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 3ejp_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 0.000 176.009 176.000 0.014 0.000 1.003 30 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 30 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 31 c N 3.004 121.608 118.600 0.007 0.000 2.637 31 c HA 0.536 5.105 4.570 -0.001 0.000 0.418 31 c C 0.726 174.828 174.090 0.020 0.000 1.319 31 c CA -0.324 56.011 56.329 0.010 0.000 1.949 31 c CB 0.115 42.618 42.510 -0.012 0.000 2.639 31 c HN 0.687 nan 8.230 nan 0.000 0.594 32 Q N 1.747 121.575 119.800 0.047 0.000 2.361 32 Q HA 0.023 4.362 4.340 -0.001 0.000 0.276 32 Q C 0.016 176.046 176.000 0.051 0.000 1.022 32 Q CA 0.479 56.326 55.803 0.072 0.000 0.898 32 Q CB 0.494 29.314 28.738 0.136 0.000 1.246 32 Q HN 0.630 nan 8.270 nan 0.000 0.410 33 D N 1.945 122.376 120.400 0.053 0.000 2.336 33 D HA 0.052 4.692 4.640 -0.001 0.000 0.249 33 D C 0.571 176.918 176.300 0.078 0.000 1.213 33 D CA -0.205 53.809 54.000 0.024 0.000 0.870 33 D CB 1.148 41.961 40.800 0.022 0.000 1.076 33 D HN 0.384 nan 8.370 nan 0.000 0.483 34 V N 2.263 122.178 119.914 0.002 0.000 3.649 34 V HA 0.059 4.179 4.120 -0.001 0.000 0.275 34 V C 1.158 177.301 176.094 0.081 0.000 1.281 34 V CA 0.216 62.573 62.300 0.096 0.000 1.143 34 V CB 0.144 31.853 31.823 -0.190 0.000 0.892 34 V HN 0.382 nan 8.190 nan 0.000 0.441 35 V N -0.056 119.822 119.914 -0.060 0.000 2.908 35 V HA 0.107 4.226 4.120 -0.001 0.000 0.240 35 V C 2.267 178.340 176.094 -0.035 0.000 1.117 35 V CA 1.220 63.438 62.300 -0.136 0.000 1.133 35 V CB 0.030 31.725 31.823 -0.213 0.000 0.857 35 V HN 0.484 nan 8.190 nan 0.000 0.478 36 Q N -0.405 119.424 119.800 0.048 0.000 2.319 36 Q HA 0.142 4.481 4.340 -0.001 0.000 0.209 36 Q C -0.513 175.568 176.000 0.135 0.000 0.884 36 Q CA 0.209 56.057 55.803 0.075 0.000 0.938 36 Q CB 0.718 29.473 28.738 0.030 0.000 1.098 36 Q HN 0.482 nan 8.270 nan 0.000 0.517 37 D N 1.241 121.754 120.400 0.189 0.000 2.461 37 D HA 0.169 4.809 4.640 -0.001 0.000 0.240 37 D C -0.734 175.682 176.300 0.193 0.000 1.094 37 D CA -0.234 53.863 54.000 0.162 0.000 0.868 37 D CB 2.011 42.884 40.800 0.122 0.000 1.062 37 D HN -0.162 nan 8.370 nan 0.000 0.530 38 V N 4.387 124.386 119.914 0.142 0.000 2.446 38 V HA 0.124 4.244 4.120 -0.001 0.000 0.276 38 V C -1.806 174.272 176.094 -0.027 0.000 1.030 38 V CA -1.085 61.224 62.300 0.014 0.000 1.033 38 V CB 0.321 32.158 31.823 0.023 0.000 0.993 38 V HN 0.302 nan 8.190 nan 0.000 0.477 39 P HA 0.095 nan 4.420 nan 0.000 0.268 39 P C -0.429 176.843 177.300 -0.045 0.000 1.205 39 P CA -0.196 62.875 63.100 -0.049 0.000 0.771 39 P CB 0.347 31.998 31.700 -0.081 0.000 0.858 40 N N 2.650 121.338 118.700 -0.020 0.000 2.462 40 N HA 0.319 5.059 4.740 -0.001 0.000 0.242 40 N C -1.069 174.433 175.510 -0.014 0.000 1.010 40 N CA -0.433 52.608 53.050 -0.015 0.000 0.939 40 N CB 0.044 38.530 38.487 -0.001 0.000 1.127 40 N HN 0.131 nan 8.380 nan 0.000 0.509 41 V N 0.473 120.371 119.914 -0.026 0.000 2.914 41 V HA 0.534 4.653 4.120 -0.001 0.000 0.314 41 V C 0.594 176.673 176.094 -0.025 0.000 1.084 41 V CA -0.753 61.534 62.300 -0.022 0.000 0.963 41 V CB 2.059 33.858 31.823 -0.040 0.000 1.025 41 V HN 0.390 nan 8.190 nan 0.000 0.432 42 D N 1.118 121.511 120.400 -0.013 0.000 2.144 42 D HA 0.014 4.653 4.640 -0.001 0.000 0.200 42 D C 0.509 176.778 176.300 -0.051 0.000 0.978 42 D CA 1.600 55.589 54.000 -0.018 0.000 0.833 42 D CB 0.460 41.266 40.800 0.009 0.000 0.961 42 D HN 0.431 nan 8.370 nan 0.000 0.470 43 V N 1.525 121.387 119.914 -0.087 0.000 2.483 43 V HA 0.210 4.329 4.120 -0.001 0.000 0.297 43 V C -0.336 175.661 176.094 -0.161 0.000 1.027 43 V CA -0.747 61.470 62.300 -0.138 0.000 0.855 43 V CB 2.379 34.075 31.823 -0.212 0.000 0.995 43 V HN -0.081 nan 8.190 nan 0.000 0.424 44 Q N 4.544 124.262 119.800 -0.138 0.000 2.341 44 Q HA 0.439 4.779 4.340 -0.001 0.000 0.268 44 Q C 0.412 176.315 176.000 -0.163 0.000 1.013 44 Q CA -0.685 55.029 55.803 -0.148 0.000 0.798 44 Q CB 1.897 30.569 28.738 -0.109 0.000 1.253 44 Q HN 0.672 nan 8.270 nan 0.000 0.457 45 M N 3.024 122.480 119.600 -0.239 0.000 2.213 45 M HA -0.155 4.325 4.480 -0.001 0.000 0.263 45 M C 1.614 177.809 176.300 -0.176 0.000 1.062 45 M CA 0.949 56.091 55.300 -0.263 0.000 1.105 45 M CB -0.781 31.528 32.600 -0.486 0.000 1.385 45 M HN 0.567 nan 8.290 nan 0.000 0.417 46 L N 0.686 121.803 121.223 -0.177 0.000 2.056 46 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 46 L C 2.486 179.350 176.870 -0.009 0.000 1.078 46 L CA 1.809 56.579 54.840 -0.116 0.000 0.749 46 L CB -0.636 41.330 42.059 -0.156 0.000 0.901 46 L HN 0.262 nan 8.230 nan 0.000 0.433 47 E N -0.395 119.786 120.200 -0.032 0.000 2.072 47 E HA -0.225 4.125 4.350 -0.001 0.000 0.191 47 E C 2.199 178.811 176.600 0.021 0.000 0.985 47 E CA 1.395 57.789 56.400 -0.009 0.000 0.801 47 E CB -0.291 29.388 29.700 -0.034 0.000 0.750 47 E HN 0.440 nan 8.360 nan 0.000 0.452 48 L N 0.496 121.730 121.223 0.018 0.000 2.017 48 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 48 L C 2.290 179.227 176.870 0.112 0.000 1.073 48 L CA 1.670 56.528 54.840 0.029 0.000 0.745 48 L CB -0.988 41.074 42.059 0.005 0.000 0.894 48 L HN 0.122 nan 8.230 nan 0.000 0.432 49 Y N -0.011 120.290 120.300 0.002 0.000 2.207 49 Y HA -0.274 4.276 4.550 -0.001 0.000 0.287 49 Y C 2.565 178.558 175.900 0.156 0.000 1.156 49 Y CA 1.843 60.032 58.100 0.148 0.000 1.182 49 Y CB -0.625 37.923 38.460 0.146 0.000 0.979 49 Y HN 0.367 nan 8.280 nan 0.000 0.521 50 D N -0.601 119.910 120.400 0.186 0.000 2.144 50 D HA -0.117 4.523 4.640 -0.001 0.000 0.200 50 D C 2.068 178.408 176.300 0.067 0.000 0.978 50 D CA 1.242 55.305 54.000 0.105 0.000 0.833 50 D CB 0.053 40.889 40.800 0.060 0.000 0.961 50 D HN 0.247 nan 8.370 nan 0.000 0.470 51 R N -1.057 119.465 120.500 0.037 0.000 2.112 51 R HA 0.188 4.528 4.340 -0.001 0.000 0.216 51 R C 0.911 177.191 176.300 -0.034 0.000 1.080 51 R CA 0.115 56.212 56.100 -0.004 0.000 0.996 51 R CB 0.075 30.358 30.300 -0.028 0.000 0.902 51 R HN 0.204 nan 8.270 nan 0.000 0.449 52 M N 0.770 120.317 119.600 -0.088 0.000 2.248 52 M HA -0.034 4.446 4.480 -0.001 0.000 0.337 52 M C 1.200 177.456 176.300 -0.073 0.000 1.121 52 M CA 0.392 55.549 55.300 -0.237 0.000 1.155 52 M CB 1.326 33.520 32.600 -0.678 0.000 1.514 52 M HN 0.109 nan 8.290 nan 0.000 0.452 53 S N 0.817 116.461 115.700 -0.092 0.000 2.503 53 S HA 0.116 4.586 4.470 -0.001 0.000 0.215 53 S C 0.554 175.275 174.600 0.200 0.000 1.003 53 S CA -0.309 57.933 58.200 0.069 0.000 0.910 53 S CB -0.133 63.078 63.200 0.018 0.000 0.790 53 S HN 0.753 nan 8.310 nan 0.000 0.514 54 F N 1.018 120.898 119.950 -0.117 0.000 3.093 54 F HA -0.149 4.378 4.527 -0.000 0.000 0.287 54 F C 0.163 175.974 175.800 0.018 0.000 0.882 54 F CA 0.274 58.210 58.000 -0.106 0.000 1.063 54 F CB -1.931 36.978 39.000 -0.150 0.000 1.097 54 F HN 0.099 nan 8.300 nan 0.000 0.604 55 K N 1.106 121.586 120.400 0.134 0.000 2.350 55 K HA 0.151 4.471 4.320 -0.001 0.000 0.279 55 K C 0.319 177.029 176.600 0.184 0.000 1.027 55 K CA -0.112 56.257 56.287 0.136 0.000 0.969 55 K CB 0.588 33.130 32.500 0.070 0.000 0.954 55 K HN 0.096 nan 8.250 nan 0.000 0.474 56 D N 3.584 124.104 120.400 0.200 0.000 2.638 56 D HA 0.145 4.784 4.640 -0.001 0.000 0.245 56 D C -0.192 176.155 176.300 0.079 0.000 1.176 56 D CA -0.464 53.661 54.000 0.208 0.000 0.996 56 D CB -0.486 40.446 40.800 0.219 0.000 1.012 56 D HN 0.520 nan 8.370 nan 0.000 0.515 57 I N -1.096 119.507 120.570 0.056 0.000 2.566 57 I HA 0.449 4.619 4.170 -0.001 0.000 0.303 57 I C -0.063 176.045 176.117 -0.014 0.000 0.983 57 I CA -0.805 60.505 61.300 0.017 0.000 1.235 57 I CB 1.490 39.500 38.000 0.017 0.000 1.386 57 I HN -0.120 nan 8.210 nan 0.000 0.494 58 D N 4.469 124.859 120.400 -0.016 0.000 2.363 58 D HA 0.145 4.785 4.640 -0.001 0.000 0.263 58 D C 0.968 177.256 176.300 -0.021 0.000 1.258 58 D CA 0.191 54.176 54.000 -0.025 0.000 0.907 58 D CB 1.425 42.218 40.800 -0.013 0.000 1.107 58 D HN 0.815 nan 8.370 nan 0.000 0.495 59 G N 2.450 111.221 108.800 -0.049 0.000 2.985 59 G HA2 0.406 4.366 3.960 -0.001 0.000 0.209 59 G HA3 0.406 4.366 3.960 -0.001 0.000 0.209 59 G C 0.899 175.801 174.900 0.005 0.000 1.165 59 G CA 0.414 45.486 45.100 -0.046 0.000 0.776 59 G HN 0.912 nan 8.290 nan 0.000 0.541 60 G N -0.629 108.178 108.800 0.012 0.000 2.445 60 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.212 60 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.212 60 G C 1.187 176.110 174.900 0.038 0.000 1.217 60 G CA 0.709 45.828 45.100 0.032 0.000 1.002 60 G HN 1.111 nan 8.290 nan 0.000 0.574 61 V N -3.536 116.399 119.914 0.034 0.000 2.392 61 V HA 0.037 4.157 4.120 -0.001 0.000 0.249 61 V C 1.493 177.614 176.094 0.045 0.000 1.059 61 V CA 2.484 64.786 62.300 0.004 0.000 1.051 61 V CB -0.623 31.168 31.823 -0.054 0.000 0.658 61 V HN 1.489 nan 8.190 nan 0.000 0.455 62 W N 2.559 123.766 121.300 -0.155 0.000 2.365 62 W HA 0.423 5.082 4.660 -0.001 0.000 0.371 62 W C 1.185 177.666 176.519 -0.063 0.000 1.006 62 W CA -1.725 55.520 57.345 -0.166 0.000 1.528 62 W CB 0.171 29.497 29.460 -0.224 0.000 1.497 62 W HN 0.054 nan 8.180 nan 0.000 0.367 63 K N 2.624 123.116 120.400 0.153 0.000 2.147 63 K HA -0.175 4.145 4.320 -0.001 0.000 0.205 63 K C 0.820 177.344 176.600 -0.127 0.000 1.049 63 K CA 1.446 57.731 56.287 -0.005 0.000 0.936 63 K CB 0.186 32.682 32.500 -0.007 0.000 0.722 63 K HN 0.565 nan 8.250 nan 0.000 0.446 64 Q N -0.913 118.765 119.800 -0.204 0.000 2.172 64 Q HA 0.156 4.495 4.340 -0.001 0.000 0.217 64 Q C 0.736 176.380 176.000 -0.595 0.000 0.832 64 Q CA -0.357 55.305 55.803 -0.235 0.000 1.010 64 Q CB 1.382 30.117 28.738 -0.004 0.000 1.133 64 Q HN 0.207 nan 8.270 nan 0.000 0.489 65 G N 0.557 108.588 108.800 -1.283 0.000 3.392 65 G HA2 0.529 4.488 3.960 -0.001 0.000 0.185 65 G HA3 0.529 4.488 3.960 -0.001 0.000 0.185 65 G C -1.442 173.148 174.900 -0.518 0.000 1.206 65 G CA -0.341 43.700 45.100 -1.765 0.000 0.776 65 G HN 0.347 nan 8.290 nan 0.000 0.697 66 W N -1.432 119.585 121.300 -0.471 0.000 2.988 66 W HA 0.640 5.300 4.660 -0.000 0.000 0.355 66 W C -1.458 175.152 176.519 0.151 0.000 1.233 66 W CA -1.165 56.130 57.345 -0.082 0.000 1.176 66 W CB 0.674 30.102 29.460 -0.055 0.000 1.477 66 W HN 0.182 nan 8.180 nan 0.000 0.582 67 N N 2.120 120.978 118.700 0.264 0.000 2.402 67 N HA 0.213 4.952 4.740 -0.001 0.000 0.259 67 N C -0.299 175.351 175.510 0.233 0.000 1.167 67 N CA 0.039 53.197 53.050 0.179 0.000 0.949 67 N CB 0.209 38.799 38.487 0.171 0.000 1.212 67 N HN 0.404 nan 8.380 nan 0.000 0.493 68 I N 2.013 122.624 120.570 0.067 0.000 2.588 68 I HA 0.007 4.177 4.170 -0.001 0.000 0.283 68 I C 0.777 177.054 176.117 0.268 0.000 1.119 68 I CA 0.292 61.700 61.300 0.180 0.000 1.419 68 I CB 0.496 38.543 38.000 0.077 0.000 1.394 68 I HN 0.122 nan 8.210 nan 0.000 0.562 69 K N 6.192 126.787 120.400 0.325 0.000 2.259 69 K HA 0.586 4.906 4.320 -0.001 0.000 0.249 69 K C -1.341 175.432 176.600 0.289 0.000 0.942 69 K CA -0.686 55.728 56.287 0.213 0.000 0.816 69 K CB 2.209 34.801 32.500 0.154 0.000 1.155 69 K HN 0.478 nan 8.250 nan 0.000 0.428 70 Y N -1.886 118.503 120.300 0.148 0.000 2.581 70 Y HA 0.425 4.974 4.550 -0.001 0.000 0.345 70 Y C -1.049 174.923 175.900 0.120 0.000 1.036 70 Y CA -1.561 56.628 58.100 0.148 0.000 1.042 70 Y CB 1.185 39.751 38.460 0.177 0.000 1.289 70 Y HN 0.396 nan 8.280 nan 0.000 0.471 71 D N 3.072 123.618 120.400 0.242 0.000 2.316 71 D HA 0.317 4.957 4.640 -0.001 0.000 0.245 71 D C -1.946 174.510 176.300 0.261 0.000 1.171 71 D CA -2.548 51.537 54.000 0.143 0.000 0.856 71 D CB 1.669 42.531 40.800 0.103 0.000 1.090 71 D HN 0.389 nan 8.370 nan 0.000 0.476 72 P HA -0.064 nan 4.420 nan 0.000 0.219 72 P C 1.285 178.727 177.300 0.237 0.000 1.146 72 P CA 0.786 64.067 63.100 0.301 0.000 0.808 72 P CB 0.228 32.033 31.700 0.175 0.000 0.779 73 L N -0.890 120.422 121.223 0.148 0.000 2.599 73 L HA 0.019 4.359 4.340 -0.001 0.000 0.230 73 L C 2.336 179.249 176.870 0.071 0.000 1.141 73 L CA 0.565 55.468 54.840 0.105 0.000 0.877 73 L CB -0.554 41.545 42.059 0.066 0.000 1.009 73 L HN -0.001 nan 8.230 nan 0.000 0.447 74 K N 0.448 120.878 120.400 0.051 0.000 2.063 74 K HA -0.149 4.170 4.320 -0.001 0.000 0.208 74 K C -0.104 176.342 176.600 -0.258 0.000 1.048 74 K CA 1.190 57.392 56.287 -0.141 0.000 0.928 74 K CB 0.091 32.459 32.500 -0.220 0.000 0.713 74 K HN 0.078 nan 8.250 nan 0.000 0.442 75 Y N 0.741 121.157 120.300 0.194 0.000 2.387 75 Y HA 0.253 4.803 4.550 -0.000 0.000 0.336 75 Y C 0.035 176.010 175.900 0.125 0.000 1.067 75 Y CA -1.025 57.178 58.100 0.172 0.000 1.114 75 Y CB 1.453 39.968 38.460 0.091 0.000 1.208 75 Y HN 0.270 nan 8.280 nan 0.000 0.458 76 N N -0.545 118.302 118.700 0.244 0.000 3.277 76 N HA 0.503 5.243 4.740 -0.001 0.000 0.278 76 N C 0.009 175.539 175.510 0.033 0.000 1.544 76 N CA -0.418 52.701 53.050 0.114 0.000 0.869 76 N CB 0.395 38.937 38.487 0.090 0.000 1.584 76 N HN 0.480 nan 8.380 nan 0.000 0.564 77 A N -0.867 121.875 122.820 -0.130 0.000 2.024 77 A HA -0.153 4.167 4.320 -0.001 0.000 0.220 77 A C 1.052 178.498 177.584 -0.230 0.000 1.164 77 A CA 1.622 53.512 52.037 -0.246 0.000 0.643 77 A CB -1.247 17.511 19.000 -0.403 0.000 0.806 77 A HN 0.759 nan 8.150 nan 0.000 0.451 78 H N -3.708 115.420 119.070 0.097 0.000 2.551 78 H HA 0.210 4.765 4.556 -0.001 0.000 0.271 78 H C 0.003 175.437 175.328 0.177 0.000 0.984 78 H CA 0.604 56.714 56.048 0.102 0.000 1.164 78 H CB 0.246 30.056 29.762 0.080 0.000 1.437 78 H HN 0.636 nan 8.280 nan 0.000 0.550 79 H N 0.634 119.788 119.070 0.141 0.000 2.699 79 H HA 0.304 4.860 4.556 -0.000 0.000 0.256 79 H C -1.006 174.475 175.328 0.254 0.000 1.376 79 H CA -0.736 55.412 56.048 0.167 0.000 1.549 79 H CB 0.044 29.885 29.762 0.131 0.000 1.686 79 H HN 0.022 nan 8.280 nan 0.000 0.550 80 K N 2.169 122.545 120.400 -0.040 0.000 2.098 80 K HA 0.297 4.617 4.320 -0.001 0.000 0.261 80 K C -0.690 175.741 176.600 -0.282 0.000 0.987 80 K CA -1.249 54.990 56.287 -0.080 0.000 0.916 80 K CB 1.715 34.155 32.500 -0.101 0.000 1.039 80 K HN 0.221 nan 8.250 nan 0.000 0.455 81 L N 2.562 123.478 121.223 -0.512 0.000 2.313 81 L HA 0.146 4.485 4.340 -0.001 0.000 0.282 81 L C -0.857 175.744 176.870 -0.448 0.000 1.092 81 L CA 0.324 54.741 54.840 -0.705 0.000 0.831 81 L CB 0.150 41.630 42.059 -0.966 0.000 1.159 81 L HN 0.390 nan 8.230 nan 0.000 0.442 82 K N 4.654 124.816 120.400 -0.396 0.000 2.234 82 K HA 0.531 4.850 4.320 -0.001 0.000 0.277 82 K C -1.153 175.112 176.600 -0.559 0.000 1.038 82 K CA -0.606 55.407 56.287 -0.457 0.000 0.888 82 K CB 1.603 33.885 32.500 -0.364 0.000 1.091 82 K HN 0.386 nan 8.250 nan 0.000 0.467 83 V N 4.647 124.116 119.914 -0.743 0.000 2.417 83 V HA 0.372 4.492 4.120 -0.001 0.000 0.291 83 V C -0.887 174.670 176.094 -0.896 0.000 1.024 83 V CA -0.807 61.005 62.300 -0.814 0.000 0.861 83 V CB 0.626 31.780 31.823 -1.116 0.000 0.985 83 V HN 0.548 nan 8.190 nan 0.000 0.436 84 F N 3.677 123.372 119.950 -0.426 0.000 2.361 84 F HA 0.496 5.023 4.527 -0.001 0.000 0.364 84 F C 0.179 175.794 175.800 -0.309 0.000 1.117 84 F CA -0.708 57.099 58.000 -0.322 0.000 1.071 84 F CB 1.755 40.636 39.000 -0.198 0.000 1.188 84 F HN 0.186 nan 8.300 nan 0.000 0.464 85 V N 5.121 124.991 119.914 -0.075 0.000 2.385 85 V HA 0.280 4.400 4.120 -0.001 0.000 0.269 85 V C -0.183 176.007 176.094 0.160 0.000 1.043 85 V CA -0.604 61.719 62.300 0.039 0.000 0.906 85 V CB 1.171 33.089 31.823 0.157 0.000 0.995 85 V HN 0.430 nan 8.190 nan 0.000 0.467 86 V N 8.426 128.385 119.914 0.076 0.000 2.275 86 V HA 0.312 4.432 4.120 -0.001 0.000 0.272 86 V C -2.351 173.781 176.094 0.063 0.000 1.028 86 V CA -1.920 60.391 62.300 0.019 0.000 0.810 86 V CB 1.401 33.143 31.823 -0.135 0.000 1.043 86 V HN 0.716 nan 8.190 nan 0.000 0.453 87 P HA 0.327 nan 4.420 nan 0.000 0.271 87 P C -0.839 176.466 177.300 0.008 0.000 1.216 87 P CA 0.261 63.345 63.100 -0.026 0.000 0.776 87 P CB 0.365 31.868 31.700 -0.329 0.000 0.881 88 H N -1.167 117.906 119.070 0.006 0.000 2.990 88 H HA 0.794 5.350 4.556 -0.001 0.000 0.336 88 H C -1.485 173.948 175.328 0.175 0.000 1.306 88 H CA -1.123 54.830 56.048 -0.159 0.000 1.118 88 H CB 0.992 30.609 29.762 -0.242 0.000 1.856 88 H HN 0.193 nan 8.280 nan 0.000 0.538 89 S N 0.682 116.398 115.700 0.028 0.000 2.750 89 S HA 0.204 4.674 4.470 -0.001 0.000 0.276 89 S C -1.877 172.650 174.600 -0.123 0.000 1.165 89 S CA -0.661 57.596 58.200 0.095 0.000 1.047 89 S CB 0.152 63.593 63.200 0.403 0.000 1.056 89 S HN 0.838 nan 8.310 nan 0.000 0.481 90 H N 4.449 123.410 119.070 -0.180 0.000 2.782 90 H HA 0.439 4.995 4.556 -0.001 0.000 0.285 90 H C -0.156 174.771 175.328 -0.669 0.000 1.093 90 H CA 0.202 56.056 56.048 -0.324 0.000 1.410 90 H CB 0.237 29.837 29.762 -0.271 0.000 1.439 90 H HN 0.558 nan 8.280 nan 0.000 0.469 91 N N 5.561 123.617 118.700 -1.073 0.000 2.518 91 N HA 0.067 4.806 4.740 -0.001 0.000 0.254 91 N C -1.184 173.856 175.510 -0.783 0.000 0.979 91 N CA -0.613 51.657 53.050 -1.300 0.000 0.930 91 N CB 1.123 39.145 38.487 -0.775 0.000 1.152 91 N HN 0.660 nan 8.380 nan 0.000 0.505 92 D N 2.755 122.721 120.400 -0.723 0.000 2.343 92 D HA 0.117 4.756 4.640 -0.001 0.000 0.255 92 D C -2.096 174.245 176.300 0.067 0.000 1.187 92 D CA -0.947 52.900 54.000 -0.254 0.000 0.875 92 D CB 1.506 42.394 40.800 0.146 0.000 1.136 92 D HN 0.193 nan 8.370 nan 0.000 0.469 93 P HA 0.185 nan 4.420 nan 0.000 0.231 93 P C 0.022 177.510 177.300 0.313 0.000 1.756 93 P CA 0.020 63.121 63.100 0.002 0.000 0.990 93 P CB 0.159 31.738 31.700 -0.203 0.000 1.973 94 G N 0.362 109.521 108.800 0.598 0.000 3.067 94 G HA2 0.012 3.972 3.960 -0.001 0.000 0.686 94 G HA3 0.012 3.972 3.960 -0.001 0.000 0.686 94 G C -1.086 174.337 174.900 0.872 0.000 1.119 94 G CA -0.629 44.853 45.100 0.636 0.000 0.790 94 G HN 0.360 nan 8.290 nan 0.000 0.605 95 W N 2.430 124.068 121.300 0.564 0.000 4.491 95 W HA 0.308 4.968 4.660 -0.000 0.000 0.161 95 W C 0.866 177.562 176.519 0.296 0.000 3.471 95 W CA 0.879 58.519 57.345 0.491 0.000 1.147 95 W CB -0.757 29.065 29.460 0.604 0.000 2.109 95 W HN 0.521 nan 8.180 nan 0.000 0.361 96 I N 2.064 122.647 120.570 0.022 0.000 3.226 96 I HA 0.157 4.327 4.170 -0.001 0.000 0.277 96 I C 0.377 176.386 176.117 -0.179 0.000 1.243 96 I CA 0.983 62.124 61.300 -0.265 0.000 1.459 96 I CB -1.164 36.623 38.000 -0.355 0.000 1.093 96 I HN 0.104 nan 8.210 nan 0.000 0.453 97 Q N -0.171 119.386 119.800 -0.406 0.000 2.496 97 Q HA 0.390 4.730 4.340 -0.001 0.000 0.286 97 Q C 0.152 175.924 176.000 -0.380 0.000 1.103 97 Q CA -0.669 54.841 55.803 -0.488 0.000 0.813 97 Q CB 2.001 30.195 28.738 -0.907 0.000 1.444 97 Q HN 0.227 nan 8.270 nan 0.000 0.443 98 T N -2.183 112.248 114.554 -0.205 0.000 2.766 98 T HA 0.111 4.461 4.350 -0.001 0.000 0.295 98 T C 0.807 175.593 174.700 0.144 0.000 1.024 98 T CA -0.442 61.612 62.100 -0.076 0.000 1.018 98 T CB 0.295 69.147 68.868 -0.026 0.000 1.002 98 T HN 0.566 nan 8.240 nan 0.000 0.532 99 F N 1.208 121.225 119.950 0.111 0.000 2.063 99 F HA -0.159 4.368 4.527 -0.001 0.000 0.298 99 F C 2.469 178.448 175.800 0.299 0.000 1.109 99 F CA 2.431 60.569 58.000 0.230 0.000 1.212 99 F CB -0.367 38.658 39.000 0.041 0.000 0.973 99 F HN 0.783 nan 8.300 nan 0.000 0.480 100 E N 0.327 120.746 120.200 0.364 0.000 2.106 100 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 100 E C 2.021 178.671 176.600 0.083 0.000 0.984 100 E CA 1.682 58.238 56.400 0.261 0.000 0.806 100 E CB -0.273 29.569 29.700 0.236 0.000 0.750 100 E HN 0.613 nan 8.360 nan 0.000 0.458 101 E N -1.012 119.174 120.200 -0.023 0.000 2.051 101 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 101 E C 1.829 178.219 176.600 -0.351 0.000 0.991 101 E CA 1.200 57.422 