CA -0.424 61.752 62.300 -0.206 0.000 0.888 580 V CB 1.663 33.171 31.823 -0.524 0.000 0.995 580 V HN 1.227 nan 8.190 nan 0.000 0.429 581 T N -0.347 114.160 114.554 -0.079 0.000 2.901 581 T HA 0.698 5.047 4.350 -0.001 0.000 0.293 581 T C -0.816 173.899 174.700 0.026 0.000 1.084 581 T CA -0.865 61.219 62.100 -0.027 0.000 1.008 581 T CB 2.221 71.064 68.868 -0.042 0.000 1.170 581 T HN 0.707 nan 8.240 nan 0.000 0.509 582 D N 0.730 121.111 120.400 -0.032 0.000 2.539 582 D HA 0.265 4.904 4.640 -0.001 0.000 0.280 582 D C 1.686 177.879 176.300 -0.178 0.000 1.208 582 D CA -1.010 52.850 54.000 -0.232 0.000 1.088 582 D CB -0.011 40.646 40.800 -0.238 0.000 1.149 582 D HN 0.543 nan 8.370 nan 0.000 0.596 583 L N -2.516 118.578 121.223 -0.214 0.000 2.127 583 L HA 0.147 4.487 4.340 -0.001 0.000 0.211 583 L C 1.867 178.683 176.870 -0.090 0.000 1.089 583 L CA 2.147 56.909 54.840 -0.130 0.000 0.757 583 L CB -1.126 40.857 42.059 -0.128 0.000 0.899 583 L HN 0.410 nan 8.230 nan 0.000 0.434 584 A N -0.976 121.794 122.820 -0.084 0.000 2.415 584 A HA 0.178 4.498 4.320 -0.001 0.000 0.248 584 A C 0.949 178.502 177.584 -0.052 0.000 1.299 584 A CA 0.035 52.035 52.037 -0.061 0.000 0.899 584 A CB -0.626 18.343 19.000 -0.053 0.000 0.997 584 A HN 0.540 nan 8.150 nan 0.000 0.506 585 N N 0.311 118.977 118.700 -0.055 0.000 2.753 585 N HA -0.130 4.609 4.740 -0.001 0.000 0.251 585 N C -0.956 174.527 175.510 -0.044 0.000 1.097 585 N CA 0.715 53.738 53.050 -0.046 0.000 0.786 585 N CB -1.352 37.113 38.487 -0.036 0.000 1.137 585 N HN 0.637 nan 8.380 nan 0.000 0.566 586 N N 1.834 120.504 118.700 -0.049 0.000 2.497 586 N HA 0.169 4.909 4.740 -0.001 0.000 0.268 586 N C -2.288 173.177 175.510 -0.075 0.000 1.171 586 N CA -0.498 52.519 53.050 -0.055 0.000 0.948 586 N CB 0.440 38.903 38.487 -0.041 0.000 1.069 586 N HN 0.237 nan 8.380 nan 0.000 0.460 587 P HA 0.027 nan 4.420 nan 0.000 0.268 587 P C -0.445 176.735 177.300 -0.200 0.000 1.205 587 P CA -0.025 62.929 63.100 -0.244 0.000 0.771 587 P CB 0.780 32.107 31.700 -0.622 0.000 0.858 588 V N 2.759 122.601 119.914 -0.121 0.000 2.540 588 V HA 0.219 4.338 4.120 -0.001 0.000 0.302 588 V C 0.560 176.652 176.094 -0.003 0.000 1.035 588 V CA -0.858 61.427 62.300 -0.026 0.000 0.873 588 V CB 1.439 33.274 31.823 0.020 0.000 0.992 588 V HN 0.569 nan 8.190 nan 0.000 0.428 589 E N 2.953 123.185 120.200 0.054 0.000 2.415 589 E HA 0.464 4.813 4.350 -0.001 0.000 0.263 589 E C -0.195 176.481 176.600 0.128 0.000 0.995 589 E CA 0.121 56.584 56.400 0.105 0.000 0.915 589 E CB 0.824 30.589 29.700 0.109 0.000 0.951 589 E HN 0.896 nan 8.360 nan 0.000 0.449 590 A N 4.291 127.176 122.820 0.108 0.000 2.532 590 A HA 0.457 4.777 4.320 -0.001 0.000 0.290 590 A C -1.330 176.279 177.584 0.042 0.000 1.143 590 A CA -0.716 51.398 52.037 0.127 0.000 0.728 590 A CB 1.985 21.059 19.000 0.124 0.000 1.317 590 A HN 0.661 nan 8.150 nan 0.000 0.414 591 Q N 0.656 120.486 119.800 0.049 0.000 2.323 591 Q HA 0.634 4.973 4.340 -0.001 0.000 0.271 591 Q C -2.025 173.972 176.000 -0.004 0.000 1.048 591 Q CA -0.542 55.246 55.803 -0.024 0.000 0.792 591 Q CB 2.209 30.970 28.738 0.038 0.000 1.280 591 Q HN 0.592 nan 8.270 nan 0.000 0.441 592 V N 2.508 122.348 119.914 -0.123 0.000 2.483 592 V HA 0.586 4.705 4.120 -0.001 0.000 0.295 592 V C -0.442 175.828 176.094 0.293 0.000 1.035 592 V CA -0.329 62.017 62.300 0.077 0.000 0.896 592 V CB 1.823 33.672 31.823 0.044 0.000 0.986 592 V HN 0.833 nan 8.190 nan 0.000 0.447 593 S N 4.778 120.666 115.700 0.312 0.000 2.599 593 S HA 0.673 5.143 4.470 -0.001 0.000 0.294 593 S C -2.731 171.877 174.600 0.015 0.000 1.094 593 S CA -1.147 57.197 58.200 0.240 0.000 0.931 593 S CB 2.381 65.692 63.200 0.185 0.000 1.093 593 S HN 0.535 nan 8.310 nan 0.000 0.488 594 P HA 0.211 nan 4.420 nan 0.000 0.273 594 P C -1.141 175.816 177.300 -0.573 0.000 1.250 594 P CA -0.467 62.187 63.100 -0.742 0.000 0.793 594 P CB 0.381 31.249 31.700 -1.388 0.000 1.011 595 V N 1.792 121.318 119.914 -0.647 0.000 2.348 595 V HA 0.183 4.302 4.120 -0.001 0.000 0.270 595 V C -0.551 175.244 176.094 -0.498 0.000 1.037 595 V CA -0.163 61.844 62.300 -0.488 0.000 0.872 595 V CB -0.390 31.056 31.823 -0.629 0.000 1.002 595 V HN 0.516 nan 8.190 nan 0.000 0.464 596 W N 3.715 124.940 121.300 -0.124 0.000 2.433 596 W HA 0.627 5.286 4.660 -0.001 0.000 0.315 596 W C 0.468 176.936 176.519 -0.084 0.000 1.087 596 W CA -0.368 56.895 57.345 -0.136 0.000 1.205 596 W CB 1.773 31.160 29.460 -0.122 0.000 1.288 596 W HN 0.586 nan 8.180 nan 0.000 0.504 597 S N 1.456 117.221 115.700 0.109 0.000 2.568 597 S HA 0.660 5.130 4.470 -0.001 0.000 0.293 597 S C -1.448 173.021 174.600 -0.219 0.000 1.089 597 S CA -0.962 57.248 58.200 0.017 0.000 0.945 597 S CB 1.426 64.624 63.200 -0.004 0.000 1.077 597 S HN 0.432 nan 8.310 nan 0.000 0.485 598 W N 1.026 122.096 121.300 -0.383 0.000 2.627 598 W HA 0.594 5.253 4.660 -0.001 0.000 0.339 598 W C 0.117 176.233 176.519 -0.671 0.000 1.058 598 W CA -0.220 56.912 57.345 -0.354 0.000 1.223 598 W CB 1.259 30.613 29.460 -0.178 0.000 1.389 598 W HN 0.645 nan 8.180 nan 0.000 0.541 599 H N 1.274 120.386 119.070 0.071 0.000 2.865 599 H HA 0.086 4.642 4.556 -0.001 0.000 0.362 599 H C -1.103 174.235 175.328 0.017 0.000 1.114 599 H CA -0.925 55.115 56.048 -0.014 0.000 1.208 599 H CB 1.850 31.532 29.762 -0.133 0.000 1.727 599 H HN 0.373 nan 8.280 nan 0.000 0.534 600 H N 2.275 121.390 119.070 0.074 0.000 3.118 600 H HA 0.029 4.585 4.556 -0.001 0.000 0.266 600 H C -0.491 174.866 175.328 0.047 0.000 1.465 600 H CA -0.495 55.585 56.048 0.053 0.000 1.460 600 H CB -0.435 29.350 29.762 0.038 0.000 1.661 600 H HN 0.460 nan 8.280 nan 0.000 0.516 601 D N 3.430 123.818 120.400 -0.020 0.000 2.398 601 D HA -0.054 4.586 4.640 -0.001 0.000 0.250 601 D C 0.669 176.895 176.300 -0.122 0.000 1.287 601 D CA 0.099 54.075 54.000 -0.040 0.000 0.992 601 D CB 0.102 40.988 40.800 0.143 0.000 1.071 601 D HN 0.625 nan 8.370 nan 0.000 0.514 602 T N 1.265 115.680 114.554 -0.232 0.000 3.366 602 T HA 0.071 4.421 4.350 -0.001 0.000 0.249 602 T C 1.400 176.047 174.700 -0.088 0.000 1.028 602 T CA -0.349 61.616 62.100 -0.225 0.000 0.938 602 T CB -0.122 68.582 68.868 -0.273 0.000 1.046 602 T HN 0.240 nan 8.240 nan 0.000 0.587 603 L N 1.565 122.762 121.223 -0.042 0.000 2.276 603 L HA 0.144 4.483 4.340 -0.001 0.000 0.194 603 L C 2.857 179.730 176.870 0.005 0.000 1.099 603 L CA 1.757 56.589 54.840 -0.013 0.000 0.800 603 L CB -1.491 40.566 42.059 -0.004 0.000 0.994 603 L HN 0.539 nan 8.230 nan 0.000 0.475 604 T N -3.311 111.261 114.554 0.031 0.000 3.160 604 T HA -0.038 4.311 4.350 -0.001 0.000 0.257 604 T C 0.792 175.529 174.700 0.062 0.000 1.147 604 T CA -0.087 62.040 62.100 0.045 0.000 1.064 604 T CB -0.078 68.822 68.868 0.053 0.000 0.949 604 T HN 0.099 nan 8.240 nan 0.000 0.526 605 K N 2.021 122.453 120.400 0.053 0.000 3.035 605 K HA -0.135 4.184 4.320 -0.001 0.000 0.262 605 K C 0.279 176.969 176.600 0.150 0.000 1.024 605 K CA 1.352 57.690 56.287 0.084 0.000 0.748 605 K CB -2.749 29.796 32.500 0.076 0.000 1.247 605 K HN 0.911 nan 8.250 nan 0.000 0.482 606 T N -2.808 111.861 114.554 0.192 0.000 2.932 606 T HA 0.785 5.135 4.350 -0.001 0.000 0.289 606 T C 0.439 175.336 174.700 0.328 0.000 1.039 606 T CA -1.050 61.201 62.100 0.251 0.000 1.024 606 T CB 2.122 71.136 68.868 0.244 0.000 1.090 606 T HN 0.134 nan 8.240 nan 0.000 0.496 607 I N 3.373 124.134 120.570 0.319 0.000 2.328 607 I HA 0.477 4.646 4.170 -0.001 0.000 0.287 607 I C -0.208 176.193 176.117 0.474 0.000 1.012 607 I CA -0.532 60.968 61.300 0.333 0.000 1.195 607 I CB 0.431 38.562 38.000 0.217 0.000 1.350 607 I HN 0.920 nan 8.210 nan 0.000 0.464 608 H N 6.450 125.729 119.070 0.348 0.000 3.008 608 H HA 0.680 5.235 4.556 -0.001 0.000 0.354 608 H C -3.200 171.937 175.328 -0.319 0.000 1.252 608 H CA -2.465 53.626 56.048 0.072 0.000 1.117 608 H CB 1.669 31.450 29.762 0.031 0.000 1.857 608 H HN 0.108 nan 8.280 nan 0.000 0.547 609 P HA 0.234 nan 4.420 nan 0.000 0.284 609 P C -0.995 176.305 177.300 -0.001 0.000 1.258 609 P CA -0.625 61.979 63.100 -0.827 0.000 0.824 609 P CB 1.592 32.524 31.700 -1.280 0.000 1.038 610 Q N 0.469 120.346 119.800 0.129 0.000 2.353 610 Q HA 0.542 4.882 4.340 -0.001 0.000 0.268 610 Q C 0.107 176.194 176.000 0.145 0.000 1.045 610 Q CA -0.573 55.358 55.803 0.213 0.000 0.811 610 Q CB 2.732 31.560 28.738 0.149 0.000 1.305 610 Q HN 0.590 nan 8.270 nan 0.000 0.447 611 G N 0.788 109.530 108.800 -0.098 0.000 2.356 611 G HA2 0.290 4.249 3.960 -0.001 0.000 0.298 611 G HA3 0.290 4.249 3.960 -0.001 0.000 0.298 611 G C -0.134 174.499 174.900 -0.444 0.000 1.145 611 G CA -0.265 44.415 45.100 -0.699 0.000 0.850 611 G HN 0.427 nan 8.290 nan 0.000 0.487 612 S N -0.027 115.362 115.700 -0.518 0.000 2.562 612 S HA 0.258 4.728 4.470 -0.001 0.000 0.281 612 S C 1.580 175.931 174.600 -0.414 0.000 1.333 612 S CA 0.335 58.278 58.200 -0.428 0.000 1.052 612 S CB 0.632 63.520 63.200 -0.521 0.000 0.884 612 S HN 0.909 nan 8.310 nan 0.000 0.506 613 T N 0.006 114.390 114.554 -0.283 0.000 3.092 613 T HA 0.181 4.530 4.350 -0.001 0.000 0.258 613 T C 1.048 175.646 174.700 -0.171 0.000 1.031 613 T CA 0.391 62.390 62.100 -0.169 0.000 0.925 613 T CB -0.163 68.659 68.868 -0.077 0.000 1.036 613 T HN 0.698 nan 8.240 nan 0.000 0.544 614 T N -1.426 112.926 114.554 -0.336 0.000 3.009 614 T HA 0.337 4.687 4.350 -0.001 0.000 0.267 614 T C 0.198 174.674 174.700 -0.375 0.000 0.942 614 T CA -0.483 61.473 62.100 -0.241 0.000 0.883 614 T CB 0.199 68.977 68.868 -0.149 0.000 1.192 614 T HN 0.645 nan 8.240 nan 0.000 0.524 615 K N -0.149 119.789 120.400 -0.770 0.000 2.533 615 K HA 0.673 4.992 4.320 -0.001 0.000 0.272 615 K C -2.106 173.744 176.600 -1.251 0.000 0.985 615 K CA -1.065 54.761 56.287 -0.768 0.000 0.876 615 K CB 1.547 33.797 32.500 -0.416 0.000 1.452 615 K HN 0.103 nan 8.250 nan 0.000 0.439 616 Y N -0.423 119.791 120.300 -0.142 0.000 2.615 616 Y HA 0.479 5.028 4.550 -0.001 0.000 0.341 616 Y C -0.525 175.376 175.900 0.001 0.000 1.089 616 Y CA -1.127 56.915 58.100 -0.096 0.000 1.049 616 Y CB 2.329 40.801 38.460 0.020 0.000 1.296 616 Y HN 0.355 nan 8.280 nan 0.000 0.470 617 R N 1.627 122.245 120.500 0.197 0.000 2.338 617 R HA 0.565 4.904 4.340 -0.001 0.000 0.317 617 R C -1.198 175.268 176.300 0.278 0.000 0.968 617 R CA -0.631 55.634 56.100 0.275 0.000 0.849 617 R CB 1.607 32.047 30.300 0.233 0.000 1.128 617 R HN 0.655 nan 8.270 nan 0.000 0.448 618 I N 4.328 125.089 120.570 0.318 0.000 2.392 618 I HA 0.409 4.578 4.170 -0.001 0.000 0.295 618 I C -0.934 175.374 176.117 0.318 0.000 0.985 618 I CA -0.687 60.794 61.300 0.302 0.000 1.221 618 I CB 0.954 39.145 38.000 0.318 0.000 1.366 618 I HN 0.544 nan 8.210 nan 0.000 0.467 619 I N 7.926 128.654 120.570 0.263 0.000 2.498 619 I HA 0.489 4.659 4.170 -0.001 0.000 0.290 619 I C -1.067 175.202 176.117 0.253 0.000 1.032 619 I CA -0.500 60.897 61.300 0.162 0.000 1.073 619 I CB 1.720 39.775 38.000 0.091 0.000 1.251 619 I HN 0.491 nan 8.210 nan 0.000 0.426 620 F N 2.811 122.788 119.950 0.045 0.000 2.713 620 F HA 0.563 5.089 4.527 -0.001 0.000 0.311 620 F C -1.051 174.732 175.800 -0.029 0.000 1.141 620 F CA -1.337 56.666 58.000 0.005 0.000 0.939 620 F CB 1.278 40.269 39.000 -0.016 0.000 1.325 620 F HN 0.218 nan 8.300 nan 0.000 0.453 621 K N 2.044 122.523 120.400 0.132 0.000 2.316 621 K HA 0.718 5.038 4.320 -0.001 0.000 0.289 621 K C -0.569 176.067 176.600 0.059 0.000 1.070 621 K CA -0.293 56.012 56.287 0.030 0.000 0.928 621 K CB 0.741 33.297 32.500 0.094 0.000 1.039 621 K HN 0.938 nan 8.250 nan 0.000 0.480 622 A N 4.741 127.493 122.820 -0.114 0.000 2.309 622 A HA 0.370 4.690 4.320 -0.001 0.000 0.298 622 A C -0.560 177.157 177.584 0.221 0.000 1.165 622 A CA -0.620 51.423 52.037 0.010 0.000 0.821 622 A CB 0.593 19.561 19.000 -0.053 0.000 1.102 622 A HN 0.882 nan 8.150 nan 0.000 0.500 623 R N 2.026 122.780 120.500 0.424 0.000 2.393 623 R HA 0.620 4.959 4.340 -0.001 0.000 0.315 623 R C -1.880 174.691 176.300 0.452 0.000 0.952 623 R CA -0.253 56.085 56.100 0.396 0.000 0.842 623 R CB 1.392 31.913 30.300 0.368 0.000 1.163 623 R HN 0.501 nan 8.270 nan 0.000 0.450 624 V N 6.194 126.324 119.914 0.359 0.000 2.686 624 V HA 0.420 4.540 4.120 -0.001 0.000 0.306 624 V C -2.294 173.669 176.094 -0.219 0.000 1.065 624 V CA -2.263 60.126 62.300 0.148 0.000 0.894 624 V CB 2.003 33.889 31.823 0.105 0.000 1.004 624 V HN 0.798 nan 8.190 nan 0.000 0.424 625 P HA 0.168 nan 4.420 nan 0.000 0.270 625 P C -2.726 174.081 177.300 -0.822 0.000 1.227 625 P CA -1.095 61.086 63.100 -1.533 0.000 0.788 625 P CB -0.235 30.823 31.700 -1.071 0.000 0.926 626 P HA 0.092 nan 4.420 nan 0.000 0.267 626 P C 0.029 177.290 177.300 -0.064 0.000 1.209 626 P CA 0.576 63.487 63.100 -0.314 0.000 0.763 626 P CB -0.222 31.364 31.700 -0.190 0.000 0.816 627 M N 0.500 120.099 119.600 -0.002 0.000 2.302 627 M HA -0.200 4.279 4.480 -0.001 0.000 0.200 627 M C 0.529 177.025 176.300 0.327 0.000 0.366 627 M CA 0.972 56.411 55.300 0.231 0.000 0.440 627 M CB -2.061 30.753 32.600 0.357 0.000 1.475 627 M HN 0.582 nan 8.290 nan 0.000 0.905 628 G N -0.201 108.653 108.800 0.091 0.000 3.022 628 G HA2 0.938 4.898 3.960 -0.001 0.000 0.284 628 G HA3 0.938 4.898 3.960 -0.001 0.000 0.284 628 G C -1.340 173.681 174.900 0.202 0.000 1.375 628 G CA -0.977 44.146 45.100 0.039 0.000 0.902 628 G HN 0.175 nan 8.290 nan 0.000 0.538 629 L N -0.502 120.820 121.223 0.165 0.000 2.388 629 L HA 0.818 5.158 4.340 -0.001 0.000 0.264 629 L C -0.212 176.741 176.870 0.139 0.000 0.998 629 L CA -1.040 53.922 54.840 0.203 0.000 0.817 629 L CB 2.451 44.628 42.059 0.197 0.000 1.338 629 L HN 0.778 nan 8.230 nan 0.000 0.414 630 A N 0.775 123.720 122.820 0.209 0.000 2.455 630 A HA 0.808 5.127 4.320 -0.001 0.000 0.300 630 A C -0.856 176.877 177.584 0.250 0.000 1.040 630 A CA -0.435 51.713 52.037 0.186 0.000 0.697 630 A CB 1.852 21.014 19.000 0.271 0.000 1.265 630 A HN 0.549 nan 8.150 nan 0.000 0.407 631 T N 1.844 116.449 114.554 0.086 0.000 2.859 631 T HA 0.677 5.026 4.350 -0.001 0.000 0.281 631 T C -1.165 173.513 174.700 -0.038 0.000 1.005 631 T CA 0.171 62.392 62.100 0.202 0.000 1.025 631 T CB 0.483 69.455 68.868 0.172 0.000 0.977 631 T HN 0.437 nan 8.240 nan 0.000 0.458 632 Y N 0.231 120.687 120.300 0.262 0.000 2.605 632 Y HA 0.655 5.204 4.550 -0.001 0.000 0.343 632 Y C -0.393 175.545 175.900 0.063 0.000 1.036 632 Y CA -1.086 57.084 58.100 0.117 0.000 1.065 632 Y CB 1.774 40.272 38.460 0.064 0.000 1.288 632 Y HN 0.311 nan 8.280 nan 0.000 0.481 633 V N 3.331 123.298 119.914 0.088 0.000 2.540 633 V HA 0.452 4.572 4.120 -0.001 0.000 0.302 633 V C -0.715 175.336 176.094 -0.072 0.000 1.035 633 V CA -0.961 61.312 62.300 -0.045 0.000 0.873 633 V CB 1.748 33.486 31.823 -0.141 0.000 0.992 633 V HN 0.498 nan 8.190 nan 0.000 0.428 634 L N 3.745 124.931 121.223 -0.063 0.000 2.307 634 L HA 0.703 5.042 4.340 -0.001 0.000 0.284 634 L C -0.128 176.735 176.870 -0.011 0.000 1.023 634 L CA -0.153 54.662 54.840 -0.043 0.000 0.810 634 L CB 1.885 43.936 42.059 -0.013 0.000 1.231 634 L HN 0.613 nan 8.230 nan 0.000 0.423 635 T N 3.566 118.125 114.554 0.008 0.000 2.881 635 T HA 0.446 4.796 4.350 -0.001 0.000 0.290 635 T C -0.210 174.526 174.700 0.060 0.000 1.000 635 T CA -0.383 61.732 62.100 0.025 0.000 0.978 635 T CB 2.272 71.146 68.868 0.010 0.000 0.997 635 T HN 0.375 nan 8.240 nan 0.000 0.443 636 I N 3.178 123.791 120.570 0.073 0.000 2.720 636 I HA 0.487 4.656 4.170 -0.001 0.000 0.287 636 I C 0.363 176.538 176.117 0.096 0.000 1.090 636 I CA 0.257 61.620 61.300 0.105 0.000 1.384 636 I CB 0.724 38.788 38.000 0.108 0.000 1.420 636 I HN 0.842 nan 8.210 nan 0.000 0.575 637 S N 3.039 118.815 115.700 0.127 0.000 2.697 637 S HA 0.378 4.847 4.470 -0.001 0.000 0.289 637 S C -0.094 174.528 174.600 0.037 0.000 1.149 637 S CA -0.635 57.605 58.200 0.067 0.000 0.850 637 S CB 1.529 64.755 63.200 0.043 0.000 1.151 637 S HN 0.656 nan 8.310 nan 0.000 0.491 638 D N 0.501 120.860 120.400 -0.067 0.000 2.323 638 D HA 0.133 4.772 4.640 -0.001 0.000 0.209 638 D C 0.954 176.948 176.300 -0.510 0.000 0.973 638 D CA 0.689 54.592 54.000 -0.162 0.000 0.874 638 D CB -0.344 40.386 40.800 -0.116 0.000 0.930 638 D HN 0.599 nan 8.370 nan 0.000 0.521 639 S N -1.235 114.134 115.700 -0.552 0.000 2.720 639 S HA 0.409 4.878 4.470 -0.001 0.000 0.287 639 S C -0.564 173.729 174.600 -0.513 0.000 1.168 639 S CA -1.237 56.465 58.200 -0.829 0.000 0.832 639 S CB 1.630 64.582 63.200 -0.414 0.000 1.166 639 S HN -0.101 nan 8.310 nan 0.000 0.493 640 K N 2.002 122.221 120.400 -0.302 0.000 2.437 640 K HA 0.174 4.493 4.320 -0.001 0.000 0.277 640 K C -2.394 174.275 176.600 0.116 0.000 1.073 640 K CA -0.597 55.769 56.287 0.132 0.000 1.105 640 K CB -0.707 31.885 32.500 0.154 0.000 0.881 640 K HN 0.369 nan 8.250 nan 0.000 0.475 641 P HA -0.015 nan 4.420 nan 0.000 0.272 641 P C 0.545 177.878 177.300 0.055 0.000 1.230 641 P CA -0.333 62.833 63.100 0.110 0.000 0.788 641 P CB 0.683 32.468 31.700 0.141 0.000 0.949 642 E N 0.597 120.781 120.200 -0.026 0.000 2.160 642 E HA -0.236 4.114 4.350 -0.001 0.000 0.195 642 E C 0.480 176.908 176.600 -0.287 0.000 0.991 642 E CA 1.143 57.425 56.400 -0.196 0.000 0.810 642 E CB -0.018 29.471 29.700 -0.353 0.000 0.742 642 E HN 0.476 nan 8.360 nan 0.000 0.466 643 H N -0.864 118.227 119.070 0.036 0.000 2.528 643 H HA 0.235 4.790 4.556 -0.001 0.000 0.282 643 H C -0.482 174.851 175.328 0.008 0.000 1.097 643 H CA 0.122 56.185 56.048 0.025 0.000 1.121 643 H CB 0.875 30.650 29.762 0.023 0.000 1.590 643 H HN -0.063 nan 8.280 nan 0.000 0.553 644 T N 1.450 116.043 114.554 0.065 0.000 2.812 644 T HA 0.324 4.673 4.350 -0.001 0.000 0.282 644 T C 0.268 174.858 174.700 -0.184 0.000 0.990 644 T CA -0.692 61.374 62.100 -0.056 0.000 0.960 644 T CB 2.232 71.062 68.868 -0.064 0.000 0.948 644 T HN 0.270 nan 8.240 nan 0.000 0.438 645 S N 2.326 117.864 115.700 -0.270 0.000 2.718 645 S HA 0.793 5.263 4.470 -0.001 0.000 0.300 645 S C -1.407 172.848 174.600 -0.575 0.000 1.117 645 S CA -0.801 57.263 58.200 -0.227 0.000 1.002 645 S CB 0.920 64.094 63.200 -0.044 0.000 1.092 645 S HN 0.573 nan 8.310 nan 0.000 0.542 646 Y N 0.022 120.343 120.300 0.036 0.000 2.376 646 Y HA 0.650 5.200 4.550 -0.001 0.000 0.340 646 Y C 0.570 176.537 175.900 0.112 0.000 0.965 646 Y CA -0.762 57.351 58.100 0.021 0.000 1.078 646 Y CB 1.737 40.088 38.460 -0.182 0.000 1.193 646 Y HN 1.036 nan 8.280 nan 0.000 0.452 647 A N 2.049 125.065 122.820 0.327 0.000 2.407 647 A HA 0.477 4.797 4.320 -0.001 0.000 0.248 647 A C 0.301 178.084 177.584 0.331 0.000 1.082 647 A CA -0.325 51.885 52.037 0.288 0.000 0.785 647 A CB -0.074 19.091 19.000 0.274 0.000 1.020 647 A HN 0.770 nan 8.150 nan 0.000 0.489 648 S N 2.314 118.144 115.700 0.216 0.000 2.617 648 S HA 0.501 4.970 4.470 -0.001 0.000 0.269 648 S C -0.288 174.408 174.600 0.161 0.000 1.292 648 S CA -0.813 57.499 58.200 0.188 0.000 1.010 648 S CB 0.645 63.913 63.200 0.113 0.000 0.944 648 S HN 0.704 nan 8.310 nan 0.000 0.536 649 N N 0.425 119.200 118.700 0.127 0.000 2.235 649 N HA 0.537 5.276 4.740 -0.001 0.000 0.293 649 N C -1.940 173.503 175.510 -0.111 0.000 1.083 649 N CA -0.560 52.513 53.050 0.039 0.000 0.801 649 N CB 2.056 40.648 38.487 0.175 0.000 1.559 649 N HN 0.605 nan 8.380 nan 0.000 0.472 650 L N 2.112 123.212 121.223 -0.205 0.000 2.439 650 L HA 0.505 4.844 4.340 -0.001 0.000 0.270 650 L C -1.722 174.951 176.870 -0.328 0.000 0.972 650 L CA -0.564 54.119 54.840 -0.261 0.000 0.836 650 L CB 1.682 43.655 42.059 -0.144 0.000 1.255 650 L HN 0.419 nan 8.230 nan 0.000 0.404 651 L N 6.558 127.516 121.223 -0.440 0.000 2.287 651 L HA 0.513 4.852 4.340 -0.001 0.000 0.287 651 L C -1.356 175.450 176.870 -0.107 0.000 1.022 651 L CA -0.451 54.203 54.840 -0.310 0.000 0.814 651 L CB 1.449 43.295 42.059 -0.354 0.000 1.217 651 L HN 0.698 nan 8.230 nan 0.000 0.420 652 L N 7.131 128.326 121.223 -0.046 0.000 2.295 652 L HA 0.575 4.915 4.340 -0.001 0.000 0.281 652 L C -0.274 176.627 176.870 0.052 0.000 1.018 652 L CA -0.508 54.341 54.840 0.016 0.000 0.841 652 L CB 0.995 43.057 42.059 0.005 0.000 1.218 652 L HN 0.655 nan 8.230 nan 0.000 0.424 653 R N 1.971 122.517 120.500 0.076 0.000 2.728 653 R HA 0.419 4.758 4.340 -0.001 0.000 0.259 653 R C -1.598 174.743 176.300 0.068 0.000 1.057 653 R CA -1.093 55.051 56.100 0.073 0.000 0.908 653 R CB 1.349 31.694 30.300 0.075 0.000 1.259 653 R HN 0.174 nan 8.270 nan 0.000 0.472 654 K N 1.612 122.042 120.400 0.051 0.000 2.258 654 K HA 0.060 4.380 4.320 -0.001 0.000 0.264 654 K C -0.053 176.560 176.600 0.021 0.000 1.007 654 K CA -0.279 56.030 56.287 0.036 0.000 0.941 654 K CB 0.277 32.795 32.500 0.030 0.000 0.966 654 K HN 0.830 nan 8.250 nan 0.000 0.480 655 N N 0.731 119.434 118.700 0.004 0.000 2.746 655 N HA -0.104 4.635 4.740 -0.001 0.000 0.250 655 N C -2.607 172.875 175.510 -0.047 0.000 1.055 655 N CA 0.112 53.148 53.050 -0.023 0.000 0.699 655 N CB -0.808 37.670 38.487 -0.016 0.000 0.919 655 N HN 0.399 nan 8.380 nan 0.000 0.548 656 P HA 0.306 nan 4.420 nan 0.000 0.276 656 P C -0.228 176.925 177.300 -0.245 0.000 1.244 656 P CA -0.073 62.969 63.100 -0.097 0.000 0.801 656 P CB 0.931 32.613 31.700 -0.030 0.000 1.006 657 T N -2.731 111.667 114.554 -0.261 0.000 2.930 657 T HA 0.493 4.843 4.350 -0.001 0.000 0.290 657 T C 0.287 174.767 174.700 -0.366 0.000 1.052 657 T CA -0.764 61.161 62.100 -0.290 0.000 1.017 657 T CB 0.678 69.447 68.868 -0.165 0.000 1.137 657 T HN 0.486 nan 8.240 nan 0.000 0.511 658 S N 0.756 116.274 115.700 -0.303 0.000 2.569 658 S HA 0.336 4.805 4.470 -0.001 0.000 0.274 658 S C -0.166 174.514 174.600 0.134 0.000 1.353 658 S CA -0.692 57.438 58.200 -0.116 0.000 1.023 658 S CB -0.333 62.834 63.200 -0.055 0.000 0.876 658 S HN 0.703 nan 8.310 nan 0.000 0.540 659 L N 2.432 123.846 121.223 0.318 0.000 2.481 659 L HA 0.383 4.723 4.340 -0.001 0.000 0.255 659 L C -2.302 174.680 176.870 0.185 0.000 1.192 659 L CA -1.639 53.366 54.840 0.275 0.000 0.924 659 L CB 1.822 44.133 42.059 0.420 0.000 1.179 659 L HN 0.632 nan 8.230 nan 0.000 0.491 660 P HA 0.235 nan 4.420 nan 0.000 0.274 660 P C -0.198 177.102 177.300 -0.000 0.000 1.237 660 P CA -0.256 62.883 63.100 0.065 0.000 0.793 660 P CB 1.646 33.371 31.700 0.042 0.000 0.977 661 L N 0.613 121.845 121.223 0.015 0.000 3.313 661 L HA 0.310 4.649 4.340 -0.001 0.000 0.320 661 L C 1.325 178.265 176.870 0.118 0.000 1.304 661 L CA -0.163 54.658 54.840 -0.032 0.000 0.920 661 L CB 0.122 42.133 42.059 -0.080 0.000 1.357 661 L HN 0.736 nan 8.230 nan 0.000 0.602 662 G N 0.990 109.841 108.800 0.085 0.000 2.591 662 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.298 662 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.298 662 G C 0.537 175.522 174.900 0.141 0.000 1.195 662 G CA 0.665 45.843 45.100 0.131 0.000 0.989 662 G HN 0.454 nan 8.290 nan 0.000 0.551 663 Q N -0.368 119.522 119.800 0.150 0.000 2.444 663 Q HA 0.184 4.523 4.340 -0.001 0.000 0.206 663 Q C 0.686 176.555 176.000 -0.219 0.000 0.948 663 Q CA 0.078 55.850 55.803 -0.051 0.000 0.946 663 Q CB 0.286 28.921 28.738 -0.170 0.000 1.027 663 Q HN 0.490 nan 8.270 nan 0.000 0.513 664 Y N 3.606 123.765 120.300 -0.235 0.000 2.721 664 Y HA -0.042 4.508 4.550 -0.001 0.000 0.329 664 Y C -1.372 174.402 175.900 -0.210 0.000 1.211 664 Y CA -1.643 56.285 58.100 -0.286 0.000 1.512 664 Y CB 0.813 39.251 38.460 -0.038 0.000 1.249 664 Y HN 0.047 nan 8.280 nan 0.000 0.549 665 P HA -0.092 nan 4.420 nan 0.000 0.226 665 P C -0.604 176.538 177.300 -0.263 0.000 1.153 665 P CA 1.171 63.992 63.100 -0.464 0.000 0.777 665 P CB 0.489 31.805 31.700 -0.639 0.000 0.794 666 E N 1.009 121.070 120.200 -0.231 0.000 2.171 666 E HA 0.217 4.566 4.350 -0.001 0.000 0.271 666 E C -0.421 176.297 176.600 0.196 0.000 0.916 666 E CA -0.564 55.851 56.400 0.024 0.000 0.774 666 E CB 1.224 30.991 29.700 0.112 0.000 1.128 666 E HN 0.070 nan 8.360 nan 0.000 0.403 667 D N 1.425 121.911 120.400 0.143 0.000 2.350 667 D HA 0.100 4.740 4.640 -0.001 0.000 0.249 667 D C 0.257 176.656 176.300 0.165 0.000 1.119 667 D CA -0.268 53.832 54.000 0.167 0.000 0.886 667 D CB 1.308 42.193 40.800 0.142 0.000 1.195 667 D HN 0.039 nan 8.370 nan 0.000 0.437 668 V N 2.980 122.993 119.914 0.164 0.000 2.763 668 V HA -0.037 4.082 4.120 -0.001 0.000 0.306 668 V C 0.731 176.745 176.094 -0.134 0.000 1.059 668 V CA 0.180 62.481 62.300 0.001 0.000 1.138 668 V CB 0.523 32.314 31.823 -0.053 0.000 0.940 668 V HN 0.339 nan 8.190 nan 0.000 0.489 669 K N 2.897 123.120 120.400 -0.295 0.000 2.123 669 K HA 0.720 5.039 4.320 -0.001 0.000 0.248 669 K C -0.913 175.297 176.600 -0.649 0.000 0.969 669 K CA -0.507 55.646 56.287 -0.223 0.000 0.882 669 K CB 1.229 33.687 32.500 -0.070 0.000 1.080 669 K HN 0.396 nan 8.250 nan 0.000 0.441 670 F N -1.004 118.956 119.950 0.017 0.000 2.603 670 F HA 0.752 5.278 4.527 -0.001 0.000 0.317 670 F C 0.535 176.338 175.800 0.004 0.000 1.066 670 F CA -0.723 57.279 58.000 0.002 0.000 0.941 670 F CB 2.758 41.758 39.000 -0.000 0.000 1.291 670 F HN 0.510 nan 8.300 nan 0.000 0.472 671 G N 0.412 109.312 108.800 0.167 0.000 2.632 671 G HA2 0.412 4.372 3.960 -0.001 0.000 0.292 671 G HA3 0.412 4.372 3.960 -0.001 0.000 0.292 671 G C -2.155 172.795 174.900 0.084 0.000 1.465 671 G CA -0.841 44.318 45.100 0.097 0.000 0.824 671 G HN 0.371 nan 8.290 nan 0.000 0.509 672 D N 0.935 121.374 120.400 0.065 0.000 2.362 672 D HA 0.364 5.003 4.640 -0.001 0.000 0.242 672 D C -1.967 174.362 176.300 0.048 0.000 1.132 672 D CA -0.644 53.389 54.000 0.054 0.000 0.907 672 D CB 1.010 41.836 40.800 0.044 0.000 1.195 672 D HN 0.007 nan 8.370 nan 0.000 0.429 673 P HA 0.014 nan 4.420 nan 0.000 0.261 673 P C -0.427 176.901 177.300 0.047 0.000 1.173 673 P CA 0.549 63.679 63.100 0.049 0.000 0.760 673 P CB 0.346 32.078 31.700 0.054 0.000 0.783 674 R N 0.822 121.351 120.500 0.049 0.000 2.734 674 R HA 0.480 4.820 4.340 -0.001 0.000 0.271 674 R C -0.987 175.352 176.300 0.064 0.000 1.021 674 R CA -1.073 55.057 56.100 0.049 0.000 0.893 674 R CB 1.242 31.567 30.300 0.041 0.000 1.244 674 R HN 0.212 nan 8.270 nan 0.000 0.464 675 E N 1.177 121.415 120.200 0.064 0.000 2.392 675 E HA 0.224 4.574 4.350 -0.001 0.000 0.264 675 E C -0.185 176.470 176.600 0.091 0.000 1.024 675 E CA -0.086 56.365 56.400 0.085 0.000 0.903 675 E CB 0.830 30.563 29.700 0.056 0.000 0.963 675 E HN 0.414 nan 8.360 nan 0.000 0.432 676 I N -1.220 119.438 120.570 0.146 0.000 2.969 676 I HA 0.570 4.739 4.170 -0.001 0.000 0.307 676 I C -0.658 175.597 176.117 0.230 0.000 1.149 676 I CA -0.729 60.655 61.300 0.140 0.000 1.008 676 I CB 2.314 40.366 38.000 0.087 0.000 1.232 676 I HN 0.319 nan 8.210 nan 0.000 0.435 677 S N 4.222 120.031 115.700 0.182 0.000 2.549 677 S HA 0.904 5.373 4.470 -0.001 0.000 0.280 677 S C -1.383 173.332 174.600 0.192 0.000 1.109 677 S CA -0.586 57.740 58.200 0.210 0.000 0.905 677 S CB 1.346 64.606 63.200 0.101 0.000 1.081 677 S HN 0.803 nan 8.310 nan 0.000 0.477 678 L N 2.301 123.666 121.223 0.237 0.000 2.424 678 L HA 0.704 5.044 4.340 -0.001 0.000 0.258 678 L C -0.431 176.535 176.870 0.160 0.000 0.995 678 L CA -0.749 54.200 54.840 0.180 0.000 0.821 678 L CB 2.532 44.702 42.059 0.185 0.000 1.383 678 L HN 0.799 nan 8.230 nan 0.000 0.410 679 R N 1.487 122.057 120.500 0.117 0.000 2.510 679 R HA 0.614 4.953 4.340 -0.001 0.000 0.294 679 R C -1.916 174.433 176.300 0.082 0.000 1.056 679 R CA -0.475 55.683 56.100 0.098 0.000 0.918 679 R CB 2.165 32.515 30.300 0.083 0.000 1.187 679 R HN 0.404 nan 8.270 nan 0.000 0.437 680 V N 4.592 124.554 119.914 0.079 0.000 2.439 680 V HA 0.518 4.637 4.120 -0.001 0.000 0.282 680 V C 1.216 177.343 176.094 0.055 0.000 1.039 680 V CA 0.668 63.008 62.300 0.066 0.000 0.913 680 V CB 1.027 32.891 31.823 0.067 0.000 0.983 680 V HN 1.103 nan 8.190 nan 0.000 0.460 681 G N 4.981 113.811 108.800 0.051 0.000 2.596 681 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.295 681 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.295 681 G C 0.642 175.565 174.900 0.038 0.000 1.240 681 G CA 0.639 45.765 45.100 0.043 0.000 0.985 681 G HN 0.661 nan 8.290 nan 0.000 0.555 682 N N 2.493 121.212 118.700 0.031 0.000 2.322 682 N HA 0.186 4.926 4.740 -0.001 0.000 0.194 682 N C 1.320 176.844 175.510 0.022 0.000 1.126 682 N CA 1.068 54.133 53.050 0.024 0.000 0.845 682 N CB 0.170 38.667 38.487 0.017 0.000 0.976 682 N HN 0.787 nan 8.380 nan 0.000 0.475 683 G N 1.501 110.318 108.800 0.030 0.000 2.494 683 G HA2 0.258 4.217 3.960 -0.001 0.000 0.270 683 G HA3 0.258 4.217 3.960 -0.001 0.000 0.270 683 G C -2.398 172.518 174.900 0.028 0.000 1.423 683 G CA -0.568 44.549 45.100 0.028 0.000 1.055 683 G HN 0.012 nan 8.290 nan 0.000 0.536 684 P HA 0.244 nan 4.420 nan 0.000 0.274 684 P C -0.502 176.830 177.300 0.053 0.000 1.246 684 P CA -0.075 63.041 63.100 0.027 0.000 0.795 684 P CB 0.742 32.453 31.700 0.018 0.000 1.006 685 T N 1.957 116.545 114.554 0.057 0.000 2.744 685 T HA 0.468 4.817 4.350 -0.001 0.000 0.291 685 T C 0.026 174.783 174.700 0.095 0.000 0.957 685 T CA -0.296 61.863 62.100 0.099 0.000 1.002 685 T CB -0.076 68.870 68.868 0.130 0.000 0.919 685 T HN 0.162 nan 8.240 nan 0.000 0.468 686 L N 2.578 123.862 121.223 0.101 0.000 2.329 686 L HA 0.805 5.144 4.340 -0.001 0.000 0.279 686 L C 0.139 176.983 176.870 -0.043 0.000 1.014 686 L CA -1.202 53.622 54.840 -0.027 0.000 0.814 686 L CB 1.624 43.658 42.059 -0.042 0.000 1.257 686 L HN 0.634 nan 8.230 nan 0.000 0.424 687 A N 2.757 125.438 122.820 -0.232 0.000 2.337 687 A HA 0.870 5.190 4.320 -0.001 0.000 0.329 687 A C -1.271 176.081 177.584 -0.387 0.000 1.146 687 A CA -0.307 51.642 52.037 -0.148 0.000 0.800 687 A CB 0.854 19.794 19.000 -0.101 0.000 1.220 687 A HN 0.495 nan 8.150 nan 0.000 0.472 688 F N 0.909 120.894 119.950 0.059 0.000 2.532 688 F HA 0.520 5.047 4.527 -0.001 0.000 0.321 688 F C 1.072 176.917 175.800 0.074 0.000 1.089 688 F CA -0.263 57.790 58.000 0.088 0.000 0.926 688 F CB 2.267 41.319 39.000 0.087 0.000 1.168 688 F HN 0.683 nan 8.300 nan 0.000 0.459 689 S N 0.433 116.292 115.700 0.264 0.000 2.608 689 S HA 0.097 4.566 4.470 -0.001 0.000 0.261 689 S C 1.052 175.756 174.600 0.174 0.000 1.314 689 S CA -0.059 58.246 58.200 0.176 0.000 0.992 689 S CB 0.755 64.063 63.200 0.181 0.000 0.935 689 S HN 0.859 nan 8.310 nan 0.000 0.564 690 E N -0.110 120.160 120.200 0.117 0.000 2.409 690 E HA -0.180 4.169 4.350 -0.001 0.000 0.198 690 E C 1.216 177.879 176.600 0.105 0.000 1.024 690 E CA 0.860 57.319 56.400 0.098 0.000 0.861 690 E CB -0.384 29.357 29.700 0.069 0.000 0.788 690 E HN 0.771 nan 8.360 nan 0.000 0.521 691 Q N 0.127 120.004 119.800 0.128 0.000 2.320 691 Q HA 0.209 4.549 4.340 -0.001 0.000 0.201 691 Q C 0.806 176.897 176.000 0.151 0.000 0.910 691 Q CA 0.505 56.382 55.803 0.125 0.000 0.946 691 Q CB 0.924 29.736 28.738 0.124 0.000 1.062 691 Q HN 0.476 nan 8.270 nan 0.000 0.503 692 G N 0.345 109.260 108.800 0.192 0.000 2.137 692 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.237 692 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.237 692 G C -0.392 174.732 174.900 0.374 0.000 1.002 692 G CA -0.224 44.999 45.100 0.204 0.000 0.702 692 G HN 0.238 nan 8.290 nan 0.000 0.515 693 L N -0.257 121.221 121.223 0.424 0.000 2.325 693 L HA 0.713 5.053 4.340 -0.001 0.000 0.278 693 L C 0.785 177.927 176.870 0.452 0.000 1.023 693 L CA -1.318 53.808 54.840 0.476 0.000 0.811 693 L CB 1.576 43.804 42.059 0.281 0.000 1.249 693 L HN 0.144 nan 8.230 nan 0.000 0.431 694 L N 2.764 124.219 121.223 0.387 0.000 2.543 694 L HA -0.046 4.293 4.340 -0.001 0.000 0.285 694 L C 0.826 177.726 176.870 0.049 0.000 1.236 694 L CA 1.184 55.986 54.840 -0.064 0.000 0.871 694 L CB 0.059 42.138 42.059 0.034 0.000 1.121 694 L HN 0.643 nan 8.230 nan 0.000 0.501 695 K N 1.172 121.519 120.400 -0.089 0.000 2.474 695 K HA 0.234 4.553 4.320 -0.001 0.000 0.202 695 K C -0.393 176.149 176.600 -0.097 0.000 1.248 695 K CA 0.591 56.871 56.287 -0.012 0.000 0.946 695 K CB 0.663 33.142 32.500 -0.036 0.000 1.102 695 K HN 0.815 nan 8.250 nan 0.000 0.541 696 S N -0.183 115.426 115.700 -0.151 0.000 2.567 696 S HA 0.541 5.010 4.470 -0.001 0.000 0.270 696 S C -1.347 173.198 174.600 -0.092 0.000 1.152 696 S CA -0.994 57.147 58.200 -0.100 0.000 0.835 696 S CB 1.378 64.558 63.200 -0.034 0.000 1.115 696 S HN 0.049 nan 8.310 nan 0.000 0.459 697 I N 1.416 121.962 120.570 -0.039 0.000 2.499 697 I HA 0.452 4.621 4.170 -0.001 0.000 0.288 697 I C -0.692 175.421 176.117 -0.005 0.000 1.048 697 I CA -0.387 60.898 61.300 -0.024 0.000 1.062 697 I CB 2.170 40.137 38.000 -0.054 0.000 1.238 697 I HN 0.745 nan 8.210 nan 0.000 0.426 698 Q N 6.092 125.892 119.800 0.001 0.000 2.394 698 Q HA 0.420 4.760 4.340 -0.001 0.000 0.259 