56.400 -0.296 0.000 0.799 101 E CB -0.248 29.348 29.700 -0.174 0.000 0.748 101 E HN 0.334 nan 8.360 nan 0.000 0.449 102 Y N -0.514 119.730 120.300 -0.092 0.000 2.181 102 Y HA -0.258 4.292 4.550 -0.001 0.000 0.288 102 Y C 2.209 178.034 175.900 -0.126 0.000 1.146 102 Y CA 1.249 59.281 58.100 -0.114 0.000 1.164 102 Y CB -0.769 37.716 38.460 0.041 0.000 0.982 102 Y HN 0.196 nan 8.280 nan 0.000 0.515 103 Y N 0.869 121.168 120.300 -0.002 0.000 2.128 103 Y HA -0.286 4.263 4.550 -0.001 0.000 0.284 103 Y C 2.289 178.147 175.900 -0.071 0.000 1.154 103 Y CA 1.914 59.968 58.100 -0.075 0.000 1.149 103 Y CB -0.362 38.058 38.460 -0.066 0.000 0.976 103 Y HN 0.063 nan 8.280 nan 0.000 0.505 104 Q N -0.671 119.021 119.800 -0.180 0.000 2.119 104 Q HA -0.161 4.179 4.340 -0.001 0.000 0.201 104 Q C 2.097 178.059 176.000 -0.064 0.000 0.972 104 Q CA 2.156 57.831 55.803 -0.214 0.000 0.847 104 Q CB -0.547 28.105 28.738 -0.144 0.000 0.903 104 Q HN 0.778 nan 8.270 nan 0.000 0.433 105 H N -0.801 118.286 119.070 0.028 0.000 2.465 105 H HA 0.065 4.621 4.556 -0.001 0.000 0.289 105 H C 0.948 176.363 175.328 0.146 0.000 1.022 105 H CA 0.623 56.719 56.048 0.079 0.000 1.340 105 H CB 0.673 30.445 29.762 0.016 0.000 1.437 105 H HN 0.186 nan 8.280 nan 0.000 0.539 106 D N -1.054 119.447 120.400 0.168 0.000 3.081 106 D HA 0.013 4.653 4.640 -0.001 0.000 0.243 106 D C 1.742 178.098 176.300 0.093 0.000 1.388 106 D CA 0.542 54.629 54.000 0.144 0.000 1.245 106 D CB 0.035 40.824 40.800 -0.018 0.000 1.319 106 D HN 0.060 nan 8.370 nan 0.000 0.377 107 T N 2.524 117.051 114.554 -0.046 0.000 2.788 107 T HA -0.144 4.205 4.350 -0.001 0.000 0.268 107 T C 1.939 176.474 174.700 -0.274 0.000 1.044 107 T CA 1.488 63.523 62.100 -0.108 0.000 1.139 107 T CB -0.082 68.559 68.868 -0.379 0.000 0.867 107 T HN 0.242 nan 8.240 nan 0.000 0.454 108 K N 0.797 120.850 120.400 -0.579 0.000 2.147 108 K HA -0.157 4.162 4.320 -0.001 0.000 0.205 108 K C 1.940 178.278 176.600 -0.437 0.000 1.049 108 K CA 1.446 57.366 56.287 -0.613 0.000 0.936 108 K CB -0.387 31.538 32.500 -0.959 0.000 0.722 108 K HN 0.406 nan 8.250 nan 0.000 0.446 109 H N 0.993 119.985 119.070 -0.130 0.000 2.395 109 H HA 0.048 4.604 4.556 -0.001 0.000 0.299 109 H C 2.298 177.624 175.328 -0.004 0.000 1.070 109 H CA 1.405 57.434 56.048 -0.031 0.000 1.356 109 H CB -0.166 29.604 29.762 0.013 0.000 1.401 109 H HN 0.191 nan 8.280 nan 0.000 0.524 110 I N 0.779 121.427 120.570 0.129 0.000 2.163 110 I HA -0.280 3.890 4.170 -0.001 0.000 0.243 110 I C 2.447 178.577 176.117 0.021 0.000 1.085 110 I CA 1.167 62.588 61.300 0.201 0.000 1.347 110 I CB -0.265 37.925 38.000 0.318 0.000 1.044 110 I HN 0.096 nan 8.210 nan 0.000 0.408 111 L N -0.417 120.596 121.223 -0.351 0.000 2.093 111 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 111 L C 2.662 179.167 176.870 -0.607 0.000 1.085 111 L CA 0.994 55.384 54.840 -0.751 0.000 0.755 111 L CB -0.470 40.598 42.059 -1.651 0.000 0.904 111 L HN 0.163 nan 8.230 nan 0.000 0.435 112 S N 0.073 115.531 115.700 -0.403 0.000 2.368 112 S HA -0.128 4.341 4.470 -0.001 0.000 0.225 112 S C 1.692 176.257 174.600 -0.058 0.000 1.030 112 S CA 1.290 59.501 58.200 0.018 0.000 0.999 112 S CB -0.251 63.029 63.200 0.133 0.000 0.844 112 S HN 0.456 nan 8.310 nan 0.000 0.459 113 N N 1.607 120.260 118.700 -0.077 0.000 2.354 113 N HA 0.145 4.885 4.740 -0.001 0.000 0.179 113 N C 1.711 176.858 175.510 -0.605 0.000 1.021 113 N CA 0.940 53.871 53.050 -0.198 0.000 0.887 113 N CB -0.527 37.962 38.487 0.003 0.000 0.974 113 N HN 0.386 nan 8.380 nan 0.000 0.437 114 A N 1.169 123.713 122.820 -0.461 0.000 1.902 114 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 114 A C 2.179 179.479 177.584 -0.474 0.000 1.181 114 A CA 0.942 52.546 52.037 -0.722 0.000 0.623 114 A CB -0.703 18.145 19.000 -0.255 0.000 0.818 114 A HN 0.220 nan 8.150 nan 0.000 0.443 115 L N 0.130 121.222 121.223 -0.218 0.000 2.012 115 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 115 L C 2.474 179.275 176.870 -0.116 0.000 1.073 115 L CA 2.601 57.393 54.840 -0.079 0.000 0.748 115 L CB -0.709 41.378 42.059 0.046 0.000 0.891 115 L HN 0.506 nan 8.230 nan 0.000 0.431 116 R N -1.767 118.634 120.500 -0.165 0.000 2.070 116 R HA -0.247 4.093 4.340 -0.001 0.000 0.233 116 R C 2.437 178.637 176.300 -0.167 0.000 1.137 116 R CA 1.970 57.989 56.100 -0.136 0.000 0.945 116 R CB -0.544 29.682 30.300 -0.124 0.000 0.845 116 R HN 0.571 nan 8.270 nan 0.000 0.430 117 H N 0.046 118.825 119.070 -0.485 0.000 2.357 117 H HA 0.011 4.566 4.556 -0.001 0.000 0.301 117 H C 2.053 177.158 175.328 -0.371 0.000 1.082 117 H CA 1.917 57.656 56.048 -0.515 0.000 1.342 117 H CB 0.013 29.198 29.762 -0.961 0.000 1.389 117 H HN 0.148 nan 8.280 nan 0.000 0.511 118 L N -0.992 120.047 121.223 -0.306 0.000 2.056 118 L HA -0.173 4.166 4.340 -0.001 0.000 0.207 118 L C 2.428 179.247 176.870 -0.085 0.000 1.078 118 L CA 1.562 56.306 54.840 -0.159 0.000 0.749 118 L CB -0.547 41.440 42.059 -0.120 0.000 0.901 118 L HN 0.415 nan 8.230 nan 0.000 0.433 119 H N 0.361 119.348 119.070 -0.139 0.000 2.319 119 H HA -0.215 4.341 4.556 -0.001 0.000 0.297 119 H C 1.651 176.915 175.328 -0.106 0.000 1.097 119 H CA 2.157 58.150 56.048 -0.092 0.000 1.285 119 H CB 0.085 29.802 29.762 -0.074 0.000 1.368 119 H HN 0.227 nan 8.280 nan 0.000 0.495 120 D N -0.375 119.961 120.400 -0.107 0.000 2.347 120 D HA -0.007 4.633 4.640 -0.001 0.000 0.213 120 D C -0.187 175.992 176.300 -0.202 0.000 0.985 120 D CA 0.543 54.446 54.000 -0.162 0.000 0.879 120 D CB 0.068 40.782 40.800 -0.143 0.000 0.919 120 D HN 0.414 nan 8.370 nan 0.000 0.526 121 N N 0.636 119.213 118.700 -0.205 0.000 2.762 121 N HA 0.139 4.879 4.740 -0.001 0.000 0.252 121 N C -2.206 173.266 175.510 -0.062 0.000 1.269 121 N CA -1.032 51.936 53.050 -0.136 0.000 0.799 121 N CB 2.337 40.719 38.487 -0.175 0.000 1.173 121 N HN -0.122 nan 8.380 nan 0.000 0.516 122 P HA -0.097 nan 4.420 nan 0.000 0.221 122 P C 0.875 178.192 177.300 0.029 0.000 1.145 122 P CA 1.255 64.338 63.100 -0.028 0.000 0.795 122 P CB 0.536 32.215 31.700 -0.035 0.000 0.775 123 E N -1.727 118.521 120.200 0.080 0.000 2.474 123 E HA 0.070 4.419 4.350 -0.001 0.000 0.194 123 E C 0.811 177.544 176.600 0.222 0.000 1.041 123 E CA 0.023 56.519 56.400 0.159 0.000 0.874 123 E CB -0.469 29.356 29.700 0.208 0.000 0.914 123 E HN 0.258 nan 8.360 nan 0.000 0.498 124 M N 1.576 121.241 119.600 0.109 0.000 2.243 124 M HA 0.123 4.603 4.480 -0.001 0.000 0.341 124 M C -0.333 175.955 176.300 -0.021 0.000 1.130 124 M CA 0.170 55.434 55.300 -0.059 0.000 1.162 124 M CB 0.492 33.063 32.600 -0.048 0.000 1.497 124 M HN -0.352 nan 8.290 nan 0.000 0.456 125 K N 3.142 123.498 120.400 -0.073 0.000 2.444 125 K HA 0.652 4.971 4.320 -0.001 0.000 0.252 125 K C -1.727 174.921 176.600 0.080 0.000 0.993 125 K CA -0.490 55.813 56.287 0.027 0.000 0.847 125 K CB 2.198 34.737 32.500 0.066 0.000 1.340 125 K HN 0.669 nan 8.250 nan 0.000 0.446 126 F N 1.436 121.311 119.950 -0.125 0.000 2.672 126 F HA 0.440 4.966 4.527 -0.001 0.000 0.311 126 F C -1.405 174.295 175.800 -0.168 0.000 1.113 126 F CA -1.261 56.651 58.000 -0.147 0.000 0.996 126 F CB 1.030 40.021 39.000 -0.015 0.000 1.286 126 F HN 0.456 nan 8.300 nan 0.000 0.441 127 I N 1.769 122.007 120.570 -0.553 0.000 2.648 127 I HA 0.611 4.781 4.170 -0.001 0.000 0.304 127 I C -1.715 173.972 176.117 -0.715 0.000 1.009 127 I CA -0.608 60.328 61.300 -0.607 0.000 1.114 127 I CB 2.525 40.111 38.000 -0.689 0.000 1.293 127 I HN 0.695 nan 8.210 nan 0.000 0.449 128 W N 4.385 125.294 121.300 -0.651 0.000 2.957 128 W HA 0.629 5.288 4.660 -0.001 0.000 0.336 128 W C -0.766 175.674 176.519 -0.132 0.000 1.087 128 W CA -0.535 56.561 57.345 -0.415 0.000 1.235 128 W CB 2.683 31.959 29.460 -0.307 0.000 1.399 128 W HN 0.787 nan 8.180 nan 0.000 0.480 129 A N 3.395 125.846 122.820 -0.615 0.000 2.013 129 A HA 0.169 4.488 4.320 -0.001 0.000 0.204 129 A C -0.061 177.481 177.584 -0.069 0.000 1.262 129 A CA 0.497 52.416 52.037 -0.197 0.000 0.800 129 A CB 0.033 18.976 19.000 -0.095 0.000 0.909 129 A HN 0.495 nan 8.150 nan 0.000 0.472 130 E N 0.925 120.976 120.200 -0.249 0.000 2.014 130 E HA 0.327 4.677 4.350 -0.001 0.000 0.275 130 E C 0.405 177.175 176.600 0.282 0.000 0.997 130 E CA -0.292 56.127 56.400 0.033 0.000 0.804 130 E CB 0.839 30.547 29.700 0.013 0.000 1.090 130 E HN 0.262 nan 8.360 nan 0.000 0.401 131 I N 1.519 122.150 120.570 0.102 0.000 2.761 131 I HA -0.182 3.987 4.170 -0.001 0.000 0.261 131 I C 1.945 177.729 176.117 -0.555 0.000 1.198 131 I CA 0.870 62.165 61.300 -0.009 0.000 1.482 131 I CB -1.353 36.695 38.000 0.080 0.000 1.100 131 I HN 0.415 nan 8.210 nan 0.000 0.445 132 S N 1.110 116.160 115.700 -1.084 0.000 2.365 132 S HA -0.265 4.204 4.470 -0.001 0.000 0.225 132 S C 2.136 176.420 174.600 -0.528 0.000 1.039 132 S CA 1.313 58.468 58.200 -1.740 0.000 1.033 132 S CB -1.006 61.230 63.200 -1.606 0.000 0.887 132 S HN 0.360 nan 8.310 nan 0.000 0.447 133 Y N 0.590 120.891 120.300 0.003 0.000 2.220 133 Y HA 0.145 4.694 4.550 -0.001 0.000 0.291 133 Y C 2.222 178.183 175.900 0.101 0.000 1.129 133 Y CA 0.335 58.537 58.100 0.170 0.000 1.161 133 Y CB -0.951 37.712 38.460 0.338 0.000 0.997 133 Y HN 0.336 nan 8.280 nan 0.000 0.522 134 F N 0.019 120.058 119.950 0.147 0.000 2.134 134 F HA -0.158 4.369 4.527 -0.001 0.000 0.299 134 F C 2.339 178.006 175.800 -0.221 0.000 1.097 134 F CA 1.276 59.255 58.000 -0.034 0.000 1.264 134 F CB -0.432 38.546 39.000 -0.036 0.000 1.001 134 F HN -0.019 nan 8.300 nan 0.000 0.479 135 A N 0.222 122.724 122.820 -0.530 0.000 1.902 135 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 135 A C 2.135 179.563 177.584 -0.259 0.000 1.181 135 A CA 1.778 53.269 52.037 -0.911 0.000 0.623 135 A CB -0.715 17.567 19.000 -1.196 0.000 0.818 135 A HN 0.397 nan 8.150 nan 0.000 0.443 136 R N -0.817 119.575 120.500 -0.181 0.000 2.073 136 R HA -0.117 4.223 4.340 -0.001 0.000 0.234 136 R C 1.767 178.042 176.300 -0.041 0.000 1.134 136 R CA 2.026 58.048 56.100 -0.130 0.000 0.952 136 R CB -1.093 29.055 30.300 -0.254 0.000 0.850 136 R HN 0.437 nan 8.270 nan 0.000 0.433 137 F N 0.065 119.951 119.950 -0.107 0.000 2.069 137 F HA -0.208 4.319 4.527 -0.001 0.000 0.298 137 F C 2.015 177.768 175.800 -0.077 0.000 1.113 137 F CA 1.996 59.992 58.000 -0.007 0.000 1.214 137 F CB -0.920 38.004 39.000 -0.127 0.000 0.978 137 F HN 0.167 nan 8.300 nan 0.000 0.474 138 Y N 0.147 120.270 120.300 -0.295 0.000 2.165 138 Y HA -0.303 4.246 4.550 -0.001 0.000 0.286 138 Y C 2.982 178.800 175.900 -0.137 0.000 1.155 138 Y CA 2.368 60.331 58.100 -0.230 0.000 1.164 138 Y CB -1.008 37.516 38.460 0.106 0.000 0.978 138 Y HN 0.293 nan 8.280 nan 0.000 0.513 139 H N -0.326 118.739 119.070 -0.009 0.000 2.352 139 H HA -0.168 4.388 4.556 -0.001 0.000 0.299 139 H C 1.035 176.249 175.328 -0.190 0.000 1.097 139 H CA 2.049 58.055 56.048 -0.070 0.000 1.311 139 H CB -0.118 29.644 29.762 0.000 0.000 1.377 139 H HN 0.375 nan 8.280 nan 0.000 0.504 140 D N 0.457 120.750 120.400 -0.177 0.000 2.363 140 D HA 0.069 4.709 4.640 -0.001 0.000 0.220 140 D C 0.567 176.656 176.300 -0.352 0.000 0.994 140 D CA 0.087 53.959 54.000 -0.213 0.000 0.890 140 D CB 0.057 40.801 40.800 -0.094 0.000 0.906 140 D HN 0.286 nan 8.370 nan 0.000 0.530 141 L N 0.500 121.417 121.223 -0.509 0.000 2.417 141 L HA 0.285 4.625 4.340 -0.001 0.000 0.268 141 L C 1.418 178.066 176.870 -0.370 0.000 1.158 141 L CA -0.601 53.940 54.840 -0.498 0.000 0.819 141 L CB 0.840 42.535 42.059 -0.608 0.000 1.112 141 L HN -0.027 nan 8.230 nan 0.000 0.458 142 G N 0.855 109.495 108.800 -0.267 0.000 2.594 142 G HA2 0.003 3.963 3.960 -0.001 0.000 0.243 142 G HA3 0.003 3.963 3.960 -0.001 0.000 0.243 142 G C 0.655 175.436 174.900 -0.198 0.000 1.229 142 G CA -0.275 44.706 45.100 -0.199 0.000 0.843 142 G HN 0.820 nan 8.290 nan 0.000 0.578 143 E N 0.267 120.378 120.200 -0.147 0.000 2.110 143 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 143 E C 2.202 178.751 176.600 -0.085 0.000 0.988 143 E CA 1.513 57.844 56.400 -0.115 0.000 0.804 143 E CB -0.126 29.532 29.700 -0.070 0.000 0.745 143 E HN 0.588 nan 8.360 nan 0.000 0.458 144 N N 0.192 118.846 118.700 -0.077 0.000 2.069 144 N HA -0.198 4.541 4.740 -0.001 0.000 0.191 144 N C 1.419 176.890 175.510 -0.064 0.000 1.031 144 N CA 1.401 54.416 53.050 -0.059 0.000 0.852 144 N CB 0.013 38.464 38.487 -0.061 0.000 1.018 144 N HN 0.051 nan 8.380 nan 0.000 0.423 145 K N 1.235 121.577 120.400 -0.097 0.000 2.103 145 K HA -0.029 4.290 4.320 -0.001 0.000 0.204 145 K C 2.031 178.595 176.600 -0.061 0.000 1.052 145 K CA 0.627 56.860 56.287 -0.090 0.000 0.945 145 K CB -0.211 32.215 32.500 -0.123 0.000 0.722 145 K HN 0.323 nan 8.250 nan 0.000 0.443 146 K N 0.876 121.188 120.400 -0.146 0.000 2.044 146 K HA -0.095 4.225 4.320 -0.001 0.000 0.210 146 K C 2.281 178.963 176.600 0.138 0.000 1.049 146 K CA 1.167 57.382 56.287 -0.121 0.000 0.927 146 K CB -0.241 32.071 32.500 -0.313 0.000 0.713 146 K HN 0.049 nan 8.250 nan 0.000 0.443 147 L N 1.040 122.307 121.223 0.074 0.000 2.046 147 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 147 L C 2.600 179.540 176.870 0.118 0.000 1.077 147 L CA 1.327 56.229 54.840 0.103 0.000 0.747 147 L CB -0.432 41.661 42.059 0.057 0.000 0.896 147 L HN 0.268 nan 8.230 nan 0.000 0.432 148 Q N -0.858 118.991 119.800 0.082 0.000 2.096 148 Q HA -0.275 4.065 4.340 -0.001 0.000 0.204 148 Q C 2.208 178.306 176.000 0.163 0.000 0.982 148 Q CA 1.771 57.632 55.803 0.095 0.000 0.850 148 Q CB -0.212 28.519 28.738 -0.012 0.000 0.901 148 Q HN 0.372 nan 8.270 nan 0.000 0.422 149 M N 1.163 120.891 119.600 0.212 0.000 2.086 149 M HA -0.150 4.330 4.480 -0.001 0.000 0.261 149 M C 1.632 178.132 176.300 0.334 0.000 1.067 149 M CA 1.758 57.254 55.300 0.326 0.000 1.116 149 M CB 0.018 32.914 32.600 0.493 0.000 1.348 149 M HN -0.097 nan 8.290 nan 0.000 0.407 150 K N -1.017 119.580 120.400 0.329 0.000 2.152 150 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 150 K C 2.280 178.987 176.600 0.179 0.000 1.048 150 K CA 1.567 58.009 56.287 0.258 0.000 0.933 150 K CB -0.430 32.208 32.500 0.230 0.000 0.721 150 K HN 0.406 nan 8.250 nan 0.000 0.447 151 S N 1.484 117.280 115.700 0.159 0.000 2.368 151 S HA -0.089 4.381 4.470 -0.001 0.000 0.224 151 S C 1.939 176.602 174.600 0.105 0.000 1.029 151 S CA 1.076 59.347 58.200 0.119 0.000 0.988 151 S CB -0.216 63.054 63.200 0.116 0.000 0.838 151 S HN 0.394 nan 8.310 nan 0.000 0.462 152 I N -0.859 119.785 120.570 0.123 0.000 2.830 152 I HA 0.057 4.226 4.170 -0.001 0.000 0.263 152 I C 1.800 177.957 176.117 0.067 0.000 1.230 152 I CA 0.644 61.996 61.300 0.087 0.000 1.480 152 I CB -0.307 37.745 38.000 0.087 0.000 1.095 152 I HN 0.092 nan 8.210 nan 0.000 0.455 153 V N 1.516 121.490 119.914 0.099 0.000 2.346 153 V HA -0.176 3.944 4.120 -0.001 0.000 0.244 153 V C 2.692 178.827 176.094 0.068 0.000 1.037 153 V CA 1.958 64.305 62.300 0.079 0.000 1.029 153 V CB -0.685 31.247 31.823 0.182 0.000 0.663 153 V HN 0.420 nan 8.190 nan 0.000 0.454 154 K N 1.520 121.968 120.400 0.080 0.000 2.103 154 K HA -0.233 4.087 4.320 -0.001 0.000 0.207 154 K C 1.777 178.398 176.600 0.035 0.000 1.048 154 K CA 1.917 58.237 56.287 0.056 0.000 0.930 154 K CB -0.225 32.311 32.500 0.059 0.000 0.716 154 K HN 0.662 nan 8.250 nan 0.000 0.444 155 N N -0.517 118.204 118.700 0.035 0.000 2.461 155 N HA -0.008 4.732 4.740 -0.001 0.000 0.188 155 N C 0.832 176.348 175.510 0.011 0.000 1.134 155 N CA 1.107 54.169 53.050 0.021 0.000 0.878 155 N CB 0.370 38.869 38.487 0.020 0.000 0.972 155 N HN 0.339 nan 8.380 nan 0.000 0.456 156 G N -0.164 108.640 108.800 0.006 0.000 2.159 156 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.256 156 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.256 156 G C 0.762 175.653 174.900 -0.015 0.000 0.977 156 G CA 0.497 45.590 45.100 -0.011 0.000 0.652 156 G HN 0.465 nan 8.290 nan 0.000 0.531 157 Q N -1.343 118.456 119.800 -0.003 0.000 2.096 157 Q HA 0.210 4.550 4.340 -0.001 0.000 0.197 157 Q C 1.215 177.213 176.000 -0.003 0.000 0.964 157 Q CA 1.063 56.870 55.803 0.006 0.000 0.838 157 Q CB 0.196 28.942 28.738 0.013 0.000 0.906 157 Q HN 0.595 nan 8.270 nan 0.000 0.444 158 L N 1.142 122.345 121.223 -0.033 0.000 2.272 158 L HA 0.302 4.642 4.340 -0.001 0.000 0.289 158 L C -0.977 175.727 176.870 -0.276 0.000 1.032 158 L CA -0.075 54.699 54.840 -0.110 0.000 0.810 158 L CB 1.504 43.511 42.059 -0.087 0.000 1.205 158 L HN -0.076 nan 8.230 nan 0.000 0.422 159 E N 4.246 124.240 120.200 -0.343 0.000 2.199 159 E HA 0.359 4.708 4.350 -0.001 0.000 0.265 159 E C -1.471 174.862 176.600 -0.444 0.000 0.882 159 E CA -0.741 55.461 56.400 -0.329 0.000 0.759 159 E CB 0.978 30.563 29.700 -0.191 0.000 1.148 159 E HN 0.505 nan 8.360 nan 0.000 0.412 160 F N 3.219 123.125 119.950 -0.074 0.000 2.427 160 F HA 0.208 4.735 4.527 -0.001 0.000 0.352 160 F C 0.319 176.091 175.800 -0.048 0.000 1.100 160 F CA -0.490 57.479 58.000 -0.052 0.000 1.191 160 F CB 1.154 40.135 39.000 -0.032 0.000 1.128 160 F HN 0.178 nan 8.300 nan 0.000 0.533 161 V N 0.120 120.098 119.914 0.107 0.000 2.495 161 V HA 0.647 4.767 4.120 -0.001 0.000 0.298 161 V C 0.238 176.460 176.094 0.214 0.000 1.031 161 V CA -0.500 61.856 62.300 0.094 0.000 0.871 161 V CB 0.884 32.649 31.823 -0.097 0.000 0.988 161 V HN 0.981 nan 8.190 nan 0.000 0.432 162 T N 3.351 118.105 114.554 0.333 0.000 13.132 162 T HA -0.305 4.044 4.350 -0.001 0.000 0.419 162 T C 1.743 176.670 174.700 0.379 0.000 1.442 162 T CA 2.841 65.186 62.100 0.408 0.000 2.366 162 T CB -1.692 67.320 68.868 0.239 0.000 2.813 162 T HN 2.779 nan 8.240 nan 0.000 0.650 163 G N 1.882 110.845 108.800 0.271 0.000 2.136 163 G HA2 0.115 4.075 3.960 -0.001 0.000 0.242 163 G HA3 0.115 4.075 3.960 -0.001 0.000 0.242 163 G C 0.313 175.353 174.900 0.235 0.000 0.989 163 G CA 0.575 45.811 45.100 0.228 0.000 0.682 163 G HN 1.573 nan 8.290 nan 0.000 0.522 164 G N -1.571 107.367 108.800 0.230 0.000 2.572 164 G HA2 0.351 4.311 3.960 -0.001 0.000 0.261 164 G HA3 0.351 4.311 3.960 -0.001 0.000 0.261 164 G C 0.999 176.073 174.900 0.290 0.000 1.197 164 G CA 0.210 45.456 45.100 0.243 0.000 0.870 164 G HN 0.351 nan 8.290 nan 0.000 0.548 165 W N 0.512 121.856 121.300 0.073 0.000 2.325 165 W HA -0.059 4.601 4.660 -0.001 0.000 0.299 165 W C 0.710 177.260 176.519 0.051 0.000 1.215 165 W CA 1.944 59.317 57.345 0.046 0.000 1.244 165 W CB 0.230 29.698 29.460 0.014 0.000 1.140 165 W HN 0.410 nan 8.180 nan 0.000 0.523 166 V N -2.768 117.264 119.914 0.197 0.000 3.156 166 V HA 0.494 4.614 4.120 -0.001 0.000 0.310 166 V C -0.440 175.743 176.094 0.149 0.000 1.234 166 V CA -1.281 61.084 62.300 0.108 0.000 1.065 166 V CB 1.738 33.644 31.823 0.138 0.000 1.088 166 V HN -0.054 nan 8.190 nan 0.000 0.451 167 M N 3.958 123.675 119.600 0.195 0.000 2.152 167 M HA 0.505 4.985 4.480 -0.001 0.000 0.354 167 M C -2.683 173.779 176.300 0.270 0.000 1.173 167 M CA -1.887 53.546 55.300 0.221 0.000 1.110 167 M CB 1.327 34.082 32.600 0.258 0.000 1.366 167 M HN 0.635 nan 8.290 nan 0.000 0.415 168 P HA 0.117 nan 4.420 nan 0.000 0.274 168 P C -0.900 176.408 177.300 0.013 0.000 1.231 168 P CA -0.183 62.968 63.100 0.086 0.000 0.790 168 P CB 0.537 32.273 31.700 0.061 0.000 0.951 169 D N 0.840 121.205 120.400 -0.058 0.000 2.515 169 D HA -0.100 4.539 4.640 -0.001 0.000 0.232 169 D C 0.722 177.027 176.300 0.009 0.000 1.157 169 D CA 0.797 54.742 54.000 -0.092 0.000 0.871 169 D CB 0.432 41.188 40.800 -0.075 0.000 1.200 169 D HN 0.315 nan 8.370 nan 0.000 0.466 170 E N 1.488 121.736 120.200 0.081 0.000 2.526 170 E HA 0.183 4.533 4.350 -0.001 0.000 0.208 170 E C 0.911 177.685 176.600 0.290 0.000 0.997 170 E CA 0.053 56.573 56.400 0.200 0.000 0.961 170 E CB 0.648 30.485 29.700 0.229 0.000 1.030 170 E HN 0.475 nan 8.360 nan 0.000 0.483 171 A N 1.509 124.439 122.820 0.182 0.000 1.887 171 A HA 0.015 4.335 4.320 -0.001 0.000 0.210 171 A C 1.828 179.287 177.584 -0.209 0.000 1.221 171 A CA 0.594 52.503 52.037 -0.213 0.000 0.635 171 A CB 0.019 18.862 19.000 -0.262 0.000 0.881 171 A HN 0.035 nan 8.150 nan 0.000 0.456 172 N N 0.679 119.343 118.700 -0.061 0.000 2.405 172 N HA 0.007 4.747 4.740 -0.001 0.000 0.175 172 N C 0.465 175.957 175.510 -0.029 0.000 1.051 172 N CA 0.766 53.780 53.050 -0.060 0.000 0.899 172 N CB 0.032 38.525 38.487 0.011 0.000 1.000 172 N HN 0.501 nan 8.380 nan 0.000 0.451 173 S N 0.793 116.487 115.700 -0.010 0.000 2.564 173 S HA 0.036 4.505 4.470 -0.001 0.000 0.278 173 S C 0.030 174.643 174.600 0.022 0.000 1.333 173 S CA -0.569 57.639 58.200 0.014 0.000 1.048 173 S CB 1.123 64.334 63.200 0.018 0.000 0.900 173 S HN 0.202 nan 8.310 nan 0.000 0.505 174 H N 3.426 122.475 119.070 -0.035 0.000 2.582 174 H HA 0.035 4.591 4.556 -0.001 0.000 0.345 174 H C 1.278 176.584 175.328 -0.037 0.000 1.104 174 H CA -0.192 55.825 56.048 -0.053 0.000 1.390 174 H CB 0.522 30.204 29.762 -0.133 0.000 1.461 174 H HN 1.032 nan 8.280 nan 0.000 0.551 175 W N 5.864 127.081 121.300 -0.139 0.000 2.331 175 W HA -0.194 4.466 4.660 -0.000 0.000 0.291 175 W C 1.089 177.680 176.519 0.120 0.000 1.214 175 W CA 0.496 57.831 57.345 -0.018 0.000 1.228 175 W CB -0.489 28.901 29.460 -0.118 0.000 1.135 175 W HN 0.537 nan 8.180 nan 0.000 0.537 176 R N 0.776 120.910 120.500 -0.611 0.000 2.096 176 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 176 R C 2.000 178.140 176.300 -0.267 0.000 1.127 176 R CA 1.916 57.557 56.100 -0.765 0.000 0.968 176 R CB -0.425 29.369 30.300 -0.844 0.000 0.861 176 R HN 0.157 nan 8.270 nan 0.000 0.440 177 N N -0.244 118.382 118.700 -0.122 0.000 2.376 177 N HA -0.048 4.692 4.740 -0.001 0.000 0.177 177 N C 1.704 177.218 175.510 0.007 0.000 1.024 177 N CA 0.655 53.673 53.050 -0.052 0.000 0.893 177 N CB 0.038 38.512 38.487 -0.021 0.000 0.980 177 N HN -0.004 nan 8.380 nan 0.000 0.439 178 V N 1.424 121.366 119.914 0.047 0.000 2.343 178 V HA -0.173 3.947 4.120 -0.001 0.000 0.247 178 V C 2.325 178.465 176.094 0.076 0.000 1.051 178 V CA 1.083 63.428 62.300 0.076 0.000 1.036 178 V CB -0.481 31.406 31.823 0.107 0.000 0.654 178 V HN 0.193 nan 8.190 nan 0.000 0.451 179 L N -0.316 120.962 121.223 0.091 0.000 2.056 179 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 179 L C 2.171 179.055 176.870 0.023 0.000 1.078 179 L CA 1.788 56.675 54.840 0.080 0.000 0.749 179 L CB -0.671 41.470 42.059 0.135 0.000 0.901 179 L HN 0.279 nan 8.230 nan 0.000 0.433 180 L N -0.079 121.136 121.223 -0.013 0.000 2.012 180 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 180 L C 2.580 179.441 176.870 -0.015 0.000 1.073 180 L CA 2.346 57.166 54.840 -0.034 0.000 0.748 180 L CB -0.774 41.245 42.059 -0.066 0.000 0.891 180 L HN 0.678 nan 8.230 nan 0.000 0.431 181 Q N -1.055 118.758 119.800 0.022 0.000 2.172 181 Q HA -0.184 4.155 4.340 -0.001 0.000 0.200 181 Q C 2.025 178.107 176.000 0.138 0.000 0.964 181 Q CA 1.957 57.807 55.803 0.079 0.000 0.855 181 Q CB -1.159 27.662 28.738 0.138 0.000 0.918 181 Q HN 0.459 nan 8.270 nan 0.000 0.444 182 L N 0.892 122.182 121.223 0.112 0.000 2.017 182 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 182 L C 1.928 178.878 176.870 0.134 0.000 1.073 182 L CA 2.475 57.395 54.840 0.132 0.000 0.745 182 L CB -1.007 41.109 42.059 0.095 0.000 0.894 182 L HN 0.342 nan 8.230 nan 0.000 0.432 183 T N -1.055 113.547 114.554 0.081 0.000 2.821 183 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 183 T C 1.722 176.473 174.700 0.085 0.000 1.046 183 T CA 1.386 63.527 62.100 0.068 0.000 1.139 183 T CB -0.160 68.722 68.868 0.024 0.000 0.871 183 T HN 0.327 nan 8.240 nan 0.000 0.454 184 E N 1.043 121.266 120.200 0.039 0.000 2.051 184 E HA -0.044 4.306 4.350 -0.001 0.000 0.192 184 E C 2.356 179.070 176.600 0.190 0.000 0.991 184 E CA 1.561 57.937 56.400 -0.041 0.000 0.799 184 E CB -0.885 28.606 29.700 -0.349 0.000 0.748 184 E HN 0.440 nan 8.360 nan 0.000 0.449 185 G N -0.073 108.936 108.800 0.349 0.000 2.402 185 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.216 185 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.216 185 G C 1.507 176.619 174.900 0.353 0.000 1.162 185 G CA 0.730 46.117 45.100 0.477 0.000 0.777 185 G HN 0.270 nan 8.290 nan 0.000 0.539 186 Q N -0.216 119.731 119.800 0.246 0.000 2.172 186 Q HA -0.055 4.284 4.340 -0.001 0.000 0.200 186 Q C 2.830 178.924 176.000 0.157 0.000 0.964 186 Q CA 1.424 57.334 55.803 0.178 0.000 0.855 186 Q CB -0.220 28.606 28.738 0.147 0.000 0.918 186 Q HN 0.412 nan 8.270 nan 0.000 0.444 187 T N 0.269 114.924 114.554 0.170 0.000 2.746 187 T HA -0.196 4.153 4.350 -0.001 0.000 0.267 187 T C 1.094 175.890 174.700 0.159 0.000 1.039 187 T CA 1.161 63.339 62.100 0.129 0.000 1.142 187 T CB -0.388 68.549 68.868 0.116 0.000 0.866 187 T HN 0.472 nan 8.240 nan 0.000 0.444 188 W N 1.549 122.935 121.300 0.143 0.000 2.355 188 W HA -0.050 4.609 4.660 -0.001 0.000 0.309 188 W C 1.823 178.454 176.519 0.187 0.000 1.206 188 W CA 0.931 58.435 57.345 0.265 0.000 1.284 188 W CB -0.439 29.240 29.460 0.365 0.000 1.145 188 W HN 0.146 nan 8.180 nan 0.000 0.502 189 L N 0.596 122.030 121.223 0.352 0.000 2.046 189 L HA -0.248 4.092 4.340 -0.001 0.000 0.208 189 L C 2.620 179.423 176.870 -0.111 0.000 1.077 189 L CA 1.868 56.742 54.840 0.057 0.000 0.747 189 L CB -0.946 41.084 42.059 -0.049 0.000 0.896 189 L HN -0.015 nan 8.230 nan 0.000 0.432 190 K N 0.036 120.391 120.400 -0.075 0.000 2.026 190 K HA -0.270 4.050 4.320 -0.001 0.000 0.208 190 K C 2.193 178.658 176.600 -0.225 0.000 1.048 190 K CA 1.696 57.914 56.287 -0.115 0.000 0.929 190 K CB -0.045 32.413 32.500 -0.070 0.000 0.713 190 K HN 0.260 nan 8.250 nan 0.000 0.439 191 Q N -0.801 118.793 119.800 -0.344 0.000 2.046 191 Q HA -0.153 4.187 4.340 -0.001 0.000 0.200 191 Q C 1.559 177.086 176.000 -0.787 0.000 0.975 191 Q CA 1.814 57.251 55.803 -0.610 0.000 0.836 191 Q CB 0.016 28.239 28.738 -0.857 0.000 0.896 191 Q HN 0.312 nan 8.270 nan 0.000 0.428 192 F N -1.456 118.132 119.950 -0.603 0.000 2.505 192 F HA 0.123 4.649 4.527 -0.001 0.000 0.289 192 F C 1.798 177.320 175.800 -0.463 0.000 1.101 192 F CA 0.311 57.907 58.000 -0.673 0.000 1.446 192 F CB 0.294 38.492 39.000 -1.337 0.000 1.123 192 F HN 0.104 nan 8.300 nan 0.000 0.564 193 M N -0.603 118.852 119.600 -0.241 0.000 2.337 193 M HA 0.181 4.660 4.480 -0.001 0.000 0.256 193 M C 0.292 176.574 176.300 -0.031 0.000 1.075 193 M CA 0.192 55.449 55.300 -0.072 0.000 1.024 193 M CB -1.047 31.534 32.600 -0.033 0.000 1.429 193 M HN 0.100 nan 8.290 nan 0.000 0.497 194 N N 1.786 120.434 118.700 -0.087 0.000 2.716 194 N HA -0.144 4.596 4.740 -0.001 0.000 0.250 194 N C -0.946 174.547 175.510 -0.028 0.000 1.033 194 N CA 0.723 53.736 53.050 -0.061 0.000 0.727 194 N CB -0.836 37.627 38.487 -0.039 0.000 0.950 194 N HN 0.326 nan 8.380 nan 0.000 0.541 195 V N -3.781 116.118 119.914 -0.025 0.000 3.049 195 V HA 0.863 4.983 4.120 -0.001 0.000 0.309 195 V C 0.015 176.096 176.094 -0.022 0.000 1.148 195 V CA -0.530 61.770 62.300 -0.001 0.000 0.990 195 V CB 2.380 34.248 31.823 0.074 0.000 1.039 195 V HN 0.051 nan 8.190 nan 0.000 0.430 196 T N 3.974 118.505 114.554 -0.038 0.000 2.930 196 T HA 0.571 4.920 4.350 -0.001 0.000 0.313 196 T C -2.742 171.877 174.700 -0.135 0.000 1.019 196 T CA -0.789 61.269 62.100 -0.070 0.000 1.004 196 T CB 1.330 70.148 68.868 -0.084 0.000 0.987 196 T HN 0.769 nan 8.240 nan 0.000 0.456 197 P HA 0.147 nan 4.420 nan 0.000 0.266 197 P C 0.866 177.783 177.300 -0.639 0.000 1.195 197 P CA -0.104 62.878 63.100 -0.197 0.000 0.768 197 P CB 0.520 32.217 31.700 -0.004 0.000 0.838 198 T N -1.558 112.677 114.554 -0.530 0.000 3.040 198 T HA 0.531 4.881 4.350 -0.001 0.000 0.266 198 T C 0.364 174.884 174.700 -0.300 0.000 1.005 198 T CA -0.270 61.399 62.100 -0.718 0.000 0.906 198 T CB 0.145 68.799 68.868 -0.358 0.000 1.082 198 T HN 0.407 nan 8.240 nan 0.000 0.531 199 A N 0.845 123.645 122.820 -0.034 0.000 2.342 199 A HA 0.799 5.118 4.320 -0.001 0.000 0.323 199 A C -0.157 177.695 177.584 0.446 0.000 1.125 199 A CA -0.703 51.466 52.037 0.221 0.000 0.785 199 A CB 1.803 20.948 19.000 0.243 0.000 1.221 199 A HN 0.263 nan 8.150 nan 0.000 0.463 200 S N 2.058 118.009 115.700 0.418 0.000 2.549 200 S HA 0.673 5.143 4.470 -0.001 0.000 0.297 200 S C -1.151 173.639 174.600 0.317 0.000 1.115 200 S CA -0.433 57.954 58.200 0.311 0.000 1.059 200 S CB 0.751 63.960 63.200 0.014 0.000 1.046 200 S HN 0.794 nan 8.310 nan 0.000 0.506 201 W N 4.587 125.905 121.300 0.029 0.000 2.499 201 W HA 0.635 5.295 4.660 -0.001 0.000 0.320 201 W C -1.493 174.976 176.519 -0.084 0.000 1.010 201 W CA -0.835 56.479 57.345 -0.051 0.000 1.267 201 W CB 1.163 30.566 29.460 -0.095 0.000 1.316 201 W HN 0.783 nan 8.180 nan 0.000 0.431 202 A N 7.906 130.565 122.820 -0.268 0.000 2.893 202 A HA 0.289 4.609 4.320 -0.001 0.000 0.333 202 A C 0.262 177.595 177.584 -0.419 0.000 1.152 202 A CA -0.477 51.412 52.037 -0.247 0.000 0.782 202 A CB -0.304 18.674 19.000 -0.037 0.000 1.108 202 A HN 0.705 nan 8.150 nan 0.000 0.469 203 I N -2.583 117.556 120.570 -0.717 0.000 3.603 203 I HA 0.266 4.435 4.170 -0.001 0.000 0.297 203 I C 0.841 176.633 176.117 -0.542 0.000 1.269 203 I CA 0.899 61.737 61.300 -0.770 0.000 1.361 203 I CB 0.391 37.673 38.000 -1.196 0.000 1.063 203 I HN 0.339 nan 8.210 nan 0.000 0.448 204 D N 0.381 120.418 120.400 -0.606 0.000 2.489 204 D HA 0.245 4.885 4.640 -0.001 0.000 0.231 204 D C -2.165 173.747 176.300 -0.646 0.000 1.114 204 D CA -0.677 52.973 54.000 -0.583 0.000 0.842 204 D CB 0.080 40.446 40.800 -0.724 0.000 1.133 204 D HN 0.188 nan 8.370 nan 0.000 0.506 205 P HA 0.059 nan 4.420 nan 0.000 0.268 205 P C -0.553 176.320 177.300 -0.712 0.000 1.208 205 P CA 0.012 62.613 63.100 -0.832 0.000 0.777 205 P CB 0.208 31.567 31.700 -0.569 0.000 0.875 206 F N 1.638 121.346 119.950 -0.404 0.000 2.467 206 F HA 0.566 5.093 4.527 -0.001 0.000 0.349 206 F C 1.380 177.092 175.800 -0.147 0.000 1.182 206 F CA -0.758 56.948 58.000 -0.491 0.000 1.279 206 F CB -1.028 37.801 39.000 -0.285 0.000 1.626 206 F HN 0.522 nan 8.300 nan 0.000 0.596 207 G N 1.243 109.767 108.800 -0.460 0.000 2.662 207 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.686 207 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.686 207 G C -1.505 173.015 174.900 -0.634 0.000 1.271 207 G CA -1.162 43.766 45.100 -0.287 0.000 0.816 207 G HN 0.624 nan 8.290 nan 0.000 0.608 208 H N -0.591 118.164 119.070 -0.525 0.000 2.717 208 H HA 0.739 5.295 4.556 -0.001 0.000 0.366 208 H C -0.384 174.821 175.328 -0.205 0.000 1.132 208 H CA 0.030 55.962 56.048 -0.193 0.000 1.180 208 H CB 2.037 31.840 29.762 0.068 0.000 1.678 208 H HN 0.681 nan 8.280 nan 0.000 0.537 209 S N 2.390 118.225 115.700 0.224 0.000 2.501 209 S HA 0.259 4.729 4.470 -0.001 0.000 0.301 209 S C -1.763 172.865 174.600 0.047 0.000 1.096 209 S CA -1.790 56.552 58.200 0.236 0.000 1.063 209 S CB 1.303 64.687 63.200 0.307 0.000 1.042 209 S HN 0.448 nan 8.310 nan 0.000 0.494 210 P HA 0.010 nan 4.420 nan 0.000 0.234 210 P C 1.103 178.146 177.300 -0.428 0.000 1.167 210 P CA 0.759 63.468 63.100 -0.652 0.000 0.763 210 P CB -0.258 31.218 31.700 -0.373 0.000 0.835 211 T N -0.149 114.290 114.554 -0.192 0.000 2.803 211 T HA -0.105 4.245 4.350 -0.001 0.000 0.269 211 T C 1.830 176.482 174.700 -0.080 0.000 1.052 211 T CA 1.216 63.244 62.100 -0.119 0.000 1.136 211 T CB -0.402 68.436 68.868 -0.050 0.000 0.864 211 T HN -0.005 nan 8.240 nan 0.000 0.467 212 M N 0.980 120.493 119.600 -0.145 0.000 2.059 212 M HA -0.010 4.469 4.480 -0.001 0.000 0.259 212 M C -0.590 175.572 176.300 -0.231 0.000 1.072 212 M CA 1.326 56.537 55.300 -0.149 0.000 1.117 212 M CB -2.575 29.964 32.600 -0.102 0.000 1.320 212 M HN 0.132 nan 8.290 nan 0.000 0.408 213 P HA -0.206 nan 4.420 nan 0.000 0.218 213 P C 1.691 178.864 177.300 -0.211 0.000 1.148 213 P CA 1.477 64.381 63.100 -0.326 0.000 0.822 213 P CB -0.453 30.951 31.700 -0.493 0.000 0.784 214 Y N 1.070 121.181 120.300 -0.315 0.000 2.081 214 Y HA -0.217 4.332 4.550 -0.001 0.000 0.280 214 Y C 2.426 178.240 175.900 -0.143 0.000 1.163 214 Y CA 1.738 59.716 58.100 -0.204 0.000 1.135 214 Y CB -0.991 37.364 38.460 -0.175 0.000 0.970 214 Y HN -0.229 nan 8.280 nan 0.000 0.498 215 I N -0.495 120.089 120.570 0.025 0.000 2.252 215 I HA -0.306 3.864 4.170 -0.001 0.000 0.245 215 I C 2.285 178.331 176.117 -0.119 0.000 1.102 215 I CA 1.171 62.454 61.300 -0.029 0.000 1.385 215 I CB -0.418 37.629 38.000 0.077 0.000 1.064 215 I HN 0.258 nan 8.210 nan 0.000 0.414 216 L N 0.098 121.202 121.223 -0.199 0.000 2.046 216 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 216 L C 2.690 179.541 176.870 -0.032 0.000 1.077 216 L CA 1.212 55.869 54.840 -0.304 0.000 0.747 216 L CB -0.699 40.983 42.059 -0.628 0.000 0.896 216 L HN 0.348 nan 8.230 nan 0.000 0.432 217 Q N 1.063 120.810 119.800 -0.088 0.000 2.224 217 Q HA -0.192 4.148 4.340 -0.001 0.000 0.203 217 Q C 1.683 177.641 176.000 -0.070 0.000 0.970 217 Q CA 1.457 57.229 55.803 -0.052 0.000 0.865 217 Q CB 0.134 28.811 28.738 -0.101 0.000 0.922 217 Q HN 0.468 nan 8.270 nan 0.000 0.445 218 K N -0.481 119.836 120.400 -0.138 0.000 2.444 218 K HA 0.108 4.428 4.320 -0.001 0.000 0.193 218 K C 0.640 177.201 176.600 -0.065 0.000 1.024 218 K CA 0.130 56.330 56.287 -0.145 0.000 1.077 218 K CB 0.524 32.865 32.500 -0.264 0.000 0.833 218 K HN -0.074 nan 8.250 nan 0.000 0.517 219 S N -0.219 115.497 115.700 0.027 0.000 2.741 219 S HA 0.209 4.679 4.470 -0.001 0.000 0.247 219 S C 0.766 175.463 174.600 0.161 0.000 1.050 219 S CA 0.087 58.350 58.200 0.104 0.000 1.025 219 S CB 1.282 64.585 63.200 0.172 0.000 0.897 219 S HN 0.521 nan 8.310 nan 0.000 0.508 220 G N 1.214 110.063 108.800 0.080 0.000 2.176 220 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.253 220 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.253 220 G C 0.000 174.875 174.900 -0.041 0.000 0.979 220 G CA -0.407 44.686 45.100 -0.012 0.000 0.641 220 G HN 0.445 nan 8.290 nan 0.000 0.530 221 F N 0.503 120.412 119.950 -0.068 0.000 2.450 221 F HA 0.546 5.072 4.527 -0.001 0.000 0.339 221 F C 1.629 177.369 175.800 -0.100 0.000 1.146 221 F CA 0.162 58.117 58.000 -0.075 0.000 1.267 221 F CB 0.864 39.823 39.000 -0.069 0.000 1.178 221 F HN -0.180 nan 8.300 nan 0.000 0.585 222 K N 0.773 121.188 120.400 0.024 0.000 2.425 222 K HA 0.254 4.573 4.320 -0.001 0.000 0.201 222 K C -0.377 176.159 176.600 -0.106 0.000 1.128 222 K CA 0.268 56.511 56.287 -0.073 0.000 1.000 222 K CB 0.295 32.704 32.500 -0.151 0.000 0.961 222 K HN 0.531 nan 8.250 nan 0.000 0.555 223 N N 0.739 119.359 118.700 -0.132 0.000 2.484 223 N HA 0.389 5.129 4.740 -0.001 0.000 0.269 223 N C -0.960 174.396 175.510 -0.257 0.000 1.237 223 N CA -0.407 52.398 53.050 -0.408 0.000 0.838 223 N CB 2.507 40.198 38.487 -1.327 0.000 1.593 223 N HN -0.077 nan 8.380 nan 0.000 0.485 224 M N -0.370 119.090 119.600 -0.233 0.000 2.569 224 M HA 0.626 5.106 4.480 -0.001 0.000 0.279 224 M C -1.982 174.380 176.300 0.103 0.000 1.253 224 M CA -0.944 54.346 55.300 -0.017 0.000 0.867 224 M CB 2.899 35.479 32.600 -0.033 0.000 1.727 224 M HN 0.470 nan 8.290 nan 0.000 0.467 225 L N 3.719 125.022 121.223 0.133 0.000 2.386 225 L HA 0.874 5.214 4.340 -0.001 0.000 0.271 225 L C -1.451 175.300 176.870 -0.199 0.000 0.993 225 L CA -0.734 54.143 54.840 0.062 0.000 0.819 225 L CB 1.982 44.123 42.059 0.137 0.000 1.294 225 L HN 0.944 nan 8.230 nan 0.000 0.414 226 I N 0.952 121.315 120.570 -0.345 0.000 3.042 226 I HA 0.614 4.784 4.170 -0.001 0.000 0.310 226 I C -0.693 175.124 176.117 -0.500 0.000 1.117 226 I CA -0.574 60.332 61.300 -0.656 0.000 1.003 226 I CB 2.252 39.580 38.000 -1.120 0.000 1.228 226 I HN 0.731 nan 8.210 nan 0.000 0.443 227 Q N 2.096 121.665 119.800 -0.385 0.000 2.563 227 Q HA 0.338 4.677 4.340 -0.001 0.000 0.236 227 Q C 0.032 175.931 176.000 -0.169 0.000 0.792 227 Q CA 0.434 56.091 55.803 -0.243 0.000 0.960 227 Q CB 0.611 29.199 28.738 -0.249 0.000 1.304 227 Q HN 0.659 nan 8.270 nan 0.000 0.566 228 R N 2.053 122.473 120.500 -0.133 0.000 2.608 228 R HA 0.332 4.671 4.340 -0.001 0.000 0.277 228 R C -0.669 175.380 176.300 -0.419 0.000 1.341 228 R CA 0.529 56.300 56.100 -0.547 0.000 1.199 228 R CB 0.237 29.848 30.300 -1.149 0.000 1.156 228 R HN 0.386 nan 8.270 nan 0.000 0.558 229 T N -2.465 112.071 114.554 -0.031 0.000 2.924 229 T HA 0.135 4.485 4.350 -0.001 0.000 0.291 229 T C 0.031 174.995 174.700 0.440 0.000 1.045 229 T CA -0.885 61.325 62.100 0.184 0.000 1.015 229 T CB 1.753 70.568 68.868 -0.090 0.000 1.103 229 T HN 0.423 nan 8.240 nan 0.000 0.496 230 H N 2.015 121.300 119.070 0.359 0.000 3.094 230 H HA -0.049 4.507 4.556 -0.001 0.000 0.320 230 H C 1.094 176.473 175.328 0.085 0.000 1.000 230 H CA 0.534 56.684 56.048 0.170 0.000 1.413 230 H CB 0.314 30.200 29.762 0.207 0.000 1.405 230 H HN 0.930 nan 8.280 nan 0.000 0.586 231 Y N 2.408 122.808 120.300 0.167 0.000 2.241 231 Y HA -0.196 4.353 4.550 -0.001 0.000 0.286 231 Y C 2.160 178.227 175.900 0.278 0.000 1.166 231 Y CA 1.049 59.278 58.100 0.216 0.000 1.203 231 Y CB -0.653 37.870 38.460 0.105 0.000 0.977 231 Y HN 0.293 nan 8.280 nan 0.000 0.529 232 S N 0.248 115.981 115.700 0.056 0.000 2.406 232 S HA -0.103 4.367 4.470 -0.001 0.000 0.228 232 S C 2.077 176.593 174.600 -0.140 0.000 1.020 232 S CA 1.070 59.194 58.200 -0.126 0.000 0.965 232 S CB -0.500 62.402 63.200 -0.496 0.000 0.798 232 S HN 0.371 nan 8.310 nan 0.000 0.488 233 V N 2.011 121.902 119.914 -0.039 0.000 2.307 233 V HA -0.172 3.947 4.120 -0.001 0.000 0.245 233 V C 2.239 178.368 176.094 0.059 0.000 1.045 233 V CA 1.600 63.911 62.300 0.018 0.000 1.024 233 V CB -0.514 31.421 31.823 0.187 0.000 0.651 233 V HN 0.404 nan 8.190 nan 0.000 0.449 234 K N 0.113 120.590 120.400 0.129 0.000 2.074 234 K HA -0.265 4.054 4.320 -0.001 0.000 0.209 234 K C 2.276 179.008 176.600 0.221 0.000 1.048 234 K CA 1.920 58.302 56.287 0.159 0.000 0.926 234 K CB -0.250 32.402 32.500 0.254 0.000 0.713 234 K HN 0.353 nan 8.250 nan 0.000 0.444 235 K N 1.120 121.649 120.400 0.214 0.000 2.026 235 K HA -0.231 4.088 4.320 -0.001 0.000 0.208 235 K C 2.145 178.841 176.600 0.160 0.000 1.048 235 K CA 1.752 58.174 56.287 0.225 0.000 0.929 235 K CB 0.044 32.605 32.500 0.101 0.000 0.713 235 K HN -0.003 nan 8.250 nan 0.000 0.439 236 E N 0.811 121.025 120.200 0.023 0.000 2.051 236 E HA -0.144 4.206 4.350 -0.001 0.000 0.192 236 E C 1.939 178.533 176.600 -0.011 0.000 0.991 236 E CA 1.350 57.722 56.400 -0.045 0.000 0.799 236 E CB -0.149 29.475 29.700 -0.127 0.000 0.748 236 E HN 0.334 nan 8.360 nan 0.000 0.449 237 L N -0.154 121.072 121.223 0.006 0.000 2.093 237 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 237 L C 2.520 179.410 176.870 0.032 0.000 1.085 237 L CA 0.900 55.737 54.840 -0.005 0.000 0.755 237 L CB -0.578 41.462 42.059 -0.032 0.000 0.904 237 L HN 0.217 nan 8.230 nan 0.000 0.435 238 A N -0.218 122.674 122.820 0.121 0.000 1.902 238 A HA -0.252 4.068 4.320 -0.001 0.000 0.217 238 A C 2.216 179.989 177.584 0.314 0.000 1.181 238 A CA 1.498 53.665 52.037 0.216 0.000 0.623 238 A CB -0.471 18.814 19.000 0.475 0.000 0.818 238 A HN 0.456 nan 8.150 nan 0.000 0.443 239 Q N -0.985 118.953 119.800 0.231 0.000 2.234 239 Q HA -0.163 4.176 4.340 -0.001 0.000 0.206 239 Q C 1.347 177.340 176.000 -0.012 0.000 0.980 239 Q CA 1.328 57.113 55.803 -0.030 0.000 0.869 239 Q CB -0.029 28.560 28.738 -0.248 0.000 0.912 239 Q HN 0.601 nan 8.270 nan 0.000 0.436 240 Q N -0.297 119.507 119.800 0.008 0.000 2.247 240 Q HA 0.146 4.486 4.340 -0.001 0.000 0.204 240 