698 Q C 0.104 176.059 176.000 -0.075 0.000 1.021 698 Q CA -0.511 55.225 55.803 -0.112 0.000 0.805 698 Q CB 1.619 30.181 28.738 -0.294 0.000 1.226 698 Q HN 0.795 nan 8.270 nan 0.000 0.476 699 L N 1.954 123.132 121.223 -0.076 0.000 2.017 699 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 699 L C 1.226 178.069 176.870 -0.045 0.000 1.073 699 L CA 1.461 56.270 54.840 -0.051 0.000 0.745 699 L CB -0.367 41.662 42.059 -0.051 0.000 0.894 699 L HN 0.657 nan 8.230 nan 0.000 0.432 700 T N -5.932 108.585 114.554 -0.061 0.000 2.906 700 T HA 0.198 4.548 4.350 -0.001 0.000 0.295 700 T C 0.520 175.186 174.700 -0.058 0.000 1.075 700 T CA -0.821 61.251 62.100 -0.046 0.000 1.005 700 T CB 2.139 70.983 68.868 -0.040 0.000 1.136 700 T HN -0.091 nan 8.240 nan 0.000 0.498 701 Q N 0.860 120.640 119.800 -0.034 0.000 2.197 701 Q HA -0.166 4.173 4.340 -0.001 0.000 0.207 701 Q C 1.618 177.592 176.000 -0.043 0.000 0.984 701 Q CA 2.291 58.078 55.803 -0.027 0.000 0.869 701 Q CB -0.156 28.579 28.738 -0.005 0.000 0.906 701 Q HN 0.940 nan 8.270 nan 0.000 0.426 702 D N -0.883 119.490 120.400 -0.045 0.000 2.339 702 D HA -0.031 4.608 4.640 -0.001 0.000 0.217 702 D C 0.451 176.711 176.300 -0.066 0.000 1.050 702 D CA 0.104 54.078 54.000 -0.043 0.000 0.856 702 D CB 0.266 41.049 40.800 -0.029 0.000 0.922 702 D HN 0.020 nan 8.370 nan 0.000 0.518 703 S N 0.406 116.048 115.700 -0.097 0.000 2.713 703 S HA 0.580 5.049 4.470 -0.001 0.000 0.283 703 S C -2.713 171.786 174.600 -0.168 0.000 1.161 703 S CA -1.204 56.932 58.200 -0.105 0.000 0.999 703 S CB 1.471 64.616 63.200 -0.091 0.000 1.039 703 S HN -0.157 nan 8.310 nan 0.000 0.548 704 P HA 0.221 nan 4.420 nan 0.000 0.272 704 P C -0.714 176.458 177.300 -0.213 0.000 1.230 704 P CA -0.245 62.777 63.100 -0.130 0.000 0.788 704 P CB 0.132 31.806 31.700 -0.043 0.000 0.949 705 H N 0.585 119.648 119.070 -0.012 0.000 3.004 705 H HA 0.140 4.695 4.556 -0.001 0.000 0.267 705 H C -0.174 175.133 175.328 -0.034 0.000 1.165 705 H CA -0.150 55.883 56.048 -0.025 0.000 1.450 705 H CB -0.252 29.497 29.762 -0.022 0.000 1.488 705 H HN 0.086 nan 8.280 nan 0.000 0.478 706 V N 7.212 127.137 119.914 0.018 0.000 2.455 706 V HA 0.082 4.202 4.120 -0.001 0.000 0.273 706 V C -1.885 174.173 176.094 -0.061 0.000 1.045 706 V CA -1.621 60.668 62.300 -0.018 0.000 0.976 706 V CB 0.871 32.671 31.823 -0.039 0.000 0.993 706 V HN 0.535 nan 8.190 nan 0.000 0.475 707 P HA 0.182 nan 4.420 nan 0.000 0.266 707 P C -0.825 176.339 177.300 -0.226 0.000 1.215 707 P CA 0.251 63.218 63.100 -0.221 0.000 0.763 707 P CB 0.501 31.910 31.700 -0.485 0.000 0.806 708 V N 3.936 123.743 119.914 -0.178 0.000 2.614 708 V HA 0.204 4.324 4.120 -0.001 0.000 0.281 708 V C -0.789 175.202 176.094 -0.172 0.000 1.031 708 V CA -0.454 61.723 62.300 -0.204 0.000 0.899 708 V CB 1.089 32.780 31.823 -0.220 0.000 1.037 708 V HN 0.551 nan 8.190 nan 0.000 0.456 709 H N 4.251 123.160 119.070 -0.270 0.000 2.466 709 H HA 0.708 5.263 4.556 -0.001 0.000 0.338 709 H C -1.235 173.948 175.328 -0.242 0.000 1.091 709 H CA -0.881 55.052 56.048 -0.191 0.000 1.207 709 H CB 1.220 30.910 29.762 -0.122 0.000 1.466 709 H HN 0.386 nan 8.280 nan 0.000 0.493 710 F N 3.764 123.397 119.950 -0.529 0.000 2.384 710 F HA 0.352 4.879 4.527 -0.001 0.000 0.338 710 F C 0.387 175.663 175.800 -0.872 0.000 1.103 710 F CA -0.056 57.598 58.000 -0.577 0.000 1.157 710 F CB 0.926 39.705 39.000 -0.368 0.000 1.167 710 F HN 0.477 nan 8.300 nan 0.000 0.529 711 K N 3.497 123.651 120.400 -0.411 0.000 2.525 711 K HA 0.482 4.801 4.320 -0.001 0.000 0.254 711 K C -2.002 174.360 176.600 -0.396 0.000 0.934 711 K CA -0.550 55.551 56.287 -0.311 0.000 0.802 711 K CB 1.208 33.608 32.500 -0.167 0.000 1.295 711 K HN 0.383 nan 8.250 nan 0.000 0.433 712 F N 4.013 123.888 119.950 -0.125 0.000 2.420 712 F HA 0.487 5.013 4.527 -0.001 0.000 0.342 712 F C -0.319 175.436 175.800 -0.074 0.000 1.113 712 F CA -0.536 57.403 58.000 -0.102 0.000 1.059 712 F CB 1.142 40.067 39.000 -0.125 0.000 1.128 712 F HN 0.264 nan 8.300 nan 0.000 0.475 713 L N 2.749 124.009 121.223 0.060 0.000 2.303 713 L HA 0.613 4.953 4.340 -0.001 0.000 0.256 713 L C -1.081 175.769 176.870 -0.033 0.000 1.034 713 L CA -1.013 53.812 54.840 -0.025 0.000 0.832 713 L CB 2.305 44.289 42.059 -0.125 0.000 1.403 713 L HN 0.486 nan 8.230 nan 0.000 0.419 714 K N -0.210 120.135 120.400 -0.090 0.000 2.378 714 K HA 0.655 4.974 4.320 -0.001 0.000 0.252 714 K C -1.683 174.826 176.600 -0.151 0.000 0.931 714 K CA -0.808 55.452 56.287 -0.045 0.000 0.794 714 K CB 1.589 34.103 32.500 0.023 0.000 1.181 714 K HN 0.240 nan 8.250 nan 0.000 0.425 715 Y N 0.667 121.026 120.300 0.098 0.000 2.335 715 Y HA 0.470 5.019 4.550 -0.001 0.000 0.323 715 Y C 1.138 177.096 175.900 0.096 0.000 1.224 715 Y CA 0.056 58.227 58.100 0.118 0.000 1.241 715 Y CB 1.737 40.333 38.460 0.226 0.000 1.235 715 Y HN 0.896 nan 8.280 nan 0.000 0.492 716 G N 0.338 109.293 108.800 0.259 0.000 2.938 716 G HA2 0.627 4.587 3.960 -0.001 0.000 0.258 716 G HA3 0.627 4.587 3.960 -0.001 0.000 0.258 716 G C -1.420 173.564 174.900 0.141 0.000 1.356 716 G CA -0.746 44.446 45.100 0.153 0.000 1.052 716 G HN 0.445 nan 8.290 nan 0.000 0.550 717 V N -0.259 119.706 119.914 0.086 0.000 2.864 717 V HA 0.460 4.580 4.120 -0.001 0.000 0.314 717 V C -0.044 176.069 176.094 0.032 0.000 1.073 717 V CA -0.898 61.438 62.300 0.062 0.000 0.956 717 V CB 1.968 33.828 31.823 0.060 0.000 1.023 717 V HN 0.687 nan 8.190 nan 0.000 0.435 718 R N 1.380 121.891 120.500 0.019 0.000 2.489 718 R HA 0.170 4.509 4.340 -0.001 0.000 0.287 718 R C 1.354 177.662 176.300 0.013 0.000 1.053 718 R CA 0.420 56.526 56.100 0.010 0.000 1.036 718 R CB 0.603 30.911 30.300 0.013 0.000 0.966 718 R HN 0.939 nan 8.270 nan 0.000 0.432 719 S N 1.594 117.277 115.700 -0.028 0.000 2.371 719 S HA -0.071 4.398 4.470 -0.001 0.000 0.224 719 S C 0.573 175.227 174.600 0.091 0.000 1.029 719 S CA 0.730 58.899 58.200 -0.052 0.000 0.978 719 S CB -0.062 63.001 63.200 -0.229 0.000 0.833 719 S HN 0.542 nan 8.310 nan 0.000 0.466 720 H N 1.402 120.475 119.070 0.005 0.000 2.457 720 H HA 0.652 5.208 4.556 -0.001 0.000 0.335 720 H C 1.141 176.469 175.328 -0.000 0.000 1.115 720 H CA -0.096 55.953 56.048 0.002 0.000 1.219 720 H CB 0.818 30.582 29.762 0.002 0.000 1.471 720 H HN 0.495 nan 8.280 nan 0.000 0.491 721 G N 3.259 112.121 108.800 0.102 0.000 2.525 721 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.248 721 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.248 721 G C -0.687 174.235 174.900 0.037 0.000 1.238 721 G CA -0.281 44.847 45.100 0.046 0.000 0.926 721 G HN 0.604 nan 8.290 nan 0.000 0.574 722 D N 1.356 121.768 120.400 0.022 0.000 2.351 722 D HA 0.586 5.225 4.640 -0.001 0.000 0.251 722 D C 0.833 177.139 176.300 0.010 0.000 1.137 722 D CA 0.101 54.106 54.000 0.008 0.000 0.879 722 D CB 1.034 41.833 40.800 -0.002 0.000 1.181 722 D HN 0.384 nan 8.370 nan 0.000 0.448 723 R N 0.727 121.233 120.500 0.010 0.000 2.407 723 R HA 0.338 4.678 4.340 -0.001 0.000 0.303 723 R C -0.131 176.177 176.300 0.013 0.000 0.981 723 R CA -0.569 55.541 56.100 0.017 0.000 0.905 723 R CB 0.886 31.200 30.300 0.024 0.000 1.099 723 R HN 0.232 nan 8.270 nan 0.000 0.459 724 S N 0.534 116.251 115.700 0.028 0.000 2.558 724 S HA 0.430 4.900 4.470 -0.001 0.000 0.287 724 S C 0.565 175.188 174.600 0.039 0.000 1.321 724 S CA 0.482 58.711 58.200 0.048 0.000 1.048 724 S CB 0.748 64.010 63.200 0.103 0.000 0.844 724 S HN 0.752 nan 8.310 nan 0.000 0.512 725 G N -0.014 108.804 108.800 0.031 0.000 2.871 725 G HA2 0.584 4.544 3.960 -0.001 0.000 0.282 725 G HA3 0.584 4.544 3.960 -0.001 0.000 0.282 725 G C 0.545 175.447 174.900 0.003 0.000 1.212 725 G CA -0.112 45.005 45.100 0.028 0.000 0.812 725 G HN 0.713 nan 8.290 nan 0.000 0.547 726 A N -1.237 121.558 122.820 -0.042 0.000 1.972 726 A HA 0.125 4.444 4.320 -0.001 0.000 0.219 726 A C 1.913 179.379 177.584 -0.197 0.000 1.169 726 A CA 1.918 53.876 52.037 -0.132 0.000 0.635 726 A CB -0.586 18.274 19.000 -0.234 0.000 0.810 726 A HN 0.568 nan 8.150 nan 0.000 0.446 727 Y N -0.727 119.501 120.300 -0.121 0.000 2.314 727 Y HA 0.334 4.884 4.550 -0.001 0.000 0.294 727 Y C 0.914 176.710 175.900 -0.173 0.000 1.139 727 Y CA 0.017 57.967 58.100 -0.251 0.000 1.162 727 Y CB -0.158 37.762 38.460 -0.900 0.000 1.121 727 Y HN 0.009 nan 8.280 nan 0.000 0.529 728 L N 0.774 121.955 121.223 -0.070 0.000 2.350 728 L HA 0.160 4.499 4.340 -0.001 0.000 0.275 728 L C -1.077 175.850 176.870 0.095 0.000 1.099 728 L CA -0.448 54.362 54.840 -0.050 0.000 0.808 728 L CB 0.766 42.750 42.059 -0.126 0.000 1.149 728 L HN 0.066 nan 8.230 nan 0.000 0.442 729 F N 5.037 124.937 119.950 -0.084 0.000 2.347 729 F HA 0.469 4.996 4.527 -0.001 0.000 0.366 729 F C -0.841 174.886 175.800 -0.121 0.000 1.107 729 F CA -1.218 56.691 58.000 -0.151 0.000 1.058 729 F CB 0.617 39.460 39.000 -0.262 0.000 1.236 729 F HN 0.203 nan 8.300 nan 0.000 0.456 730 L N 9.034 130.164 121.223 -0.155 0.000 2.556 730 L HA 0.357 4.696 4.340 -0.001 0.000 0.243 730 L C -2.376 174.336 176.870 -0.264 0.000 1.331 730 L CA -1.731 52.967 54.840 -0.236 0.000 0.927 730 L CB 1.016 43.030 42.059 -0.074 0.000 1.219 730 L HN 0.374 nan 8.230 nan 0.000 0.490 731 P HA 0.070 nan 4.420 nan 0.000 0.274 731 P C -0.502 176.737 177.300 -0.102 0.000 1.231 731 P CA -0.380 62.567 63.100 -0.255 0.000 0.790 731 P CB 0.623 32.072 31.700 -0.418 0.000 0.951 732 N N 1.390 120.098 118.700 0.012 0.000 3.303 732 N HA 0.267 5.007 4.740 -0.001 0.000 0.304 732 N C 0.595 176.130 175.510 0.042 0.000 1.302 732 N CA -0.142 52.918 53.050 0.017 0.000 1.213 732 N CB -0.930 37.571 38.487 0.024 0.000 1.481 732 N HN 0.729 nan 8.380 nan 0.000 0.546 733 G N 0.977 109.799 108.800 0.036 0.000 2.661 733 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.685 733 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.685 733 G C -3.084 171.899 174.900 0.140 0.000 1.298 733 G CA -0.972 44.162 45.100 0.055 0.000 0.855 733 G HN 0.384 nan 8.290 nan 0.000 0.560 734 P HA 0.473 nan 4.420 nan 0.000 0.271 734 P C 0.467 177.754 177.300 -0.022 0.000 1.233 734 P CA 0.605 63.791 63.100 0.143 0.000 0.789 734 P CB 0.330 32.072 31.700 0.071 0.000 0.951 735 A N 1.841 124.464 122.820 -0.328 0.000 2.445 735 A HA 0.383 4.703 4.320 -0.001 0.000 0.242 735 A C 0.328 177.760 177.584 -0.253 0.000 1.075 735 A CA 0.135 51.795 52.037 -0.628 0.000 0.777 735 A CB -0.357 17.982 19.000 -1.102 0.000 1.013 735 A HN 0.491 nan 8.150 nan 0.000 0.493 736 S N 2.331 117.922 115.700 -0.181 0.000 2.549 736 S HA 0.618 5.087 4.470 -0.001 0.000 0.297 736 S C -2.674 171.886 174.600 -0.067 0.000 1.115 736 S CA -1.050 57.099 58.200 -0.085 0.000 1.059 736 S CB 1.230 64.403 63.200 -0.046 0.000 1.046 736 S HN 0.597 nan 8.310 nan 0.000 0.506 737 P HA 0.160 nan 4.420 nan 0.000 0.271 737 P C -0.788 176.518 177.300 0.010 0.000 1.218 737 P CA -0.429 62.669 63.100 -0.003 0.000 0.780 737 P CB 0.307 32.017 31.700 0.016 0.000 0.901 738 V N 3.385 123.319 119.914 0.034 0.000 2.572 738 V HA -0.008 4.112 4.120 -0.001 0.000 0.291 738 V C 0.895 177.005 176.094 0.028 0.000 1.039 738 V CA 0.243 62.562 62.300 0.031 0.000 1.055 738 V CB -0.308 31.540 31.823 0.042 0.000 0.969 738 V HN 0.515 nan 8.190 nan 0.000 0.482 739 E N 4.391 124.601 120.200 0.016 0.000 2.223 739 E HA 0.197 4.546 4.350 -0.001 0.000 0.282 739 E C 0.467 177.076 176.600 0.015 0.000 1.046 739 E CA -0.215 56.196 56.400 0.019 0.000 0.857 739 E CB 0.922 30.632 29.700 0.017 0.000 1.055 739 E HN 0.563 nan 8.360 nan 0.000 0.409 740 L N 2.809 124.046 121.223 0.024 0.000 2.446 740 L HA 0.126 4.466 4.340 -0.001 0.000 0.219 740 L C 1.401 178.286 176.870 0.025 0.000 1.116 740 L CA 0.365 55.215 54.840 0.018 0.000 0.844 740 L CB -0.659 41.420 42.059 0.035 0.000 0.970 740 L HN 0.876 nan 8.230 nan 0.000 0.457 741 G N 0.726 109.544 108.800 0.031 0.000 2.574 741 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.286 741 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.286 741 G C 0.109 175.035 174.900 0.043 0.000 1.212 741 G CA 0.166 45.288 45.100 0.036 0.000 0.979 741 G HN 0.359 nan 8.290 nan 0.000 0.557 742 Q N 1.716 121.545 119.800 0.049 0.000 2.644 742 Q HA 0.449 4.788 4.340 -0.001 0.000 0.245 742 Q C -2.193 173.847 176.000 0.068 0.000 1.064 742 Q CA -1.611 54.225 55.803 0.055 0.000 0.860 742 Q CB 1.303 30.072 28.738 0.051 0.000 1.145 742 Q HN 0.563 nan 8.270 nan 0.000 0.515 743 P HA 0.038 nan 4.420 nan 0.000 0.272 743 P C -0.517 176.851 177.300 0.113 0.000 1.223 743 P CA -0.258 62.892 63.100 0.083 0.000 0.784 743 P CB 0.985 32.716 31.700 0.051 0.000 0.923 744 V N 2.383 122.401 119.914 0.174 0.000 2.488 744 V HA 0.121 4.240 4.120 -0.001 0.000 0.277 744 V C 0.527 176.766 176.094 0.243 0.000 1.046 744 V CA -0.237 62.184 62.300 0.202 0.000 0.986 744 V CB 1.147 33.130 31.823 0.266 0.000 0.989 744 V HN 0.251 nan 8.190 nan 0.000 0.475 745 V N 6.356 126.354 119.914 0.141 0.000 2.448 745 V HA 0.465 4.584 4.120 -0.001 0.000 0.295 745 V C -0.380 175.722 176.094 0.013 0.000 1.025 745 V CA -0.619 61.739 62.300 0.097 0.000 0.859 745 V CB 1.660 33.505 31.823 0.037 0.000 0.988 745 V HN 0.672 nan 8.190 nan 0.000 0.431 746 L N 6.711 127.939 121.223 0.009 0.000 2.313 746 L HA 0.753 5.093 4.340 -0.001 0.000 0.283 746 L C -0.645 176.089 176.870 -0.228 0.000 1.013 746 L CA 0.029 54.741 54.840 -0.213 0.000 0.816 746 L CB 1.728 43.560 42.059 -0.377 0.000 1.236 746 L HN 0.439 nan 8.230 nan 0.000 0.419 747 V N 4.037 123.797 119.914 -0.256 0.000 2.487 747 V HA 0.588 4.707 4.120 -0.001 0.000 0.298 747 V C -0.169 175.825 176.094 -0.167 0.000 1.028 747 V CA -0.407 61.768 62.300 -0.208 0.000 0.860 747 V CB 1.821 33.542 31.823 -0.171 0.000 0.991 747 V HN 0.839 nan 8.190 nan 0.000 0.427 748 T N 5.167 119.655 114.554 -0.110 0.000 2.809 748 T HA 0.435 4.785 4.350 -0.001 0.000 0.284 748 T C -0.499 174.214 174.700 0.020 0.000 0.992 748 T CA -0.583 61.513 62.100 -0.007 0.000 0.957 748 T CB 1.181 70.085 68.868 0.061 0.000 0.942 748 T HN 0.646 nan 8.240 nan 0.000 0.439 749 K N 2.451 122.883 120.400 0.053 0.000 2.394 749 K HA 0.690 5.009 4.320 -0.001 0.000 0.260 749 K C -0.341 176.313 176.600 0.090 0.000 0.967 749 K CA -0.566 55.757 56.287 0.059 0.000 0.855 749 K CB 0.971 33.500 32.500 0.048 0.000 1.101 749 K HN 0.785 nan 8.250 nan 0.000 0.433 750 G N 2.220 111.072 108.800 0.086 0.000 2.642 750 G HA2 0.171 4.130 3.960 -0.001 0.000 0.293 750 G HA3 0.171 4.130 3.960 -0.001 0.000 0.293 750 G C -0.196 174.749 174.900 0.074 0.000 1.341 750 G CA -0.615 44.540 45.100 0.091 0.000 0.916 750 G HN 0.655 nan 8.290 nan 0.000 0.474 751 K N -0.198 120.243 120.400 0.068 0.000 2.097 751 K HA 0.074 4.393 4.320 -0.001 0.000 0.206 751 K C 1.749 178.385 176.600 0.060 0.000 1.049 751 K CA 1.089 57.412 56.287 0.061 0.000 0.933 751 K CB -0.138 32.395 32.500 0.055 0.000 0.717 751 K HN 0.450 nan 8.250 nan 0.000 0.442 752 L N -0.795 120.465 121.223 0.061 0.000 2.357 752 L HA 0.190 4.529 4.340 -0.001 0.000 0.211 752 L C 0.617 177.521 176.870 0.057 0.000 1.075 752 L CA 0.135 55.011 54.840 0.059 0.000 0.830 752 L CB 0.347 42.444 42.059 0.063 0.000 0.996 752 L HN 0.153 nan 8.230 nan 0.000 0.467 753 E N -0.245 119.993 120.200 0.063 0.000 2.321 753 E HA 0.397 4.746 4.350 -0.001 0.000 0.281 753 E C -1.469 175.172 176.600 0.068 0.000 0.910 753 E CA -0.210 56.227 56.400 0.061 0.000 0.770 753 E CB 2.127 31.862 29.700 0.059 0.000 1.225 753 E HN -0.116 nan 8.360 nan 0.000 0.417 754 S N 1.449 117.185 115.700 0.060 0.000 2.634 754 S HA 0.768 5.237 4.470 -0.001 0.000 0.296 754 S C -1.333 173.282 174.600 0.026 0.000 1.104 754 S CA -0.746 57.483 58.200 0.047 0.000 0.920 754 S CB 1.873 65.102 63.200 0.048 0.000 1.111 754 S HN 0.482 nan 8.310 nan 0.000 0.493 755 S N 0.676 116.362 115.700 -0.022 0.000 2.535 755 S HA 0.613 5.083 4.470 -0.001 0.000 0.272 755 S C -1.947 172.545 174.600 -0.180 0.000 1.149 755 S CA -0.552 57.608 58.200 -0.065 0.000 0.888 755 S CB 1.000 64.191 63.200 -0.015 0.000 1.110 755 S HN 0.454 nan 8.310 nan 0.000 0.463 756 V N 3.491 123.231 119.914 -0.290 0.000 2.448 756 V HA 0.719 4.838 4.120 -0.001 0.000 0.295 756 V C -0.262 175.689 176.094 -0.239 0.000 1.025 756 V CA -0.448 61.613 62.300 -0.398 0.000 0.859 756 V CB 1.555 32.813 31.823 -0.942 0.000 0.988 756 V HN 0.916 nan 8.190 nan 0.000 0.431 757 S N 3.219 118.835 115.700 -0.140 