Q C -0.419 175.596 176.000 0.026 0.000 0.872 240 Q CA -0.023 55.779 55.803 -0.000 0.000 0.951 240 Q CB 0.701 29.428 28.738 -0.018 0.000 1.099 240 Q HN 0.278 nan 8.270 nan 0.000 0.501 241 R N 0.852 121.373 120.500 0.035 0.000 3.322 241 R HA -0.213 4.127 4.340 -0.001 0.000 0.253 241 R C -0.147 176.183 176.300 0.049 0.000 0.987 241 R CA 0.474 56.585 56.100 0.018 0.000 0.666 241 R CB -1.927 28.409 30.300 0.060 0.000 1.072 241 R HN 0.382 nan 8.270 nan 0.000 0.447 242 Q N 0.071 119.889 119.800 0.030 0.000 2.186 242 Q HA 0.196 4.535 4.340 -0.001 0.000 0.241 242 Q C 1.186 177.262 176.000 0.126 0.000 0.849 242 Q CA -0.230 55.625 55.803 0.086 0.000 1.053 242 Q CB 0.533 29.287 28.738 0.027 0.000 1.146 242 Q HN 0.441 nan 8.270 nan 0.000 0.475 243 L N 0.049 121.281 121.223 0.015 0.000 2.418 243 L HA 0.046 4.386 4.340 -0.001 0.000 0.218 243 L C 0.310 177.173 176.870 -0.012 0.000 1.125 243 L CA 0.917 55.740 54.840 -0.028 0.000 0.835 243 L CB 0.314 42.167 42.059 -0.343 0.000 0.953 243 L HN 0.188 nan 8.230 nan 0.000 0.454 244 E N 0.239 120.475 120.200 0.060 0.000 2.158 244 E HA 0.518 4.868 4.350 -0.001 0.000 0.271 244 E C -1.212 175.307 176.600 -0.135 0.000 0.911 244 E CA -0.534 55.708 56.400 -0.263 0.000 0.767 244 E CB 1.494 31.168 29.700 -0.044 0.000 1.120 244 E HN 0.005 nan 8.360 nan 0.000 0.405 245 F N -0.277 119.416 119.950 -0.429 0.000 2.668 245 F HA 0.461 4.987 4.527 -0.001 0.000 0.309 245 F C -1.531 174.157 175.800 -0.186 0.000 1.117 245 F CA -1.394 56.499 58.000 -0.179 0.000 0.951 245 F CB 0.761 39.688 39.000 -0.121 0.000 1.323 245 F HN 0.159 nan 8.300 nan 0.000 0.451 246 L N 2.715 124.092 121.223 0.257 0.000 2.282 246 L HA 0.163 4.502 4.340 -0.001 0.000 0.287 246 L C -1.052 176.043 176.870 0.375 0.000 1.075 246 L CA -0.199 54.788 54.840 0.245 0.000 0.839 246 L CB 0.414 42.619 42.059 0.243 0.000 1.219 246 L HN 0.587 nan 8.230 nan 0.000 0.434 247 W N 6.825 128.229 121.300 0.173 0.000 2.387 247 W HA 0.329 4.989 4.660 -0.001 0.000 0.310 247 W C 0.248 176.793 176.519 0.043 0.000 1.181 247 W CA -1.288 56.179 57.345 0.204 0.000 1.333 247 W CB 0.432 30.052 29.460 0.268 0.000 1.286 247 W HN 0.510 nan 8.180 nan 0.000 0.455 248 R N 3.745 124.418 120.500 0.288 0.000 2.758 248 R HA 0.539 4.879 4.340 -0.001 0.000 0.265 248 R C -0.064 176.144 176.300 -0.153 0.000 1.016 248 R CA -0.917 55.181 56.100 -0.003 0.000 1.040 248 R CB 1.063 31.345 30.300 -0.031 0.000 1.152 248 R HN 0.241 nan 8.270 nan 0.000 0.503 249 Q N 1.326 120.881 119.800 -0.408 0.000 2.421 249 Q HA 0.055 4.395 4.340 -0.001 0.000 0.255 249 Q C 1.472 177.076 176.000 -0.661 0.000 1.013 249 Q CA 0.106 55.464 55.803 -0.741 0.000 0.895 249 Q CB 0.806 28.641 28.738 -1.505 0.000 1.271 249 Q HN 0.848 nan 8.270 nan 0.000 0.460 250 I N -2.080 118.201 120.570 -0.482 0.000 2.567 250 I HA -0.154 4.015 4.170 -0.001 0.000 0.257 250 I C 1.286 177.336 176.117 -0.112 0.000 1.184 250 I CA 1.301 62.484 61.300 -0.194 0.000 1.451 250 I CB -0.358 37.629 38.000 -0.023 0.000 1.089 250 I HN 0.675 nan 8.210 nan 0.000 0.441 251 W N 1.311 122.667 121.300 0.093 0.000 3.220 251 W HA 0.371 5.031 4.660 -0.000 0.000 0.328 251 W C 0.206 176.801 176.519 0.127 0.000 1.205 251 W CA -0.711 56.751 57.345 0.194 0.000 1.773 251 W CB -0.691 28.980 29.460 0.352 0.000 1.086 251 W HN -0.066 nan 8.180 nan 0.000 0.622 252 D N 1.910 122.069 120.400 -0.402 0.000 2.422 252 D HA -0.022 4.617 4.640 -0.001 0.000 0.227 252 D C 1.025 177.302 176.300 -0.038 0.000 1.190 252 D CA 0.172 54.054 54.000 -0.197 0.000 0.905 252 D CB 0.298 40.882 40.800 -0.359 0.000 1.034 252 D HN 0.091 nan 8.370 nan 0.000 0.507 253 N N 3.753 122.491 118.700 0.065 0.000 2.216 253 N HA -0.142 4.598 4.740 -0.001 0.000 0.183 253 N C 1.445 176.975 175.510 0.034 0.000 1.017 253 N CA 1.181 54.262 53.050 0.050 0.000 0.861 253 N CB 0.146 38.684 38.487 0.084 0.000 0.986 253 N HN 0.337 nan 8.380 nan 0.000 0.428 254 K N -1.304 119.121 120.400 0.042 0.000 2.137 254 K HA 0.091 4.410 4.320 -0.001 0.000 0.202 254 K C 0.630 177.244 176.600 0.024 0.000 1.052 254 K CA 1.003 57.311 56.287 0.035 0.000 0.961 254 K CB 0.036 32.562 32.500 0.043 0.000 0.741 254 K HN 0.260 nan 8.250 nan 0.000 0.452 255 G N 1.498 110.305 108.800 0.011 0.000 2.148 255 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.203 255 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.203 255 G C 0.088 174.991 174.900 0.005 0.000 0.993 255 G CA 0.503 45.607 45.100 0.005 0.000 0.661 255 G HN 0.559 nan 8.290 nan 0.000 0.518 256 D N 0.471 120.876 120.400 0.007 0.000 2.310 256 D HA 0.000 4.640 4.640 -0.001 0.000 0.212 256 D C 2.260 178.549 176.300 -0.018 0.000 0.965 256 D CA 1.678 55.680 54.000 0.003 0.000 0.879 256 D CB -0.522 40.287 40.800 0.015 0.000 0.921 256 D HN 0.635 nan 8.370 nan 0.000 0.510 257 T N -2.701 111.833 114.554 -0.034 0.000 3.100 257 T HA 0.335 4.685 4.350 -0.001 0.000 0.253 257 T C 1.041 175.702 174.700 -0.064 0.000 1.118 257 T CA -0.137 61.922 62.100 -0.068 0.000 1.058 257 T CB -0.337 68.474 68.868 -0.095 0.000 0.953 257 T HN 0.237 nan 8.240 nan 0.000 0.515 258 A N 1.396 124.204 122.820 -0.021 0.000 2.498 258 A HA 0.559 4.879 4.320 -0.001 0.000 0.239 258 A C -0.289 177.314 177.584 0.032 0.000 1.068 258 A CA -0.341 51.713 52.037 0.029 0.000 0.766 258 A CB -0.088 18.955 19.000 0.071 0.000 1.003 258 A HN 0.543 nan 8.150 nan 0.000 0.497 259 L N 2.550 123.812 121.223 0.065 0.000 2.409 259 L HA 0.556 4.895 4.340 -0.001 0.000 0.272 259 L C -0.649 176.278 176.870 0.096 0.000 0.980 259 L CA -0.557 54.316 54.840 0.056 0.000 0.826 259 L CB 1.463 43.519 42.059 -0.006 0.000 1.268 259 L HN 0.663 nan 8.230 nan 0.000 0.407 260 F N 3.798 123.707 119.950 -0.067 0.000 2.578 260 F HA 0.369 4.895 4.527 -0.001 0.000 0.381 260 F C 0.046 175.727 175.800 -0.198 0.000 1.069 260 F CA 0.839 58.764 58.000 -0.125 0.000 1.231 260 F CB 0.418 39.360 39.000 -0.096 0.000 1.086 260 F HN 0.556 nan 8.300 nan 0.000 0.564 261 T N 5.367 119.364 114.554 -0.929 0.000 2.848 261 T HA 0.198 4.547 4.350 -0.001 0.000 0.285 261 T C -1.611 172.459 174.700 -1.050 0.000 0.995 261 T CA -0.478 61.147 62.100 -0.791 0.000 0.970 261 T CB 0.883 69.274 68.868 -0.795 0.000 0.976 261 T HN 0.606 nan 8.240 nan 0.000 0.441 262 H N 2.894 121.662 119.070 -0.504 0.000 2.541 262 H HA 0.618 5.173 4.556 -0.001 0.000 0.316 262 H C -0.384 174.759 175.328 -0.308 0.000 1.043 262 H CA -0.737 55.132 56.048 -0.298 0.000 1.232 262 H CB 0.729 30.534 29.762 0.073 0.000 1.406 262 H HN 0.474 nan 8.280 nan 0.000 0.469 263 M N 6.977 126.248 119.600 -0.548 0.000 2.113 263 M HA 0.287 4.767 4.480 -0.001 0.000 0.352 263 M C -0.886 175.162 176.300 -0.420 0.000 1.170 263 M CA -0.582 54.469 55.300 -0.414 0.000 1.053 263 M CB 0.647 33.059 32.600 -0.313 0.000 1.601 263 M HN 0.676 nan 8.290 nan 0.000 0.459 264 M N 6.831 126.283 119.600 -0.247 0.000 2.248 264 M HA 0.171 4.651 4.480 -0.001 0.000 0.337 264 M C -1.592 174.577 176.300 -0.218 0.000 1.121 264 M CA -1.117 54.084 55.300 -0.164 0.000 1.155 264 M CB 0.340 32.862 32.600 -0.129 0.000 1.514 264 M HN 0.480 nan 8.290 nan 0.000 0.452 265 P HA 0.128 nan 4.420 nan 0.000 0.245 265 P C -0.366 176.761 177.300 -0.288 0.000 1.199 265 P CA 0.849 63.653 63.100 -0.493 0.000 0.807 265 P CB 0.397 31.497 31.700 -1.000 0.000 1.002 266 F N -1.805 118.150 119.950 0.008 0.000 2.611 266 F HA 0.303 4.830 4.527 -0.001 0.000 0.374 266 F C 1.993 177.874 175.800 0.134 0.000 1.110 266 F CA -1.438 56.602 58.000 0.067 0.000 1.090 266 F CB -0.848 38.128 39.000 -0.039 0.000 1.388 266 F HN -0.315 nan 8.300 nan 0.000 0.501 267 Y N 0.033 120.476 120.300 0.239 0.000 2.373 267 Y HA 0.135 4.684 4.550 -0.001 0.000 0.293 267 Y C 0.870 176.685 175.900 -0.141 0.000 1.129 267 Y CA 1.345 59.445 58.100 0.000 0.000 1.226 267 Y CB 0.085 38.453 38.460 -0.153 0.000 1.000 267 Y HN 0.348 nan 8.280 nan 0.000 0.549 268 S N -1.690 113.824 115.700 -0.310 0.000 2.618 268 S HA 0.254 4.724 4.470 -0.001 0.000 0.277 268 S C -0.321 174.178 174.600 -0.169 0.000 1.138 268 S CA -0.398 57.517 58.200 -0.475 0.000 0.844 268 S CB 0.351 63.207 63.200 -0.574 0.000 1.127 268 S HN 0.304 nan 8.310 nan 0.000 0.474 269 Y N 0.818 121.068 120.300 -0.084 0.000 2.490 269 Y HA 0.293 4.842 4.550 -0.001 0.000 0.281 269 Y C 0.463 176.449 175.900 0.143 0.000 1.174 269 Y CA -0.527 57.558 58.100 -0.024 0.000 1.295 269 Y CB -1.051 37.307 38.460 -0.169 0.000 1.062 269 Y HN 0.545 nan 8.280 nan 0.000 0.522 270 D N 0.665 121.066 120.400 0.003 0.000 2.371 270 D HA -0.023 4.616 4.640 -0.001 0.000 0.242 270 D C 1.226 177.659 176.300 0.220 0.000 1.218 270 D CA -0.388 53.714 54.000 0.169 0.000 0.945 270 D CB 0.809 41.669 40.800 0.099 0.000 1.137 270 D HN 0.248 nan 8.370 nan 0.000 0.464 271 I N -0.218 120.460 120.570 0.180 0.000 2.226 271 I HA -0.144 4.026 4.170 -0.001 0.000 0.245 271 I C -0.756 175.404 176.117 0.070 0.000 1.100 271 I CA 0.819 62.208 61.300 0.150 0.000 1.374 271 I CB -1.157 36.920 38.000 0.127 0.000 1.057 271 I HN 0.343 nan 8.210 nan 0.000 0.413 272 P HA -0.165 nan 4.420 nan 0.000 0.219 272 P C 0.607 177.613 177.300 -0.490 0.000 1.146 272 P CA 1.620 64.548 63.100 -0.287 0.000 0.808 272 P CB -0.118 31.406 31.700 -0.293 0.000 0.779 273 H N -2.975 116.095 119.070 -0.000 0.000 2.486 273 H HA 0.217 4.773 4.556 -0.001 0.000 0.284 273 H C 0.933 176.360 175.328 0.165 0.000 1.103 273 H CA 0.639 56.700 56.048 0.023 0.000 1.089 273 H CB -0.230 29.607 29.762 0.126 0.000 1.603 273 H HN 0.120 nan 8.280 nan 0.000 0.557 274 T N -4.313 110.358 114.554 0.195 0.000 2.986 274 T HA -0.026 4.324 4.350 -0.001 0.000 0.264 274 T C 1.809 176.630 174.700 0.202 0.000 0.964 274 T CA 0.359 62.598 62.100 0.232 0.000 0.895 274 T CB -0.698 68.297 68.868 0.213 0.000 1.163 274 T HN 0.506 nan 8.240 nan 0.000 0.517 275 c N 1.626 120.318 118.600 0.153 0.000 2.495 275 c HA 0.705 5.275 4.570 -0.001 0.000 0.275 275 c C 1.333 175.546 174.090 0.205 0.000 1.392 275 c CA 0.406 56.863 56.329 0.213 0.000 1.766 275 c CB -1.155 41.435 42.510 0.133 0.000 1.933 275 c HN 0.891 nan 8.230 nan 0.000 0.519 276 G N -0.377 108.474 108.800 0.086 0.000 2.324 276 G HA2 0.374 4.334 3.960 -0.001 0.000 0.293 276 G HA3 0.374 4.334 3.960 -0.001 0.000 0.293 276 G C -2.721 171.825 174.900 -0.589 0.000 1.297 276 G CA 0.214 45.299 45.100 -0.026 0.000 0.853 276 G HN -0.104 nan 8.290 nan 0.000 0.535 277 P HA 0.089 nan 4.420 nan 0.000 0.229 277 P C -0.100 176.779 177.300 -0.702 0.000 1.160 277 P CA 1.027 63.438 63.100 -1.149 0.000 0.777 277 P CB 0.370 31.721 31.700 -0.581 0.000 0.814 278 D N 0.898 121.008 120.400 -0.485 0.000 2.454 278 D HA 0.141 4.781 4.640 -0.001 0.000 0.225 278 D C -1.499 174.465 176.300 -0.559 0.000 1.081 278 D CA -2.598 51.157 54.000 -0.408 0.000 0.864 278 D CB 1.325 41.971 40.800 -0.258 0.000 1.040 278 D HN 0.001 nan 8.370 nan 0.000 0.517 279 P HA -0.126 nan 4.420 nan 0.000 0.223 279 P C 1.243 177.738 177.300 -1.343 0.000 1.151 279 P CA 0.637 63.005 63.100 -1.220 0.000 0.787 279 P CB 0.504 31.186 31.700 -1.697 0.000 0.788 280 K N 0.370 120.106 120.400 -1.108 0.000 2.147 280 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 280 K C 1.786 178.204 176.600 -0.304 0.000 1.049 280 K CA 1.222 57.167 56.287 -0.569 0.000 0.936 280 K CB -0.280 32.072 32.500 -0.246 0.000 0.722 280 K HN -0.072 nan 8.250 nan 0.000 0.446 281 V N 0.372 120.116 119.914 -0.285 0.000 2.379 281 V HA -0.235 3.885 4.120 -0.001 0.000 0.243 281 V C 2.417 178.481 176.094 -0.049 0.000 1.035 281 V CA 1.424 63.649 62.300 -0.124 0.000 1.035 281 V CB -0.334 31.433 31.823 -0.094 0.000 0.673 281 V HN 0.484 nan 8.190 nan 0.000 0.457 282 c N -0.685 117.812 118.600 -0.172 0.000 2.422 282 c HA -0.198 4.372 4.570 -0.001 0.000 0.279 282 c C 2.986 177.044 174.090 -0.053 0.000 1.305 282 c CA 0.779 57.068 56.329 -0.068 0.000 1.757 282 c CB -1.516 40.881 42.510 -0.189 0.000 1.962 282 c HN 0.762 nan 8.230 nan 0.000 0.499 283 c N 0.883 119.366 118.600 -0.195 0.000 2.419 283 c HA -0.144 4.425 4.570 -0.001 0.000 0.281 283 c C 2.616 176.602 174.090 -0.173 0.000 1.336 283 c CA 1.220 57.484 56.329 -0.108 0.000 1.770 283 c CB -1.457 41.065 42.510 0.021 0.000 1.929 283 c HN 0.641 nan 8.230 nan 0.000 0.509 284 Q N -1.325 118.320 119.800 -0.257 0.000 2.488 284 Q HA -0.026 4.314 4.340 -0.001 0.000 0.211 284 Q C 0.677 176.024 176.000 -1.087 0.000 0.967 284 Q CA 1.031 56.493 55.803 -0.568 0.000 0.926 284 Q CB -0.034 28.349 28.738 -0.592 0.000 0.992 284 Q HN 0.747 nan 8.270 nan 0.000 0.506 285 F N -0.312 119.343 119.950 -0.492 0.000 2.668 285 F HA 0.171 4.698 4.527 -0.000 0.000 0.301 285 F C 0.211 175.736 175.800 -0.457 0.000 1.106 285 F CA -0.591 57.020 58.000 -0.648 0.000 1.289 285 F CB 0.788 39.648 39.000 -0.233 0.000 1.006 285 F HN -0.146 nan 8.300 nan 0.000 0.535 286 D N 0.086 120.275 120.400 -0.351 0.000 2.467 286 D HA 0.140 4.780 4.640 -0.001 0.000 0.220 286 D C 0.444 176.582 176.300 -0.270 0.000 1.103 286 D CA -0.323 53.584 54.000 -0.155 0.000 0.886 286 D CB 0.145 40.908 40.800 -0.062 0.000 1.025 286 D HN 0.084 nan 8.370 nan 0.000 0.514 287 F N 1.780 121.737 119.950 0.011 0.000 2.802 287 F HA 0.113 4.640 4.527 -0.001 0.000 0.300 287 F C 2.331 178.085 175.800 -0.076 0.000 1.168 287 F CA 0.248 58.230 58.000 -0.031 0.000 1.433 287 F CB 0.106 39.108 39.000 0.003 0.000 1.115 287 F HN 0.262 nan 8.300 nan 0.000 0.582 288 K N 0.707 121.056 120.400 -0.084 0.000 2.486 288 K HA 0.032 4.352 4.320 -0.001 0.000 0.194 288 K C 1.116 177.690 176.600 -0.045 0.000 1.033 288 K CA 0.345 56.452 56.287 -0.301 0.000 1.004 288 K CB 0.116 32.288 32.500 -0.546 0.000 0.798 288 K HN 0.201 nan 8.250 nan 0.000 0.495 289 R N 0.039 120.534 120.500 -0.009 0.000 2.586 289 R HA 0.191 4.531 4.340 -0.001 0.000 0.306 289 R C 0.913 177.240 176.300 0.045 0.000 1.079 289 R CA -0.161 55.953 56.100 0.024 0.000 1.083 289 R CB 0.220 30.512 30.300 -0.013 0.000 1.306 289 R HN 0.189 nan 8.270 nan 0.000 0.567 290 M N -1.059 118.601 119.600 0.101 0.000 2.556 290 M HA 0.164 4.643 4.480 -0.001 0.000 0.245 290 M C 1.182 177.520 176.300 0.064 0.000 1.128 290 M CA 0.829 56.172 55.300 0.073 0.000 1.069 290 M CB 0.854 33.506 32.600 0.088 0.000 1.469 290 M HN 0.486 nan 8.290 nan 0.000 0.494 291 G N -0.123 108.730 108.800 0.089 0.000 3.465 291 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.196 291 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.196 291 G C 1.002 175.915 174.900 0.022 0.000 1.170 291 G CA 0.236 45.363 45.100 0.045 0.000 0.887 291 G HN 0.398 nan 8.290 nan 0.000 0.444 292 S N 0.284 115.966 115.700 -0.030 0.000 2.474 292 S HA 0.194 4.664 4.470 -0.001 0.000 0.235 292 S C 1.734 176.166 174.600 -0.280 0.000 0.997 292 S CA 1.509 59.596 58.200 -0.189 0.000 0.949 292 S CB -0.418 62.590 63.200 -0.320 0.000 0.766 292 S HN 0.339 nan 8.310 nan 0.000 0.517 293 F N 1.962 121.907 119.950 -0.008 0.000 2.765 293 F HA 0.423 4.950 4.527 -0.001 0.000 0.302 293 F C 1.877 177.673 175.800 -0.008 0.000 1.111 293 F CA -0.103 57.890 58.000 -0.011 0.000 1.359 293 F CB -0.245 38.746 39.000 -0.015 0.000 1.097 293 F HN 0.360 nan 8.300 nan 0.000 0.577 294 G N 1.173 110.044 108.800 0.119 0.000 2.160 294 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.251 294 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.251 294 G C -0.101 174.846 174.900 0.080 0.000 1.008 294 G CA 0.153 45.297 45.100 0.074 0.000 0.724 294 G HN 0.325 nan 8.290 nan 0.000 0.514 295 L N -0.027 121.256 121.223 0.101 0.000 2.323 295 L HA 0.876 5.216 4.340 -0.001 0.000 0.265 295 L C 0.502 177.403 176.870 0.052 0.000 1.012 295 L CA -0.414 54.468 54.840 0.070 0.000 0.820 295 L CB 2.346 44.444 42.059 0.066 0.000 1.334 295 L HN 0.444 nan 8.230 nan 0.000 0.427 296 S N -0.817 114.901 115.700 0.031 0.000 2.671 296 S HA 0.539 5.009 4.470 -0.001 0.000 0.277 296 S C -1.233 173.380 174.600 0.022 0.000 1.165 296 S CA -0.812 57.398 58.200 0.018 0.000 0.822 296 S CB 1.606 64.807 63.200 0.001 0.000 1.150 296 S HN 0.529 nan 8.310 nan 0.000 0.479 297 c N 3.013 121.632 118.600 0.031 0.000 2.265 297 c HA 0.547 5.117 4.570 -0.001 0.000 0.332 297 c C -1.082 173.002 174.090 -0.012 0.000 1.248 297 c CA -1.149 55.239 56.329 0.099 0.000 1.727 297 c CB 0.747 43.352 42.510 0.159 0.000 2.348 297 c HN 0.763 nan 8.230 nan 0.000 0.519 298 P HA -0.079 nan 4.420 nan 0.000 0.226 298 P C 1.125 178.138 177.300 -0.479 0.000 1.153 298 P CA 1.229 64.048 63.100 -0.468 0.000 0.777 298 P CB 0.060 31.299 31.700 -0.767 0.000 0.794 299 W N 0.484 121.760 121.300 -0.040 0.000 3.180 299 W HA 0.166 4.826 4.660 -0.000 0.000 0.254 299 W C 0.653 177.144 176.519 -0.047 0.000 1.318 299 W CA 0.130 57.447 57.345 -0.047 0.000 1.608 299 W CB -0.522 28.901 29.460 -0.061 0.000 1.124 299 W HN 0.132 nan 8.180 nan 0.000 0.694 300 K N -1.112 119.344 120.400 0.094 0.000 3.467 300 K HA -0.173 4.147 4.320 -0.001 0.000 0.309 300 K C -0.418 176.204 176.600 0.037 0.000 1.350 300 K CA 0.484 56.793 56.287 0.036 0.000 0.934 300 K CB -1.944 30.564 32.500 0.014 0.000 1.312 300 K HN -0.118 nan 8.250 nan 0.000 0.461 301 V N 1.801 121.749 119.914 0.057 0.000 2.378 301 V HA 0.338 4.458 4.120 -0.001 0.000 0.288 301 V C -1.799 174.280 176.094 -0.025 0.000 1.016 301 V CA -1.563 60.739 62.300 0.005 0.000 0.840 301 V CB 1.349 33.166 31.823 -0.011 0.000 0.994 301 V HN -0.035 nan 8.190 nan 0.000 0.431 302 P HA 0.427 nan 4.420 nan 0.000 0.278 302 P C -2.836 174.371 177.300 -0.155 0.000 1.258 302 P CA -2.085 60.971 63.100 -0.073 0.000 0.811 302 P CB 0.334 32.006 31.700 -0.046 0.000 1.063 303 P HA 0.276 nan 4.420 nan 0.000 0.272 303 P C -0.354 176.843 177.300 -0.172 0.000 1.230 303 P CA 0.081 62.976 63.100 -0.342 0.000 0.788 303 P CB 0.643 32.076 31.700 -0.445 0.000 0.949 304 R N 0.133 120.540 120.500 -0.155 0.000 2.621 304 R HA 0.405 4.744 4.340 -0.001 0.000 0.292 304 R C -0.343 176.012 176.300 0.091 0.000 0.969 304 R CA -0.679 55.403 56.100 -0.030 0.000 0.887 304 R CB 1.363 31.623 30.300 -0.067 0.000 1.180 304 R HN 0.352 nan 8.270 nan 0.000 0.450 305 T N 3.912 118.517 114.554 0.085 0.000 2.905 305 T HA 0.016 4.365 4.350 -0.001 0.000 0.299 305 T C 0.778 175.473 174.700 -0.008 0.000 1.024 305 T CA 0.167 62.294 62.100 0.044 0.000 1.151 305 T CB 0.099 68.971 68.868 0.008 0.000 0.987 305 T HN 0.195 nan 8.240 nan 0.000 0.535 306 I N 4.043 124.565 120.570 -0.081 0.000 2.496 306 I HA 0.227 4.397 4.170 -0.001 0.000 0.285 306 I C 1.015 177.086 176.117 -0.076 0.000 1.080 306 I CA 0.096 61.345 61.300 -0.085 0.000 1.404 306 I CB 0.109 38.020 38.000 -0.148 0.000 1.403 306 I HN 0.770 nan 8.210 nan 0.000 0.539 307 S N 3.792 119.457 115.700 -0.058 0.000 2.667 307 S HA 0.442 4.911 4.470 -0.001 0.000 0.292 307 S C 0.371 174.943 174.600 -0.047 0.000 1.126 307 S CA -0.756 57.418 58.200 -0.044 0.000 0.881 307 S CB 2.124 65.305 63.200 -0.032 0.000 1.132 307 S HN 0.496 nan 8.310 nan 0.000 0.492 308 D N 0.720 121.102 120.400 -0.030 0.000 2.221 308 D HA -0.063 4.576 4.640 -0.001 0.000 0.204 308 D C 1.533 177.812 176.300 -0.034 0.000 0.982 308 D CA 1.473 55.458 54.000 -0.025 0.000 0.857 308 D CB -0.247 40.553 40.800 -0.001 0.000 0.934 308 D HN 0.552 nan 8.370 nan 0.000 0.475 309 Q N -0.065 119.718 119.800 -0.030 0.000 2.389 309 Q HA 0.003 4.343 4.340 -0.001 0.000 0.204 309 Q C 1.185 177.164 176.000 -0.036 0.000 0.944 309 Q CA 0.716 56.504 55.803 -0.026 0.000 0.908 309 Q CB 0.013 28.740 28.738 -0.018 0.000 1.002 309 Q HN 0.376 nan 8.270 nan 0.000 0.493 310 N N -1.913 116.757 118.700 -0.050 0.000 2.181 310 N HA -0.016 4.724 4.740 -0.001 0.000 0.207 310 N C 1.081 176.543 175.510 -0.080 0.000 1.182 310 N CA 0.142 53.162 53.050 -0.051 0.000 0.893 310 N CB -0.289 38.174 38.487 -0.040 0.000 1.032 310 N HN 0.041 nan 8.380 nan 0.000 0.513 311 V N 0.599 120.431 119.914 -0.138 0.000 2.407 311 V HA -0.048 4.071 4.120 -0.001 0.000 0.248 311 V C 2.253 178.129 176.094 -0.362 0.000 1.055 311 V CA 2.049 64.210 62.300 -0.231 0.000 1.049 311 V CB -0.868 30.795 31.823 -0.266 0.000 0.662 311 V HN 0.436 nan 8.190 nan 0.000 0.455 312 A N -0.217 122.374 122.820 -0.383 0.000 1.902 312 A HA -0.036 4.284 4.320 -0.001 0.000 0.217 312 A C 2.416 180.036 177.584 0.060 0.000 1.181 312 A CA 2.119 54.057 52.037 -0.165 0.000 0.623 312 A CB -0.970 18.042 19.000 0.020 0.000 0.818 312 A HN 0.786 nan 8.150 nan 0.000 0.443 313 A N -0.441 122.390 122.820 0.018 0.000 1.873 313 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 313 A C 2.245 179.866 177.584 0.062 0.000 1.186 313 A CA 1.328 53.394 52.037 0.049 0.000 0.616 313 A CB -0.434 18.578 19.000 0.019 0.000 0.823 313 A HN 0.416 nan 8.150 nan 0.000 0.442 314 R N 0.119 120.648 120.500 0.047 0.000 2.081 314 R HA -0.062 4.278 4.340 -0.001 0.000 0.235 314 R C 2.432 178.778 176.300 0.078 0.000 1.131 314 R CA 1.569 57.752 56.100 0.138 0.000 0.960 314 R CB -0.993 29.387 30.300 0.133 0.000 0.856 314 R HN 0.531 nan 8.270 nan 0.000 0.436 315 S N 1.358 117.050 115.700 -0.012 0.000 2.368 315 S HA -0.133 4.337 4.470 -0.001 0.000 0.225 315 S C 1.320 175.817 174.600 -0.170 0.000 1.030 315 S CA 1.355 59.460 58.200 -0.158 0.000 0.999 315 S CB -0.271 62.951 63.200 0.037 0.000 0.844 315 S HN 0.261 nan 8.310 nan 0.000 0.459 316 D N 1.634 122.125 120.400 0.151 0.000 2.177 316 D HA -0.152 4.488 4.640 -0.001 0.000 0.189 316 D C 1.912 178.225 176.300 0.022 0.000 1.002 316 D CA 1.162 55.294 54.000 0.220 0.000 0.845 316 D CB -0.630 40.283 40.800 0.189 0.000 0.960 316 D HN 0.268 nan 8.370 nan 0.000 0.447 317 L N -0.219 120.993 121.223 -0.019 0.000 2.042 317 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 317 L C 2.470 179.170 176.870 -0.283 0.000 1.076 317 L CA 0.551 55.355 54.840 -0.061 0.000 0.749 317 L CB -0.243 41.850 42.059 0.057 0.000 0.893 317 L HN 0.083 nan 8.230 nan 0.000 0.432 318 L N -0.989 119.892 121.223 -0.569 0.000 2.044 318 L HA -0.120 4.220 4.340 -0.001 0.000 0.205 318 L C 2.325 178.509 176.870 -1.143 0.000 1.075 318 L CA 1.537 55.703 54.840 -1.123 0.000 0.747 318 L CB -0.329 40.761 42.059 -1.615 0.000 0.903 318 L HN -0.086 nan 8.230 nan 0.000 0.435 319 V N 0.008 119.382 119.914 -0.900 0.000 2.407 319 V HA -0.309 3.811 4.120 -0.001 0.000 0.248 319 V C 2.304 178.246 176.094 -0.253 0.000 1.055 319 V CA 1.930 63.868 62.300 -0.603 0.000 1.049 319 V CB -0.787 30.694 31.823 -0.570 0.000 0.662 319 V HN 0.592 nan 8.190 nan 0.000 0.455 320 D N -0.747 119.561 120.400 -0.153 0.000 2.123 320 D HA -0.213 4.427 4.640 -0.001 0.000 0.196 320 D C 2.240 178.516 176.300 -0.041 0.000 0.992 320 D CA 1.235 55.246 54.000 0.018 0.000 0.833 320 D CB -0.013 40.855 40.800 0.113 0.000 0.954 320 D HN 0.300 nan 8.370 nan 0.000 0.455 321 Q N -0.507 119.202 119.800 -0.151 0.000 2.050 321 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 321 Q C 2.165 178.181 176.000 0.026 0.000 0.980 321 Q CA 0.999 56.736 55.803 -0.109 0.000 0.840 321 Q CB -0.594 28.019 28.738 -0.208 0.000 0.898 321 Q HN 0.555 nan 8.270 nan 0.000 0.424 322 W N 1.494 122.690 121.300 -0.173 0.000 2.335 322 W HA -0.115 4.545 4.660 -0.001 0.000 0.311 322 W C 2.117 178.519 176.519 -0.196 0.000 1.213 322 W CA 0.811 58.052 57.345 -0.173 0.000 1.274 322 W CB -0.708 28.624 29.460 -0.213 0.000 1.148 322 W HN 0.217 nan 8.180 nan 0.000 0.498 323 K N 0.135 120.497 120.400 -0.062 0.000 2.148 323 K HA -0.142 4.178 4.320 -0.001 0.000 0.204 323 K C 1.947 178.368 176.600 -0.299 0.000 1.050 323 K CA 1.260 57.346 56.287 -0.334 0.000 0.942 323 K CB -0.225 31.794 32.500 -0.802 0.000 0.724 323 K HN 0.076 nan 8.250 nan 0.000 0.446 324 K N 1.027 121.339 120.400 -0.146 0.000 2.026 324 K HA -0.156 4.164 4.320 -0.001 0.000 0.208 324 K C 2.111 178.769 176.600 0.097 0.000 1.048 324 K CA 1.264 57.598 56.287 0.078 0.000 0.929 324 K CB -0.028 32.542 32.500 0.117 0.000 0.713 324 K HN 0.014 nan 8.250 nan 0.000 0.439 325 K N 0.763 121.227 120.400 0.107 0.000 2.063 325 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 325 K C 2.042 178.751 176.600 0.182 0.000 1.048 325 K CA 1.340 57.715 56.287 0.148 0.000 0.928 325 K CB -0.114 32.490 32.500 0.173 0.000 0.713 325 K HN 0.157 nan 8.250 nan 0.000 0.442 326 A N 1.196 124.103 122.820 0.144 0.000 2.019 326 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 326 A C 1.707 179.450 177.584 0.266 0.000 1.164 326 A CA 1.321 53.478 52.037 0.200 0.000 0.644 326 A CB -0.320 18.746 19.000 0.111 0.000 0.805 326 A HN 0.314 nan 8.150 nan 0.000 0.449 327 E N 0.070 120.403 120.200 0.223 0.000 2.265 327 E HA -0.107 4.242 4.350 -0.001 0.000 0.196 327 E C 1.608 178.334 176.600 0.210 0.000 0.996 327 E CA 0.697 57.243 56.400 0.243 0.000 0.832 327 E CB -0.259 29.608 29.700 0.280 0.000 0.756 327 E HN 0.728 nan 8.360 nan 0.000 0.491 328 L N -0.586 120.720 121.223 0.137 0.000 2.599 328 L HA 0.031 4.371 4.340 -0.001 0.000 0.230 328 L C 0.220 176.879 176.870 -0.353 0.000 1.141 328 L CA 0.297 55.084 54.840 -0.088 0.000 0.877 328 L CB -0.108 41.778 42.059 -0.288 0.000 1.009 328 L HN -0.002 nan 8.230 nan 0.000 0.447 329 Y N -1.751 118.633 120.300 0.139 0.000 2.605 329 Y HA 0.378 4.928 4.550 -0.001 0.000 0.343 329 Y C 1.077 177.092 175.900 0.192 0.000 1.036 329 Y CA -0.996 57.207 58.100 0.171 0.000 1.065 329 Y CB 1.258 39.828 38.460 0.183 0.000 1.288 329 Y HN -0.291 nan 8.280 nan 0.000 0.481 330 R N -0.546 120.189 120.500 0.392 0.000 2.254 330 R HA 0.083 4.423 4.340 -0.001 0.000 0.195 330 R C 0.397 176.825 176.300 0.214 0.000 0.957 330 R CA 0.793 57.034 56.100 0.235 0.000 1.024 330 R CB 0.274 30.645 30.300 0.118 0.000 0.952 330 R HN 0.752 nan 8.270 nan 0.000 0.484 331 T N -0.711 114.012 114.554 0.282 0.000 2.910 331 T HA 0.094 4.444 4.350 -0.001 0.000 0.279 331 T C 0.663 175.510 174.700 0.244 0.000 0.989 331 T CA -0.924 61.311 62.100 0.224 0.000 0.968 331 T CB 1.201 70.180 68.868 0.185 0.000 1.135 331 T HN 0.086 nan 8.240 nan 0.000 0.562 332 N N 0.084 118.904 118.700 0.200 0.000 2.322 332 N HA 0.127 4.867 4.740 -0.001 0.000 0.216 332 N C -0.690 174.805 175.510 -0.025 0.000 1.144 332 N CA -0.360 52.772 53.050 0.137 0.000 0.830 332 N CB -0.186 38.321 38.487 0.032 0.000 1.034 332 N HN 0.375 nan 8.380 nan 0.000 0.484 333 V N 1.276 121.207 119.914 0.030 0.000 2.409 333 V HA 0.417 4.536 4.120 -0.001 0.000 0.291 333 V C -0.642 175.533 176.094 0.135 0.000 1.020 333 V CA -0.978 61.339 62.300 0.028 0.000 0.848 333 V CB 1.564 33.387 31.823 -0.001 0.000 0.990 333 V HN 0.176 nan 8.190 nan 0.000 0.430 334 L N 5.742 126.985 121.223 0.033 0.000 2.341 334 L HA 0.687 5.027 4.340 -0.001 0.000 0.278 334 L C -0.850 175.883 176.870 -0.228 0.000 1.005 334 L CA -0.472 54.306 54.840 -0.105 0.000 0.818 334 L CB 1.661 43.554 42.059 -0.277 0.000 1.259 334 L HN 0.637 nan 8.230 nan 0.000 0.418 335 L N 6.397 127.273 121.223 -0.578 0.000 2.264 335 L HA 0.555 4.895 4.340 -0.001 0.000 0.289 335 L C -1.027 175.547 176.870 -0.494 0.000 1.044 335 L CA 0.158 54.491 54.840 -0.845 0.000 0.807 335 L CB 0.709 41.767 42.059 -1.668 0.000 1.192 335 L HN 0.440 nan 8.230 nan 0.000 0.425 336 I N 7.417 127.782 120.570 -0.342 0.000 2.502 336 I HA 0.339 4.508 4.170 -0.001 0.000 0.276 336 I C -2.288 173.805 176.117 -0.041 0.000 1.057 336 I CA -1.974 59.221 61.300 -0.176 0.000 1.163 336 I CB 1.043 38.920 38.000 -0.204 0.000 1.288 336 I HN 0.425 nan 8.210 nan 0.000 0.479 337 P HA 0.148 nan 4.420 nan 0.000 0.269 337 P C -0.451 177.026 177.300 0.296 0.000 1.209 337 P CA -0.232 62.998 63.100 0.216 0.000 0.776 337 P CB 0.842 32.711 31.700 0.281 0.000 0.876 338 L N 2.861 124.301 121.223 0.361 0.000 2.454 338 L HA 0.759 5.099 4.340 -0.001 0.000 0.258 338 L C -0.118 176.831 176.870 0.132 0.000 1.025 338 L CA 0.389 55.364 54.840 0.225 0.000 0.901 338 L CB 0.476 42.600 42.059 0.108 0.000 1.210 338 L HN 0.620 nan 8.230 nan 0.000 0.457 339 G N 1.689 110.450 108.800 -0.066 0.000 2.342 339 G HA2 0.475 4.434 3.960 -0.001 0.000 0.297 339 G HA3 0.475 4.434 3.960 -0.001 0.000 0.297 339 G C -2.199 172.585 174.900 -0.193 0.000 1.313 339 G CA -0.236 44.583 45.100 -0.469 0.000 0.830 339 G HN 0.395 nan 8.290 nan 0.000 0.506 340 D N -1.757 118.590 120.400 -0.089 0.000 2.879 340 D HA 0.305 4.945 4.640 -0.001 0.000 0.346 340 D C -1.513 174.924 176.300 0.228 0.000 1.390 340 D CA -0.445 53.693 54.000 0.231 0.000 0.838 340 D CB 1.371 42.263 40.800 0.154 0.000 1.416 340 D HN 0.227 nan 8.370 nan 0.000 0.493 341 D N 0.409 121.006 120.400 0.329 0.000 2.450 341 D HA 0.209 4.848 4.640 -0.001 0.000 0.247 341 D C 0.219 176.682 176.300 0.271 0.000 1.162 341 D CA 0.494 54.671 54.000 0.296 0.000 0.879 341 D CB -0.274 40.806 40.800 0.467 0.000 1.163 341 D HN 0.336 nan 8.370 nan 0.000 0.472 342 F N 0.261 120.266 119.950 0.092 0.000 3.048 342 F HA -0.308 4.219 4.527 -0.001 0.000 0.269 342 F C 1.112 176.949 175.800 0.063 0.000 0.960 342 F CA 0.618 58.654 58.000 0.059 0.000 0.909 342 F CB -0.932 38.092 39.000 0.040 0.000 0.837 342 F HN 0.225 nan 8.300 nan 0.000 0.768 343 R N -0.479 120.109 120.500 0.148 0.000 2.580 343 R HA 0.469 4.809 4.340 -0.001 0.000 0.267 343 R C 0.732 177.066 176.300 0.056 0.000 1.125 343 R CA -0.683 55.394 56.100 -0.038 0.000 1.188 343 R CB -0.077 30.090 30.300 -0.223 0.000 1.155 343 R HN 0.202 nan 8.270 nan 0.000 0.586 344 F N -0.862 118.927 119.950 -0.268 0.000 3.071 344 F HA -0.282 4.244 4.527 -0.001 0.000 0.295 344 F C 1.339 177.103 175.800 -0.061 0.000 0.919 344 F CA 1.011 58.665 58.000 -0.577 0.000 1.050 344 F CB -1.164 37.201 39.000 -1.058 0.000 1.040 344 F HN 0.602 nan 8.300 nan 0.000 0.692 345 K N 0.101 120.558 120.400 0.094 0.000 2.019 345 K HA 0.027 4.347 4.320 -0.001 0.000 0.209 345 K C 0.675 177.426 176.600 0.252 0.000 1.032 345 K CA 0.794 57.207 56.287 0.211 0.000 0.947 345 K CB 0.116 32.708 32.500 0.152 0.000 0.757 345 K HN 0.281 nan 8.250 nan 0.000 0.444 346 Q N 1.547 121.458 119.800 0.185 0.000 2.364 346 Q HA 0.059 4.398 4.340 -0.001 0.000 0.267 346 Q C 0.648 176.836 176.000 0.313 0.000 0.999 346 Q CA -0.074 55.865 55.803 0.226 0.000 0.886 346 Q CB 0.780 29.689 28.738 0.285 0.000 1.243 346 Q HN 0.270 nan 8.270 nan 0.000 0.415 347 N N 0.814 119.670 118.700 0.260 0.000 2.094 347 N HA -0.184 4.555 4.740 -0.001 0.000 0.191 347 N C 1.495 177.163 175.510 0.264 0.000 1.023 347 N CA 2.034 55.237 53.050 0.254 0.000 0.857 347 N CB -0.403 38.181 38.487 0.162 0.000 1.013 347 N HN 0.803 nan 8.380 nan 0.000 0.426 348 T N -1.178 113.527 114.554 0.252 0.000 2.833 348 T HA -0.116 4.233 4.350 -0.001 0.000 0.269 348 T C 1.712 176.615 174.700 0.338 0.000 1.054 348 T CA 1.179 63.449 62.100 0.284 0.000 1.135 348 T CB -0.108 68.914 68.868 0.257 0.000 0.869 348 T HN 0.340 nan 8.240 nan 0.000 0.466 349 E N -0.184 120.164 120.200 0.246 0.000 2.072 349 E HA -0.103 4.247 4.350 -0.001 0.000 0.190 349 E C 1.842 178.351 176.600 -0.151 0.000 0.982 349 E CA 0.778 57.085 56.400 -0.155 0.000 0.803 349 E CB -0.261 29.170 29.700 -0.449 0.000 0.755 349 E HN 0.702 nan 8.360 nan 0.000 0.453 350 W N 1.821 123.046 121.300 -0.126 0.000 2.318 350 W HA -0.216 4.443 4.660 -0.001 0.000 0.313 350 W C 2.167 178.545 176.519 -0.236 0.000 1.221 350 W CA 1.390 58.565 57.345 -0.283 0.000 1.266 350 W CB -0.355 28.634 29.460 -0.784 0.000 1.150 350 W HN 0.193 nan 8.180 nan 0.000 0.496 351 D N -0.553 119.943 120.400 0.159 0.000 2.097 351 D HA -0.178 4.462 4.640 -0.001 0.000 0.195 351 D C 2.278 178.669 176.300 0.152 0.000 0.989 351 D CA 1.542 55.679 54.000 0.229 0.000 0.827 351 D CB -1.023 39.914 40.800 0.228 0.000 0.966 351 D HN 0.029 nan 8.370 nan 0.000 0.456 352 V N 0.933 120.921 119.914 0.122 0.000 2.427 352 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 352 V C 2.241 178.363 176.094 0.048 0.000 1.051 352 V CA 1.582 63.933 62.300 0.085 0.000 1.048 352 V CB -0.082 31.840 31.823 0.165 0.000 0.666 352 V HN 0.158 nan 8.190 nan 0.000 0.456 353 Q N -0.338 119.526 119.800 0.108 0.000 2.049 353 Q HA -0.186 4.153 4.340 -0.001 0.000 0.198 353 Q C 2.352 178.547 176.000 0.324 0.000 0.971 353 Q CA 1.869 57.832 55.803 0.266 0.000 0.833 353 Q CB -0.478 28.396 28.738 0.227 0.000 0.896 353 Q HN 0.612 nan 8.270 nan 0.000 0.434 354 R N 0.510 121.172 120.500 0.270 0.000 2.073 354 R HA -0.099 4.240 4.340 -0.001 0.000 0.234 354 R C 2.244 178.718 176.300 0.290 0.000 1.134 354 R CA 1.312 57.625 56.100 0.356 0.000 0.952 354 R CB -0.076 30.434 30.300 0.350 0.000 0.850 354 R HN 0.057 nan 8.270 nan 0.000 0.433 355 V N 2.044 122.047 119.914 0.148 0.000 2.358 355 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 355 V C 2.020 178.057 176.094 -0.095 0.000 1.047 355 V CA 1.864 64.196 62.300 0.053 0.000 1.035 355 V CB -0.611 31.232 31.823 0.033 0.000 0.658 355 V HN 0.442 nan 8.190 nan 0.000 0.452 356 N N -0.659 117.870 118.700 -0.286 0.000 2.120 356 N HA -0.175 4.564 4.740 -0.001 0.000 0.188 356 N C 1.864 177.060 175.510 -0.524 0.000 1.024 356 N CA 1.706 54.372 53.050 -0.640 0.000 0.852 356 N CB -0.327 37.173 38.487 -1.646 0.000 1.003 356 N HN 0.516 nan 8.380 nan 0.000 0.424 357 Y N 1.967 122.073 120.300 -0.323 0.000 2.242 357 Y HA -0.074 4.475 4.550 -0.001 0.000 0.291 357 Y C 2.389 177.783 175.900 -0.843 0.000 1.137 357 Y CA 1.005 58.790 58.100 -0.524 0.000 1.181 357 Y CB -0.151 38.100 38.460 -0.349 0.000 0.989 357 Y HN 0.129 nan 8.280 nan 0.000 0.527 358 E N -0.194 119.880 120.200 -0.210 0.000 2.085 358 E HA -0.251 4.099 4.350 -0.001 0.000 0.194 358 E C 2.225 178.783 176.600 -0.069 0.000 0.994 358 E CA 1.226 57.588 56.400 -0.063 0.000 0.801 358 E CB -0.154 29.626 29.700 0.133 0.000 0.743 358 E HN 0.469 nan 8.360 nan 0.000 0.453 359 R N 0.271 120.705 120.500 -0.110 0.000 2.075 359 R HA -0.087 4.252 4.340 -0.001 0.000 0.232 359 R C 2.480 178.752 176.300 -0.046 0.000 1.126 359 R CA 0.845 56.908 56.100 -0.062 0.000 0.963 359 R CB -0.253 29.991 30.300 -0.095 0.000 0.858 359 R HN 0.155 nan 8.270 nan 0.000 0.435 360 L N -0.344 120.783 121.223 -0.159 0.000 2.017 360 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 360 L C 2.151 179.066 176.870 0.076 0.000 1.073 360 L CA 1.200 55.980 54.840 -0.099 0.000 0.745 360 L CB -0.453 41.463 42.059 -0.238 0.000 0.894 360 L HN 0.073 nan 8.230 nan 0.000 0.432 361 F N 0.282 120.247 119.950 0.025 0.000 2.126 361 F HA -0.231 4.296 4.527 -0.001 0.000 0.299 361 F C 2.652 178.458 175.800 0.010 0.000 1.096 361 F CA 1.389 59.389 58.000 -0.000 0.000 1.255 361 F CB -1.012 37.945 39.000 -0.071 0.000 0.997 361 F HN 0.220 nan 8.300 nan 0.000 0.479 362 E N -0.741 119.589 120.200 0.217 0.000 2.077 362 E HA -0.285 4.065 4.350 -0.001 0.000 0.193 362 E C 2.213 178.899 176.600 0.143 0.000 0.989 362 E CA 1.465 57.953 56.400 0.147 0.000 0.800 362 E CB -0.244 29.527 29.700 0.118 0.000 0.746 362 E HN 0.507 nan 8.360 nan 0.000 0.452 363 H N 0.279 119.399 119.070 0.083 0.000 2.299 363 H HA -0.062 4.493 4.556 -0.001 0.000 0.302 363 H C 2.073 177.489 175.328 0.147 0.000 1.078 363 H CA 2.238 58.348 56.048 0.104 0.000 1.323 363 H CB -0.190 29.630 29.762 0.096 0.000 1.381 363 H HN 0.144 nan 8.280 nan 0.000 0.498 364 I N 0.417 121.060 120.570 0.122 0.000 2.163 364 I HA -0.291 3.879 4.170 -0.001 0.000 0.243 364 I C 1.661 177.807 176.117 0.048 0.000 1.085 364 I CA 1.386 62.701 61.300 0.024 0.000 1.347 364 I CB -0.291 37.644 38.000 -0.108 0.000 1.044 364 I HN 0.368 nan 8.210 nan 0.000 0.408 365 N N 0.267 118.986 118.700 0.032 0.000 2.459 365 N HA -0.104 4.636 4.740 -0.001 0.000 0.181 365 N C 1.830 177.329 175.510 -0.018 0.000 1.046 365 N CA 1.435 54.480 53.050 -0.008 0.000 0.904 365 N CB -0.233 38.240 38.487 -0.023 0.000 0.964 365 N HN 0.404 nan 8.380 nan 0.000 0.444 366 S N -0.977 114.708 115.700 -0.026 0.000 2.517 366 S HA 0.135 4.605 4.470 -0.001 0.000 0.214 366 S C 0.593 175.149 174.600 -0.073 0.000 0.991 366 S CA -0.144 58.031 58.200 -0.041 0.000 0.906 366 S CB 0.283 63.468 63.200 -0.024 0.000 0.789 366 S HN -0.020 nan 8.310 nan 0.000 0.513 367 Q N 1.321 121.055 119.800 -0.110 0.000 2.465 367 Q HA 0.534 4.874 4.340 -0.001 0.000 0.237 367 Q C 0.964 176.835 176.000 -0.216 0.000 1.051 367 Q CA 0.102 55.798 55.803 -0.179 0.000 0.874 367 Q CB 1.215 29.748 28.738 -0.341 0.000 1.207 367 Q HN 0.462 nan 8.270 nan 0.000 0.508 368 A N 2.645 125.403 122.820 -0.103 0.000 1.986 368 A HA -0.276 4.044 4.320 -0.001 0.000 0.220 368 A C 1.619 179.144 177.584 -0.099 0.000 1.171 368 A CA 2.233 54.226 52.037 -0.074 0.000 0.640 368 A CB -0.731 18.252 19.000 -0.029 0.000 0.811 368 A HN 0.894 nan 8.150 nan 0.000 0.451 369 H N -3.378 115.612 119.070 -0.133 0.000 2.489 369 H HA -0.054 4.502 4.556 -0.001 0.000 0.295 369 H C 1.410 176.673 175.328 -0.108 0.000 1.082 369 H CA 1.510 57.464 56.048 -0.156 0.000 1.295 369 H CB -0.595 29.017 29.762 -0.249 0.000 1.380 369 H HN 0.420 nan 8.280 nan 0.000 0.548 370 F N 0.977 120.628 119.950 -0.498 0.000 2.259 370 F HA -0.021 4.506 4.527 -0.001 0.000 0.298 370 F C 0.818 176.563 175.800 -0.092 0.000 1.088 370 F CA 0.834 58.686 58.000 -0.246 0.000 1.358 370 F CB -0.368 38.460 39.000 -0.287 0.000 1.040 370 F HN 0.183 nan 8.300 nan 0.000 0.505 371 N N 0.459 119.207 118.700 0.080 0.000 2.725 371 N HA -0.166 4.573 4.740 -0.001 0.000 0.251 371 N C -1.055 174.445 175.510 -0.016 0.000 1.031 371 N CA 0.480 53.558 53.050 0.046 0.000 0.720 371 N CB -1.551 37.002 38.487 0.111 0.000 0.930 371 N HN 0.044 nan 8.380 nan 0.000 0.543 372 V N 0.595 120.493 119.914 -0.027 0.000 2.735 372 V HA 0.393 4.512 4.120 -0.001 0.000 0.310 372 V C 0.137 176.151 176.094 -0.133 0.000 1.061 372 V CA -0.679 61.554 62.300 -0.112 0.000 0.913 372 V CB 2.475 34.263 31.823 -0.060 0.000 1.005 372 V HN 0.168 nan 8.190 nan 0.000 0.428 373 Q N 3.080 122.744 119.800 -0.226 0.000 2.339 373 Q HA 0.754 5.093 4.340 -0.001 0.000 0.268 373 Q C -0.757 174.988 176.000 -0.424 0.000 1.027 373 Q CA -0.127 55.516 55.803 -0.267 0.000 0.759 373 Q CB 1.586 30.172 28.738 -0.254 0.000 1.244 373 Q HN 0.999 nan 8.270 nan 0.000 0.464 374 A N 4.355 126.910 122.820 -0.440 0.000 2.350 374 A HA 0.885 5.204 4.320 -0.001 0.000 0.324 374 A C -1.167 175.734 177.584 -1.138 0.000 1.118 374 A CA -0.509 51.099 52.037 -0.714 0.000 0.783 374 A CB 1.126 19.885 19.000 -0.402 0.000 1.236 374 A HN 0.804 nan 8.150 nan 0.000 0.457 375 Q N 0.724 119.749 119.800 -1.292 0.000 2.578 375 Q HA 0.548 4.888 4.340 -0.001 0.000 0.284 375 Q C -1.629 173.918 176.000 -0.755 0.000 0.960 375 Q CA -0.839 54.240 55.803 -1.206 0.000 0.809 375 Q CB 0.667 29.067 28.738 -0.564 0.000 1.462 375 Q HN 0.395 nan 8.270 nan 0.000 0.392 376 F N 0.579 120.422 119.950 -0.178 0.000 2.518 376 F HA 0.601 5.128 4.527 -0.001 0.000 0.359 376 F C 1.163 177.005 175.800 0.069 0.000 1.118 376 F CA 1.405 59.442 58.000 0.061 0.000 1.287 376 F CB 0.948 40.045 39.000 0.162 0.000 1.132 376 F HN 0.752 nan 8.300 nan 0.000 0.587 377 G N 0.335 109.315 108.800 0.300 0.000 2.687 377 G HA2 0.610 4.569 3.960 -0.001 0.000 0.291 377 G HA3 0.610 4.569 3.960 -0.001 0.000 0.291 377 G C -1.094 173.815 174.900 0.015 0.000 1.420 377 G CA -0.626 44.596 45.100 0.204 0.000 0.796 377 G HN 0.716 nan 8.290 nan 0.000 0.485 378 T N -1.875 112.608 114.554 -0.117 0.000 2.937 378 T HA 0.482 4.832 4.350 -0.001 0.000 0.283 378 T C 1.275 175.822 174.700 -0.255 0.000 1.012 378 T CA -0.470 61.520 62.100 -0.182 0.000 0.997 378 T CB 1.538 70.312 68.868 -0.156 0.000 1.136 378 T HN 0.547 nan 8.240 nan 0.000 0.551 379 L N 0.569 121.642 121.223 -0.251 0.000 2.017 379 L HA 0.026 4.365 4.340 -0.001 0.000 0.208 379 L C 2.783 179.609 176.870 -0.073 0.000 1.073 379 L CA 2.000 56.719 54.840 -0.202 0.000 0.745 379 L CB -1.162 40.816 42.059 -0.135 0.000 0.894 379 L HN 0.895 nan 8.230 nan 0.000 0.432 380 Q N -0.086 119.702 119.800 -0.020 