0.000 2.526 757 S HA 0.783 5.253 4.470 -0.001 0.000 0.293 757 S C -0.855 173.688 174.600 -0.093 0.000 1.092 757 S CA -0.620 57.510 58.200 -0.117 0.000 0.980 757 S CB 2.185 65.414 63.200 0.048 0.000 1.048 757 S HN 0.645 nan 8.310 nan 0.000 0.483 758 V N 1.904 121.645 119.914 -0.288 0.000 2.760 758 V HA 0.820 4.939 4.120 -0.001 0.000 0.309 758 V C -0.099 175.645 176.094 -0.583 0.000 1.077 758 V CA -0.403 61.740 62.300 -0.261 0.000 0.910 758 V CB 1.785 33.583 31.823 -0.043 0.000 1.008 758 V HN 0.998 nan 8.190 nan 0.000 0.424 759 G N 6.903 115.402 108.800 -0.500 0.000 2.457 759 G HA2 0.566 4.526 3.960 -0.001 0.000 0.316 759 G HA3 0.566 4.526 3.960 -0.001 0.000 0.316 759 G C -0.721 174.066 174.900 -0.189 0.000 1.030 759 G CA -0.348 44.498 45.100 -0.424 0.000 1.073 759 G HN 0.711 nan 8.290 nan 0.000 0.430 760 L N 3.101 124.160 121.223 -0.272 0.000 2.334 760 L HA 0.437 4.777 4.340 -0.001 0.000 0.270 760 L C -2.102 174.633 176.870 -0.224 0.000 1.018 760 L CA -2.468 52.232 54.840 -0.233 0.000 0.811 760 L CB 2.311 44.148 42.059 -0.369 0.000 1.271 760 L HN 0.232 nan 8.230 nan 0.000 0.443 761 P HA 0.086 nan 4.420 nan 0.000 0.266 761 P C 0.085 177.272 177.300 -0.188 0.000 1.215 761 P CA 0.404 63.407 63.100 -0.161 0.000 0.763 761 P CB 0.999 32.638 31.700 -0.102 0.000 0.806 762 S N -0.154 115.432 115.700 -0.191 0.000 2.691 762 S HA -0.109 4.360 4.470 -0.001 0.000 0.262 762 S C 0.190 174.671 174.600 -0.199 0.000 1.284 762 S CA 1.247 59.349 58.200 -0.164 0.000 1.372 762 S CB -1.470 61.666 63.200 -0.107 0.000 1.693 762 S HN 0.409 nan 8.310 nan 0.000 0.647 763 V N 1.415 121.154 119.914 -0.292 0.000 2.655 763 V HA 0.436 4.556 4.120 -0.001 0.000 0.301 763 V C -0.269 175.579 176.094 -0.410 0.000 1.082 763 V CA -0.799 61.283 62.300 -0.363 0.000 0.899 763 V CB 2.078 33.529 31.823 -0.619 0.000 1.014 763 V HN 0.116 nan 8.190 nan 0.000 0.429 764 V N 4.060 123.742 119.914 -0.387 0.000 2.368 764 V HA 0.326 4.445 4.120 -0.001 0.000 0.266 764 V C -0.125 175.733 176.094 -0.392 0.000 1.045 764 V CA -0.351 61.619 62.300 -0.551 0.000 0.899 764 V CB 0.746 32.118 31.823 -0.752 0.000 1.006 764 V HN 0.937 nan 8.190 nan 0.000 0.470 765 H N 4.492 123.276 119.070 -0.477 0.000 2.488 765 H HA 0.573 5.128 4.556 -0.001 0.000 0.322 765 H C -0.380 174.809 175.328 -0.231 0.000 1.078 765 H CA -0.214 55.656 56.048 -0.297 0.000 1.260 765 H CB 1.164 30.764 29.762 -0.269 0.000 1.425 765 H HN 0.696 nan 8.280 nan 0.000 0.471 766 Q N 4.274 123.755 119.800 -0.533 0.000 2.304 766 Q HA 0.362 4.701 4.340 -0.001 0.000 0.270 766 Q C -1.309 174.468 176.000 -0.371 0.000 1.035 766 Q CA -0.910 54.665 55.803 -0.379 0.000 0.781 766 Q CB 1.483 30.107 28.738 -0.190 0.000 1.261 766 Q HN 0.747 nan 8.270 nan 0.000 0.444 767 T N 5.181 119.599 114.554 -0.225 0.000 2.758 767 T HA 0.519 4.868 4.350 -0.001 0.000 0.285 767 T C -0.182 174.535 174.700 0.029 0.000 0.981 767 T CA -0.317 61.777 62.100 -0.010 0.000 0.965 767 T CB 0.275 69.313 68.868 0.284 0.000 0.927 767 T HN 0.470 nan 8.240 nan 0.000 0.448 768 I N 3.521 124.124 120.570 0.056 0.000 2.404 768 I HA 0.480 4.650 4.170 -0.001 0.000 0.293 768 I C -0.201 175.968 176.117 0.086 0.000 0.992 768 I CA -0.798 60.535 61.300 0.056 0.000 1.149 768 I CB 1.733 39.757 38.000 0.039 0.000 1.315 768 I HN 0.387 nan 8.210 nan 0.000 0.446 769 M N 5.892 125.542 119.600 0.084 0.000 2.134 769 M HA 0.455 4.934 4.480 -0.001 0.000 0.310 769 M C 0.136 176.476 176.300 0.067 0.000 0.966 769 M CA -0.292 55.062 55.300 0.090 0.000 0.922 769 M CB 1.921 34.590 32.600 0.115 0.000 1.537 769 M HN 0.493 nan 8.290 nan 0.000 0.424 770 R N 1.277 121.811 120.500 0.058 0.000 2.565 770 R HA 0.360 4.700 4.340 -0.001 0.000 0.347 770 R C 0.859 177.186 176.300 0.045 0.000 1.010 770 R CA 0.220 56.347 56.100 0.046 0.000 1.126 770 R CB 0.973 31.292 30.300 0.032 0.000 1.331 770 R HN 1.126 nan 8.270 nan 0.000 0.552 771 G N -0.231 108.599 108.800 0.050 0.000 2.201 771 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.212 771 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.212 771 G C 0.314 175.236 174.900 0.037 0.000 0.994 771 G CA -0.329 44.797 45.100 0.044 0.000 0.644 771 G HN 0.538 nan 8.290 nan 0.000 0.508 772 G N -0.030 108.792 108.800 0.037 0.000 3.302 772 G HA2 0.779 4.739 3.960 -0.001 0.000 0.170 772 G HA3 0.779 4.739 3.960 -0.001 0.000 0.170 772 G C 0.560 175.482 174.900 0.037 0.000 1.119 772 G CA 0.504 45.621 45.100 0.029 0.000 0.826 772 G HN 1.569 nan 8.290 nan 0.000 0.646 773 A N 1.611 124.450 122.820 0.032 0.000 2.567 773 A HA 0.496 4.815 4.320 -0.001 0.000 0.240 773 A C -1.791 175.832 177.584 0.066 0.000 1.053 773 A CA -0.383 51.679 52.037 0.042 0.000 0.755 773 A CB -0.537 18.484 19.000 0.035 0.000 0.978 773 A HN 0.351 nan 8.150 nan 0.000 0.507 774 P HA 0.113 nan 4.420 nan 0.000 0.270 774 P C -0.360 177.011 177.300 0.119 0.000 1.223 774 P CA -0.153 63.015 63.100 0.113 0.000 0.785 774 P CB 0.569 32.361 31.700 0.154 0.000 0.923 775 E N 1.310 121.576 120.200 0.109 0.000 2.175 775 E HA 0.364 4.714 4.350 -0.001 0.000 0.278 775 E C -0.802 175.872 176.600 0.123 0.000 0.969 775 E CA -0.683 55.784 56.400 0.112 0.000 0.796 775 E CB 0.568 30.309 29.700 0.069 0.000 1.104 775 E HN 0.199 nan 8.360 nan 0.000 0.395 776 I N 4.124 124.803 120.570 0.182 0.000 2.377 776 I HA 0.402 4.571 4.170 -0.001 0.000 0.293 776 I C 0.048 176.284 176.117 0.198 0.000 0.987 776 I CA -0.619 60.765 61.300 0.141 0.000 1.185 776 I CB 1.258 39.364 38.000 0.176 0.000 1.341 776 I HN 0.548 nan 8.210 nan 0.000 0.455 777 R N 4.570 125.109 120.500 0.065 0.000 2.534 777 R HA 0.497 4.837 4.340 -0.001 0.000 0.301 777 R C -0.907 175.434 176.300 0.069 0.000 0.961 777 R CA -0.847 55.301 56.100 0.081 0.000 0.871 777 R CB 1.900 32.207 30.300 0.013 0.000 1.170 777 R HN 0.457 nan 8.270 nan 0.000 0.446 778 N N 2.534 121.338 118.700 0.174 0.000 2.407 778 N HA 0.214 4.953 4.740 -0.001 0.000 0.277 778 N C -1.311 174.206 175.510 0.011 0.000 0.995 778 N CA -0.704 52.425 53.050 0.131 0.000 0.903 778 N CB 1.845 40.530 38.487 0.330 0.000 1.218 778 N HN 0.326 nan 8.380 nan 0.000 0.487 779 L N 3.557 124.725 121.223 -0.092 0.000 2.261 779 L HA 0.424 4.764 4.340 -0.001 0.000 0.289 779 L C -1.066 175.726 176.870 -0.130 0.000 1.059 779 L CA -0.477 54.291 54.840 -0.121 0.000 0.816 779 L CB 0.645 42.620 42.059 -0.140 0.000 1.191 779 L HN 0.221 nan 8.230 nan 0.000 0.431 780 V N 4.639 124.484 119.914 -0.115 0.000 2.347 780 V HA 0.421 4.541 4.120 -0.001 0.000 0.280 780 V C -0.648 175.403 176.094 -0.073 0.000 1.021 780 V CA -0.502 61.748 62.300 -0.083 0.000 0.847 780 V CB 1.296 33.103 31.823 -0.026 0.000 0.990 780 V HN 0.707 nan 8.190 nan 0.000 0.444 781 D N 3.933 124.289 120.400 -0.074 0.000 2.389 781 D HA 0.279 4.918 4.640 -0.001 0.000 0.256 781 D C 0.482 176.753 176.300 -0.048 0.000 1.239 781 D CA -0.403 53.563 54.000 -0.056 0.000 0.925 781 D CB 1.472 42.233 40.800 -0.066 0.000 1.145 781 D HN 0.463 nan 8.370 nan 0.000 0.542 782 I N 2.446 123.007 120.570 -0.015 0.000 3.176 782 I HA 0.072 4.241 4.170 -0.001 0.000 0.275 782 I C 1.401 177.513 176.117 -0.008 0.000 1.298 782 I CA 1.079 62.377 61.300 -0.003 0.000 1.445 782 I CB -0.235 37.785 38.000 0.033 0.000 1.075 782 I HN 0.630 nan 8.210 nan 0.000 0.482 783 G N 0.986 109.778 108.800 -0.013 0.000 2.622 783 G HA2 -0.443 3.517 3.960 -0.001 0.000 0.307 783 G HA3 -0.443 3.517 3.960 -0.001 0.000 0.307 783 G C 0.579 175.483 174.900 0.007 0.000 1.226 783 G CA 0.528 45.623 45.100 -0.008 0.000 0.997 783 G HN 0.694 nan 8.290 nan 0.000 0.551 784 S N -0.047 115.659 115.700 0.009 0.000 2.561 784 S HA 0.557 5.026 4.470 -0.001 0.000 0.245 784 S C 0.792 175.403 174.600 0.019 0.000 1.001 784 S CA 0.042 58.252 58.200 0.017 0.000 1.002 784 S CB 0.100 63.312 63.200 0.021 0.000 0.805 784 S HN 0.673 nan 8.310 nan 0.000 0.458 785 L N 2.839 124.072 121.223 0.018 0.000 2.376 785 L HA 0.252 4.591 4.340 -0.001 0.000 0.250 785 L C -0.375 176.515 176.870 0.033 0.000 1.335 785 L CA -0.421 54.432 54.840 0.023 0.000 1.214 785 L CB -0.823 41.248 42.059 0.019 0.000 1.395 785 L HN 0.175 nan 8.230 nan 0.000 0.424 786 D N 2.153 122.572 120.400 0.032 0.000 2.478 786 D HA -0.083 4.556 4.640 -0.001 0.000 0.234 786 D C 0.791 177.117 176.300 0.044 0.000 1.154 786 D CA 0.503 54.526 54.000 0.037 0.000 0.874 786 D CB 0.249 41.068 40.800 0.032 0.000 1.198 786 D HN 0.304 nan 8.370 nan 0.000 0.455 787 N N 0.378 119.108 118.700 0.051 0.000 2.725 787 N HA -0.182 4.557 4.740 -0.001 0.000 0.251 787 N C -0.836 174.719 175.510 0.076 0.000 1.031 787 N CA 0.909 53.996 53.050 0.061 0.000 0.720 787 N CB -1.253 37.265 38.487 0.052 0.000 0.930 787 N HN 0.305 nan 8.380 nan 0.000 0.543 788 T N 0.335 114.938 114.554 0.082 0.000 2.893 788 T HA 0.434 4.783 4.350 -0.001 0.000 0.293 788 T C -0.255 174.514 174.700 0.115 0.000 1.027 788 T CA -0.738 61.423 62.100 0.100 0.000 0.988 788 T CB 2.389 71.301 68.868 0.072 0.000 1.043 788 T HN 0.030 nan 8.240 nan 0.000 0.461 789 E N 2.206 122.505 120.200 0.164 0.000 2.191 789 E HA 0.441 4.791 4.350 -0.001 0.000 0.263 789 E C -0.750 175.968 176.600 0.197 0.000 0.881 789 E CA -0.612 55.881 56.400 0.154 0.000 0.757 789 E CB 2.224 31.984 29.700 0.101 0.000 1.147 789 E HN 0.483 nan 8.360 nan 0.000 0.414 790 I N 2.858 123.525 120.570 0.161 0.000 2.342 790 I HA 0.213 4.382 4.170 -0.001 0.000 0.291 790 I C -0.185 176.060 176.117 0.213 0.000 1.010 790 I CA -0.744 60.661 61.300 0.176 0.000 1.308 790 I CB 1.318 39.414 38.000 0.160 0.000 1.400 790 I HN 0.202 nan 8.210 nan 0.000 0.488 791 V N 8.148 128.183 119.914 0.201 0.000 2.628 791 V HA 0.504 4.623 4.120 -0.001 0.000 0.306 791 V C -0.429 175.672 176.094 0.011 0.000 1.045 791 V CA -0.727 61.672 62.300 0.165 0.000 0.905 791 V CB 1.990 33.970 31.823 0.261 0.000 0.997 791 V HN 0.758 nan 8.190 nan 0.000 0.436 792 M N 7.345 126.868 119.600 -0.128 0.000 2.149 792 M HA 0.586 5.065 4.480 -0.001 0.000 0.342 792 M C -0.625 175.499 176.300 -0.292 0.000 1.068 792 M CA -0.448 54.533 55.300 -0.533 0.000 0.991 792 M CB 0.713 32.941 32.600 -0.620 0.000 1.596 792 M HN 0.764 nan 8.290 nan 0.000 0.439 793 R N 4.593 124.910 120.500 -0.305 0.000 2.711 793 R HA 0.729 5.068 4.340 -0.001 0.000 0.284 793 R C -2.002 174.174 176.300 -0.205 0.000 0.968 793 R CA -0.638 55.352 56.100 -0.184 0.000 0.924 793 R CB 1.581 31.800 30.300 -0.135 0.000 1.162 793 R HN 0.832 nan 8.270 nan 0.000 0.465 794 L N 3.038 124.124 121.223 -0.228 0.000 2.322 794 L HA 0.434 4.774 4.340 -0.001 0.000 0.281 794 L C -0.587 176.159 176.870 -0.207 0.000 1.014 794 L CA -0.459 54.177 54.840 -0.339 0.000 0.815 794 L CB 2.019 43.823 42.059 -0.424 0.000 1.247 794 L HN 0.629 nan 8.230 nan 0.000 0.421 795 E N 2.147 122.243 120.200 -0.174 0.000 2.165 795 E HA 0.478 4.828 4.350 -0.001 0.000 0.266 795 E C -0.647 175.882 176.600 -0.118 0.000 0.889 795 E CA -0.481 55.865 56.400 -0.089 0.000 0.756 795 E CB 2.099 31.792 29.700 -0.011 0.000 1.131 795 E HN 0.618 nan 8.360 nan 0.000 0.411 796 T N -1.104 113.392 114.554 -0.097 0.000 2.831 796 T HA 0.338 4.687 4.350 -0.001 0.000 0.287 796 T C 0.109 174.794 174.700 -0.024 0.000 1.070 796 T CA -0.719 61.303 62.100 -0.131 0.000 1.010 796 T CB 1.068 69.883 68.868 -0.089 0.000 1.264 796 T HN 0.574 nan 8.240 nan 0.000 0.532 797 H N -0.622 118.436 119.070 -0.021 0.000 2.487 797 H HA 0.427 4.982 4.556 -0.001 0.000 0.290 797 H C -0.050 175.275 175.328 -0.005 0.000 1.081 797 H CA -0.553 55.489 56.048 -0.011 0.000 1.116 797 H CB 0.026 29.781 29.762 -0.011 0.000 1.560 797 H HN 0.313 nan 8.280 nan 0.000 0.548 798 I N 1.496 122.129 120.570 0.104 0.000 2.496 798 I HA -0.083 4.086 4.170 -0.001 0.000 0.285 798 I C 0.389 176.548 176.117 0.071 0.000 1.080 798 I CA 0.035 61.378 61.300 0.071 0.000 1.404 798 I CB 0.664 38.695 38.000 0.052 0.000 1.403 798 I HN 0.180 nan 8.210 nan 0.000 0.539 799 D N 4.554 124.991 120.400 0.062 0.000 2.631 799 D HA 0.060 4.700 4.640 -0.001 0.000 0.227 799 D C 1.129 177.468 176.300 0.066 0.000 1.146 799 D CA -0.105 53.927 54.000 0.054 0.000 1.009 799 D CB 0.475 41.298 40.800 0.038 0.000 1.057 799 D HN 0.537 nan 8.370 nan 0.000 0.509 800 S N 0.769 116.516 115.700 0.079 0.000 2.501 800 S HA 0.277 4.746 4.470 -0.001 0.000 0.220 800 S C 1.570 176.227 174.600 0.094 0.000 0.997 800 S CA 0.300 58.562 58.200 0.104 0.000 0.919 800 S CB -0.083 63.192 63.200 0.125 0.000 0.778 800 S HN 0.556 nan 8.310 nan 0.000 0.523 801 G N 3.204 112.048 108.800 0.072 0.000 2.557 801 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.292 801 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.292 801 G C 0.145 175.091 174.900 0.076 0.000 1.162 801 G CA 0.544 45.682 45.100 0.063 0.000 0.964 801 G HN 0.730 nan 8.290 nan 0.000 0.541 802 D N 0.257 120.706 120.400 0.082 0.000 2.395 802 D HA 0.347 4.986 4.640 -0.001 0.000 0.213 802 D C 0.797 177.191 176.300 0.156 0.000 1.110 802 D CA -0.192 53.875 54.000 0.111 0.000 0.835 802 D CB 0.335 41.183 40.800 0.081 0.000 0.965 802 D HN 0.457 nan 8.370 nan 0.000 0.505 803 I N 1.384 122.030 120.570 0.126 0.000 2.437 803 I HA 0.499 4.669 4.170 -0.001 0.000 0.298 803 I C -0.147 176.077 176.117 0.178 0.000 0.984 803 I CA -1.071 60.252 61.300 0.038 0.000 1.214 803 I CB 0.597 38.587 38.000 -0.018 0.000 1.365 803 I HN -0.029 nan 8.210 nan 0.000 0.469 804 F N 4.054 123.850 119.950 -0.256 0.000 2.779 804 F HA 0.658 5.185 4.527 -0.001 0.000 0.316 804 F C -2.089 173.420 175.800 -0.485 0.000 1.164 804 F CA -1.424 56.465 58.000 -0.186 0.000 0.924 804 F CB 1.132 40.073 39.000 -0.098 0.000 1.348 804 F HN 0.178 nan 8.300 nan 0.000 0.467 805 Y N 0.133 120.224 120.300 -0.348 0.000 2.425 805 Y HA 0.687 5.236 4.550 -0.001 0.000 0.344 805 Y C 0.058 175.804 175.900 -0.256 0.000 0.969 805 Y CA -0.714 57.034 58.100 -0.587 0.000 1.052 805 Y CB 2.389 40.075 38.460 -1.290 0.000 1.215 805 Y HN 0.894 nan 8.280 nan 0.000 0.451 806 T N -1.385 113.097 114.554 -0.120 0.000 2.901 806 T HA 0.503 4.853 4.350 -0.001 0.000 0.293 806 T C -1.006 173.505 174.700 -0.316 0.000 1.084 806 T CA -1.066 60.980 62.100 -0.090 0.000 1.008 806 T CB 2.053 70.857 68.868 -0.107 0.000 1.170 806 T HN 0.573 nan 8.240 nan 0.000 0.509 807 D N 0.917 120.977 120.400 -0.567 0.000 2.340 807 D HA 0.384 5.023 4.640 -0.001 0.000 0.251 807 D C -0.625 175.414 176.300 -0.435 0.000 1.080 807 D CA -0.808 52.677 54.000 -0.859 0.000 0.971 807 D CB 1.239 41.286 40.800 -1.255 0.000 1.137 807 D HN 0.553 nan 8.370 nan 0.000 0.475 808 L N 0.818 121.834 121.223 -0.345 0.000 2.319 808 L HA 0.222 4.562 4.340 -0.001 0.000 0.281 808 L C -0.116 176.640 176.870 -0.190 0.000 1.005 808 L CA -0.816 53.910 54.840 -0.191 0.000 0.828 808 L CB 0.611 42.623 42.059 -0.078 0.000 1.227 808 L HN 0.449 nan 8.230 nan 0.000 0.415 809 N N 2.126 120.721 118.700 -0.175 0.000 2.693 809 N HA -0.232 4.507 4.740 -0.001 0.000 0.249 809 N C 0.956 176.258 175.510 -0.348 0.000 1.119 809 N CA 0.931 53.874 53.050 -0.178 0.000 0.717 809 N CB -1.063 37.400 38.487 -0.039 0.000 1.071 809 N HN 1.093 nan 8.380 nan 0.000 0.555 810 G N -1.723 106.875 108.800 -0.335 0.000 2.155 810 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.257 810 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.257 810 G C 0.603 175.493 174.900 -0.017 0.000 0.983 810 G CA 0.646 45.570 45.100 -0.294 0.000 0.676 810 G HN 0.485 nan 8.290 nan 0.000 0.528 811 L N -0.393 120.760 121.223 -0.116 0.000 2.467 811 L HA 0.505 4.844 4.340 -0.001 0.000 0.213 811 L C 0.954 177.725 176.870 -0.164 0.000 1.053 811 L CA 1.938 56.626 54.840 -0.253 0.000 0.847 811 L CB 0.171 41.914 42.059 -0.527 0.000 1.075 811 L HN 0.708 nan 8.230 nan 0.000 0.479 812 Q N -1.756 117.955 119.800 -0.150 0.000 2.472 812 Q HA 0.345 4.685 4.340 -0.001 0.000 0.281 812 Q C -1.723 174.200 176.000 -0.129 0.000 0.997 812 Q CA -0.725 55.060 55.803 -0.029 0.000 0.828 812 Q CB 1.084 29.855 28.738 0.054 0.000 1.443 812 Q HN -0.044 nan 8.270 nan 0.000 0.390 813 F N 1.438 121.352 119.950 -0.060 0.000 2.427 813 F HA 0.589 5.116 4.527 -0.001 0.000 0.346 813 F C -0.163 175.599 175.800 -0.064 0.000 1.120 813 F CA -0.841 57.131 58.000 -0.046 0.000 1.033 813 F CB 1.663 40.682 39.000 0.031 0.000 1.126 813 F HN 0.544 nan 8.300 nan 0.000 0.462 814 I N 3.871 124.436 120.570 -0.008 0.000 2.441 814 I HA 0.330 4.500 4.170 -0.001 0.000 0.295 814 I C -0.385 175.558 176.117 -0.290 0.000 0.994 814 I CA -0.912 60.327 61.300 -0.103 0.000 1.144 814 I CB 1.234 39.132 38.000 -0.169 0.000 1.314 814 I HN 0.502 nan 8.210 nan 0.000 0.445 815 K N 6.622 126.790 120.400 -0.386 0.000 2.416 815 K HA 0.190 4.510 4.320 -0.001 0.000 0.283 815 K C -0.813 175.300 176.600 -0.812 0.000 1.037 815 K CA -0.294 55.471 56.287 -0.870 0.000 0.995 815 K CB 0.460 32.599 32.500 -0.601 0.000 0.938 815 K HN 0.480 nan 8.250 nan 0.000 0.475 816 R N 3.342 123.179 120.500 -1.106 0.000 2.604 816 R HA 0.332 4.672 4.340 -0.001 0.000 0.287 816 R C -0.390 175.375 176.300 -0.891 0.000 0.970 816 R CA -0.722 54.646 56.100 -1.219 0.000 0.946 816 R CB 1.405 30.391 30.300 -2.190 0.000 1.127 816 R HN 0.652 nan 8.270 nan 0.000 0.473 817 R N 1.744 121.946 120.500 -0.497 0.000 2.439 817 R HA 0.292 4.631 4.340 -0.001 0.000 0.310 817 R C -0.486 175.847 176.300 0.055 0.000 0.955 817 R CA -0.664 55.332 56.100 -0.174 0.000 0.853 817 R CB 1.434 31.674 30.300 -0.099 0.000 1.171 817 R HN 0.542 nan 8.270 nan 0.000 0.449 818 R N 4.880 125.526 120.500 0.244 0.000 2.489 818 R HA 0.132 4.471 4.340 -0.001 0.000 0.287 818 R C -0.945 175.441 176.300 0.143 0.000 1.053 818 R CA 0.196 56.480 56.100 0.307 0.000 1.036 818 R CB 0.386 30.849 30.300 0.272 0.000 0.966 818 R HN 0.526 nan 8.270 nan 0.000 0.432 819 L N 4.803 126.089 121.223 0.104 0.000 2.343 819 L HA 0.234 4.573 4.340 -0.001 0.000 0.278 819 L C 0.239 177.105 176.870 -0.006 0.000 0.996 819 L CA -0.695 54.163 54.840 0.030 0.000 0.831 819 L CB 2.062 44.111 42.059 -0.017 0.000 1.232 819 L HN 0.655 nan 8.230 nan 0.000 0.413 820 D N 1.643 122.045 120.400 0.004 0.000 2.371 820 D HA -0.113 4.526 4.640 -0.001 0.000 0.221 820 D C 1.636 177.921 176.300 -0.025 0.000 0.986 820 D CA 0.730 54.726 54.000 -0.006 0.000 0.899 820 D CB 0.330 41.136 40.800 0.010 0.000 0.902 820 D HN 0.567 nan 8.370 nan 0.000 0.530 821 K N 0.257 120.634 120.400 -0.039 0.000 2.504 821 K HA 0.008 4.328 4.320 -0.001 0.000 0.195 821 K C 0.677 177.213 176.600 -0.107 0.000 1.036 821 K CA 0.399 56.660 56.287 -0.044 0.000 0.984 821 K CB 0.328 32.820 32.500 -0.013 0.000 0.788 821 K HN 0.095 nan 8.250 nan 0.000 0.488 822 L N 2.445 123.566 121.223 -0.171 0.000 2.334 822 L HA 0.462 4.802 4.340 -0.001 0.000 0.273 822 L C -2.218 174.541 176.870 -0.185 0.000 1.013 822 L CA -2.822 51.871 54.840 -0.245 0.000 0.816 822 L CB 1.512 43.336 42.059 -0.391 0.000 1.278 822 L HN -0.031 nan 8.230 nan 0.000 0.431 823 P HA 0.035 nan 4.420 nan 0.000 0.274 823 P C 0.843 178.019 177.300 -0.207 0.000 1.260 823 P CA -0.444 62.557 63.100 -0.164 0.000 0.793 823 P CB 1.305 32.928 31.700 -0.130 0.000 1.048 824 L N 0.548 121.675 121.223 -0.160 0.000 2.013 824 L HA -0.252 4.087 4.340 -0.001 0.000 0.212 824 L C 2.519 179.298 176.870 -0.151 0.000 1.073 824 L CA 1.821 56.593 54.840 -0.114 0.000 0.753 824 L CB -0.698 41.296 42.059 -0.108 0.000 0.890 824 L HN 0.402 nan 8.230 nan 0.000 0.432 825 Q N -0.139 119.453 119.800 -0.346 0.000 2.291 825 Q HA -0.179 4.161 4.340 -0.001 0.000 0.206 825 Q C 1.839 177.744 176.000 -0.157 0.000 0.976 825 Q CA 1.550 57.169 55.803 -0.307 0.000 0.875 825 Q CB -0.525 27.940 28.738 -0.455 0.000 0.927 825 Q HN 0.606 nan 8.270 nan 0.000 0.450 826 A N 1.455 123.972 122.820 -0.505 0.000 2.067 826 A HA -0.033 4.287 4.320 -0.001 0.000 0.217 826 A C 1.634 179.036 177.584 -0.303 0.000 1.156 826 A CA 0.707 52.312 52.037 -0.720 0.000 0.683 826 A CB -0.176 17.914 19.000 -1.517 0.000 0.808 826 A HN 0.346 nan 8.150 nan 0.000 0.455 827 N N -1.026 117.609 118.700 -0.108 0.000 2.383 827 N HA 0.051 4.791 4.740 -0.001 0.000 0.192 827 N C -0.889 174.703 175.510 0.136 0.000 1.141 827 N CA 0.212 53.312 53.050 0.083 0.000 0.851 827 N CB 0.038 38.619 38.487 0.156 0.000 0.976 827 N HN 0.455 nan 8.380 nan 0.000 0.465 828 Y N 0.208 120.447 120.300 -0.102 0.000 2.304 828 Y HA 0.204 4.753 4.550 -0.001 0.000 0.328 828 Y C -0.083 175.738 175.900 -0.132 0.000 1.123 828 Y CA -0.180 57.950 58.100 0.050 0.000 1.218 828 Y CB 0.401 38.976 38.460 0.192 0.000 1.207 828 Y HN -0.062 nan 8.280 nan 0.000 0.495 829 Y N 3.157 123.598 120.300 0.234 0.000 2.633 829 Y HA 0.470 5.019 4.550 -0.001 0.000 0.339 829 Y C -2.251 173.358 175.900 -0.484 0.000 1.045 829 Y CA -2.905 55.206 58.100 0.018 0.000 1.098 829 Y CB 1.236 39.691 38.460 -0.008 0.000 1.296 829 Y HN 0.442 nan 8.280 nan 0.000 0.494 830 P HA 0.105 nan 4.420 nan 0.000 0.268 830 P C -0.652 176.403 177.300 -0.408 0.000 1.204 830 P CA 0.308 62.808 63.100 -1.001 0.000 0.768 830 P CB 0.417 31.452 31.700 -1.109 0.000 0.842 831 I N 5.265 125.676 120.570 -0.264 0.000 2.578 831 I HA 0.166 4.336 4.170 -0.001 0.000 0.284 831 I C -1.624 174.420 176.117 -0.122 0.000 1.156 831 I CA -2.430 58.788 61.300 -0.136 0.000 1.165 831 I CB 0.522 38.504 38.000 -0.030 0.000 1.567 831 I HN 0.208 nan 8.210 nan 0.000 0.546 832 P HA -0.082 nan 4.420 nan 0.000 0.220 832 P C 1.037 178.307 177.300 -0.049 0.000 1.148 832 P CA 1.262 64.290 63.100 -0.120 0.000 0.803 832 P CB 0.546 32.148 31.700 -0.163 0.000 0.782 833 S N -3.570 112.103 115.700 -0.044 0.000 2.551 833 S HA 0.447 4.916 4.470 -0.001 0.000 0.276 833 S C 0.536 175.224 174.600 0.146 0.000 1.051 833 S CA 0.279 58.513 58.200 0.057 0.000 1.377 833 S CB 0.322 63.583 63.200 0.102 0.000 1.208 833 S HN 0.326 nan 8.310 nan 0.000 0.656 834 G N 1.636 110.515 108.800 0.132 0.000 2.489 834 G HA2 0.561 4.521 3.960 -0.001 0.000 0.291 834 G HA3 0.561 4.521 3.960 -0.001 0.000 0.291 834 G C -1.432 173.706 174.900 0.397 0.000 1.487 834 G CA -0.488 44.825 45.100 0.355 0.000 0.795 834 G HN 0.840 nan 8.290 nan 0.000 0.513 835 M N -0.349 119.516 119.600 0.442 0.000 2.520 835 M HA 0.907 5.387 4.480 -0.001 0.000 0.283 835 M C -1.642 174.905 176.300 0.413 0.000 1.237 835 M CA -1.017 54.505 55.300 0.369 0.000 0.885 835 M CB 2.568 35.290 32.600 0.204 0.000 1.727 835 M HN 1.092 nan 8.290 nan 0.000 0.468 836 F N 1.008 121.116 119.950 0.262 0.000 2.686 836 F HA 0.923 5.449 4.527 -0.001 0.000 0.311 836 F C -1.802 174.128 175.800 0.216 0.000 1.128 836 F CA -1.235 56.849 58.000 0.139 0.000 0.946 836 F CB 1.224 40.214 39.000 -0.016 0.000 1.336 836 F HN 0.783 nan 8.300 nan 0.000 0.457 837 I N -0.317 120.499 120.570 0.410 0.000 2.769 837 I HA 0.850 5.020 4.170 -0.001 0.000 0.298 837 I C -1.506 174.792 176.117 0.302 0.000 1.128 837 I CA -0.850 60.644 61.300 0.325 0.000 1.031 837 I CB 2.442 40.551 38.000 0.182 0.000 1.235 837 I HN 0.957 nan 8.210 nan 0.000 0.423 838 E N 2.420 122.783 120.200 0.271 0.000 2.430 838 E HA 0.591 4.941 4.350 -0.001 0.000 0.279 838 E C -2.019 174.662 176.600 0.135 0.000 1.003 838 E CA -0.813 55.688 56.400 0.168 0.000 0.801 838 E CB 2.370 32.153 29.700 0.138 0.000 1.313 838 E HN 0.733 nan 8.360 nan 0.000 0.459 839 D N 0.384 120.833 120.400 0.081 0.000 2.808 839 D HA 0.443 5.083 4.640 -0.001 0.000 0.249 839 D C 0.919 177.246 176.300 0.045 0.000 1.151 839 D CA -0.140 53.901 54.000 0.069 0.000 1.089 839 D CB -0.037 40.797 40.800 0.057 0.000 1.295 839 D HN 0.446 nan 8.370 nan 0.000 0.631 840 A N -0.678 122.162 122.820 0.034 0.000 1.978 840 A HA -0.174 4.146 4.320 -0.001 0.000 0.220 840 A C 1.526 179.113 177.584 0.004 0.000 1.170 840 A CA 1.692 53.741 52.037 0.020 0.000 0.636 840 A CB -0.735 18.275 19.000 0.017 0.000 0.810 840 A HN 0.524 nan 8.150 nan 0.000 0.448 841 N N -1.888 116.814 118.700 0.003 0.000 2.397 841 N HA 0.071 4.811 4.740 -0.001 0.000 0.190 841 N C -0.416 175.083 175.510 -0.019 0.000 1.099 841 N CA 0.751 53.795 53.050 -0.010 0.000 0.876 841 N CB 0.624 39.108 38.487 -0.006 0.000 1.143 841 N HN 0.312 nan 8.380 nan 0.000 0.468 842 T N 0.653 115.202 114.554 -0.009 0.000 2.893 842 T HA 0.441 4.790 4.350 -0.001 0.000 0.293 842 T C -0.527 174.164 174.700 -0.016 0.000 1.027 842 T CA -0.644 61.445 62.100 -0.019 0.000 0.988 842 T CB 2.840 71.704 68.868 -0.007 0.000 1.043 842 T HN -0.047 nan 8.240 nan 0.000 0.461 843 R N 1.872 122.343 120.500 -0.047 0.000 2.740 843 R HA 0.750 5.089 4.340 -0.001 0.000 0.282 843 R C -1.865 174.408 176.300 -0.045 0.000 0.969 843 R CA -0.911 55.160 56.100 -0.049 0.000 0.918 843 R CB 1.255 31.454 30.300 -0.169 0.000 1.175 843 R HN 0.461 nan 8.270 nan 0.000 0.464 844 L N 2.349 123.575 121.223 0.005 0.000 2.356 844 L HA 0.504 4.844 4.340 -0.001 0.000 0.277 844 L C -1.348 175.558 176.870 0.060 0.000 0.996 844 L CA 0.075 54.913 54.840 -0.004 0.000 0.822 844 L CB 2.356 44.400 42.059 -0.025 0.000 1.256 844 L HN 0.635 nan 8.230 nan 0.000 0.413 845 T N 5.641 120.213 114.554 0.029 0.000 2.824 845 T HA 0.579 4.928 4.350 -0.001 0.000 0.282 845 T C -1.147 173.620 174.700 0.111 0.000 0.993 845 T CA -0.275 61.886 62.100 0.102 0.000 0.967 845 T CB 1.429 70.287 68.868 -0.016 0.000 0.960 845 T HN 0.473 nan 8.240 nan 0.000 0.441 846 L N 4.925 126.250 121.223 0.170 0.000 2.319 846 L HA 0.589 4.928 4.340 -0.001 0.000 0.281 846 L C -1.444 175.577 176.870 0.252 0.000 1.005 846 L CA -0.703 54.246 54.840 0.183 0.000 0.828 846 L CB 0.665 42.806 42.059 0.136 0.000 1.227 846 L HN 0.402 nan 8.230 nan 0.000 0.415 847 L N 3.818 125.196 121.223 0.257 0.000 2.331 847 L HA 0.683 5.023 4.340 -0.001 0.000 0.275 847 L C 0.397 177.418 176.870 0.251 0.000 1.022 847 L CA -0.294 54.695 54.840 0.249 0.000 0.812 847 L CB 1.634 43.808 42.059 0.191 0.000 1.257 847 L HN 0.773 nan 8.230 nan 0.000 0.435 848 T N -2.416 112.240 114.554 0.169 0.000 2.908 848 T HA 0.599 4.949 4.350 -0.001 0.000 0.290 848 T C 0.716 175.387 174.700 -0.048 0.000 1.034 848 T CA -0.287 61.833 62.100 0.033 0.000 1.010 848 T CB 1.905 70.802 68.868 0.049 0.000 1.068 848 T HN 0.670 nan 8.240 nan 0.000 0.481 849 G N 1.144 109.842 108.800 -0.170 0.000 3.141 849 G HA2 0.393 4.352 3.960 -0.001 0.000 0.218 849 G HA3 0.393 4.352 3.960 -0.001 0.000 0.218 849 G C 0.238 175.083 174.900 -0.092 0.000 1.170 849 G CA -0.224 44.809 45.100 -0.112 0.000 0.769 849 G HN 0.973 nan 8.290 nan 0.000 0.546 850 Q N -0.228 119.514 119.800 -0.096 0.000 2.479 850 Q HA 0.295 4.634 4.340 -0.001 0.000 0.276 850 Q C -3.540 172.430 176.000 -0.050 0.000 0.989 850 Q CA -2.262 53.507 55.803 -0.056 0.000 0.864 850 Q CB 1.887 30.607 28.738 -0.029 0.000 1.444 850 Q HN -0.008 nan 8.270 nan 0.000 0.388 851 P HA 0.449 nan 4.420 nan 0.000 0.281 851 P C -0.706 176.583 177.300 -0.018 0.000 1.252 851 P CA -0.160 62.926 63.100 -0.024 0.000 0.778 851 P CB 1.009 32.700 31.700 -0.015 0.000 0.895 852 L N 1.726 122.933 121.223 -0.027 0.000 2.403 852 L HA 0.680 5.019 4.340 -0.001 0.000 0.253 852 L C 0.835 177.723 176.870 0.030 0.000 1.045 852 L CA -1.147 53.698 54.840 0.009 0.000 0.845 852 L CB 2.054 44.102 42.059 -0.018 0.000 1.447 852 L HN 0.339 nan 8.230 nan 0.000 0.411 853 G N -0.962 107.916 108.800 0.131 0.000 2.448 853 G HA2 0.654 4.613 3.960 -0.001 0.000 0.285 853 G HA3 0.654 4.613 3.960 -0.001 0.000 0.285 853 G C -0.474 174.463 174.900 0.062 0.000 1.176 853 G CA 0.143 45.395 45.100 0.253 0.000 0.852 853 G HN 0.871 nan 8.290 nan 0.000 0.530 854 G N -1.415 107.212 108.800 -0.289 0.000 2.550 854 G HA2 0.668 4.627 3.960 -0.001 0.000 0.293 854 G HA3 0.668 4.627 3.960 -0.001 0.000 0.293 854 G C -1.127 173.284 174.900 -0.816 0.000 1.402 854 G CA 0.496 45.225 45.100 -0.618 0.000 0.784 854 G HN 1.274 nan 8.290 nan 0.000 0.482 855 S N -1.877 113.418 115.700 -0.675 0.000 2.724 855 S HA 0.755 5.224 4.470 -0.001 0.000 0.278 855 S C -1.566 172.539 174.600 -0.826 0.000 1.190 855 S CA 0.364 58.158 58.200 -0.676 0.000 0.860 855 S CB 1.254 64.133 63.200 -0.534 0.000 1.206 855 S HN 1.598 nan 8.310 nan 0.000 0.507 856 S N 1.465 116.417 115.700 -1.247 0.000 2.746 856 S HA 0.488 4.957 4.470 -0.001 0.000 0.273 856 S C 0.099 174.446 174.600 -0.422 0.000 1.172 856 S CA -0.634 57.113 58.200 -0.755 0.000 1.116 856 S CB 0.109 62.828 63.200 -0.801 0.000 1.057 856 S HN 0.576 nan 8.310 nan 0.000 0.483 857 L N 2.953 124.063 121.223 -0.188 0.000 2.558 857 L HA 0.482 4.821 4.340 -0.001 0.000 0.225 857 L C 0.860 177.721 176.870 -0.015 0.000 1.128 857 L CA 0.305 55.118 54.840 -0.046 0.000 0.868 857 L CB 0.060 42.147 42.059 0.048 0.000 1.006 857 L HN 0.702 nan 8.230 nan 0.000 0.454 858 A N -1.197 121.602 122.820 -0.035 0.000 2.589 858 A HA 0.420 4.739 4.320 -0.001 0.000 0.296 858 A C -0.337 177.244 177.584 -0.004 0.000 1.062 858 A CA -0.418 51.616 52.037 -0.004 0.000 0.686 858 A CB 1.236 20.240 19.000 0.006 0.000 1.282 858 A HN -0.140 nan 8.150 nan 0.000 0.404 859 S N 0.149 115.860 115.700 0.020 0.000 2.702 859 S HA 0.353 4.822 4.470 -0.001 0.000 0.314 859 S C 1.579 176.197 174.600 0.029 0.000 1.244 859 S CA 2.173 60.393 58.200 0.033 0.000 1.058 859 S CB -0.265 62.958 63.200 0.038 0.000 0.783 859 S HN 2.633 nan 8.310 nan 0.000 0.503 860 G N 3.542 112.363 108.800 0.034 0.000 2.184 860 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.264 860 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.264 860 G C -0.158 174.734 174.900 -0.014 0.000 0.975 860 G CA 0.549 45.665 45.100 0.027 0.000 0.642 860 G HN 0.716 nan 8.290 nan 0.000 0.536 861 E N -0.598 119.579 120.200 -0.037 0.000 2.227 861 E HA 0.780 5.129 4.350 -0.001 0.000 0.268 861 E C -0.099 176.433 176.600 -0.113 0.000 0.990 861 E CA -0.703 55.650 56.400 -0.077 0.000 0.856 861 E CB 1.714 31.369 29.700 -0.076 0.000 1.159 861 E HN 0.248 nan 8.360 nan 0.000 0.401 862 L N 1.501 122.647 121.223 -0.128 0.000 2.422 862 L HA 0.442 4.782 4.340 -0.001 0.000 0.264 862 L C -0.736 176.049 176.870 -0.143 0.000 0.984 862 L CA -0.655 54.097 54.840 -0.147 0.000 0.819 862 L CB 2.160 44.164 42.059 -0.091 0.000 1.330 862 L HN 0.677 nan 8.230 nan 0.000 0.410 863 E N 3.022 123.129 120.200 -0.155 0.000 2.366 863 E HA 0.719 5.068 4.350 -0.001 0.000 0.278 863 E C -1.604 174.936 176.600 -0.100 0.000 0.923 863 E CA -0.825 55.515 56.400 -0.100 0.000 0.761 863 E CB 3.401 33.089 29.700 -0.021 0.000 1.231 863 E HN 0.544 nan 8.360 nan 0.000 0.443 864 I N 2.439 122.987 120.570 -0.036 0.000 2.610 864 I HA 0.321 4.491 4.170 -0.001 0.000 0.289 864 I C -1.447 174.725 176.117 0.090 0.000 1.163 864 I CA -1.172 60.133 61.300 0.008 0.000 1.044 864 I CB 1.960 39.964 38.000 0.008 0.000 1.251 864 I HN 0.795 nan 8.210 nan 0.000 0.424 865 M N 6.484 126.179 119.600 0.159 0.000 2.219 865 M HA 0.217 4.697 4.480 -0.001 0.000 0.353 865 M C 0.598 176.988 176.300 0.149 0.000 1.304 865 M CA 0.570 55.970 55.300 0.168 0.000 1.115 865 M CB 0.927 33.602 32.600 0.125 0.000 1.664 865 M HN 0.574 nan 8.290 nan 0.000 0.459 866 Q N 1.609 121.532 119.800 0.205 0.000 2.226 866 Q HA 0.230 4.570 4.340 -0.001 0.000 0.199 866 Q C -0.250 175.956 176.000 0.342 0.000 0.945 866 Q CA 0.875 56.869 55.803 0.319 0.000 0.861 866 Q CB 0.328 29.293 28.738 0.378 0.000 0.953 866 Q HN 0.749 nan 8.270 nan 0.000 0.490 867 D N -0.935 119.597 120.400 0.221 0.000 2.683 867 D HA 0.266 4.905 4.640 -0.001 0.000 0.246 867 D C -1.428 174.942 176.300 0.117 0.000 1.238 867 D CA -0.471 53.637 54.000 0.180 0.000 0.759 867 D CB 1.492 42.389 40.800 0.162 0.000 1.349 867 D HN 0.047 nan 8.370 nan 0.000 0.426 868 R N 0.951 121.509 120.500 0.097 0.000 2.584 868 R HA 0.694 5.034 4.340 -0.001 0.000 0.276 868 R C -1.041 175.303 176.300 0.072 0.000 1.046 868 R CA -1.067 55.074 56.100 0.068 0.000 0.906 868 R CB 2.260 32.571 30.300 0.017 0.000 1.215 868 R HN 0.316 nan 8.270 nan 0.000 0.449 869 R N 3.873 124.414 120.500 0.068 0.000 2.483 869 R HA 0.454 4.794 4.340 -0.001 0.000 0.303 869 R C -1.597 174.738 176.300 0.058 0.000 0.987 869 R CA -0.614 55.523 56.100 0.062 0.000 0.881 869 R CB 1.298 31.632 30.300 0.056 0.000 1.177 869 R HN 0.727 nan 8.270 nan 0.000 0.451 870 L N 4.115 125.370 121.223 0.054 0.000 2.404 870 L HA 0.514 4.853 4.340 -0.001 0.000 0.272 870 L C 0.529 177.425 176.870 0.044 0.000 0.980 870 L CA -0.433 54.438 54.840 0.051 0.000 0.836 870 L CB 2.167 44.257 42.059 0.051 0.000 1.238 870 L HN 0.815 nan 8.230 nan 0.000 0.408 871 A N 1.467 124.312 122.820 0.041 0.000 2.238 871 A HA 0.329 4.648 4.320 -0.001 0.000 0.210 871 A C 0.775 178.378 177.584 0.033 0.000 1.179 871 A CA 0.303 52.361 52.037 0.036 0.000 0.827 871 A CB 0.108 19.128 19.000 0.033 0.000 0.856 871 A HN 0.578 nan 8.150 nan 0.000 0.488 872 S N -0.227 115.494 115.700 0.035 0.000 2.621 872 S HA 0.432 4.901 4.470 -0.001 0.000 0.302 872 S C -0.833 173.787 174.600 0.035 0.000 1.093 872 S CA -0.664 57.555 58.200 0.033 0.000 1.017 872 S CB 1.560 64.779 63.200 0.032 0.000 1.077 872 S HN 0.459 nan 8.310 nan 0.000 0.517 