0.000 2.124 380 Q HA -0.226 4.113 4.340 -0.001 0.000 0.202 380 Q C 2.081 178.016 176.000 -0.108 0.000 0.977 380 Q CA 1.967 57.790 55.803 0.034 0.000 0.850 380 Q CB -0.171 28.561 28.738 -0.010 0.000 0.901 380 Q HN 0.632 nan 8.270 nan 0.000 0.429 381 E N -1.236 118.807 120.200 -0.262 0.000 2.077 381 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 381 E C 1.699 177.843 176.600 -0.759 0.000 0.989 381 E CA 1.173 57.290 56.400 -0.472 0.000 0.800 381 E CB -0.311 29.040 29.700 -0.583 0.000 0.746 381 E HN 0.477 nan 8.360 nan 0.000 0.452 382 Y N 0.656 120.403 120.300 -0.920 0.000 2.097 382 Y HA -0.281 4.269 4.550 -0.001 0.000 0.282 382 Y C 1.910 177.507 175.900 -0.504 0.000 1.152 382 Y CA 1.655 59.251 58.100 -0.841 0.000 1.136 382 Y CB -0.511 37.490 38.460 -0.765 0.000 0.975 382 Y HN -0.058 nan 8.280 nan 0.000 0.498 383 F N 0.906 120.600 119.950 -0.428 0.000 2.171 383 F HA -0.183 4.343 4.527 -0.001 0.000 0.300 383 F C 2.249 177.819 175.800 -0.382 0.000 1.090 383 F CA 1.773 59.500 58.000 -0.455 0.000 1.293 383 F CB -0.871 38.053 39.000 -0.125 0.000 1.013 383 F HN 0.100 nan 8.300 nan 0.000 0.486 384 D N 0.027 120.377 120.400 -0.084 0.000 2.123 384 D HA -0.169 4.470 4.640 -0.001 0.000 0.196 384 D C 2.350 178.575 176.300 -0.125 0.000 0.992 384 D CA 1.526 55.484 54.000 -0.070 0.000 0.833 384 D CB -0.598 40.150 40.800 -0.087 0.000 0.954 384 D HN 0.241 nan 8.370 nan 0.000 0.455 385 A N 0.388 123.075 122.820 -0.222 0.000 1.930 385 A HA -0.092 4.227 4.320 -0.001 0.000 0.217 385 A C 2.517 179.980 177.584 -0.201 0.000 1.175 385 A CA 0.918 52.868 52.037 -0.146 0.000 0.627 385 A CB -0.624 18.364 19.000 -0.020 0.000 0.815 385 A HN 0.136 nan 8.150 nan 0.000 0.443 386 V N -0.089 119.569 119.914 -0.426 0.000 2.295 386 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 386 V C 2.424 178.332 176.094 -0.311 0.000 1.049 386 V CA 2.127 64.169 62.300 -0.430 0.000 1.024 386 V CB -1.001 30.376 31.823 -0.743 0.000 0.648 386 V HN 0.652 nan 8.190 nan 0.000 0.447 387 H N -0.266 118.688 119.070 -0.193 0.000 2.462 387 H HA -0.076 4.480 4.556 -0.001 0.000 0.292 387 H C 2.411 177.705 175.328 -0.058 0.000 1.049 387 H CA 1.340 57.306 56.048 -0.137 0.000 1.334 387 H CB -0.098 29.542 29.762 -0.203 0.000 1.404 387 H HN 0.553 nan 8.280 nan 0.000 0.544 388 Q N 0.335 120.154 119.800 0.032 0.000 2.084 388 Q HA -0.085 4.254 4.340 -0.001 0.000 0.202 388 Q C 2.556 178.575 176.000 0.032 0.000 0.978 388 Q CA 1.419 57.236 55.803 0.024 0.000 0.844 388 Q CB -0.023 28.718 28.738 0.005 0.000 0.898 388 Q HN 0.410 nan 8.270 nan 0.000 0.426 389 A N 1.038 123.873 122.820 0.025 0.000 1.898 389 A HA -0.260 4.060 4.320 -0.001 0.000 0.216 389 A C 1.955 179.571 177.584 0.054 0.000 1.181 389 A CA 1.578 53.643 52.037 0.047 0.000 0.620 389 A CB -0.583 18.448 19.000 0.053 0.000 0.819 389 A HN 0.453 nan 8.150 nan 0.000 0.442 390 E N -0.125 120.124 120.200 0.081 0.000 2.049 390 E HA -0.251 4.098 4.350 -0.001 0.000 0.198 390 E C 2.225 178.866 176.600 0.067 0.000 1.007 390 E CA 1.403 57.860 56.400 0.095 0.000 0.809 390 E CB -0.164 29.705 29.700 0.281 0.000 0.749 390 E HN 0.585 nan 8.360 nan 0.000 0.450 391 R N -0.309 120.234 120.500 0.071 0.000 2.148 391 R HA -0.046 4.294 4.340 -0.001 0.000 0.227 391 R C 2.157 178.476 176.300 0.031 0.000 1.103 391 R CA 0.832 56.959 56.100 0.046 0.000 0.983 391 R CB -0.155 30.168 30.300 0.037 0.000 0.874 391 R HN 0.154 nan 8.270 nan 0.000 0.451 392 A N 0.216 123.056 122.820 0.033 0.000 2.235 392 A HA 0.160 4.480 4.320 -0.001 0.000 0.208 392 A C 1.363 178.961 177.584 0.022 0.000 1.172 392 A CA 0.857 52.911 52.037 0.029 0.000 0.786 392 A CB -0.149 18.874 19.000 0.038 0.000 0.804 392 A HN 0.455 nan 8.150 nan 0.000 0.479 393 G N -1.294 107.516 108.800 0.016 0.000 2.132 393 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.234 393 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.234 393 G C 0.718 175.612 174.900 -0.010 0.000 0.989 393 G CA 0.573 45.673 45.100 0.001 0.000 0.676 393 G HN 0.508 nan 8.290 nan 0.000 0.522 394 Q N -0.599 119.201 119.800 0.000 0.000 2.245 394 Q HA 0.480 4.820 4.340 -0.001 0.000 0.201 394 Q C 1.166 177.142 176.000 -0.040 0.000 0.955 394 Q CA 1.408 57.215 55.803 0.008 0.000 0.870 394 Q CB 0.068 28.844 28.738 0.064 0.000 0.945 394 Q HN 1.261 nan 8.270 nan 0.000 0.461 395 A N 0.876 123.630 122.820 -0.111 0.000 2.574 395 A HA 0.429 4.748 4.320 -0.001 0.000 0.297 395 A C -1.530 175.832 177.584 -0.369 0.000 1.062 395 A CA -0.875 51.001 52.037 -0.268 0.000 0.686 395 A CB 1.255 20.016 19.000 -0.399 0.000 1.285 395 A HN 0.246 nan 8.150 nan 0.000 0.403 396 E N 1.013 120.992 120.200 -0.369 0.000 2.212 396 E HA 0.752 5.101 4.350 -0.001 0.000 0.268 396 E C -1.679 174.711 176.600 -0.350 0.000 0.902 396 E CA -0.567 55.671 56.400 -0.270 0.000 0.779 396 E CB 1.708 31.363 29.700 -0.076 0.000 1.172 396 E HN 0.336 nan 8.360 nan 0.000 0.409 397 F N 1.735 121.789 119.950 0.173 0.000 2.450 397 F HA 0.400 4.927 4.527 -0.000 0.000 0.332 397 F C -1.845 174.055 175.800 0.167 0.000 1.093 397 F CA -2.332 55.794 58.000 0.211 0.000 1.003 397 F CB 1.168 40.372 39.000 0.341 0.000 1.151 397 F HN 0.350 nan 8.300 nan 0.000 0.474 398 P HA 0.189 nan 4.420 nan 0.000 0.274 398 P C -0.631 176.807 177.300 0.230 0.000 1.237 398 P CA -0.382 62.848 63.100 0.216 0.000 0.793 398 P CB 0.910 32.706 31.700 0.159 0.000 0.977 399 T N -0.686 113.955 114.554 0.146 0.000 2.907 399 T HA 0.678 5.027 4.350 -0.001 0.000 0.284 399 T C -0.295 174.434 174.700 0.049 0.000 1.004 399 T CA -0.798 61.380 62.100 0.131 0.000 1.063 399 T CB 1.041 69.964 68.868 0.092 0.000 0.992 399 T HN 0.455 nan 8.240 nan 0.000 0.483 400 L N 1.792 123.043 121.223 0.048 0.000 2.445 400 L HA 0.716 5.055 4.340 -0.001 0.000 0.262 400 L C -0.672 176.195 176.870 -0.006 0.000 0.974 400 L CA -0.410 54.353 54.840 -0.129 0.000 0.822 400 L CB 2.187 43.930 42.059 -0.528 0.000 1.339 400 L HN 1.112 nan 8.230 nan 0.000 0.409 401 S N 2.506 118.155 115.700 -0.083 0.000 2.632 401 S HA 1.063 5.532 4.470 -0.001 0.000 0.289 401 S C -0.315 174.212 174.600 -0.121 0.000 1.115 401 S CA -0.031 58.176 58.200 0.011 0.000 0.889 401 S CB 2.066 65.238 63.200 -0.048 0.000 1.116 401 S HN 1.683 nan 8.310 nan 0.000 0.486 402 G N 0.971 109.757 108.800 -0.023 0.000 2.343 402 G HA2 0.321 4.281 3.960 -0.001 0.000 0.562 402 G HA3 0.321 4.281 3.960 -0.001 0.000 0.562 402 G C -1.773 173.031 174.900 -0.159 0.000 1.269 402 G CA -0.017 44.971 45.100 -0.187 0.000 1.011 402 G HN 1.276 nan 8.290 nan 0.000 0.498 403 D N -1.740 118.434 120.400 -0.377 0.000 2.654 403 D HA 0.755 5.395 4.640 -0.001 0.000 0.255 403 D C -0.568 175.227 176.300 -0.842 0.000 1.101 403 D CA -1.056 52.736 54.000 -0.347 0.000 1.116 403 D CB 1.074 41.853 40.800 -0.034 0.000 1.348 403 D HN 0.386 nan 8.370 nan 0.000 0.609 404 F N -0.521 119.300 119.950 -0.215 0.000 2.761 404 F HA 0.395 4.921 4.527 -0.001 0.000 0.367 404 F C -0.931 174.699 175.800 -0.282 0.000 1.386 404 F CA -0.648 57.226 58.000 -0.210 0.000 1.177 404 F CB 0.159 39.065 39.000 -0.157 0.000 1.092 404 F HN -0.004 nan 8.300 nan 0.000 0.517 405 F N -0.690 119.439 119.950 0.297 0.000 2.538 405 F HA 0.564 5.091 4.527 -0.001 0.000 0.325 405 F C 0.597 176.648 175.800 0.418 0.000 1.066 405 F CA -1.428 56.813 58.000 0.402 0.000 0.946 405 F CB 1.565 40.795 39.000 0.382 0.000 1.199 405 F HN -0.287 nan 8.300 nan 0.000 0.473 406 T N 1.963 116.890 114.554 0.621 0.000 2.806 406 T HA 0.159 4.509 4.350 -0.001 0.000 0.290 406 T C -0.892 174.273 174.700 0.775 0.000 0.966 406 T CA -0.201 62.335 62.100 0.726 0.000 1.060 406 T CB 0.093 69.256 68.868 0.491 0.000 0.927 406 T HN 0.369 nan 8.240 nan 0.000 0.485 407 Y N 3.058 123.688 120.300 0.550 0.000 2.597 407 Y HA 0.394 4.944 4.550 -0.001 0.000 0.336 407 Y C -0.096 175.860 175.900 0.094 0.000 1.216 407 Y CA -1.053 57.198 58.100 0.251 0.000 1.463 407 Y CB 0.104 38.586 38.460 0.037 0.000 1.303 407 Y HN 0.682 nan 8.280 nan 0.000 0.576 408 A N 5.179 127.572 122.820 -0.713 0.000 2.374 408 A HA 0.365 4.684 4.320 -0.001 0.000 0.305 408 A C -0.029 176.952 177.584 -1.004 0.000 1.053 408 A CA -0.255 51.202 52.037 -0.967 0.000 0.726 408 A CB 0.702 18.870 19.000 -1.386 0.000 1.229 408 A HN 0.799 nan 8.150 nan 0.000 0.431 409 D N 1.585 121.547 120.400 -0.730 0.000 2.305 409 D HA 0.043 4.683 4.640 -0.001 0.000 0.206 409 D C 0.529 176.830 176.300 0.002 0.000 0.974 409 D CA 0.569 54.396 54.000 -0.287 0.000 0.871 409 D CB 0.166 40.935 40.800 -0.051 0.000 0.947 409 D HN 0.724 nan 8.370 nan 0.000 0.516 410 R N -2.343 118.099 120.500 -0.097 0.000 2.687 410 R HA 0.417 4.757 4.340 -0.001 0.000 0.265 410 R C -0.170 176.018 176.300 -0.187 0.000 1.048 410 R CA -0.265 55.630 56.100 -0.341 0.000 0.884 410 R CB 0.819 30.988 30.300 -0.218 0.000 1.258 410 R HN -0.114 nan 8.270 nan 0.000 0.469 411 S N 0.194 115.740 115.700 -0.256 0.000 3.927 411 S HA -0.291 4.178 4.470 -0.001 0.000 0.618 411 S C 0.436 175.110 174.600 0.123 0.000 2.201 411 S CA 1.966 60.156 58.200 -0.018 0.000 4.160 411 S CB -1.011 62.165 63.200 -0.040 0.000 0.266 411 S HN 1.082 nan 8.310 nan 0.000 0.760 412 D N 1.346 121.807 120.400 0.102 0.000 2.388 412 D HA 0.186 4.826 4.640 -0.001 0.000 0.221 412 D C 0.026 176.432 176.300 0.176 0.000 1.133 412 D CA -0.110 54.017 54.000 0.212 0.000 0.831 412 D CB -1.405 39.501 40.800 0.176 0.000 0.962 412 D HN 0.503 nan 8.370 nan 0.000 0.502 413 N N 0.923 119.629 118.700 0.011 0.000 2.739 413 N HA 0.054 4.793 4.740 -0.001 0.000 0.266 413 N C -0.940 174.590 175.510 0.034 0.000 1.168 413 N CA -0.311 52.747 53.050 0.013 0.000 1.055 413 N CB 0.143 38.618 38.487 -0.020 0.000 1.393 413 N HN 0.135 nan 8.380 nan 0.000 0.514 414 Y N 0.220 120.607 120.300 0.144 0.000 2.316 414 Y HA 0.120 4.669 4.550 -0.001 0.000 0.331 414 Y C 0.083 176.182 175.900 0.332 0.000 1.083 414 Y CA -0.661 57.590 58.100 0.252 0.000 1.206 414 Y CB 0.598 39.153 38.460 0.159 0.000 1.195 414 Y HN 0.397 nan 8.280 nan 0.000 0.497 415 W N 2.402 123.839 121.300 0.228 0.000 1.809 415 W HA 0.233 4.893 4.660 -0.000 0.000 0.399 415 W C 0.821 177.385 176.519 0.074 0.000 0.636 415 W CA -0.653 56.852 57.345 0.266 0.000 2.178 415 W CB -0.476 29.245 29.460 0.436 0.000 1.632 415 W HN 0.544 nan 8.180 nan 0.000 0.470 416 S N -2.037 113.699 115.700 0.059 0.000 2.556 416 S HA 0.124 4.594 4.470 -0.001 0.000 0.216 416 S C 1.947 176.284 174.600 -0.439 0.000 0.970 416 S CA 0.340 58.222 58.200 -0.530 0.000 0.912 416 S CB 0.177 63.382 63.200 0.008 0.000 0.790 416 S HN 0.344 nan 8.310 nan 0.000 0.504 417 G N 1.990 110.728 108.800 -0.104 0.000 2.408 417 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.217 417 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.217 417 G C 1.251 176.135 174.900 -0.026 0.000 1.150 417 G CA 0.864 45.914 45.100 -0.083 0.000 0.776 417 G HN 0.790 nan 8.290 nan 0.000 0.542 418 Y N -0.517 119.759 120.300 -0.041 0.000 2.632 418 Y HA 0.170 4.719 4.550 -0.001 0.000 0.301 418 Y C 1.781 177.804 175.900 0.206 0.000 1.172 418 Y CA -0.435 57.719 58.100 0.091 0.000 1.328 418 Y CB -0.362 38.245 38.460 0.244 0.000 1.016 418 Y HN 0.174 nan 8.280 nan 0.000 0.529 419 Y N 0.643 120.732 120.300 -0.351 0.000 2.574 419 Y HA -0.028 4.522 4.550 -0.001 0.000 0.294 419 Y C 1.708 177.555 175.900 -0.089 0.000 1.142 419 Y CA 0.626 58.544 58.100 -0.302 0.000 1.314 419 Y CB -0.720 37.605 38.460 -0.225 0.000 0.991 419 Y HN 0.309 nan 8.280 nan 0.000 0.555 420 T N -2.759 111.860 114.554 0.109 0.000 2.980 420 T HA 0.080 4.430 4.350 -0.001 0.000 0.252 420 T C 0.729 175.513 174.700 0.139 0.000 0.962 420 T CA -0.067 62.097 62.100 0.107 0.000 0.932 420 T CB 0.029 68.932 68.868 0.058 0.000 1.188 420 T HN -0.070 nan 8.240 nan 0.000 0.500 421 S N 2.452 118.232 115.700 0.133 0.000 2.558 421 S HA 0.206 4.676 4.470 -0.001 0.000 0.293 421 S C 0.392 175.120 174.600 0.214 0.000 1.292 421 S CA -0.011 58.277 58.200 0.147 0.000 1.063 421 S CB 0.099 63.372 63.200 0.121 0.000 0.831 421 S HN 0.398 nan 8.310 nan 0.000 0.499 422 R N 1.012 121.653 120.500 0.236 0.000 3.209 422 R HA -0.120 4.220 4.340 -0.001 0.000 0.252 422 R C -2.047 174.492 176.300 0.397 0.000 0.958 422 R CA 0.675 56.987 56.100 0.354 0.000 0.651 422 R CB -1.825 28.716 30.300 0.402 0.000 1.142 422 R HN 0.503 nan 8.270 nan 0.000 0.441 423 P HA -0.207 nan 4.420 nan 0.000 0.223 423 P C 1.093 178.592 177.300 0.331 0.000 1.151 423 P CA 0.898 64.205 63.100 0.345 0.000 0.787 423 P CB -0.006 31.942 31.700 0.413 0.000 0.788 424 Y N 1.534 121.912 120.300 0.129 0.000 2.165 424 Y HA -0.253 4.296 4.550 -0.001 0.000 0.286 424 Y C 2.241 178.105 175.900 -0.059 0.000 1.155 424 Y CA 2.061 60.153 58.100 -0.014 0.000 1.164 424 Y CB -0.904 37.422 38.460 -0.223 0.000 0.978 424 Y HN 0.063 nan 8.280 nan 0.000 0.513 425 H N -0.908 118.389 119.070 0.379 0.000 2.470 425 H HA 0.032 4.587 4.556 -0.001 0.000 0.289 425 H C 2.037 177.496 175.328 0.219 0.000 1.033 425 H CA 1.159 57.349 56.048 0.237 0.000 1.331 425 H CB -0.046 29.917 29.762 0.335 0.000 1.414 425 H HN 0.243 nan 8.280 nan 0.000 0.545 426 K N 0.392 120.996 120.400 0.339 0.000 2.057 426 K HA -0.160 4.159 4.320 -0.001 0.000 0.207 426 K C 2.249 178.897 176.600 0.080 0.000 1.049 426 K CA 1.255 57.682 56.287 0.234 0.000 0.931 426 K CB 0.066 32.686 32.500 0.200 0.000 0.714 426 K HN 0.028 nan 8.250 nan 0.000 0.440 427 R N 1.382 121.900 120.500 0.031 0.000 2.075 427 R HA -0.017 4.323 4.340 -0.001 0.000 0.232 427 R C 2.064 178.120 176.300 -0.407 0.000 1.126 427 R CA 1.463 57.513 56.100 -0.084 0.000 0.963 427 R CB -0.437 29.899 30.300 0.060 0.000 0.858 427 R HN 0.165 nan 8.270 nan 0.000 0.435 428 M N 0.268 119.493 119.600 -0.624 0.000 2.149 428 M HA -0.209 4.270 4.480 -0.001 0.000 0.261 428 M C 1.458 177.400 176.300 -0.597 0.000 1.064 428 M CA 2.429 57.102 55.300 -1.044 0.000 1.102 428 M CB -0.339 31.821 32.600 -0.733 0.000 1.369 428 M HN 0.284 nan 8.290 nan 0.000 0.408 429 D N -0.273 119.975 120.400 -0.252 0.000 2.116 429 D HA -0.221 4.418 4.640 -0.001 0.000 0.193 429 D C 1.891 178.102 176.300 -0.148 0.000 0.998 429 D CA 1.502 55.458 54.000 -0.073 0.000 0.836 429 D CB 0.118 41.021 40.800 0.172 0.000 0.951 429 D HN 0.230 nan 8.370 nan 0.000 0.449 430 R N 0.007 120.405 120.500 -0.171 0.000 2.115 430 R HA 0.002 4.341 4.340 -0.001 0.000 0.226 430 R C 2.433 178.622 176.300 -0.185 0.000 1.100 430 R CA 0.413 56.423 56.100 -0.150 0.000 0.980 430 R CB -0.921 29.312 30.300 -0.111 0.000 0.875 430 R HN 0.260 nan 8.270 nan 0.000 0.445 431 V N 1.557 121.265 119.914 -0.344 0.000 2.261 431 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 431 V C 2.366 178.293 176.094 -0.278 0.000 1.047 431 V CA 1.519 63.601 62.300 -0.364 0.000 1.015 431 V CB -0.582 30.724 31.823 -0.863 0.000 0.642 431 V HN 0.135 nan 8.190 nan 0.000 0.446 432 L N -0.387 120.594 121.223 -0.403 0.000 2.083 432 L HA -0.151 4.189 4.340 -0.001 0.000 0.209 432 L C 2.306 179.106 176.870 -0.117 0.000 1.083 432 L CA 1.996 56.667 54.840 -0.281 0.000 0.752 432 L CB -0.689 41.195 42.059 -0.292 0.000 0.899 432 L HN 0.333 nan 8.230 nan 0.000 0.433 433 M N -1.251 118.278 119.600 -0.117 0.000 2.088 433 M HA -0.341 4.139 4.480 -0.001 0.000 0.256 433 M C 2.382 178.642 176.300 -0.068 0.000 1.071 433 M CA 2.464 57.698 55.300 -0.110 0.000 1.097 433 M CB -0.421 32.082 32.600 -0.162 0.000 1.315 433 M HN 0.564 nan 8.290 nan 0.000 0.406 434 H N -0.802 118.227 119.070 -0.068 0.000 2.357 434 H HA -0.159 4.397 4.556 -0.001 0.000 0.301 434 H C 1.470 176.840 175.328 0.071 0.000 1.082 434 H CA 2.342 58.382 56.048 -0.012 0.000 1.342 434 H CB -0.345 29.418 29.762 0.002 0.000 1.389 434 H HN 0.483 nan 8.280 nan 0.000 0.511 435 Y N -0.469 119.685 120.300 -0.243 0.000 2.293 435 Y HA -0.142 4.408 4.550 -0.001 0.000 0.291 435 Y C 2.703 178.481 175.900 -0.203 0.000 1.137 435 Y CA 1.172 59.135 58.100 -0.227 0.000 1.202 435 Y CB -0.474 37.914 38.460 -0.120 0.000 0.990 435 Y HN 0.120 nan 8.280 nan 0.000 0.537 436 V N 0.092 119.993 119.914 -0.021 0.000 2.307 436 V HA -0.304 3.816 4.120 -0.001 0.000 0.245 436 V C 2.521 178.553 176.094 -0.103 0.000 1.045 436 V CA 2.148 64.408 62.300 -0.067 0.000 1.024 436 V CB -0.584 31.191 31.823 -0.080 0.000 0.651 436 V HN 0.301 nan 8.190 nan 0.000 0.449 437 R N 0.419 120.836 120.500 -0.137 0.000 2.083 437 R HA -0.202 4.138 4.340 -0.001 0.000 0.237 437 R C 2.258 178.491 176.300 -0.111 0.000 1.137 437 R CA 1.983 58.009 56.100 -0.123 0.000 0.951 437 R CB -0.513 29.714 30.300 -0.122 0.000 0.851 437 R HN 0.466 nan 8.270 nan 0.000 0.434 438 A N 0.569 123.261 122.820 -0.212 0.000 1.933 438 A HA -0.054 4.265 4.320 -0.001 0.000 0.218 438 A C 2.361 179.897 177.584 -0.080 0.000 1.175 438 A CA 1.597 53.573 52.037 -0.102 0.000 0.628 438 A CB -0.711 18.148 19.000 -0.235 0.000 0.814 438 A HN 0.581 nan 8.150 nan 0.000 0.444 439 A N -0.145 122.616 122.820 -0.098 0.000 1.898 439 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 439 A C 1.939 179.474 177.584 -0.081 0.000 1.181 439 A CA 1.541 53.532 52.037 -0.077 0.000 0.620 439 A CB -0.496 18.466 19.000 -0.062 0.000 0.819 439 A HN 0.616 nan 8.150 nan 0.000 0.442 440 E N -0.968 119.182 120.200 -0.084 0.000 2.106 440 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 440 E C 2.062 178.600 176.600 -0.103 0.000 0.984 440 E CA 1.315 57.658 56.400 -0.095 0.000 0.806 440 E CB -0.254 29.390 29.700 -0.093 0.000 0.750 440 E HN 0.747 nan 8.360 nan 0.000 0.458 441 M N 0.740 120.300 119.600 -0.065 0.000 2.077 441 M HA -0.146 4.334 4.480 -0.001 0.000 0.261 441 M C 2.168 178.461 176.300 -0.011 0.000 1.070 441 M CA 1.349 56.613 55.300 -0.060 0.000 1.125 441 M CB 0.031 32.687 32.600 0.095 0.000 1.339 441 M HN 0.072 nan 8.290 nan 0.000 0.409 442 L N 0.111 121.377 121.223 0.072 0.000 2.079 442 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 442 L C 2.628 179.652 176.870 0.257 0.000 1.081 442 L CA 1.720 56.661 54.840 0.168 0.000 0.752 442 L CB -0.558 41.450 42.059 -0.085 0.000 0.896 442 L HN 0.515 nan 8.230 nan 0.000 0.433 443 S N -0.997 114.776 115.700 0.121 0.000 2.527 443 S HA 0.071 4.541 4.470 -0.001 0.000 0.222 443 S C 1.991 176.761 174.600 0.283 0.000 0.985 443 S CA 0.375 58.720 58.200 0.241 0.000 0.921 443 S CB -0.002 63.146 63.200 -0.086 0.000 0.772 443 S HN 0.292 nan 8.310 nan 0.000 0.529 444 A N 0.947 123.758 122.820 -0.016 0.000 2.015 444 A HA 0.077 4.397 4.320 -0.001 0.000 0.219 444 A C 1.703 179.176 177.584 -0.185 0.000 1.163 444 A CA 0.821 52.749 52.037 -0.181 0.000 0.646 444 A CB -1.184 17.559 19.000 -0.428 0.000 0.806 444 A HN 0.764 nan 8.150 nan 0.000 0.448 445 W N -0.675 120.638 121.300 0.021 0.000 2.392 445 W HA -0.023 4.636 4.660 -0.001 0.000 0.279 445 W C 0.917 177.227 176.519 -0.348 0.000 1.225 445 W CA 1.005 58.265 57.345 -0.142 0.000 1.233 445 W CB -0.178 29.163 29.460 -0.198 0.000 1.122 445 W HN 0.394 nan 8.180 nan 0.000 0.561 446 H N -2.185 116.943 119.070 0.097 0.000 2.771 446 H HA 0.380 4.936 4.556 -0.001 0.000 0.367 446 H C -0.290 174.942 175.328 -0.159 0.000 1.172 446 H CA -0.911 55.036 56.048 -0.168 0.000 1.186 446 H CB 1.542 30.956 29.762 -0.579 0.000 1.790 446 H HN -0.428 nan 8.280 nan 0.000 0.556 447 S N 0.851 116.514 115.700 -0.061 0.000 2.537 447 S HA 0.194 4.664 4.470 -0.001 0.000 0.275 447 S C -1.098 173.397 174.600 -0.174 0.000 1.272 447 S CA -0.593 57.591 58.200 -0.027 0.000 1.050 447 S CB 0.214 63.409 63.200 -0.009 0.000 0.961 447 S HN 0.328 nan 8.310 nan 0.000 0.496 448 W N 1.344 122.645 121.300 0.002 0.000 2.666 448 W HA 0.356 5.015 4.660 -0.001 0.000 0.334 448 W C 0.035 176.511 176.519 -0.071 0.000 1.051 448 W CA -0.883 56.435 57.345 -0.045 0.000 1.224 448 W CB 0.589 29.987 29.460 -0.103 0.000 1.405 448 W HN 0.560 nan 8.180 nan 0.000 0.513 449 D N 0.740 121.220 120.400 0.133 0.000 2.423 449 D HA 0.163 4.803 4.640 -0.001 0.000 0.238 449 D C 1.650 177.953 176.300 0.006 0.000 1.142 449 D CA 1.047 55.089 54.000 0.069 0.000 0.884 449 D CB 1.257 42.122 40.800 0.108 0.000 1.199 449 D HN 0.548 nan 8.370 nan 0.000 0.438 450 G N 2.684 111.496 108.800 0.019 0.000 2.462 450 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.220 450 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.220 450 G C 1.303 176.182 174.900 -0.034 0.000 1.121 450 G CA 0.437 45.536 45.100 -0.002 0.000 0.758 450 G HN 0.467 nan 8.290 nan 0.000 0.559 451 M N 1.024 120.615 119.600 -0.015 0.000 2.460 451 M HA 0.113 4.592 4.480 -0.001 0.000 0.263 451 M C 2.749 178.982 176.300 -0.112 0.000 1.071 451 M CA 0.697 56.013 55.300 0.027 0.000 1.096 451 M CB -0.845 31.864 32.600 0.181 0.000 1.408 451 M HN 0.317 nan 8.290 nan 0.000 0.463 452 A N -0.170 122.346 122.820 -0.508 0.000 2.119 452 A HA -0.029 4.290 4.320 -0.001 0.000 0.216 452 A C 1.229 178.609 177.584 -0.340 0.000 1.152 452 A CA 0.366 51.884 52.037 -0.864 0.000 0.708 452 A CB -0.331 17.969 19.000 -1.166 0.000 0.805 452 A HN 0.583 nan 8.150 nan 0.000 0.460 453 R N -1.704 118.675 120.500 -0.201 0.000 3.641 453 R HA -0.179 4.161 4.340 -0.001 0.000 0.286 453 R C 0.667 176.863 176.300 -0.173 0.000 1.153 453 R CA 0.733 56.758 56.100 -0.125 0.000 0.775 453 R CB -2.135 28.127 30.300 -0.063 0.000 1.215 453 R HN 0.480 nan 8.270 nan 0.000 0.474 454 I N 0.496 120.910 120.570 -0.259 0.000 2.163 454 I HA -0.184 3.986 4.170 -0.001 0.000 0.240 454 I C 2.139 178.135 176.117 -0.202 0.000 1.081 454 I CA 1.661 62.760 61.300 -0.335 0.000 1.353 454 I CB -0.686 36.955 38.000 -0.599 0.000 1.054 454 I HN 0.198 nan 8.210 nan 0.000 0.407 455 E N 0.772 120.891 120.200 -0.135 0.000 2.085 455 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 455 E C 2.085 178.641 176.600 -0.073 0.000 0.994 455 E CA 1.240 57.590 56.400 -0.084 0.000 0.801 455 E CB -0.241 29.434 29.700 -0.043 0.000 0.743 455 E HN 0.462 nan 8.360 nan 0.000 0.453 456 E N 0.384 120.545 120.200 -0.066 0.000 2.038 456 E HA -0.267 4.082 4.350 -0.001 0.000 0.195 456 E C 1.976 178.538 176.600 -0.062 0.000 1.000 456 E CA 1.178 57.548 56.400 -0.049 0.000 0.803 456 E CB 0.082 29.759 29.700 -0.038 0.000 0.750 456 E HN -0.030 nan 8.360 nan 0.000 0.448 457 R N 0.242 120.694 120.500 -0.079 0.000 2.092 457 R HA -0.012 4.327 4.340 -0.001 0.000 0.231 457 R C 2.377 178.627 176.300 -0.083 0.000 1.119 457 R CA 0.865 56.920 56.100 -0.076 0.000 0.970 457 R CB -0.456 29.794 30.300 -0.084 0.000 0.864 457 R HN 0.283 nan 8.270 nan 0.000 0.440 458 L N -0.156 121.007 121.223 -0.100 0.000 2.056 458 L HA -0.127 4.212 4.340 -0.001 0.000 0.207 458 L C 2.372 179.181 176.870 -0.101 0.000 1.078 458 L CA 1.495 56.275 54.840 -0.100 0.000 0.749 458 L CB -0.432 41.561 42.059 -0.110 0.000 0.901 458 L HN 0.294 nan 8.230 nan 0.000 0.433 459 E N 0.182 120.326 120.200 -0.094 0.000 2.077 459 E HA -0.312 4.037 4.350 -0.001 0.000 0.193 459 E C 2.208 178.730 176.600 -0.129 0.000 0.989 459 E CA 1.426 57.760 56.400 -0.109 0.000 0.800 459 E CB -0.026 29.631 29.700 -0.072 0.000 0.746 459 E HN 0.430 nan 8.360 nan 0.000 0.452 460 Q N 0.069 119.813 119.800 -0.093 0.000 2.061 460 Q HA -0.233 4.106 4.340 -0.001 0.000 0.204 460 Q C 2.102 178.047 176.000 -0.092 0.000 0.984 460 Q CA 1.804 57.558 55.803 -0.082 0.000 0.846 460 Q CB -0.270 28.435 28.738 -0.055 0.000 0.902 460 Q HN 0.354 nan 8.270 nan 0.000 0.421 461 A N 1.082 123.849 122.820 -0.087 0.000 1.877 461 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 461 A C 2.106 179.624 177.584 -0.110 0.000 1.186 461 A CA 1.528 53.515 52.037 -0.084 0.000 0.620 461 A CB -0.555 18.404 19.000 -0.069 0.000 0.822 461 A HN 0.399 nan 8.150 nan 0.000 0.443 462 R N -0.810 119.606 120.500 -0.140 0.000 2.091 462 R HA -0.110 4.230 4.340 -0.001 0.000 0.238 462 R C 2.460 178.604 176.300 -0.260 0.000 1.136 462 R CA 1.647 57.639 56.100 -0.180 0.000 0.959 462 R CB -0.287 29.895 30.300 -0.196 0.000 0.856 462 R HN 0.494 nan 8.270 nan 0.000 0.437 463 R N 0.234 120.544 120.500 -0.316 0.000 2.090 463 R HA -0.067 4.272 4.340 -0.001 0.000 0.228 463 R C 2.105 178.327 176.300 -0.131 0.000 1.110 463 R CA 0.926 56.763 56.100 -0.439 0.000 0.973 463 R CB 0.020 30.074 30.300 -0.410 0.000 0.869 463 R HN 0.184 nan 8.270 nan 0.000 0.440 464 E N 0.810 120.970 120.200 -0.066 0.000 2.106 464 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 464 E C 1.972 178.597 176.600 0.043 0.000 0.984 464 E CA 0.744 57.152 56.400 0.014 0.000 0.806 464 E CB -0.236 29.462 29.700 -0.005 0.000 0.750 464 E HN 0.146 nan 8.360 nan 0.000 0.458 465 L N 1.228 122.444 121.223 -0.012 0.000 2.056 465 L HA -0.084 4.256 4.340 -0.001 0.000 0.207 465 L C 2.164 179.074 176.870 0.067 0.000 1.078 465 L CA 1.605 56.456 54.840 0.018 0.000 0.749 465 L CB -0.631 41.404 42.059 -0.040 0.000 0.901 465 L HN -0.095 nan 8.230 nan 0.000 0.433 466 S N -0.429 115.276 115.700 0.009 0.000 2.370 466 S HA -0.187 4.282 4.470 -0.001 0.000 0.226 466 S C 1.856 176.597 174.600 0.235 0.000 1.033 466 S CA 1.582 59.821 58.200 0.065 0.000 1.011 466 S CB -0.575 62.558 63.200 -0.112 0.000 0.852 466 S HN 0.447 nan 8.310 nan 0.000 0.457 467 L N 0.606 122.011 121.223 0.303 0.000 2.042 467 L HA -0.036 4.304 4.340 -0.001 0.000 0.210 467 L C 1.890 178.866 176.870 0.177 0.000 1.076 467 L CA 1.615 56.632 54.840 0.296 0.000 0.749 467 L CB -0.582 41.624 42.059 0.246 0.000 0.893 467 L HN 0.300 nan 8.230 nan 0.000 0.432 468 F N -0.395 119.527 119.950 -0.047 0.000 2.451 468 F HA -0.133 4.393 4.527 -0.001 0.000 0.299 468 F C 2.194 177.910 175.800 -0.139 0.000 1.101 468 F CA 0.822 58.681 58.000 -0.235 0.000 1.436 468 F CB -0.208 38.688 39.000 -0.175 0.000 1.074 468 F HN 0.237 nan 8.300 nan 0.000 0.553 469 Q N -0.376 119.385 119.800 -0.066 0.000 2.437 469 Q HA -0.150 4.189 4.340 -0.001 0.000 0.210 469 Q C 0.563 176.502 176.000 -0.102 0.000 0.972 469 Q CA 0.507 56.249 55.803 -0.101 0.000 0.903 469 Q CB -1.313 27.436 28.738 0.019 0.000 0.967 469 Q HN 0.513 nan 8.270 nan 0.000 0.486 470 H N 1.948 120.906 119.070 -0.186 0.000 3.073 470 H HA -0.116 4.439 4.556 -0.001 0.000 0.340 470 H C 1.321 176.502 175.328 -0.245 0.000 1.054 470 H CA 0.759 56.697 56.048 -0.182 0.000 1.372 470 H CB 0.560 30.229 29.762 -0.155 0.000 1.314 470 H HN 0.241 nan 8.280 nan 0.000 0.603 471 H N 1.966 120.604 119.070 -0.721 0.000 2.563 471 H HA -0.009 4.547 4.556 -0.001 0.000 0.272 471 H C -0.304 174.603 175.328 -0.701 0.000 1.005 471 H CA 0.720 56.323 56.048 -0.741 0.000 1.171 471 H CB 0.284 29.621 29.762 -0.709 0.000 1.351 471 H HN 0.606 nan 8.280 nan 0.000 0.602 472 D N 0.344 120.068 120.400 -1.127 0.000 2.469 472 D HA 0.130 4.770 4.640 -0.001 0.000 0.215 472 D C 1.609 177.897 176.300 -0.021 0.000 1.154 472 D CA 0.304 54.171 54.000 -0.223 0.000 0.832 472 D CB 0.846 41.739 40.800 0.155 0.000 1.008 472 D HN 0.524 nan 8.370 nan 0.000 0.506 473 G N 1.252 109.821 108.800 -0.385 0.000 2.548 473 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.221 473 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.221 473 G C 1.353 175.661 174.900 -0.987 0.000 1.796 473 G CA -0.215 44.386 45.100 -0.831 0.000 0.889 473 G HN 0.195 nan 8.290 nan 0.000 0.599 474 I N 1.970 121.658 120.570 -1.470 0.000 2.399 474 I HA -0.211 3.958 4.170 -0.001 0.000 0.254 474 I C 2.905 178.923 176.117 -0.165 0.000 1.146 474 I CA 2.135 62.906 61.300 -0.881 0.000 1.412 474 I CB -0.058 37.599 38.000 -0.571 0.000 1.076 474 I HN 0.390 nan 8.210 nan 0.000 0.432 475 T N -1.550 112.958 114.554 -0.077 0.000 3.007 475 T HA 0.001 4.351 4.350 -0.001 0.000 0.270 475 T C 1.542 176.387 174.700 0.243 0.000 1.107 475 T CA 0.648 62.892 62.100 0.240 0.000 1.118 475 T CB -0.640 68.375 68.868 0.244 0.000 0.889 475 T HN 0.664 nan 8.240 nan 0.000 0.506 476 G N 1.493 110.393 108.800 0.165 0.000 2.221 476 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.265 476 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.265 476 G C 0.531 175.505 174.900 0.123 0.000 1.041 476 G CA 0.673 45.889 45.100 0.194 0.000 0.807 476 G HN 1.176 nan 8.290 nan 0.000 0.502 477 T N -3.618 111.011 114.554 0.125 0.000 3.228 477 T HA 0.738 5.087 4.350 -0.001 0.000 0.278 477 T C 0.846 175.758 174.700 0.354 0.000 1.014 477 T CA 1.021 63.140 62.100 0.031 0.000 0.904 477 T CB 0.975 69.733 68.868 -0.184 0.000 1.110 477 T HN 1.572 nan 8.240 nan 0.000 0.541 478 A N 1.292 124.326 122.820 0.356 0.000 2.281 478 A HA 0.697 5.017 4.320 -0.001 0.000 0.329 478 A C 0.190 177.878 177.584 0.173 0.000 1.122 478 A CA -0.938 51.339 52.037 0.399 0.000 0.850 478 A CB 0.871 20.140 19.000 0.448 0.000 1.207 478 A HN 0.404 nan 8.150 nan 0.000 0.495 479 K N -0.171 120.260 120.400 0.052 0.000 2.336 479 K HA 0.137 4.456 4.320 -0.001 0.000 0.262 479 K C 1.087 177.697 176.600 0.016 0.000 0.992 479 K CA 0.383 56.678 56.287 0.013 0.000 0.927 479 K CB 0.332 32.830 32.500 -0.002 0.000 0.956 479 K HN 0.739 nan 8.250 nan 0.000 0.495 480 T N 1.288 115.881 114.554 0.064 0.000 2.665 480 T HA -0.205 4.145 4.350 -0.001 0.000 0.268 480 T C 1.668 176.402 174.700 0.057 0.000 1.035 480 T CA 1.835 63.975 62.100 0.067 0.000 1.151 480 T CB -0.414 68.501 68.868 0.079 0.000 0.862 480 T HN 0.691 nan 8.240 nan 0.000 0.438 481 H N 0.553 119.618 119.070 -0.009 0.000 2.495 481 H HA 0.098 4.654 4.556 -0.001 0.000 0.287 481 H C 2.007 177.308 175.328 -0.044 0.000 1.033 481 H CA 0.874 56.909 56.048 -0.022 0.000 1.307 481 H CB -0.731 29.014 29.762 -0.029 0.000 1.401 481 H HN 0.279 nan 8.280 nan 0.000 0.555 482 V N 1.182 120.760 119.914 -0.559 0.000 2.407 482 V HA -0.167 3.953 4.120 -0.001 0.000 0.245 482 V C 3.044 178.960 176.094 -0.297 0.000 1.041 482 V CA 1.083 63.082 62.300 -0.502 0.000 1.040 482 V CB -0.473 31.099 31.823 -0.417 0.000 0.671 482 V HN 0.228 nan 8.190 nan 0.000 0.455 483 V N 0.110 119.983 119.914 -0.068 0.000 2.324 483 V HA -0.261 3.859 4.120 -0.001 0.000 0.250 483 V C 2.480 178.552 176.094 -0.037 0.000 1.060 483 V CA 2.082 64.394 62.300 0.020 0.000 1.042 483 V CB -0.618 31.179 31.823 -0.044 0.000 0.650 483 V HN 0.414 nan 8.190 nan 0.000 0.450 484 V N 0.381 120.281 119.914 -0.023 0.000 2.332 484 V HA -0.319 3.801 4.120 -0.001 0.000 0.248 484 V C 2.310 178.416 176.094 0.019 0.000 1.055 484 V CA 2.479 64.795 62.300 0.027 0.000 1.038 484 V CB -0.714 31.136 31.823 0.044 0.000 0.651 484 V HN 0.655 nan 8.190 nan 0.000 0.450 485 D N -1.080 119.288 120.400 -0.054 0.000 2.097 485 D HA -0.208 4.432 4.640 -0.001 0.000 0.195 485 D C 2.010 178.311 176.300 0.003 0.000 0.989 485 D CA 1.540 55.502 54.000 -0.063 0.000 0.827 485 D CB -0.176 40.529 40.800 -0.159 0.000 0.966 485 D HN 0.490 nan 8.370 nan 0.000 0.456 486 Y N 0.998 121.331 120.300 0.055 0.000 2.165 486 Y HA -0.080 4.469 4.550 -0.001 0.000 0.286 486 Y C 2.441 178.307 175.900 -0.057 0.000 1.155 486 Y CA 1.326 59.453 58.100 0.046 0.000 1.164 486 Y CB -0.796 37.763 38.460 0.164 0.000 0.978 486 Y HN 0.158 nan 8.280 nan 0.000 0.513 487 E N 0.079 120.369 120.200 0.149 0.000 2.051 487 E HA -0.263 4.087 4.350 -0.001 0.000 0.192 487 E C 2.030 178.698 176.600 0.114 0.000 0.991 487 E CA 1.455 57.958 56.400 0.170 0.000 0.799 487 E CB -0.065 29.820 29.700 0.309 0.000 0.748 487 E HN 0.574 nan 8.360 nan 0.000 0.449 488 Q N -0.052 119.804 119.800 0.092 0.000 2.084 488 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 488 Q C 2.350 178.379 176.000 0.049 0.000 0.978 488 Q CA 1.459 57.301 55.803 0.066 0.000 0.844 488 Q CB -0.082 28.687 28.738 0.052 0.000 0.898 488 Q HN 0.202 nan 8.270 nan 0.000 0.426 489 R N 0.060 120.593 120.500 0.055 0.000 2.083 489 R HA -0.095 4.244 4.340 -0.001 0.000 0.237 489 R C 2.285 178.590 176.300 0.009 0.000 1.137 489 R CA 1.549 57.674 56.100 0.042 0.000 0.951 489 R CB -0.188 30.161 30.300 0.081 0.000 0.851 489 R HN 0.301 nan 8.270 nan 0.000 0.434 490 M N 0.236 119.828 119.600 -0.013 0.000 2.229 490 M HA -0.190 4.290 4.480 -0.001 0.000 0.264 490 M C 2.185 178.451 176.300 -0.056 0.000 1.063 490 M CA 1.611 56.864 55.300 -0.079 0.000 1.114 490 M CB -0.207 32.282 32.600 -0.185 0.000 1.387 490 M HN 0.220 nan 8.290 nan 0.000 0.420 491 Q N 0.020 119.822 119.800 0.004 0.000 2.084 491 Q HA -0.172 4.168 4.340 -0.001 0.000 0.202 491 Q C 1.975 177.979 176.000 0.008 0.000 0.978 491 Q CA 1.082 56.903 55.803 0.029 0.000 0.844 491 Q CB -0.009 28.769 28.738 0.066 0.000 0.898 491 Q HN 0.409 nan 8.270 nan 0.000 0.426 492 E N 0.372 120.575 120.200 0.005 0.000 2.106 492 E HA -0.138 4.212 4.350 -0.001 0.000 0.192 492 E C 1.926 178.517 176.600 -0.015 0.000 0.984 492 E CA 1.077 57.477 56.400 0.000 0.000 0.806 492 E CB -0.231 29.470 29.700 0.003 0.000 0.750 492 E HN 0.345 nan 8.360 nan 0.000 0.458 493 A N 1.212 124.014 122.820 -0.031 0.000 1.902 493 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 493 A C 2.401 179.958 177.584 -0.045 0.000 1.181 493 A CA 1.099 53.108 52.037 -0.047 0.000 0.623 493 A CB -0.732 18.228 19.000 -0.066 0.000 0.818 493 A HN 0.185 nan 8.150 nan 0.000 0.443 494 L N -0.769 120.410 121.223 -0.074 0.000 2.046 494 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 494 L C 2.612 179.499 176.870 0.027 0.000 1.077 494 L CA 1.756 56.542 54.840 -0.090 0.000 0.747 494 L CB -0.393 41.548 42.059 -0.196 0.000 0.896 494 L HN 0.366 nan 8.230 nan 0.000 0.432 495 K N -0.171 120.241 120.400 0.020 0.000 2.097 495 K HA -0.140 4.180 4.320 -0.001 0.000 0.206 495 K C 2.234 178.855 176.600 0.034 0.000 1.049 495 K CA 1.279 57.589 56.287 0.038 0.000 0.933 495 K CB -0.249 32.264 32.500 0.022 0.000 0.717 495 K HN 0.287 nan 8.250 nan 0.000 0.442 496 A N 1.136 123.963 122.820 0.013 0.000 1.877 496 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 496 A C 2.434 180.022 177.584 0.006 0.000 1.186 496 A CA 1.583 53.618 52.037 -0.004 0.000 0.620 496 A CB -1.042 17.943 19.000 -0.025 0.000 0.822 496 A HN 0.416 nan 8.150 nan 0.000 0.443 497 C N -0.968 118.354 119.300 0.037 0.000 2.429 497 C HA -0.143 4.317 4.460 -0.001 0.000 0.277 497 C C 2.923 177.967 174.990 0.091 0.000 1.262 497 C CA 1.231 60.288 59.018 0.064 0.000 1.733 497 C CB -1.482 26.347 27.740 0.149 0.000 2.010 497 C HN 0.687 nan 8.230 nan 0.000 0.483 498 Q N -0.225 119.661 119.800 0.143 0.000 2.096 498 Q HA -0.273 4.067 4.340 -0.001 0.000 0.204 498 Q C 2.201 178.273 176.000 0.121 0.000 0.982 498 Q CA 1.891 57.781 55.803 0.145 0.000 0.850 498 Q CB -0.343 28.488 28.738 0.154 0.000 0.901 498 Q HN 0.632 nan 8.270 nan 0.000 0.422 499 M N 0.224 119.867 119.600 0.072 0.000 2.080 499 M HA -0.143 4.336 4.480 -0.001 0.000 0.260 499 M C 1.915 178.234 176.300 0.032 0.000 1.068 499 M CA 1.555 56.887 55.300 0.054 0.000 1.109 499 M CB -0.360 32.252 32.600 0.019 0.000 1.342 499 M HN 0.015 nan 8.290 nan 0.000 0.405 500 V N 0.214 120.110 119.914 -0.030 0.000 2.295 500 V HA -0.303 3.817 4.120 -0.001 0.000 0.246 500 V C 2.433 178.487 176.094 -0.066 0.000 1.049 500 V CA 2.196 64.420 62.300 -0.126 0.000 1.024 500 V CB -0.706 31.018 31.823 -0.164 0.000 0.648 500 V HN 0.555 nan 8.190 nan 0.000 0.447 501 M N 0.289 119.902 119.600 0.022 0.000 2.080 501 M HA -0.281 4.198 4.480 -0.001 0.000 0.260 501 M C 2.391 178.733 176.300 0.071 0.000 1.068 501 M CA 2.543 57.889 55.300 0.077 0.000 1.109 501 M CB -0.508 32.225 32.600 0.222 0.000 1.342 501 M HN 0.551 nan 8.290 nan 0.000 0.405 502 Q N -0.247 119.680 119.800 0.211 0.000 2.123 502 Q HA -0.130 4.210 4.340 -0.001 0.000 0.199 502 Q C 1.814 177.993 176.000 0.297 0.000 0.966 502 Q CA 1.151 57.102 55.803 0.246 0.000 0.845 502 Q CB -0.625 28.370 28.738 0.428 0.000 0.907 502 Q HN 0.422 nan 8.270 nan 0.000 0.439 503 Q N 0.620 120.584 119.800 0.273 0.000 2.084 503 Q HA -0.084 4.255 4.340 -0.001 0.000 0.202 503 Q C 2.284 178.532 176.000 0.413 0.000 0.978 503 Q CA 1.770 57.807 55.803 0.390 0.000 0.844 503 Q CB -0.250 28.631 28.738 0.237 0.000 0.898 503 Q HN 0.518 nan 8.270 nan 0.000 0.426 504 S N 0.392 116.220 115.700 0.214 0.000 2.368 504 S HA -0.090 4.380 4.470 -0.001 0.000 0.224 504 S C 2.232 176.869 174.600 0.063 0.000 1.029 504 S CA 1.084 59.453 58.200 0.282 0.000 0.988 504 S CB -0.245 63.052 63.200 0.162 0.000 0.838 504 S HN 0.133 nan 8.310 nan 0.000 0.462 505 V N 0.910 120.731 119.914 -0.155 0.000 2.287 505 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 505 V C 2.023 178.093 176.094 -0.041 0.000 1.053 505 V CA 1.926 64.011 62.300 -0.358 0.000 1.027 505 V CB -0.803 30.390 31.823 -1.050 0.000 0.646 505 V HN 0.555 nan 8.190 nan 0.000 0.447 506 Y N 1.264 121.623 120.300 0.097 0.000 2.165 506 Y HA -0.255 4.295 4.550 -0.001 0.000 0.286 506 Y C 2.735 178.708 175.900 0.123 0.000 1.155 506 Y CA 2.205 60.447 58.100 0.237 0.000 1.164 506 Y CB -0.363 38.141 38.460 0.072 0.000 0.978 506 Y HN 0.085 nan 8.280 nan 0.000 0.513 507 R N -0.158 120.242 120.500 -0.166 0.000 2.092 507 R HA -0.101 4.239 4.340 -0.001 0.000 0.231 507 R C 2.178 178.161 176.300 -0.528 0.000 1.119 507 R CA 1.578 57.233 56.100 -0.741 0.000 0.970 507 R CB -0.368 29.489 30.300 -0.739 0.000 0.864 507 R HN 0.447 nan 8.270 nan 0.000 0.440 508 L N 0.205 121.261 121.223 -0.277 0.000 2.291 508 L HA -0.070 4.270 4.340 -0.001 0.000 0.214 508 L C 1.403 178.149 176.870 -0.206 0.000 1.120 508 L CA 0.802 55.443 54.840 -0.331 0.000 0.799 508 L CB 0.130 41.824 42.059 -0.607 0.000 0.925 508 L HN 0.234 nan 8.230 nan 0.000 0.446 509 L N -1.406 119.794 121.223 -0.039 0.000 3.122 509 L HA 0.224 4.564 4.340 -0.001 0.000 0.274 509 L C -0.209 176.733 176.870 0.121 0.000 1.222 509 L CA -0.102 54.807 54.840 0.114 0.000 1.028 509 L CB 0.607 42.880 42.059 0.356 0.000 1.386 509 L HN -0.012 nan 8.230 nan 0.000 0.578 510 T N 0.118 114.666 114.554 -0.010 0.000 2.829 510 T HA 0.189 4.538 4.350 -0.001 0.000 0.280 510 T C -0.133 174.499 174.700 -0.114 0.000 0.999 510 T CA -0.558 61.522 62.100 -0.032 0.000 0.983 510 T CB 2.386 71.214 68.868 -0.067 0.000 0.968 510 T HN 0.007 nan 8.240 nan 0.000 0.446 511 K N 3.767 124.114 120.400 -0.089 0.000 2.504 511 K HA -0.021 4.299 4.320 -0.001 0.000 0.278 511 K C -1.728 174.843 176.600 -0.049 0.000 1.025 511 K CA -1.040 55.204 56.287 -0.072 0.000 1.093 511 K CB 0.423 32.886 32.500 -0.061 0.000 0.873 511 K HN 0.182 nan 8.250 nan 0.000 0.483 512 P HA -0.194 nan 4.420 nan 0.000 0.216 512 P C 0.760 178.072 177.300 0.020 0.000 1.150 512 P CA 1.445 64.520 63.100 -0.042 0.000 0.843 512 P CB 0.169 31.839 31.700 -0.051 0.000 0.787 513 S N -2.231 113.473 115.700 0.007 0.000 2.607 513 S HA 0.056 4.526 4.470 -0.001 0.000 0.224 513 S C 1.653 176.267 174.600 0.024 0.000 0.969 513 S CA 0.473 58.682 58.200 0.015 0.000 0.927 513 S CB -1.109 62.092 63.200 0.002 0.000 0.772 513 S HN 0.104 nan 8.310 nan 0.000 0.533 514 I N -0.758 119.835 120.570 0.037 0.000 3.339 514 I HA 0.199 4.368 4.170 -0.001 0.000 0.285 514 I C 0.613 176.782 176.117 0.087 0.000 1.201 514 I CA -0.374 60.957 61.300 0.051 0.000 1.434 514 I CB -0.076 37.952 38.000 0.046 0.000 1.152 514 I HN 0.259 nan 8.210 nan 0.000 0.443 515 Y N 2.796 123.051 120.300 -0.075 0.000 2.865 515 Y HA -0.067 4.483 4.550 -0.001 0.000 0.338 515 Y C 0.454 176.334 175.900 -0.033 0.000 1.269 515 Y CA 0.055 58.072 58.100 -0.140 0.000 1.585 515 Y CB 0.367 38.676 38.460 -0.252 0.000 1.224 515 Y HN -0.118 nan 8.280 nan 0.000 0.554 516 S N 8.750 124.256 115.700 -0.323 0.000 2.293 516 S HA 0.357 4.827 4.470 -0.001 0.000 0.154 516 S C -2.868 171.548 174.600 -0.306 0.000 1.602 516 S CA -1.179 56.840 58.200 -0.301 0.000 1.260 516 S CB -0.074 63.067 63.200 -0.099 0.000 1.270 516 S HN 0.642 nan 8.310 nan 0.000 0.416 517 P HA 0.338 nan 4.420 nan 0.000 0.279 517 P C -1.135 175.913 177.300 -0.419 0.000 1.239 517 P CA -0.218 62.660 63.100 -0.371 0.000 0.789 517 P CB 0.868 32.257 31.700 -0.519 0.000 0.933 518 D N 2.210 122.543 