873 D N 0.468 120.889 120.400 0.034 0.000 2.304 873 D HA 0.236 4.876 4.640 -0.001 0.000 0.247 873 D C -0.057 176.264 176.300 0.035 0.000 1.089 873 D CA -0.382 53.643 54.000 0.042 0.000 0.910 873 D CB 0.712 41.537 40.800 0.042 0.000 1.199 873 D HN 0.496 nan 8.370 nan 0.000 0.426 874 D N 2.164 122.590 120.400 0.043 0.000 2.427 874 D HA 0.044 4.684 4.640 -0.001 0.000 0.224 874 D C -0.352 175.935 176.300 -0.023 0.000 1.157 874 D CA -0.251 53.752 54.000 0.004 0.000 0.828 874 D CB -0.471 40.320 40.800 -0.015 0.000 0.974 874 D HN 0.669 nan 8.370 nan 0.000 0.498 875 E N -0.192 120.016 120.200 0.013 0.000 2.513 875 E HA -0.218 4.131 4.350 -0.001 0.000 0.257 875 E C 0.316 176.908 176.600 -0.012 0.000 1.098 875 E CA 0.130 56.535 56.400 0.009 0.000 0.752 875 E CB -0.586 29.112 29.700 -0.004 0.000 1.324 875 E HN 0.223 nan 8.360 nan 0.000 0.403 876 R N -0.797 119.692 120.500 -0.018 0.000 2.397 876 R HA 0.191 4.530 4.340 -0.001 0.000 0.241 876 R C 1.489 177.893 176.300 0.173 0.000 0.914 876 R CA 0.832 56.883 56.100 -0.081 0.000 1.071 876 R CB 1.142 31.078 30.300 -0.607 0.000 1.116 876 R HN 0.418 nan 8.270 nan 0.000 0.524 877 G N 0.581 109.537 108.800 0.260 0.000 2.229 877 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.189 877 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.189 877 G C 0.673 175.693 174.900 0.201 0.000 1.000 877 G CA 0.119 45.428 45.100 0.348 0.000 0.663 877 G HN 0.243 nan 8.290 nan 0.000 0.493 878 L N 1.711 123.134 121.223 0.333 0.000 2.156 878 L HA 0.469 4.808 4.340 -0.001 0.000 0.208 878 L C 2.118 178.973 176.870 -0.025 0.000 1.095 878 L CA 2.417 57.327 54.840 0.118 0.000 0.770 878 L CB -0.557 41.725 42.059 0.372 0.000 0.914 878 L HN 1.590 nan 8.230 nan 0.000 0.439 879 G N -0.013 108.809 108.800 0.037 0.000 2.249 879 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.273 879 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.273 879 G C 0.048 174.954 174.900 0.010 0.000 1.036 879 G CA 0.751 45.857 45.100 0.010 0.000 0.824 879 G HN 0.805 nan 8.290 nan 0.000 0.504 880 Q N -2.275 117.543 119.800 0.031 0.000 2.647 880 Q HA 0.656 4.995 4.340 -0.001 0.000 0.283 880 Q C 0.404 176.428 176.000 0.041 0.000 0.943 880 Q CA -0.591 55.230 55.803 0.029 0.000 0.813 880 Q CB 0.334 29.086 28.738 0.022 0.000 1.477 880 Q HN 0.953 nan 8.270 nan 0.000 0.393 881 G N 0.155 108.977 108.800 0.037 0.000 2.546 881 G HA2 0.506 4.466 3.960 -0.001 0.000 0.239 881 G HA3 0.506 4.466 3.960 -0.001 0.000 0.239 881 G C -0.903 174.022 174.900 0.041 0.000 1.476 881 G CA -0.518 44.605 45.100 0.039 0.000 1.064 881 G HN 0.442 nan 8.290 nan 0.000 0.561 882 V N 0.792 120.734 119.914 0.046 0.000 2.340 882 V HA 0.356 4.475 4.120 -0.001 0.000 0.277 882 V C 0.053 176.182 176.094 0.058 0.000 1.017 882 V CA -0.167 62.167 62.300 0.057 0.000 0.820 882 V CB 1.029 32.890 31.823 0.062 0.000 1.028 882 V HN 0.541 nan 8.190 nan 0.000 0.436 883 L N 3.330 124.586 121.223 0.055 0.000 3.333 883 L HA 0.312 4.651 4.340 -0.001 0.000 0.299 883 L C 0.589 177.488 176.870 0.048 0.000 1.256 883 L CA 0.056 54.924 54.840 0.048 0.000 1.037 883 L CB 0.775 42.857 42.059 0.038 0.000 1.423 883 L HN 0.694 nan 8.230 nan 0.000 0.605 884 D N -2.215 118.222 120.400 0.062 0.000 2.525 884 D HA 0.049 4.689 4.640 -0.001 0.000 0.229 884 D C 0.154 176.497 176.300 0.071 0.000 1.202 884 D CA -0.450 53.588 54.000 0.064 0.000 0.828 884 D CB -0.391 40.455 40.800 0.077 0.000 1.008 884 D HN 0.066 nan 8.370 nan 0.000 0.493 885 N N 1.695 120.435 118.700 0.066 0.000 2.407 885 N HA 0.098 4.838 4.740 -0.001 0.000 0.250 885 N C 0.153 175.672 175.510 0.015 0.000 1.236 885 N CA 0.373 53.461 53.050 0.064 0.000 0.879 885 N CB 0.659 39.180 38.487 0.057 0.000 1.088 885 N HN 0.307 nan 8.380 nan 0.000 0.450 886 K N -0.021 120.371 120.400 -0.012 0.000 2.512 886 K HA 0.574 4.893 4.320 -0.001 0.000 0.263 886 K C -3.211 173.353 176.600 -0.059 0.000 0.966 886 K CA -2.087 54.145 56.287 -0.092 0.000 0.851 886 K CB 1.244 33.594 32.500 -0.251 0.000 1.395 886 K HN 0.125 nan 8.250 nan 0.000 0.440 887 P HA -0.001 nan 4.420 nan 0.000 0.264 887 P C -1.017 176.295 177.300 0.020 0.000 1.193 887 P CA -0.416 62.657 63.100 -0.045 0.000 0.763 887 P CB 0.759 32.420 31.700 -0.064 0.000 0.810 888 V N 5.327 125.225 119.914 -0.026 0.000 2.709 888 V HA 0.452 4.572 4.120 -0.001 0.000 0.308 888 V C -1.189 174.776 176.094 -0.215 0.000 1.062 888 V CA -1.115 61.151 62.300 -0.057 0.000 0.901 888 V CB 2.078 33.841 31.823 -0.101 0.000 1.003 888 V HN 0.279 nan 8.190 nan 0.000 0.425 889 L N 7.086 128.210 121.223 -0.166 0.000 2.270 889 L HA 0.572 4.912 4.340 -0.001 0.000 0.286 889 L C -0.352 176.486 176.870 -0.054 0.000 1.059 889 L CA 0.114 54.885 54.840 -0.115 0.000 0.839 889 L CB 0.261 42.277 42.059 -0.073 0.000 1.221 889 L HN 0.679 nan 8.230 nan 0.000 0.431 890 H N 5.889 124.963 119.070 0.008 0.000 2.646 890 H HA 0.438 4.993 4.556 -0.001 0.000 0.325 890 H C -0.071 175.124 175.328 -0.222 0.000 1.075 890 H CA -0.186 55.804 56.048 -0.098 0.000 1.421 890 H CB 0.964 30.744 29.762 0.030 0.000 1.461 890 H HN 0.676 nan 8.280 nan 0.000 0.525 891 I N 0.465 120.838 120.570 -0.328 0.000 2.646 891 I HA 0.603 4.772 4.170 -0.001 0.000 0.299 891 I C -1.348 174.401 176.117 -0.615 0.000 1.036 891 I CA -0.986 60.144 61.300 -0.283 0.000 1.074 891 I CB 2.035 39.975 38.000 -0.101 0.000 1.258 891 I HN 0.213 nan 8.210 nan 0.000 0.430 892 Y N 2.581 122.928 120.300 0.079 0.000 2.625 892 Y HA 0.695 5.244 4.550 -0.001 0.000 0.338 892 Y C -0.540 175.411 175.900 0.086 0.000 1.123 892 Y CA -1.104 57.050 58.100 0.090 0.000 1.046 892 Y CB 1.545 40.079 38.460 0.123 0.000 1.299 892 Y HN 0.412 nan 8.280 nan 0.000 0.464 893 R N 1.378 122.037 120.500 0.266 0.000 2.740 893 R HA 0.634 4.973 4.340 -0.001 0.000 0.282 893 R C -1.871 174.545 176.300 0.193 0.000 0.969 893 R CA -1.150 55.063 56.100 0.187 0.000 0.918 893 R CB 2.583 32.954 30.300 0.119 0.000 1.175 893 R HN 0.665 nan 8.270 nan 0.000 0.464 894 L N 2.126 123.442 121.223 0.156 0.000 2.342 894 L HA 0.430 4.769 4.340 -0.001 0.000 0.276 894 L C -1.320 175.585 176.870 0.058 0.000 0.997 894 L CA -0.551 54.360 54.840 0.118 0.000 0.838 894 L CB 1.862 44.011 42.059 0.149 0.000 1.224 894 L HN 0.311 nan 8.230 nan 0.000 0.416 895 V N 6.136 126.067 119.914 0.028 0.000 2.349 895 V HA 0.421 4.541 4.120 -0.001 0.000 0.284 895 V C -0.353 175.719 176.094 -0.036 0.000 1.014 895 V CA -0.553 61.744 62.300 -0.006 0.000 0.826 895 V CB 1.370 33.181 31.823 -0.019 0.000 1.009 895 V HN 0.661 nan 8.190 nan 0.000 0.431 896 L N 4.847 126.046 121.223 -0.041 0.000 2.289 896 L HA 0.703 5.042 4.340 -0.001 0.000 0.285 896 L C -0.175 176.659 176.870 -0.061 0.000 1.049 896 L CA 0.634 55.441 54.840 -0.055 0.000 0.804 896 L CB 1.218 43.242 42.059 -0.057 0.000 1.195 896 L HN 0.716 nan 8.230 nan 0.000 0.428 897 E N 3.208 123.363 120.200 -0.074 0.000 2.356 897 E HA 0.392 4.742 4.350 -0.001 0.000 0.275 897 E C -1.232 175.323 176.600 -0.075 0.000 0.904 897 E CA -1.184 55.167 56.400 -0.081 0.000 0.757 897 E CB 1.616 31.249 29.700 -0.113 0.000 1.232 897 E HN 0.275 nan 8.360 nan 0.000 0.442 898 K N 1.468 121.828 120.400 -0.066 0.000 2.339 898 K HA 0.151 4.471 4.320 -0.001 0.000 0.286 898 K C 0.434 176.990 176.600 -0.072 0.000 1.050 898 K CA -0.075 56.177 56.287 -0.059 0.000 0.956 898 K CB 0.933 33.404 32.500 -0.049 0.000 0.990 898 K HN 0.445 nan 8.250 nan 0.000 0.475 899 V N -0.335 119.537 119.914 -0.070 0.000 3.330 899 V HA 0.042 4.161 4.120 -0.001 0.000 0.309 899 V C 1.166 177.224 176.094 -0.061 0.000 1.481 899 V CA -0.209 62.041 62.300 -0.083 0.000 1.068 899 V CB -0.191 31.565 31.823 -0.112 0.000 0.935 899 V HN 0.634 nan 8.190 nan 0.000 0.453 900 N N 1.567 120.240 118.700 -0.044 0.000 2.364 900 N HA -0.182 4.558 4.740 -0.001 0.000 0.183 900 N C 1.026 176.515 175.510 -0.035 0.000 1.022 900 N CA 1.684 54.715 53.050 -0.032 0.000 0.883 900 N CB -0.545 37.928 38.487 -0.023 0.000 0.965 900 N HN 0.529 nan 8.380 nan 0.000 0.438 901 N N 0.151 118.825 118.700 -0.043 0.000 2.467 901 N HA 0.044 4.784 4.740 -0.001 0.000 0.184 901 N C -0.147 175.332 175.510 -0.052 0.000 1.106 901 N CA 0.002 53.026 53.050 -0.044 0.000 0.892 901 N CB -0.111 38.349 38.487 -0.044 0.000 0.969 901 N HN 0.252 nan 8.380 nan 0.000 0.454 902 c N 1.058 119.620 118.600 -0.063 0.000 2.536 902 c HA 0.273 4.842 4.570 -0.001 0.000 0.396 902 c C 1.020 175.072 174.090 -0.063 0.000 1.279 902 c CA -1.018 55.266 56.329 -0.075 0.000 2.148 902 c CB 0.946 43.396 42.510 -0.100 0.000 2.584 902 c HN 0.017 nan 8.230 nan 0.000 0.579 903 V N 5.363 125.237 119.914 -0.068 0.000 2.381 903 V HA 0.166 4.286 4.120 -0.001 0.000 0.257 903 V C 0.674 176.732 176.094 -0.060 0.000 1.057 903 V CA 0.413 62.678 62.300 -0.059 0.000 1.013 903 V CB -0.829 30.956 31.823 -0.064 0.000 1.069 903 V HN 0.783 nan 8.190 nan 0.000 0.484 904 R N 4.724 125.202 120.500 -0.038 0.000 2.643 904 R HA 0.506 4.846 4.340 -0.001 0.000 0.272 904 R C -2.402 173.896 176.300 -0.005 0.000 0.995 904 R CA -1.814 54.275 56.100 -0.020 0.000 1.032 904 R CB 0.807 31.098 30.300 -0.014 0.000 1.126 904 R HN 0.386 nan 8.270 nan 0.000 0.505 905 P HA -0.063 nan 4.420 nan 0.000 0.269 905 P C -0.293 177.047 177.300 0.067 0.000 1.217 905 P CA -0.072 63.015 63.100 -0.021 0.000 0.783 905 P CB 0.579 32.206 31.700 -0.121 0.000 0.898 906 S N 1.332 117.098 115.700 0.110 0.000 2.606 906 S HA 0.074 4.543 4.470 -0.001 0.000 0.257 906 S C 1.211 175.892 174.600 0.135 0.000 1.327 906 S CA -0.128 58.139 58.200 0.112 0.000 0.984 906 S CB 0.287 63.554 63.200 0.112 0.000 0.941 906 S HN 0.298 nan 8.310 nan 0.000 0.576 907 K N 0.298 120.759 120.400 0.101 0.000 2.103 907 K HA -0.048 4.272 4.320 -0.001 0.000 0.207 907 K C 1.655 178.309 176.600 0.090 0.000 1.048 907 K CA 1.427 57.768 56.287 0.091 0.000 0.930 907 K CB -0.624 31.914 32.500 0.063 0.000 0.716 907 K HN 0.595 nan 8.250 nan 0.000 0.444 908 L N 0.264 121.541 121.223 0.090 0.000 2.591 908 L HA 0.034 4.374 4.340 -0.001 0.000 0.228 908 L C 1.188 178.108 176.870 0.083 0.000 1.133 908 L CA -0.141 54.737 54.840 0.063 0.000 0.880 908 L CB -0.372 41.710 42.059 0.039 0.000 1.033 908 L HN 0.207 nan 8.230 nan 0.000 0.450 909 H N 2.528 121.633 119.070 0.059 0.000 2.610 909 H HA 0.125 4.681 4.556 -0.001 0.000 0.336 909 H C -1.724 173.639 175.328 0.059 0.000 1.087 909 H CA -1.469 54.627 56.048 0.080 0.000 1.405 909 H CB 2.002 31.841 29.762 0.129 0.000 1.460 909 H HN -0.103 nan 8.280 nan 0.000 0.538 910 P HA 0.145 nan 4.420 nan 0.000 0.245 910 P C -0.386 176.998 177.300 0.141 0.000 1.206 910 P CA 0.191 63.309 63.100 0.030 0.000 0.781 910 P CB 0.502 32.153 31.700 -0.081 0.000 0.994 911 A N -0.326 122.749 122.820 0.425 0.000 2.299 911 A HA 0.756 5.075 4.320 -0.001 0.000 0.332 911 A C 0.298 177.957 177.584 0.125 0.000 1.131 911 A CA -0.282 51.883 52.037 0.213 0.000 0.844 911 A CB 1.018 20.137 19.000 0.199 0.000 1.251 911 A HN 0.170 nan 8.150 nan 0.000 0.486 912 G N -1.475 107.273 108.800 -0.087 0.000 2.733 912 G HA2 0.632 4.592 3.960 -0.001 0.000 0.288 912 G HA3 0.632 4.592 3.960 -0.001 0.000 0.288 912 G C -1.859 172.649 174.900 -0.653 0.000 1.373 912 G CA -0.416 44.539 45.100 -0.242 0.000 0.895 912 G HN 0.525 nan 8.290 nan 0.000 0.479 913 Y N -0.994 119.282 120.300 -0.039 0.000 2.524 913 Y HA 0.519 5.069 4.550 -0.001 0.000 0.347 913 Y C 0.382 176.042 175.900 -0.399 0.000 1.005 913 Y CA -0.819 57.182 58.100 -0.164 0.000 1.025 913 Y CB 2.016 40.369 38.460 -0.178 0.000 1.275 913 Y HN 0.355 nan 8.280 nan 0.000 0.460 914 L N 1.914 122.974 121.223 -0.273 0.000 2.453 914 L HA 0.393 4.733 4.340 -0.001 0.000 0.261 914 L C 0.738 177.457 176.870 -0.252 0.000 1.179 914 L CA -0.615 53.987 54.840 -0.398 0.000 0.813 914 L CB 0.686 42.587 42.059 -0.263 0.000 1.110 914 L HN 0.781 nan 8.230 nan 0.000 0.466 915 T N -2.604 111.792 114.554 -0.264 0.000 2.788 915 T HA 0.045 4.395 4.350 -0.001 0.000 0.280 915 T C 1.184 175.838 174.700 -0.077 0.000 0.984 915 T CA -0.134 61.865 62.100 -0.169 0.000 0.972 915 T CB 1.387 70.150 68.868 -0.175 0.000 1.039 915 T HN 0.618 nan 8.240 nan 0.000 0.530 916 S N 0.528 116.195 115.700 -0.055 0.000 2.365 916 S HA -0.181 4.288 4.470 -0.001 0.000 0.225 916 S C 2.351 176.962 174.600 0.019 0.000 1.039 916 S CA 1.653 59.855 58.200 0.003 0.000 1.033 916 S CB -1.284 61.901 63.200 -0.026 0.000 0.887 916 S HN 0.923 nan 8.310 nan 0.000 0.447 917 A N 1.289 124.096 122.820 -0.023 0.000 1.902 917 A HA 0.183 4.503 4.320 -0.001 0.000 0.217 917 A C 2.498 180.077 177.584 -0.008 0.000 1.181 917 A CA 2.014 54.040 52.037 -0.019 0.000 0.623 917 A CB -1.421 17.558 19.000 -0.035 0.000 0.818 917 A HN 0.828 nan 8.150 nan 0.000 0.443 918 A N -1.406 121.398 122.820 -0.028 0.000 1.898 918 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 918 A C 2.125 179.743 177.584 0.058 0.000 1.181 918 A CA 1.636 53.663 52.037 -0.017 0.000 0.620 918 A CB -0.966 17.965 19.000 -0.115 0.000 0.819 918 A HN 0.784 nan 8.150 nan 0.000 0.442 919 H N 0.042 119.102 119.070 -0.017 0.000 2.321 919 H HA -0.092 4.463 4.556 -0.001 0.000 0.300 919 H C 1.908 177.278 175.328 0.069 0.000 1.087 919 H CA 1.896 57.972 56.048 0.048 0.000 1.319 919 H CB -0.054 29.730 29.762 0.037 0.000 1.379 919 H HN 0.440 nan 8.280 nan 0.000 0.501 920 K N 0.236 120.589 120.400 -0.079 0.000 2.063 920 K HA -0.119 4.200 4.320 -0.001 0.000 0.208 920 K C 2.430 178.997 176.600 -0.056 0.000 1.048 920 K CA 1.002 57.231 56.287 -0.097 0.000 0.928 920 K CB -0.114 32.373 32.500 -0.021 0.000 0.713 920 K HN 0.286 nan 8.250 nan 0.000 0.442 921 A N 0.950 123.762 122.820 -0.013 0.000 1.883 921 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 921 A C 2.230 179.826 177.584 0.019 0.000 1.186 921 A CA 2.173 54.218 52.037 0.014 0.000 0.624 921 A CB -0.803 18.218 19.000 0.036 0.000 0.822 921 A HN 0.313 nan 8.150 nan 0.000 0.444 922 S N -0.655 115.065 115.700 0.034 0.000 2.359 922 S HA -0.267 4.202 4.470 -0.001 0.000 0.224 922 S C 2.152 176.756 174.600 0.007 0.000 1.035 922 S CA 1.847 60.085 58.200 0.063 0.000 1.018 922 S CB -0.455 62.837 63.200 0.153 0.000 0.876 922 S HN 0.672 nan 8.310 nan 0.000 0.448 923 Q N 0.575 120.334 119.800 -0.069 0.000 2.181 923 Q HA -0.106 4.234 4.340 -0.001 0.000 0.205 923 Q C 2.533 178.495 176.000 -0.064 0.000 0.980 923 Q CA 1.740 57.498 55.803 -0.074 0.000 0.862 923 Q CB -0.342 28.325 28.738 -0.118 0.000 0.905 923 Q HN 0.834 nan 8.270 nan 0.000 0.429 924 S N 0.280 115.951 115.700 -0.049 0.000 2.423 924 S HA -0.091 4.379 4.470 -0.001 0.000 0.231 924 S C 1.875 176.431 174.600 -0.072 0.000 1.014 924 S CA 0.719 58.888 58.200 -0.052 0.000 0.965 924 S CB -0.269 62.916 63.200 -0.025 0.000 0.785 924 S HN 0.286 nan 8.310 nan 0.000 0.495 925 L N 0.061 121.253 121.223 -0.052 0.000 2.127 925 L HA 0.207 4.546 4.340 -0.001 0.000 0.203 925 L C 2.552 179.362 176.870 -0.099 0.000 1.080 925 L CA 0.810 55.613 54.840 -0.062 0.000 0.768 925 L CB -0.378 41.664 42.059 -0.028 0.000 0.924 925 L HN 0.281 nan 8.230 nan 0.000 0.444 926 L N -1.259 119.911 121.223 -0.088 0.000 2.249 926 L HA 0.043 4.383 4.340 -0.001 0.000 0.207 926 L C 0.142 176.894 176.870 -0.197 0.000 1.090 926 L CA 0.749 55.523 54.840 -0.110 0.000 0.802 926 L CB 0.167 42.188 42.059 -0.063 0.000 0.947 926 L HN 0.209 nan 8.230 nan 0.000 0.453 927 D N 0.378 120.648 120.400 -0.217 0.000 2.656 927 D HA 0.230 4.870 4.640 -0.001 0.000 0.303 927 D C -2.378 173.713 176.300 -0.348 0.000 1.199 927 D CA -0.957 52.834 54.000 -0.350 0.000 0.797 927 D CB 1.436 42.224 40.800 -0.019 0.000 1.170 927 D HN 0.046 nan 8.370 nan 0.000 0.509 928 P HA 0.152 nan 4.420 nan 0.000 0.275 928 P C 0.601 177.773 177.300 -0.213 0.000 1.266 928 P CA -0.530 62.414 63.100 -0.260 0.000 0.793 928 P CB 1.492 33.048 31.700 -0.241 0.000 1.074 929 L N 0.724 121.877 121.223 -0.117 0.000 2.514 929 L HA 0.057 4.396 4.340 -0.001 0.000 0.280 929 L C 0.863 177.707 176.870 -0.042 0.000 1.223 929 L CA 0.514 55.326 54.840 -0.046 0.000 0.864 929 L CB -0.420 41.631 42.059 -0.013 0.000 1.118 929 L HN 0.279 nan 8.230 nan 0.000 0.494 930 D N 2.977 123.415 120.400 0.063 0.000 2.225 930 D HA 0.356 4.996 4.640 -0.001 0.000 0.249 930 D C -0.281 176.003 176.300 -0.027 0.000 1.052 930 D CA -0.301 53.678 54.000 -0.034 0.000 0.909 930 D CB 1.675 42.492 40.800 0.029 0.000 1.186 930 D HN 0.371 nan 8.370 nan 0.000 0.431 931 K N 1.163 121.427 120.400 -0.227 0.000 2.324 931 K HA 0.498 4.818 4.320 -0.001 0.000 0.253 931 K C -1.037 175.460 176.600 -0.173 0.000 0.932 931 K CA -0.676 55.618 56.287 0.011 0.000 0.799 931 K CB 1.586 34.074 32.500 -0.020 0.000 1.154 931 K HN 0.218 nan 8.250 nan 0.000 0.425 932 F N 2.380 122.523 119.950 0.322 0.000 2.540 932 F HA 0.491 5.017 4.527 -0.001 0.000 0.317 932 F C -0.026 176.079 175.800 0.509 0.000 1.104 932 F CA -0.868 57.324 58.000 0.319 0.000 0.913 932 F CB 1.222 40.230 39.000 0.015 0.000 1.170 932 F HN 0.194 nan 8.300 nan 0.000 0.450 933 I N 3.392 124.358 120.570 0.660 0.000 2.354 933 I HA 0.222 4.392 4.170 -0.001 0.000 0.292 933 I C -0.509 175.891 176.117 0.470 0.000 0.989 933 I CA -0.824 60.775 61.300 0.499 0.000 1.188 933 I CB 1.214 39.411 38.000 0.327 0.000 1.342 933 I HN 0.452 nan 8.210 nan 0.000 0.457 934 F N 5.843 125.934 119.950 0.234 0.000 2.538 934 F HA 0.229 4.756 4.527 -0.001 0.000 0.371 934 F C 1.134 176.841 175.800 -0.155 0.000 1.087 934 F CA 0.022 57.855 58.000 -0.279 0.000 1.250 934 F CB 1.219 40.101 39.000 -0.196 0.000 1.110 934 F HN 0.577 nan 8.300 nan 0.000 0.570 935 A N 4.487 126.667 122.820 -1.066 0.000 2.081 935 A HA 0.127 4.447 4.320 -0.001 0.000 0.214 935 A C 0.871 178.163 177.584 -0.487 0.000 1.158 935 A CA 0.409 52.087 52.037 -0.598 0.000 0.724 935 A CB -0.282 18.373 19.000 -0.573 0.000 0.826 935 A HN 0.777 nan 8.150 nan 0.000 0.463 936 E N -0.943 118.822 120.200 -0.726 0.000 2.405 936 E HA 0.224 4.574 4.350 -0.001 0.000 0.249 936 E C -0.014 176.694 176.600 0.181 0.000 1.028 936 E CA -0.882 55.414 56.400 -0.172 0.000 0.897 936 E CB 0.386 30.042 29.700 -0.074 0.000 1.262 936 E HN 0.139 nan 8.360 nan 0.000 0.442 937 N N 0.466 119.306 118.700 0.233 0.000 2.333 937 N HA -0.038 4.702 4.740 -0.001 0.000 0.178 937 N C -0.374 175.337 175.510 0.336 0.000 1.018 937 N CA 0.881 54.078 53.050 0.246 0.000 0.882 937 N CB 0.400 38.980 38.487 0.155 0.000 0.984 937 N HN 0.397 nan 8.380 nan 0.000 0.434 938 E N -0.634 119.812 120.200 0.410 0.000 2.263 938 E HA 0.099 4.449 4.350 -0.001 0.000 0.268 938 E C -1.591 175.219 176.600 0.349 0.000 0.884 938 E CA -0.640 55.960 56.400 0.333 0.000 0.766 938 E CB 1.386 31.214 29.700 0.214 0.000 1.196 938 E HN 0.004 nan 8.360 nan 0.000 0.416 939 W N 7.723 128.881 121.300 -0.236 0.000 2.295 939 W HA 0.414 5.074 4.660 -0.001 0.000 0.333 939 W C -1.334 175.065 176.519 -0.201 0.000 0.990 939 W CA -1.309 55.688 57.345 -0.581 0.000 1.453 939 W CB -0.131 28.458 29.460 -1.450 0.000 1.263 939 W HN 0.442 nan 8.180 nan 0.000 0.380 940 I N 5.875 126.587 120.570 0.236 0.000 2.471 940 I HA 0.296 4.465 4.170 -0.001 0.000 0.286 940 I C 1.479 177.604 176.117 0.014 0.000 1.079 940 I CA 1.162 62.515 61.300 0.089 0.000 1.398 940 I CB 0.680 38.761 38.000 0.136 0.000 1.403 940 I HN 0.773 nan 8.210 nan 0.000 0.530 941 G N 4.245 112.956 108.800 -0.149 0.000 2.157 941 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.248 941 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.248 941 G C 0.442 175.086 174.900 -0.425 0.000 0.979 941 G CA -0.143 44.845 45.100 -0.186 0.000 0.650 941 G HN 1.014 nan 8.290 nan 0.000 0.529 942 A N -0.186 122.102 122.820 -0.887 0.000 2.565 942 A HA 0.515 4.834 4.320 -0.001 0.000 0.237 942 A C 0.618 177.719 177.584 -0.806 0.000 1.053 942 A CA 0.894 52.010 52.037 -1.536 0.000 0.755 942 A CB 0.203 17.734 19.000 -2.448 0.000 0.980 942 A HN 0.626 nan 8.150 nan 0.000 0.506 943 Q N 0.925 120.330 119.800 -0.660 0.000 2.351 943 Q HA 0.514 4.853 4.340 -0.001 0.000 0.273 943 Q C 1.071 176.917 176.000 -0.257 0.000 1.077 943 Q CA -0.222 55.382 55.803 -0.332 0.000 0.843 943 Q CB 1.960 30.581 28.738 -0.196 0.000 1.367 943 Q HN 0.802 nan 8.270 nan 0.000 0.449 944 G N 0.164 108.870 108.800 -0.157 0.000 2.603 944 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.214 944 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.214 944 G C 0.244 175.114 174.900 -0.050 0.000 1.140 944 G CA 0.572 45.608 45.100 -0.107 0.000 0.800 944 G HN 0.449 nan 8.290 nan 0.000 0.533 945 Q N -1.424 118.358 119.800 -0.029 0.000 2.527 945 Q HA 0.504 4.843 4.340 -0.001 0.000 0.280 945 Q C -2.375 173.642 176.000 0.029 0.000 0.977 945 Q CA -0.921 54.882 55.803 0.000 0.000 0.837 945 Q CB 2.086 30.814 28.738 -0.018 0.000 1.454 945 Q HN 0.052 nan 8.270 nan 0.000 0.387 946 F N 1.443 121.291 119.950 -0.170 0.000 2.547 946 F HA 0.656 5.182 4.527 -0.001 0.000 0.316 946 F C 0.516 176.061 175.800 -0.424 0.000 1.121 946 F CA 0.480 58.315 58.000 -0.276 0.000 0.911 946 F CB 2.056 40.898 39.000 -0.264 0.000 1.179 946 F HN 0.679 nan 8.300 nan 0.000 0.443 947 G N 3.154 111.030 108.800 -1.541 0.000 2.141 947 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.231 947 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.231 947 G C 1.000 175.221 174.900 -1.132 0.000 0.984 947 G CA 0.187 44.045 45.100 -2.070 0.000 0.660 947 G HN 1.531 nan 8.290 nan 0.000 0.525 948 G N 1.092 109.527 108.800 -0.608 0.000 2.470 948 G HA2 0.036 3.995 3.960 -0.001 0.000 0.220 948 G HA3 0.036 3.995 3.960 -0.001 0.000 0.220 948 G C 1.232 176.071 174.900 -0.100 0.000 1.121 948 G CA 1.710 46.696 45.100 -0.190 0.000 0.766 948 G HN 0.795 nan 8.290 nan 0.000 0.553 949 D N -0.679 119.571 120.400 -0.251 0.000 2.339 949 D HA 0.014 4.653 4.640 -0.001 0.000 0.217 949 D C 0.340 176.623 176.300 -0.028 0.000 1.050 949 D CA -0.403 53.538 54.000 -0.097 0.000 0.856 949 D CB -0.801 39.945 40.800 -0.090 0.000 0.922 949 D HN 0.447 nan 8.370 nan 0.000 0.518 950 H N 0.971 119.932 119.070 -0.181 0.000 2.732 950 H HA 0.249 4.804 4.556 -0.001 0.000 0.351 950 H C -2.008 173.286 175.328 -0.056 0.000 1.090 950 H CA -1.783 54.179 56.048 -0.143 0.000 1.431 950 H CB 0.718 30.342 29.762 -0.230 0.000 1.447 950 H HN -0.031 nan 8.280 nan 0.000 0.582 951 P HA -0.048 nan 4.420 nan 0.000 0.268 951 P C -0.669 176.698 177.300 0.112 0.000 1.204 951 P CA 0.052 63.210 63.100 0.098 0.000 0.768 951 P CB 0.772 32.507 31.700 0.057 0.000 0.842 952 S N 2.477 118.278 115.700 0.168 0.000 2.415 952 S HA 0.580 5.050 4.470 -0.001 0.000 0.313 952 S C 0.024 174.738 174.600 0.189 0.000 1.067 952 S CA -0.591 57.744 58.200 0.224 0.000 1.099 952 S CB -0.669 62.782 63.200 0.418 0.000 0.991 952 S HN 0.483 nan 8.310 nan 0.000 0.491 953 A N 4.496 127.421 122.820 0.176 0.000 2.332 953 A HA 0.530 4.849 4.320 -0.001 0.000 0.258 953 A C 0.521 178.186 177.584 0.134 0.000 1.087 953 A CA -0.600 51.519 52.037 0.137 0.000 0.802 953 A CB 0.219 19.294 19.000 0.126 0.000 1.042 953 A HN 0.915 nan 8.150 nan 0.000 0.489 954 R N 0.075 120.626 120.500 0.086 0.000 2.638 954 R HA -0.031 4.308 4.340 -0.001 0.000 0.268 954 R C 1.469 177.798 176.300 0.048 0.000 1.006 954 R CA 0.946 57.076 56.100 0.051 0.000 1.088 954 R CB 0.332 30.646 30.300 0.023 0.000 0.950 954 R HN 0.919 nan 8.270 nan 0.000 0.419 955 E N 2.031 122.222 120.200 -0.015 0.000 2.267 955 E HA -0.240 4.109 4.350 -0.001 0.000 0.197 955 E C 0.188 176.845 176.600 0.094 0.000 0.998 955 E CA 1.590 57.959 56.400 -0.051 0.000 0.830 955 E CB -0.037 29.606 29.700 -0.096 0.000 0.751 955 E HN 0.753 nan 8.360 nan 0.000 0.491 956 D N 0.563 120.979 120.400 0.028 0.000 2.349 956 D HA -0.001 4.639 4.640 -0.001 0.000 0.215 956 D C 0.381 176.695 176.300 0.022 0.000 1.016 956 D CA -0.163 53.813 54.000 -0.040 0.000 0.870 956 D CB -0.048 40.663 40.800 -0.148 0.000 0.917 956 D HN 0.170 nan 8.370 nan 0.000 0.524 957 L N 1.074 122.355 121.223 0.096 0.000 2.289 957 L HA 0.474 4.813 4.340 -0.001 0.000 0.285 957 L C -0.975 176.030 176.870 0.225 0.000 1.049 957 L CA -0.409 54.505 54.840 0.123 0.000 0.804 957 L CB 1.467 43.586 42.059 0.098 0.000 1.195 957 L HN -0.215 nan 8.230 nan 0.000 0.428 958 D N 2.546 123.101 120.400 0.257 0.000 2.433 958 D HA 0.378 5.018 4.640 -0.001 0.000 0.236 958 D C -1.245 175.219 176.300 0.273 0.000 1.026 958 D CA -0.289 53.884 54.000 0.289 0.000 0.884 958 D CB 2.328 43.348 40.800 0.366 0.000 1.384 958 D HN 0.234 nan 8.370 nan 0.000 0.477 959 V N 3.343 123.394 119.914 0.228 0.000 2.284 959 V HA 0.129 4.248 4.120 -0.001 0.000 0.260 959 V C 1.268 177.500 176.094 0.231 0.000 1.084 959 V CA -0.049 62.397 62.300 0.243 0.000 0.894 959 V CB 0.500 32.448 31.823 0.209 0.000 1.119 959 V HN 0.584 nan 8.190 nan 0.000 0.484 960 S N 3.134 119.001 115.700 0.278 0.000 2.402 960 S HA 0.006 4.476 4.470 -0.001 0.000 0.229 960 S C 0.631 175.292 174.600 0.101 0.000 1.021 960 S CA 0.821 59.138 58.200 0.196 0.000 0.974 960 S CB 0.187 63.562 63.200 0.292 0.000 0.800 960 S HN 0.510 nan 8.310 nan 0.000 0.484 961 V N 1.403 121.417 119.914 0.167 0.000 2.733 961 V HA 0.499 4.618 4.120 -0.001 0.000 0.306 961 V C -0.804 175.374 176.094 0.140 0.000 1.084 961 V CA -0.580 61.793 62.300 0.121 0.000 0.905 961 V CB 1.944 33.863 31.823 0.160 0.000 1.010 961 V HN 0.345 nan 8.190 nan 0.000 0.424 962 M N 5.325 124.930 119.600 0.009 0.000 2.259 962 M HA 0.702 5.181 4.480 -0.001 0.000 0.304 962 M C -1.039 175.107 176.300 -0.257 0.000 1.019 962 M CA -0.509 54.672 55.300 -0.200 0.000 0.922 962 M CB 1.620 34.106 32.600 -0.189 0.000 1.600 962 M HN 0.751 nan 8.290 nan 0.000 0.433 963 R N 4.155 124.427 120.500 -0.381 0.000 2.512 963 R HA 0.396 4.735 4.340 -0.001 0.000 0.291 963 R C -1.334 174.736 176.300 -0.383 0.000 1.097 963 R CA -0.665 55.261 56.100 -0.289 0.000 0.940 963 R CB 1.745 31.972 30.300 -0.123 0.000 1.198 963 R HN 0.909 nan 8.270 nan 0.000 0.429 964 R N 4.499 124.825 120.500 -0.289 0.000 2.449 964 R HA 0.095 4.434 4.340 -0.001 0.000 0.296 964 R C 0.195 176.385 176.300 -0.183 0.000 1.047 964 R CA 0.195 56.154 56.100 -0.234 0.000 1.018 964 R CB 0.577 30.794 30.300 -0.139 0.000 0.962 964 R HN 0.691 nan 8.270 nan 0.000 0.428 965 L N 3.099 124.209 121.223 -0.189 0.000 2.616 965 L HA 0.141 4.480 4.340 -0.001 0.000 0.229 965 L C 0.334 177.154 176.870 -0.083 0.000 1.110 965 L CA 0.032 54.784 54.840 -0.147 0.000 0.884 965 L CB 0.518 42.458 42.059 -0.198 0.000 1.115 965 L HN 0.712 nan 8.230 nan 0.000 0.481 966 T N -2.836 111.679 114.554 -0.066 0.000 2.887 966 T HA 0.451 4.801 4.350 -0.001 0.000 0.288 966 T C -0.229 174.463 174.700 -0.014 0.000 1.021 966 T CA -0.918 61.160 62.100 -0.036 0.000 1.000 966 T CB 2.403 71.255 68.868 -0.027 0.000 1.034 966 T HN -0.093 nan 8.240 nan 0.000 0.467 967 K N 0.860 121.258 120.400 -0.003 0.000 2.117 967 K HA 0.334 4.653 4.320 -0.001 0.000 0.240 967 K C 1.606 178.219 176.600 0.023 0.000 1.031 967 K CA -0.270 56.026 56.287 0.015 0.000 0.909 967 K CB 0.580 33.088 32.500 0.013 0.000 1.097 967 K HN 0.803 nan 8.250 nan 0.000 0.492 968 S N -0.711 115.012 115.700 0.037 0.000 2.453 968 S HA -0.141 4.329 4.470 -0.001 0.000 0.231 968 S C 1.842 176.457 174.600 0.025 0.000 1.005 968 S CA 1.322 59.544 58.200 0.036 0.000 0.949 968 S CB -0.317 62.912 63.200 0.048 0.000 0.774 968 S HN 0.641 nan 8.310 nan 0.000 0.510 969 S N 1.786 117.499 115.700 0.022 0.000 2.515 969 S HA 0.374 4.844 4.470 -0.001 0.000 0.231 969 S C 0.876 175.482 174.600 0.010 0.000 0.987 969 S CA 0.099 58.308 58.200 0.016 0.000 0.936 969 S CB -0.732 62.478 63.200 0.016 0.000 0.766 969 S HN 0.781 nan 8.310 nan 0.000 0.528 970 A N 1.987 124.811 122.820 0.007 0.000 2.492 970 A HA 0.312 4.632 4.320 -0.001 0.000 0.254 970 A C 1.287 178.875 177.584 0.006 0.000 1.091 970 A CA -0.167 51.870 52.037 0.001 0.000 0.768 970 A CB 0.115 19.112 19.000 -0.005 0.000 1.028 970 A HN 0.514 nan 8.150 nan 0.000 0.498 971 K N 1.737 122.139 120.400 0.004 0.000 2.032 971 K HA -0.105 4.215 4.320 -0.001 0.000 0.209 971 K C 0.160 176.767 176.600 0.011 0.000 1.048 971 K CA 1.757 58.048 56.287 0.007 0.000 0.927 971 K CB -0.102 32.400 32.500 0.003 0.000 0.712 971 K HN 0.656 nan 8.250 nan 0.000 0.441 972 T N 2.753 117.310 114.554 0.004 0.000 2.762 972 T HA 0.155 4.505 4.350 -0.001 0.000 0.303 972 T C -0.771 173.938 174.700 0.015 0.000 0.977 972 T CA -0.570 61.533 62.100 0.007 0.000 0.961 972 T CB 1.268 70.128 68.868 -0.014 0.000 0.944 972 T HN 0.128 nan 8.240 nan 0.000 0.481 973 Q N 2.885 122.714 119.800 0.048 0.000 2.373 973 Q HA 0.362 4.701 4.340 -0.001 0.000 0.255 973 Q C 0.151 176.198 176.000 0.078 0.000 0.980 973 Q CA 0.188 56.023 55.803 0.053 0.000 0.882 973 Q CB 1.196 29.969 28.738 0.058 0.000 1.249 973 Q HN 0.554 nan 8.270 nan 0.000 0.438 974 R N 0.291 120.801 120.500 0.017 0.000 2.628 974 R HA 0.662 5.001 4.340 -0.001 0.000 0.288 974 R C -1.091 175.152 176.300 -0.095 0.000 0.980 974 R CA -0.700 55.393 56.100 -0.012 0.000 0.891 974 R CB 1.862 32.121 30.300 -0.068 0.000 1.188 974 R HN 0.254 nan 8.270 nan 0.000 0.450 975 V N 1.553 121.397 119.914 -0.117 0.000 2.483 975 V HA 0.568 4.687 4.120 -0.001 0.000 0.297 975 V C 0.201 175.966 176.094 -0.549 0.000 1.027 975 V CA -0.829 61.263 62.300 -0.347 0.000 0.855 975 V CB 1.945 33.575 31.823 -0.322 0.000 0.995 975 V HN 0.952 nan 8.190 nan 0.000 0.424 976 G N 3.082 111.357 108.800 -0.875 0.000 2.389 976 G HA2 0.656 4.615 3.960 -0.001 0.000 0.317 976 G HA3 0.656 4.615 3.960 -0.001 0.000 0.317 976 G C -1.619 172.807 174.900 -0.791 0.000 1.137 976 G CA -0.294 44.105 45.100 -1.169 0.000 0.870 976 G HN 0.512 nan 8.290 nan 0.000 0.496 977 Y N 0.021 120.388 120.300 0.112 0.000 2.442 977 Y HA 0.467 5.016 4.550 -0.001 0.000 0.344 977 Y C -0.174 176.001 175.900 0.460 0.000 0.976 977 Y CA -0.889 57.378 58.100 0.278 0.000 1.040 977 Y CB 2.780 41.369 38.460 0.215 0.000 1.228 977 Y HN 0.342 nan 8.280 nan 0.000 0.451 978 V N 5.053 125.272 119.914 0.510 0.000 2.384 978 V HA 0.370 4.490 4.120 -0.001 0.000 0.287 978 V C -0.433 175.896 176.094 0.393 0.000 1.020 978 V CA -0.742 61.785 62.300 0.379 0.000 0.850 978 V CB 1.466 33.459 31.823 0.285 0.000 0.987 978 V HN 0.623 nan 8.190 nan 0.000 0.436 979 L N 4.749 126.192 121.223 0.366 0.000 2.296 979 L HA 0.559 4.898 4.340 -0.001 0.000 0.286 979 L C -0.781 176.293 176.870 0.341 0.000 1.023 979 L CA -0.566 54.482 54.840 0.347 0.000 0.812 979 L CB 1.418 43.686 42.059 0.348 0.000 1.223 979 L HN 0.743 nan 8.230 nan 0.000 0.421 980 H N 4.336 123.563 119.070 0.262 0.000 2.547 980 H HA 0.417 4.972 4.556 -0.001 0.000 0.342 980 H C -0.972 174.449 175.328 0.155 0.000 1.048 980 H CA -0.559 55.617 56.048 0.213 0.000 1.204 980 H CB 1.265 31.224 29.762 0.328 0.000 1.493 980 H HN 0.447 nan 8.280 nan 0.000 0.511 981 R N 4.426 124.593 120.500 -0.556 0.000 2.387 981 R HA 0.302 4.641 4.340 -0.001 0.000 0.314 981 R C -0.356 175.516 176.300 -0.712 0.000 0.958 981 R CA -0.494 55.342 56.100 -0.440 0.000 0.846 981 R CB 1.347 31.522 30.300 -0.209 0.000 1.147 981 R HN 0.754 nan 8.270 nan 0.000 0.447 982 T N 1.514 115.805 114.554 -0.438 0.000 2.771 982 T HA 0.154 4.503 4.350 -0.001 0.000 0.290 982 T C -0.479 174.041 174.700 -0.301 0.000 1.005 982 T CA -0.389 61.535 62.100 -0.294 0.000 0.944 982 T CB 0.559 69.322 68.868 -0.175 0.000 1.147 982 T HN 0.673 nan 8.240 nan 0.000 0.534 983 N N 0.729 119.273 118.700 -0.260 0.000 2.399 983 N HA 0.467 5.206 4.740 -0.001 0.000 0.284 983 N C -1.471 173.873 175.510 -0.277 0.000 1.025 983 N CA -0.484 52.357 53.050 -0.348 0.000 0.885 983 N CB 0.627 38.751 38.487 -0.605 0.000 1.339 983 N HN 0.456 nan 8.380 nan 0.000 0.487 984 L N 2.734 123.798 121.223 -0.265 0.000 2.325 984 L HA 0.536 4.876 4.340 -0.001 0.000 0.278 984 L C 0.555 177.304 176.870 -0.203 0.000 1.023 984 L CA -1.054 53.668 54.840 -0.198 0.000 0.811 984 L CB 1.491 43.449 42.059 -0.168 0.000 1.249 984 L HN 0.367 nan 8.230 nan 0.000 0.431 985 M N 2.411 121.911 119.600 -0.166 0.000 2.250 985 M HA 0.031 4.510 4.480 -0.001 0.000 0.337 985 M C -0.195 176.022 176.300 -0.138 0.000 1.161 985 M CA 0.296 55.503 55.300 -0.155 0.000 1.088 985 M CB 0.128 32.638 32.600 -0.150 0.000 1.639 985 M HN 0.490 nan 8.290 nan 0.000 0.447 986 Q N 2.507 122.230 119.800 -0.128 0.000 2.349 986 Q HA 0.218 4.558 4.340 -0.001 0.000 0.254 986 Q C -0.064 175.881 176.000 -0.091 0.000 0.980 986 Q CA 0.003 55.744 55.803 -0.104 0.000 0.924 986 Q CB 0.914 29.594 28.738 -0.096 0.000 1.209 986 Q HN 0.788 nan 8.270 nan 0.000 0.445 987 c N 0.603 119.152 118.600 -0.085 0.000 3.255 987 c HA 0.351 4.920 4.570 -0.001 0.000 0.282 987 c C 1.290 175.341 174.090 -0.065 0.000 1.441 987 c CA 0.016 56.298 56.329 -0.078 0.000 1.785 987 c CB -0.412 42.045 42.510 -0.087 0.000 2.583 987 c HN 1.036 nan 8.230 nan 0.000 0.615 988 G N 1.788 110.551 108.800 -0.062 0.000 2.137 988 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.237 988 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.237 988 G C -0.058 174.810 174.900 -0.053 0.000 1.002 988 G CA 0.382 45.450 45.100 -0.053 0.000 0.702 988 G HN 0.474 nan 8.290 nan 0.000 0.515 989 T N 1.580 116.099 114.554 -0.058 0.000 2.752 989 T HA 0.425 4.774 4.350 -0.001 0.000 0.295 989 T C -0.388 174.276 174.700 -0.060 0.000 0.923 989 T CA -0.387 61.678 62.100 -0.058 0.000 1.112 989 T CB 1.656 70.487 68.868 -0.061 0.000 0.884 989 T HN 0.059 nan 8.240 nan 0.000 0.525 990 P HA -0.116 nan 4.420 nan 0.000 0.216 990 P C 0.133 177.394 177.300 -0.065 0.000 1.150 990 P CA 0.562 63.628 63.100 -0.056 0.000 0.843 990 P CB -0.082 31.585 31.700 -0.055 0.000 0.787 991 E N 0.285 120.436 120.200 -0.082 0.000 1.023 991 E HA -0.225 4.125 4.350 -0.001 0.000 0.325 991 E C -0.052 176.500 176.600 -0.081 0.000 1.202 991 E CA 0.547 56.889 56.400 -0.097 0.000 1.194 991 E CB -0.490 29.164 29.700 -0.077 0.000 0.609 991 E HN 0.491 nan 8.360 nan 0.000 0.338 992 E N 1.147 121.278 120.200 -0.115 0.000 3.032 992 E HA 0.594 4.943 4.350 -0.001 0.000 0.229 992 E C 0.348 177.009 176.600 0.101 0.000 0.857 992 E CA -0.859 55.528 56.400 -0.023 0.000 1.257 992 E CB 0.801 30.502 29.700 0.002 0.000 1.676 992 E HN 0.502 nan 8.360 nan 0.000 0.480 993 H N -1.216 117.848 119.070 -0.011 0.000 3.110 993 H HA -0.034 4.521 4.556 -0.001 0.000 0.168 993 H C -0.832 174.499 175.328 0.005 0.000 1.071 993 H CA 0.190 56.236 56.048 -0.003 0.000 0.783 993 H CB -1.052 28.710 29.762 -0.000 0.000 1.819 993 H HN 0.959 nan 8.280 nan 0.000 0.274 994 T N 0.723 115.340 114.554 0.105 0.000 0.559 994 T HA 0.028 4.378 4.350 -0.001 0.000 0.772 994 T C -0.313 174.413 174.700 0.044 0.000 0.992 994 T CA 0.597 62.750 62.100 0.089 0.000 4.067 994 T CB -0.898 nan 68.868 nan 0.000 2.298 994 T HN 0.608 nan 8.240 nan 0.000 0.397 995 Q N 1.789 121.621 119.800 0.052 0.000 2.293 995 Q HA 0.530 4.870 4.340 -0.001 0.000 0.251 995 Q C 0.463 176.482 176.000 0.031 0.000 0.930 995 Q CA -0.718 55.105 55.803 0.034 0.000 0.893 995 Q CB 1.409 30.173 28.738 0.044 0.000 1.215 995 Q HN 0.706 nan 8.270 nan 0.000 0.425 996 K N 1.733 122.139 120.400 0.011 0.000 2.448 996 K HA 0.031 4.351 4.320 -0.001 0.000 0.278 996 K C -0.856 175.745 176.600 0.001 0.000 1.009 996 K CA -0.291 55.998 56.287 0.002 0.000 0.995 996 K CB 0.377 32.869 32.500 -0.014 0.000 0.917 996 K HN 0.379 nan 8.250 nan 0.000 0.481 997 L N 4.803 126.025 121.223 -0.002 0.000 2.257 997 L HA 0.216 4.556 4.340 -0.001 0.000 0.290 997 L C -1.003 175.827 176.870 -0.066 0.000 1.044 997 L CA 0.022 54.850 54.840 -0.020 0.000 0.810 997 L CB 0.971 43.030 42.059 -0.000 0.000 1.193 997 L HN 0.543 nan 8.230 nan 0.000 0.425 998 D N 3.456 123.810 120.400 -0.076 0.000 2.472 998 D HA 0.154 4.794 4.640 -0.001 0.000 0.234 998 D C 1.110 177.311 176.300 -0.166 0.000 1.088 998 D CA -0.287 53.647 54.000 -0.110 0.000 0.882 998 D CB 1.161 41.951 40.800 -0.017 0.000 1.037 998 D HN 0.360 nan 8.370 nan 0.000 0.520 999 V N 1.447 121.165 119.914 -0.327 0.000 2.594 999 V HA -0.208 3.912 4.120 -0.001 0.000 0.253 999 V C 2.177 177.970 176.094 -0.502 0.000 1.069 999 V CA 1.166 63.096 62.300 -0.616 0.000 1.082 999 V CB -1.121 30.078 31.823 -1.041 0.000 0.680 999 V HN 0.613 nan 8.190 nan 0.000 0.469 1000 c N 0.618 119.053 118.600 -0.274 0.000 2.419 1000 c HA -0.050 4.520 4.570 -0.001 0.000 0.283 1000 c C 2.177 176.140 174.090 -0.213 0.000 1.373 1000 c CA 1.449 57.677 56.329 -0.168 0.000 1.781 1000 c CB -1.748 40.651 42.510 -0.185 0.000 1.886 1000 c HN 0.773 nan 8.230 nan 0.000 0.520 1001 H N -0.826 118.225 119.070 -0.031 0.000 2.505 1001 H HA 0.259 4.815 4.556 -0.001 0.000 0.289 1001 H C 1.687 177.043 175.328 0.046 0.000 1.052 1001 H CA -0.056 56.009 56.048 0.029 0.000 1.156 1001 H CB -0.003 29.761 29.762 0.002 0.000 1.507 1001 H HN 0.356 nan 8.280 nan 0.000 0.548 1002 L N -0.138 121.134 121.223 0.081 0.000 2.141 1002 L HA -0.042 4.298 4.340 -0.001 0.000 0.209 1002 L C 0.190 177.193 176.870 0.221 0.000 1.094 1002 L CA 1.001 55.919 54.840 0.130 0.000 0.763 1002 L CB 0.085 42.187 42.059 0.070 0.000 0.908 1002 L HN 0.223 nan 8.230 nan 0.000 0.437 1003 L N -0.390 120.924 121.223 0.151 0.000 2.334 1003 L HA 0.418 4.757 4.340 -0.001 0.000 0.273 1003 L C -2.105 174.809 176.870 0.073 0.000 1.013 1003 L CA -1.955 52.911 54.840 0.043 0.000 0.816 1003 L CB 1.717 43.591 42.059 -0.308 0.000 1.278 1003 L HN -0.202 nan 8.230 nan 0.000 0.431 1004 P HA 0.169 nan 4.420 nan 0.000 0.279 1004 P C -0.849 176.567 177.300 0.194 0.000 1.282 1004 P CA -0.311 62.863 63.100 0.123 0.000 0.788 1004 P CB 0.462 32.212 31.700 0.082 0.000 1.139 1005 N N -3.336 115.458 118.700 0.157 0.000 2.735 1005 N HA -0.154 4.586 4.740 -0.001 0.000 0.248 1005 N C 0.103 175.706 175.510 0.155 0.000 1.083 1005 N CA 0.113 53.249 53.050 0.143 0.000 0.703 1005 N CB -1.929 36.628 38.487 0.117 0.000 1.005 1005 N HN 0.241 nan 8.380 nan 0.000 0.550 1006 V N -0.100 119.875 119.914 0.103 0.000 2.655 1006 V HA 0.386 4.505 4.120 -0.001 0.000 0.300 1006 V C 1.129 177.140 176.094 -0.138 0.000 1.044 1006 V CA 1.187 63.378 62.300 -0.180 0.000 1.095 1006 V CB 1.305 32.938 31.823 -0.317 0.000 0.952 1006 V HN 0.402 nan 8.190 nan 0.000 0.485 1007 A N 6.794 129.502 122.820 -0.188 0.000 2.312 1007 A HA 0.514 4.833 4.320 -0.001 0.000 0.215 1007 A C 0.854 178.402 177.584 -0.059 0.000 1.256 1007 A CA -0.064 51.921 52.037 -0.086 0.000 0.966 1007 A CB 0.309 19.269 19.000 -0.066 0.000 1.053 1007 A HN 0.763 nan 8.150 nan 0.000 0.510 1008 R N -1.725 118.709 120.500 -0.108 0.000 2.664 1008 R HA 0.497 4.837 4.340 -0.001 0.000 0.266 1008 R C -2.314 173.955 176.300 -0.053 0.000 1.046 1008 R CA -0.272 55.821 56.100 -0.012 0.000 0.885 1008 R CB 1.634 31.923 30.300 -0.019 0.000 1.254 1008 R HN 0.333 nan 8.270 nan 0.000 0.465 1009 c N 2.563 121.192 118.600 0.048 0.000 2.516 1009 c HA 0.581 5.150 4.570 -0.001 0.000 0.338 1009 c C -1.282 172.903 174.090 0.159 0.000 1.132 1009 c CA -0.246 56.113 56.329 0.050 0.000 1.310 1009 c CB 1.109 43.610 42.510 -0.015 0.000 1.898 1009 c HN 0.909 nan 8.230 nan 0.000 0.452 1010 E N 3.182 123.491 120.200 0.182 0.000 2.238 1010 E HA 0.461 4.810 4.350 -0.001 0.000 0.267 1010 E C -0.845 175.927 176.600 0.286 0.000 0.887 1010 E CA -0.610 55.915 56.400 0.208 0.000 0.769 1010 E CB 1.912 31.689 29.700 0.129 0.000 1.187 1010 E HN 0.648 nan 8.360 nan 0.000 0.416 1011 R N 1.494 122.146 120.500 0.253 0.000 2.357 1011 R HA 0.347 4.686 4.340 -0.001 0.000 0.296 1011 R C -0.522 175.805 176.300 0.045 0.000 1.052 1011 R CA 0.086 56.251 56.100 0.109 0.000 0.988 1011 R CB 0.699 31.043 30.300 0.073 0.000 1.025 1011 R HN 0.710 nan 8.270 nan 0.000 0.469 1012 T N -0.458 114.094 114.554 -0.003 0.000 2.864 1012 T HA 0.344 4.694 4.350 -0.001 0.000 0.289 1012 T C 0.065 174.756 174.700 -0.014 0.000 1.082 1012 T CA -0.779 61.348 62.100 0.044 0.000 1.009 1012 T CB 1.321 70.283 68.868 0.157 0.000 1.234 1012 T HN 0.625 nan 8.240 nan 0.000 0.526 1013 T N 0.066 114.616 114.554 -0.007 0.000 2.795 1013 T HA 0.220 4.569 4.350 -0.001 0.000 0.314 1013 T C 1.555 176.194 174.700 -0.103 0.000 1.069 1013 T CA -0.677 61.397 62.100 -0.042 0.000 1.071 1013 T CB -0.068 68.790 68.868 -0.018 0.000 0.988 1013 T HN 0.565 nan 8.240 nan 0.000 0.543 1014 L N 1.072 122.214 121.223 -0.135 0.000 2.362 1014 L HA -0.017 4.322 4.340 -0.001 0.000 0.219 1014 L C 2.832 179.423 176.870 -0.465 0.000 1.134 1014 L CA 1.301 55.994 54.840 -0.244 0.000 0.807 1014 L CB -0.966 41.028 42.059 -0.109 0.000 0.927 1014 L HN 0.989 nan 8.230 nan 0.000 0.447 1015 T N -4.846 109.532 114.554 -0.293 0.000 3.129 1015 T HA -0.011 4.339 4.350 -0.001 0.000 0.251 1015 T C 0.757 175.337 174.700 -0.199 0.000 1.117 1015 T CA -0.208 61.738 62.100 -0.257 0.000 1.034 1015 T CB -0.166 68.683 68.868 -0.031 0.000 0.968 1015 T HN 0.203 nan 8.240 nan 0.000 0.526 1016 F N -0.817 119.146 119.950 0.021 0.000 2.914 1016 F HA -0.191 4.335 4.527 -0.001 0.000 0.304 1016 F C 1.000 176.799 175.800 -0.001 0.000 0.712 1016 F CA -0.078 57.926 58.000 0.006 0.000 1.211 1016 F CB -2.336 36.663 39.000 -0.003 0.000 1.515 1016 F HN 0.261 nan 8.300 nan 0.000 0.350 1017 L N -0.997 120.300 121.223 0.125 0.000 2.529 1017 L HA 0.127 4.467 4.340 -0.001 0.000 0.223 1017 L C 1.043 177.936 176.870 0.038 0.000 1.113 1017 L CA 0.784 55.667 54.840 0.071 0.000 0.861 1017 L CB 0.229 42.316 42.059 0.045 0.000 1.012 1017 L HN 0.341 nan 8.230 nan 0.000 0.461 1018 Q N 0.663 120.486 119.800 0.038 0.000 2.305 1018 Q HA 0.274 4.613 4.340 -0.001 0.000 0.271 1018 Q C -1.237 174.779 176.000 0.028 0.000 1.046 1018 Q CA -0.697 55.116 55.803 0.017 0.000 0.798 1018 Q CB 1.931 30.665 28.738 -0.006 0.000 1.286 1018 Q HN 0.108 nan 8.270 nan 0.000 0.435 1019 N N 4.636 123.350 118.700 0.023 0.000 2.497 1019 N HA 0.173 4.913 4.740 -0.001 0.000 0.271 1019 N C 0.308 175.834 175.510 0.027 0.000 1.142 1019 N CA 0.213 53.283 53.050 0.033 0.000 0.965 1019 N CB 1.140 39.641 38.487 0.024 0.000 1.077 1019 N HN 0.644 nan 8.380 nan 0.000 0.462 1020 L N 0.384 121.628 121.223 0.035 0.000 2.537 1020 L HA 0.283 4.622 4.340 -0.001 0.000 0.224 1020 L C 0.610 177.508 176.870 0.046 0.000 1.065 1020 L CA 0.377 55.233 54.840 0.026 0.000 0.860 1020 L CB 0.331 42.395 42.059 0.008 0.000 1.086 1020 L HN 0.550 nan 8.230 nan 0.000 0.482 1021 E N -0.308 119.939 120.200 0.078 0.000 2.347 1021 E HA 0.123 4.473 4.350 -0.001 0.000 0.285 1021 E C -1.310 175.390 176.600 0.167 0.000 0.925 1021 E CA -0.562 55.901 56.400 0.105 0.000 0.779 1021 E CB 1.443 31.198 29.700 0.092 0.000 1.233 1021 E HN 0.115 nan 8.360 nan 0.000 0.414 1022 H N 5.970 125.064 119.070 0.041 0.000 2.604 1022 H HA 0.331 4.886 4.556 -0.001 0.000 0.306 1022 H C -0.826 174.526 175.328 0.041 0.000 1.075 1022 H CA -0.563 55.507 56.048 0.037 0.000 1.357 1022 H CB 0.714 30.488 29.762 0.020 0.000 1.426 1022 H HN 0.382 nan 8.280 nan 0.000 0.470 1023 L N 5.309 126.529 121.223 -0.005 0.000 2.289 1023 L HA 0.113 4.453 4.340 -0.001 0.000 0.285 1023 L C 0.122 176.897 176.870 -0.158 0.000 1.049 1023 L CA -0.892 53.917 54.840 -0.051 0.000 0.804 1023 L CB 1.229 43.311 42.059 0.038 0.000 1.195 1023 L HN 0.684 nan 8.230 nan 0.000 0.428 1024 D N 2.738 123.061 120.400 -0.128 0.000 2.493 1024 D HA 0.095 4.735 4.640 -0.001 0.000 0.240 1024 D C 1.180 177.445 176.300 -0.059 0.000 1.142 1024 D CA 1.315 55.248 54.000 -0.112 0.000 0.872 1024 D CB 1.092 41.851 40.800 -0.068 0.000 1.173 1024 D HN 0.843 nan 8.370 nan 0.000 0.467 1025 G N 3.110 111.883 108.800 -0.046 0.000 2.180 1025 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.263 1025 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.263 1025 G C 0.749 175.694 174.900 0.074 0.000 0.989 1025 G CA 0.503 45.609 45.100 0.011 0.000 0.692 1025 G HN 0.667 nan 8.290 nan 0.000 0.526 1026 M N -2.739 116.873 119.600 0.019 0.000 2.302 1026 M HA -0.188 4.291 4.480 -0.001 0.000 0.200 1026 M C 0.040 176.371 176.300 0.051 0.000 0.366 1026 M CA 0.834 56.138 55.300 0.008 0.000 0.440 1026 M CB -1.947 30.625 32.600 -0.046 0.000 1.475 1026 M HN 0.200 nan 8.290 nan 0.000 0.905 1027 V N 0.831 120.770 119.914 0.042 0.000 2.370 1027 V HA 0.723 4.842 4.120 -0.001 0.000 0.283 1027 V C 0.669 176.701 176.094 -0.105 0.000 1.023 1027 V CA -0.399 61.915 62.300 0.024 0.000 0.857 1027 V CB 1.782 33.610 31.823 0.010 0.000 0.985 1027 V HN 0.436 nan 8.190 nan 0.000 0.443 1028 A N 8.050 130.723 122.820 -0.245 0.000 2.310 1028 A HA 0.711 5.030 4.320 -0.001 0.000 0.300 1028 A C -2.311 175.023 177.584 -0.417 0.000 1.269 1028 A CA -1.298 50.375 52.037 -0.608 0.000 0.909 1028 A CB -0.074 18.235 19.000 -1.152 0.000 1.144 1028 A HN 0.636 nan 8.150 nan 0.000 0.540 1029 P HA 0.177 nan 4.420 nan 0.000 0.271 1029 P C -0.071 177.215 177.300 -0.023 0.000 1.233 1029 P CA -0.159 62.901 63.100 -0.066 0.000 0.789 1029 P CB 0.551 32.271 31.700 0.034 0.000 0.951 1030 E N -0.512 119.695 120.200 0.011 0.000 2.342 1030 E HA 0.322 4.671 4.350 -0.001 0.000 0.257 1030 E C -0.072 176.581 176.600 0.090 0.000 1.150 1030 E CA -0.954 55.479 56.400 0.055 0.000 0.926 1030 E CB 0.547 30.263 29.700 0.026 0.000 1.074 1030 E HN 0.280 nan 8.360 nan 0.000 0.449 1031 V N -1.852 118.116 119.914 0.090 0.000 3.096 1031 V HA 0.427 4.546 4.120 -0.001 0.000 0.319 1031 V C 0.048 176.149 176.094 0.012 0.000 1.082 1031 V CA -1.061 61.282 62.300 0.072 0.000 1.022 1031 V CB 1.319 33.191 31.823 0.083 0.000 1.103 1031 V HN 0.748 nan 8.190 nan 0.000 0.455 1032 c N 1.956 120.557 118.600 0.001 0.000 2.500 1032 c HA 0.497 5.066 4.570 -0.001 0.000 0.367 1032 c C -2.153 171.883 174.090 -0.089 0.000 1.283 1032 c CA -0.448 55.862 56.329 -0.030 0.000 2.456 1032 c CB 0.266 42.774 42.510 -0.003 0.000 2.457 1032 c HN 0.812 nan 8.230 nan 0.000 0.632 1033 P HA 0.053 nan 4.420 nan 0.000 0.265 1033 P C 0.206 177.349 177.300 -0.262 0.000 1.193 1033 P CA 0.949 63.913 63.100 -0.227 0.000 0.765 1033 P CB 0.177 31.722 31.700 -0.258 0.000 0.823 1034 M N -1.026 118.368 119.600 -0.344 0.000 2.908 1034 M HA -0.180 4.300 4.480 -0.001 0.000 0.191 1034 M C -0.195 176.107 176.300 0.003 0.000 0.619 1034 M CA 1.337 56.424 55.300 -0.355 0.000 0.709 1034 M CB -2.106 29.964 32.600 -0.883 0.000 2.554 1034 M HN 0.416 nan 8.290 nan 0.000 0.356 1035 E N 0.386 120.583 120.200 -0.006 0.000 2.212 1035 E HA 0.712 5.061 4.350 -0.001 0.000 0.270 1035 E C 0.041 176.716 176.600 0.125 0.000 0.956 1035 E CA -0.108 56.369 56.400 0.129 0.000 0.825 1035 E CB 1.513 31.255 29.700 0.069 0.000 1.167 1035 E HN 0.147 nan 8.360 nan 0.000 0.400 1036 T N 0.612 115.262 114.554 0.161 0.000 2.881 1036 T HA 0.706 5.055 4.350 -0.001 0.000 0.290 1036 T C -0.779 173.943 174.700 0.037 0.000 1.000 1036 T CA -0.676 61.523 62.100 0.166 0.000 0.978 1036 T CB 1.605 70.582 68.868 0.181 0.000 0.997 1036 T HN 0.503 nan 8.240 nan 0.000 0.443 1037 A N 1.900 124.744 122.820 0.040 0.000 2.469 1037 A HA 0.996 5.316 4.320 -0.001 0.000 0.299 1037 A C -0.995 176.499 177.584 -0.149 0.000 1.098 1037 A CA -0.962 50.999 52.037 -0.126 0.000 0.737 1037 A CB 1.526 20.411 19.000 -0.192 0.000 1.312 1037 A HN 1.118 nan 8.150 nan 0.000 0.414 1038 A N 0.295 122.938 122.820 -0.296 0.000 2.365 1038 A HA 0.817 5.136 4.320 -0.001 0.000 0.318 1038 A C -1.597 175.803 177.584 -0.307 0.000 1.091 1038 A CA -0.352 51.627 52.037 -0.096 0.000 0.763 1038 A CB 0.747 19.736 19.000 -0.018 0.000 1.248 1038 A HN 0.844 nan 8.150 nan 0.000 0.442 1039 Y N 0.180 120.695 120.300 0.358 0.000 2.512 1039 Y HA 0.579 5.128 4.550 -0.001 0.000 0.348 1039 Y C -0.229 175.824 175.900 0.256 0.000 0.990 1039 Y CA -0.910 57.351 58.100 0.268 0.000 1.033 1039 Y CB 2.473 41.060 38.460 0.212 0.000 1.259 1039 Y HN 0.408 nan 8.280 nan 0.000 0.461 1040 V N 2.497 122.591 119.914 0.301 0.000 2.487 1040 V HA 0.483 4.603 4.120 -0.001 0.000 0.298 1040 V C -0.602 175.562 176.094 0.116 0.000 1.028 1040 V CA -0.898 61.468 62.300 0.109 0.000 0.860 1040 V CB 1.797 33.620 31.823 0.001 0.000 0.991 1040 V HN 0.838 nan 8.190 nan 0.000 0.427 1041 S N 3.679 119.453 115.700 0.124 0.000 2.508 1041 S HA 0.728 5.197 4.470 -0.001 0.000 0.284 1041 S C -0.237 174.282 174.600 -0.136 0.000 1.192 1041 S CA -0.554 57.659 58.200 0.022 0.000 1.070 1041 S CB 1.589 64.903 63.200 0.190 0.000 1.004 1041 S HN 0.567 nan 8.310 nan 0.000 0.493 1042 S N 2.344 117.832 115.700 -0.354 0.000 2.503 1042 S HA 0.559 5.028 4.470 -0.001 0.000 0.301 1042 S C -1.023 173.229 174.600 -0.581 0.000 1.087 1042 S CA -0.780 57.245 58.200 -0.292 0.000 1.042 1042 S CB 0.645 63.756 63.200 -0.148 0.000 1.043 1042 S HN 0.806 nan 8.310 nan 0.000 0.489 1043 H N 0.887 119.943 119.070 -0.024 0.000 2.782 1043 H HA 0.316 4.872 4.556 -0.001 0.000 0.347 1043 H C -0.690 174.632 175.328 -0.011 0.000 1.038 1043 H CA -0.647 55.391 56.048 -0.016 0.000 1.255 1043 H CB 1.652 31.406 29.762 -0.013 0.000 1.623 1043 H HN 0.649 nan 8.280 nan 0.000 0.525 1044 S N 2.205 117.949 115.700 0.073 0.000 2.548 1044 S HA 0.406 4.876 4.470 -0.001 0.000 0.277 1044 S C 0.658 175.295 174.600 0.062 0.000 1.315 1044 S CA -0.626 57.604 58.200 0.049 0.000 1.050 1044 S CB 1.275 64.492 63.200 0.029 0.000 0.918 1044 S HN 0.714 nan 8.310 nan 0.000 0.497 1045 S N 0.000 115.726 115.700 0.044 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 0.035 0.000 1.107 1045 S CB 0.000 63.220 63.200 0.034 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517