120.400 -0.111 0.000 2.392 518 D HA 0.149 4.789 4.640 -0.001 0.000 0.228 518 D C 0.211 176.531 176.300 0.034 0.000 1.074 518 D CA -0.679 53.234 54.000 -0.145 0.000 0.838 518 D CB 0.222 40.959 40.800 -0.106 0.000 1.067 518 D HN 0.051 nan 8.370 nan 0.000 0.511 519 F N 1.679 121.741 119.950 0.186 0.000 2.699 519 F HA -0.038 4.488 4.527 -0.001 0.000 0.298 519 F C 2.417 178.293 175.800 0.126 0.000 1.154 519 F CA 0.518 58.630 58.000 0.188 0.000 1.457 519 F CB -0.397 38.696 39.000 0.155 0.000 1.106 519 F HN 0.382 nan 8.300 nan 0.000 0.585 520 S N -1.692 114.148 115.700 0.234 0.000 2.524 520 S HA 0.100 4.569 4.470 -0.001 0.000 0.215 520 S C 0.370 175.016 174.600 0.077 0.000 0.986 520 S CA -0.397 57.884 58.200 0.135 0.000 0.911 520 S CB -0.630 62.628 63.200 0.098 0.000 0.805 520 S HN 0.104 nan 8.310 nan 0.000 0.501 521 F N 2.935 122.815 119.950 -0.116 0.000 2.375 521 F HA 0.596 5.123 4.527 -0.001 0.000 0.333 521 F C 0.398 175.977 175.800 -0.367 0.000 1.104 521 F CA -0.784 57.014 58.000 -0.335 0.000 1.149 521 F CB 1.662 40.292 39.000 -0.615 0.000 1.190 521 F HN 0.063 nan 8.300 nan 0.000 0.533 522 S N 5.223 120.204 115.700 -1.199 0.000 2.464 522 S HA 0.199 4.669 4.470 -0.001 0.000 0.313 522 S C 0.491 174.451 174.600 -1.067 0.000 1.078 522 S CA -0.405 57.305 58.200 -0.817 0.000 1.096 522 S CB -0.367 62.475 63.200 -0.596 0.000 1.032 522 S HN 0.660 nan 8.310 nan 0.000 0.498 523 Y N 3.896 123.961 120.300 -0.392 0.000 2.314 523 Y HA 0.225 4.774 4.550 -0.001 0.000 0.293 523 Y C 0.305 175.656 175.900 -0.915 0.000 1.129 523 Y CA 0.713 58.474 58.100 -0.567 0.000 1.201 523 Y CB 0.138 38.333 38.460 -0.442 0.000 0.999 523 Y HN 0.591 nan 8.280 nan 0.000 0.541 524 F N -1.357 118.555 119.950 -0.064 0.000 2.599 524 F HA 0.443 4.969 4.527 -0.001 0.000 0.311 524 F C -0.027 175.803 175.800 0.049 0.000 1.076 524 F CA -1.579 56.445 58.000 0.040 0.000 0.937 524 F CB 1.531 40.693 39.000 0.271 0.000 1.282 524 F HN -0.402 nan 8.300 nan 0.000 0.460 525 T N 0.331 115.037 114.554 0.252 0.000 2.859 525 T HA 0.695 5.045 4.350 -0.001 0.000 0.281 525 T C -0.522 174.290 174.700 0.187 0.000 1.005 525 T CA -0.796 61.404 62.100 0.167 0.000 1.025 525 T CB 1.077 69.987 68.868 0.071 0.000 0.977 525 T HN 0.513 nan 8.240 nan 0.000 0.458 526 L N 2.098 123.365 121.223 0.074 0.000 2.426 526 L HA 0.391 4.730 4.340 -0.001 0.000 0.271 526 L C 0.158 177.018 176.870 -0.016 0.000 1.169 526 L CA -0.253 54.529 54.840 -0.097 0.000 0.836 526 L CB 0.664 42.647 42.059 -0.128 0.000 1.112 526 L HN 0.812 nan 8.230 nan 0.000 0.465 527 D N 1.543 121.908 120.400 -0.059 0.000 2.481 527 D HA 0.211 4.851 4.640 -0.001 0.000 0.246 527 D C -1.250 174.975 176.300 -0.126 0.000 1.109 527 D CA -0.383 53.582 54.000 -0.058 0.000 0.845 527 D CB 1.099 41.892 40.800 -0.012 0.000 1.160 527 D HN 0.283 nan 8.370 nan 0.000 0.534 528 D N 2.376 122.730 120.400 -0.077 0.000 2.481 528 D HA 0.193 4.832 4.640 -0.001 0.000 0.246 528 D C 0.110 176.357 176.300 -0.089 0.000 1.109 528 D CA -0.461 53.517 54.000 -0.036 0.000 0.845 528 D CB 1.893 42.779 40.800 0.144 0.000 1.160 528 D HN 0.247 nan 8.370 nan 0.000 0.534 529 S N 2.695 118.314 115.700 -0.135 0.000 2.489 529 S HA 0.020 4.490 4.470 -0.001 0.000 0.228 529 S C 1.346 175.907 174.600 -0.065 0.000 0.995 529 S CA 0.560 58.673 58.200 -0.145 0.000 0.934 529 S CB 0.368 63.471 63.200 -0.163 0.000 0.771 529 S HN 0.496 nan 8.310 nan 0.000 0.522 530 R N -0.618 119.878 120.500 -0.007 0.000 2.535 530 R HA 0.224 4.564 4.340 -0.001 0.000 0.323 530 R C -0.718 175.661 176.300 0.132 0.000 0.979 530 R CA -0.109 56.012 56.100 0.036 0.000 1.120 530 R CB 0.788 31.106 30.300 0.030 0.000 1.306 530 R HN 0.334 nan 8.270 nan 0.000 0.540 531 W N 1.380 122.635 121.300 -0.076 0.000 3.405 531 W HA 0.284 4.944 4.660 -0.001 0.000 0.329 531 W C -2.890 173.584 176.519 -0.075 0.000 1.142 531 W CA -1.948 55.338 57.345 -0.098 0.000 1.235 531 W CB 1.794 31.178 29.460 -0.128 0.000 1.341 531 W HN -0.186 nan 8.180 nan 0.000 0.481 532 P HA 0.087 nan 4.420 nan 0.000 0.226 532 P C 0.385 177.315 177.300 -0.616 0.000 1.153 532 P CA 1.767 63.994 63.100 -1.455 0.000 0.777 532 P CB 0.297 31.366 31.700 -1.052 0.000 0.794 533 G N -1.074 107.538 108.800 -0.312 0.000 2.617 533 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.686 533 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.686 533 G C -0.457 174.391 174.900 -0.087 0.000 1.214 533 G CA -0.480 44.533 45.100 -0.144 0.000 0.796 533 G HN 0.103 nan 8.290 nan 0.000 0.654 534 S N 0.179 115.872 115.700 -0.012 0.000 2.544 534 S HA 0.508 4.978 4.470 -0.001 0.000 0.290 534 S C 1.866 176.488 174.600 0.036 0.000 1.276 534 S CA 2.028 60.258 58.200 0.050 0.000 1.075 534 S CB 0.165 63.434 63.200 0.115 0.000 0.849 534 S HN 2.716 nan 8.310 nan 0.000 0.494 535 G N 2.813 111.639 108.800 0.042 0.000 2.179 535 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.260 535 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.260 535 G C 0.580 175.472 174.900 -0.014 0.000 0.977 535 G CA 0.363 45.484 45.100 0.036 0.000 0.641 535 G HN 0.892 nan 8.290 nan 0.000 0.533 536 V N -0.515 119.366 119.914 -0.054 0.000 2.743 536 V HA 0.442 4.562 4.120 -0.001 0.000 0.237 536 V C 0.841 176.873 176.094 -0.103 0.000 1.113 536 V CA 1.724 63.968 62.300 -0.092 0.000 1.141 536 V CB 0.872 32.603 31.823 -0.153 0.000 0.873 536 V HN 0.456 nan 8.190 nan 0.000 0.486 537 E N 0.003 120.131 120.200 -0.119 0.000 2.308 537 E HA 0.222 4.572 4.350 -0.001 0.000 0.275 537 E C -1.728 174.837 176.600 -0.058 0.000 0.890 537 E CA -0.557 55.784 56.400 -0.099 0.000 0.754 537 E CB 1.904 31.515 29.700 -0.148 0.000 1.207 537 E HN 0.144 nan 8.360 nan 0.000 0.426 538 D N 2.339 122.724 120.400 -0.024 0.000 2.494 538 D HA 0.103 4.743 4.640 -0.001 0.000 0.217 538 D C 0.299 176.602 176.300 0.006 0.000 1.153 538 D CA 0.202 54.209 54.000 0.012 0.000 0.954 538 D CB 0.587 41.398 40.800 0.019 0.000 1.034 538 D HN 0.407 nan 8.370 nan 0.000 0.518 539 S N 2.341 118.038 115.700 -0.004 0.000 2.554 539 S HA 0.200 4.670 4.470 -0.001 0.000 0.227 539 S C 0.940 175.543 174.600 0.004 0.000 1.050 539 S CA -0.405 57.786 58.200 -0.013 0.000 0.927 539 S CB 0.633 63.803 63.200 -0.049 0.000 0.859 539 S HN 0.198 nan 8.310 nan 0.000 0.494 540 R N 2.840 123.345 120.500 0.008 0.000 2.490 540 R HA 0.411 4.750 4.340 -0.001 0.000 0.280 540 R C -0.007 176.337 176.300 0.074 0.000 1.077 540 R CA 0.228 56.320 56.100 -0.013 0.000 1.065 540 R CB 0.654 30.841 30.300 -0.188 0.000 1.003 540 R HN 0.465 nan 8.270 nan 0.000 0.470 541 T N -0.807 113.792 114.554 0.074 0.000 2.889 541 T HA 0.180 4.530 4.350 -0.001 0.000 0.291 541 T C 0.279 175.089 174.700 0.183 0.000 0.995 541 T CA -0.762 61.405 62.100 0.112 0.000 1.092 541 T CB 1.359 70.281 68.868 0.090 0.000 0.954 541 T HN 0.342 nan 8.240 nan 0.000 0.506 542 T N 3.817 118.486 114.554 0.191 0.000 2.832 542 T HA 0.351 4.700 4.350 -0.001 0.000 0.296 542 T C 0.548 175.354 174.700 0.177 0.000 0.968 542 T CA -0.482 61.751 62.100 0.221 0.000 1.107 542 T CB 0.133 69.090 68.868 0.149 0.000 0.916 542 T HN 0.569 nan 8.240 nan 0.000 0.517 543 I N 4.096 124.790 120.570 0.207 0.000 2.421 543 I HA 0.194 4.363 4.170 -0.001 0.000 0.291 543 I C 0.182 176.385 176.117 0.144 0.000 1.089 543 I CA 0.007 61.407 61.300 0.167 0.000 1.354 543 I CB 0.180 38.282 38.000 0.169 0.000 1.413 543 I HN 0.446 nan 8.210 nan 0.000 0.513 544 I N 8.079 128.719 120.570 0.116 0.000 2.297 544 I HA 0.333 4.503 4.170 -0.001 0.000 0.291 544 I C -0.186 175.991 176.117 0.099 0.000 1.033 544 I CA -0.230 61.130 61.300 0.100 0.000 1.253 544 I CB 0.575 38.621 38.000 0.077 0.000 1.396 544 I HN 0.392 nan 8.210 nan 0.000 0.476 545 L N 5.715 127.000 121.223 0.104 0.000 2.319 545 L HA 0.961 5.301 4.340 -0.001 0.000 0.267 545 L C 0.132 177.058 176.870 0.093 0.000 1.011 545 L CA -0.697 54.205 54.840 0.102 0.000 0.818 545 L CB 2.208 44.334 42.059 0.112 0.000 1.316 545 L HN 0.696 nan 8.230 nan 0.000 0.432 546 G N -0.055 108.797 108.800 0.086 0.000 2.429 546 G HA2 0.101 4.061 3.960 -0.001 0.000 0.300 546 G HA3 0.101 4.061 3.960 -0.001 0.000 0.300 546 G C -0.254 174.688 174.900 0.069 0.000 1.598 546 G CA -0.464 44.683 45.100 0.079 0.000 0.863 546 G HN 0.685 nan 8.290 nan 0.000 0.614 547 E N -0.121 120.117 120.200 0.064 0.000 2.153 547 E HA -0.130 4.219 4.350 -0.001 0.000 0.194 547 E C 0.760 177.388 176.600 0.046 0.000 0.988 547 E CA 1.304 57.736 56.400 0.053 0.000 0.811 547 E CB 0.157 29.885 29.700 0.047 0.000 0.746 547 E HN 0.445 nan 8.360 nan 0.000 0.466 548 D N -0.211 120.216 120.400 0.045 0.000 2.325 548 D HA 0.088 4.728 4.640 -0.001 0.000 0.225 548 D C 1.238 177.562 176.300 0.040 0.000 1.096 548 D CA 0.208 54.231 54.000 0.039 0.000 0.844 548 D CB 0.828 41.649 40.800 0.034 0.000 0.925 548 D HN 0.338 nan 8.370 nan 0.000 0.513 549 I N -0.988 119.611 120.570 0.048 0.000 4.147 549 I HA 0.112 4.282 4.170 -0.001 0.000 0.278 549 I C -1.348 174.804 176.117 0.058 0.000 1.133 549 I CA 0.046 61.376 61.300 0.050 0.000 1.317 549 I CB 1.250 39.280 38.000 0.050 0.000 1.688 549 I HN -0.184 nan 8.210 nan 0.000 0.432 550 L N 2.067 123.330 121.223 0.068 0.000 2.830 550 L HA 0.458 4.797 4.340 -0.001 0.000 0.259 550 L C -2.517 174.404 176.870 0.086 0.000 0.943 550 L CA -0.883 54.005 54.840 0.080 0.000 0.997 550 L CB 1.560 43.673 42.059 0.090 0.000 1.427 550 L HN -0.158 nan 8.230 nan 0.000 0.456 551 P HA 0.062 nan 4.420 nan 0.000 0.222 551 P C -0.172 177.184 177.300 0.094 0.000 1.153 551 P CA 0.912 64.062 63.100 0.082 0.000 0.798 551 P CB 0.332 32.075 31.700 0.070 0.000 0.796 552 S N -2.344 113.423 115.700 0.113 0.000 2.625 552 S HA 0.722 5.191 4.470 -0.001 0.000 0.271 552 S C -1.313 173.395 174.600 0.179 0.000 1.161 552 S CA -0.743 57.534 58.200 0.129 0.000 0.820 552 S CB 2.451 65.724 63.200 0.121 0.000 1.137 552 S HN -0.123 nan 8.310 nan 0.000 0.470 553 K N 0.622 121.140 120.400 0.196 0.000 2.535 553 K HA 0.558 4.877 4.320 -0.001 0.000 0.251 553 K C -2.017 174.769 176.600 0.310 0.000 0.942 553 K CA -0.231 56.215 56.287 0.265 0.000 0.798 553 K CB 0.902 33.514 32.500 0.186 0.000 1.267 553 K HN 0.837 nan 8.250 nan 0.000 0.434 554 H N 0.988 120.202 119.070 0.239 0.000 2.610 554 H HA 0.423 4.978 4.556 -0.001 0.000 0.336 554 H C -0.181 175.373 175.328 0.376 0.000 1.087 554 H CA -0.122 56.116 56.048 0.316 0.000 1.405 554 H CB 0.948 30.981 29.762 0.453 0.000 1.460 554 H HN 0.398 nan 8.280 nan 0.000 0.538 555 V N 1.111 121.266 119.914 0.401 0.000 2.914 555 V HA 0.784 4.904 4.120 -0.001 0.000 0.314 555 V C -0.679 175.738 176.094 0.537 0.000 1.084 555 V CA -0.871 61.666 62.300 0.395 0.000 0.963 555 V CB 2.107 33.906 31.823 -0.040 0.000 1.025 555 V HN 0.452 nan 8.190 nan 0.000 0.432 556 V N 3.906 124.160 119.914 0.566 0.000 2.709 556 V HA 0.626 4.746 4.120 -0.001 0.000 0.308 556 V C -0.463 175.969 176.094 0.564 0.000 1.062 556 V CA -0.389 62.208 62.300 0.494 0.000 0.901 556 V CB 1.845 33.811 31.823 0.239 0.000 1.003 556 V HN 0.942 nan 8.190 nan 0.000 0.425 557 M N 4.055 123.958 119.600 0.505 0.000 2.336 557 M HA 0.485 4.964 4.480 -0.001 0.000 0.342 557 M C -0.470 176.083 176.300 0.421 0.000 1.128 557 M CA -0.250 55.318 55.300 0.446 0.000 1.016 557 M CB 1.120 33.930 32.600 0.350 0.000 1.665 557 M HN 0.751 nan 8.290 nan 0.000 0.445 558 H N 1.981 121.248 119.070 0.329 0.000 2.472 558 H HA 0.476 5.032 4.556 -0.001 0.000 0.338 558 H C -1.287 174.149 175.328 0.180 0.000 1.133 558 H CA -0.574 55.630 56.048 0.260 0.000 1.216 558 H CB 1.165 31.138 29.762 0.351 0.000 1.497 558 H HN 0.644 nan 8.280 nan 0.000 0.500 559 N N 3.069 121.535 118.700 -0.389 0.000 2.569 559 N HA 0.036 4.775 4.740 -0.001 0.000 0.254 559 N C 0.333 175.504 175.510 -0.566 0.000 1.004 559 N CA -0.306 52.523 53.050 -0.369 0.000 0.904 559 N CB 1.558 39.933 38.487 -0.186 0.000 1.165 559 N HN 0.637 nan 8.380 nan 0.000 0.513 560 T N 2.841 117.108 114.554 -0.479 0.000 3.035 560 T HA 0.150 4.500 4.350 -0.001 0.000 0.268 560 T C 0.696 175.357 174.700 -0.065 0.000 1.109 560 T CA 0.559 62.548 62.100 -0.185 0.000 1.119 560 T CB -0.240 68.668 68.868 0.067 0.000 0.900 560 T HN 0.418 nan 8.240 nan 0.000 0.503 561 L N 2.697 123.830 121.223 -0.149 0.000 2.395 561 L HA 0.316 4.656 4.340 -0.001 0.000 0.269 561 L C -1.642 175.089 176.870 -0.232 0.000 1.133 561 L CA -1.958 52.763 54.840 -0.198 0.000 0.812 561 L CB 0.677 42.492 42.059 -0.406 0.000 1.125 561 L HN -0.052 nan 8.230 nan 0.000 0.452 562 P HA 0.064 nan 4.420 nan 0.000 0.235 562 P C -1.007 176.312 177.300 0.031 0.000 1.725 562 P CA 0.275 63.365 63.100 -0.017 0.000 0.894 562 P CB -0.351 31.395 31.700 0.076 0.000 1.704 563 H N -3.105 115.981 119.070 0.026 0.000 3.012 563 H HA 0.239 4.794 4.556 -0.001 0.000 0.367 563 H C -0.989 174.361 175.328 0.037 0.000 1.211 563 H CA -1.074 55.009 56.048 0.058 0.000 1.139 563 H CB 0.014 29.841 29.762 0.107 0.000 1.838 563 H HN -0.128 nan 8.280 nan 0.000 0.550 564 W N 1.798 123.201 121.300 0.173 0.000 2.314 564 W HA 0.181 4.841 4.660 -0.001 0.000 0.339 564 W C 0.924 177.545 176.519 0.170 0.000 1.293 564 W CA 0.498 57.914 57.345 0.117 0.000 1.288 564 W CB 0.397 29.914 29.460 0.094 0.000 1.186 564 W HN 0.503 nan 8.180 nan 0.000 0.566 565 R N 2.394 123.093 120.500 0.332 0.000 2.604 565 R HA 0.292 4.632 4.340 -0.001 0.000 0.281 565 R C -1.029 175.402 176.300 0.218 0.000 1.020 565 R CA -0.673 55.576 56.100 0.249 0.000 0.899 565 R CB 1.390 31.762 30.300 0.120 0.000 1.205 565 R HN 0.495 nan 8.270 nan 0.000 0.450 566 E N 2.480 122.787 120.200 0.178 0.000 2.191 566 E HA 0.259 4.608 4.350 -0.001 0.000 0.274 566 E C -1.207 175.439 176.600 0.077 0.000 0.948 566 E CA -0.778 55.702 56.400 0.133 0.000 0.802 566 E CB 2.384 32.156 29.700 0.121 0.000 1.137 566 E HN 0.398 nan 8.360 nan 0.000 0.397 567 Q N 2.868 122.690 119.800 0.036 0.000 2.386 567 Q HA 0.243 4.583 4.340 -0.001 0.000 0.274 567 Q C -1.508 174.450 176.000 -0.071 0.000 1.011 567 Q CA -0.588 55.208 55.803 -0.012 0.000 0.867 567 Q CB 1.434 30.156 28.738 -0.026 0.000 1.409 567 Q HN 0.550 nan 8.270 nan 0.000 0.395 568 L N 3.286 124.463 121.223 -0.078 0.000 2.453 568 L HA 0.331 4.671 4.340 -0.001 0.000 0.272 568 L C 0.216 176.950 176.870 -0.226 0.000 1.182 568 L CA -0.271 54.485 54.840 -0.140 0.000 0.858 568 L CB 0.531 42.545 42.059 -0.075 0.000 1.120 568 L HN 0.476 nan 8.230 nan 0.000 0.474 569 V N -0.432 119.242 119.914 -0.399 0.000 2.823 569 V HA 0.690 4.810 4.120 -0.001 0.000 0.312 569 V C -0.880 174.939 176.094 -0.459 0.000 1.072 569 V CA -0.873 61.146 62.300 -0.469 0.000 0.937 569 V CB 2.173 33.667 31.823 -0.548 0.000 1.013 569 V HN 0.801 nan 8.190 nan 0.000 0.430 570 D N 1.628 121.755 120.400 -0.454 0.000 2.527 570 D HA 0.638 5.278 4.640 -0.001 0.000 0.233 570 D C -1.418 174.566 176.300 -0.526 0.000 1.063 570 D CA -0.403 53.437 54.000 -0.268 0.000 0.880 570 D CB 2.525 43.267 40.800 -0.098 0.000 1.457 570 D HN 0.448 nan 8.370 nan 0.000 0.475 571 F N -0.168 119.833 119.950 0.084 0.000 2.599 571 F HA 0.331 4.858 4.527 -0.001 0.000 0.311 571 F C -0.583 175.359 175.800 0.236 0.000 1.076 571 F CA -1.050 57.009 58.000 0.098 0.000 0.937 571 F CB 1.558 40.663 39.000 0.176 0.000 1.282 571 F HN 0.160 nan 8.300 nan 0.000 0.460 572 Y N 2.099 122.555 120.300 0.261 0.000 2.319 572 Y HA 0.557 5.106 4.550 -0.001 0.000 0.328 572 Y C 0.209 176.233 175.900 0.206 0.000 1.133 572 Y CA -1.446 56.761 58.100 0.178 0.000 1.265 572 Y CB 0.857 39.375 38.460 0.097 0.000 1.218 572 Y HN 0.340 nan 8.280 nan 0.000 0.508 573 V N -0.462 119.656 119.914 0.341 0.000 2.962 573 V HA 0.565 4.684 4.120 -0.001 0.000 0.313 573 V C 0.342 176.572 176.094 0.228 0.000 1.099 573 V CA -0.727 61.731 62.300 0.263 0.000 0.971 573 V CB 1.704 33.681 31.823 0.255 0.000 1.028 573 V HN 0.665 nan 8.190 nan 0.000 0.430 574 S N 0.212 116.024 115.700 0.187 0.000 2.593 574 S HA 0.248 4.718 4.470 -0.001 0.000 0.217 574 S C 0.692 175.429 174.600 0.228 0.000 0.966 574 S CA 0.502 58.798 58.200 0.161 0.000 0.914 574 S CB -0.192 63.074 63.200 0.110 0.000 0.776 574 S HN 1.437 nan 8.310 nan 0.000 0.523 575 S N 1.255 117.092 115.700 0.228 0.000 2.546 575 S HA 0.586 5.056 4.470 -0.001 0.000 0.274 575 S C -2.589 171.936 174.600 -0.126 0.000 1.121 575 S CA -1.426 56.807 58.200 0.055 0.000 0.887 575 S CB 1.949 65.181 63.200 0.053 0.000 1.094 575 S HN 0.014 nan 8.310 nan 0.000 0.474 576 P HA 0.179 nan 4.420 nan 0.000 0.236 576 P C -0.172 177.013 177.300 -0.192 0.000 1.177 576 P CA 0.361 63.111 63.100 -0.584 0.000 0.773 576 P CB -0.160 30.904 31.700 -1.061 0.000 0.878 577 F N 0.817 120.785 119.950 0.030 0.000 2.509 577 F HA 0.258 4.785 4.527 -0.001 0.000 0.344 577 F C 0.494 176.340 175.800 0.077 0.000 1.197 577 F CA -1.130 56.914 58.000 0.075 0.000 1.294 577 F CB -0.172 38.839 39.000 0.018 0.000 1.643 577 F HN -0.328 nan 8.300 nan 0.000 0.596 578 V N 0.980 121.031 119.914 0.229 0.000 2.656 578 V HA 0.660 4.779 4.120 -0.001 0.000 0.307 578 V C -0.285 175.876 176.094 0.112 0.000 1.051 578 V CA -0.833 61.557 62.300 0.151 0.000 0.893 578 V CB 2.275 34.180 31.823 0.136 0.000 0.999 578 V HN 0.496 nan 8.190 nan 0.000 0.426 579 S N 3.077 118.823 115.700 0.077 0.000 2.599 579 S HA 0.894 5.363 4.470 -0.001 0.000 0.294 579 S C -0.958 173.624 174.600 -0.031 0.000 1.094 579 S CA -0.830 57.393 58.200 0.039 0.000 0.931 579 S CB 2.108 65.349 63.200 0.068 0.000 1.093 579 S HN 0.436 nan 8.310 nan 0.000 0.488 580 V N 1.826 121.682 119.914 -0.098 0.000 2.555 580 V HA 0.802 4.922 4.120 -0.001 0.000 0.302 580 V C 0.072 176.070 176.094 -0.159 0.000 1.038 580 V CA -0.451 61.709 62.300 -0.233 0.000 0.887 580 V CB 1.558 33.048 31.823 -0.555 0.000 0.991 580 V HN 1.203 nan 8.190 nan 0.000 0.434 581 T N -0.478 114.002 114.554 -0.123 0.000 2.906 581 T HA 0.644 4.994 4.350 -0.001 0.000 0.295 581 T C -0.799 173.884 174.700 -0.029 0.000 1.075 581 T CA -0.914 61.140 62.100 -0.077 0.000 1.005 581 T CB 2.038 70.853 68.868 -0.087 0.000 1.136 581 T HN 0.714 nan 8.240 nan 0.000 0.498 582 D N 0.791 121.152 120.400 -0.065 0.000 2.433 582 D HA 0.198 4.838 4.640 -0.001 0.000 0.255 582 D C 1.093 177.255 176.300 -0.230 0.000 1.226 582 D CA -1.108 52.740 54.000 -0.254 0.000 1.015 582 D CB 0.285 40.926 40.800 -0.264 0.000 1.091 582 D HN 0.298 nan 8.370 nan 0.000 0.527 583 L N -0.319 120.746 121.223 -0.264 0.000 2.376 583 L HA 0.184 4.523 4.340 -0.001 0.000 0.219 583 L C 2.013 178.802 176.870 -0.135 0.000 1.133 583 L CA 1.163 55.886 54.840 -0.194 0.000 0.816 583 L CB -1.106 40.843 42.059 -0.184 0.000 0.933 583 L HN 0.644 nan 8.230 nan 0.000 0.449 584 A N -1.134 121.612 122.820 -0.123 0.000 2.261 584 A HA 0.017 4.337 4.320 -0.001 0.000 0.208 584 A C 1.127 178.664 177.584 -0.078 0.000 1.223 584 A CA 0.372 52.356 52.037 -0.088 0.000 0.833 584 A CB -0.617 18.337 19.000 -0.076 0.000 0.830 584 A HN 0.565 nan 8.150 nan 0.000 0.483 585 N N -0.231 118.415 118.700 -0.089 0.000 2.800 585 N HA -0.132 4.608 4.740 -0.001 0.000 0.250 585 N C -1.014 174.452 175.510 -0.075 0.000 1.078 585 N CA 0.741 53.745 53.050 -0.076 0.000 0.804 585 N CB -1.361 37.092 38.487 -0.056 0.000 1.135 585 N HN 0.620 nan 8.380 nan 0.000 0.565 586 N N 1.693 120.346 118.700 -0.079 0.000 2.475 586 N HA 0.212 4.952 4.740 -0.001 0.000 0.267 586 N C -2.363 173.078 175.510 -0.116 0.000 1.169 586 N CA -0.590 52.409 53.050 -0.085 0.000 0.947 586 N CB 0.505 38.954 38.487 -0.064 0.000 1.061 586 N HN 0.175 nan 8.380 nan 0.000 0.466 587 P HA 0.054 nan 4.420 nan 0.000 0.269 587 P C -0.416 176.746 177.300 -0.230 0.000 1.209 587 P CA -0.069 62.840 63.100 -0.318 0.000 0.776 587 P CB 0.686 31.896 31.700 -0.818 0.000 0.876 588 V N 2.421 122.245 119.914 -0.151 0.000 2.487 588 V HA 0.219 4.339 4.120 -0.001 0.000 0.298 588 V C 0.441 176.527 176.094 -0.013 0.000 1.028 588 V CA -0.845 61.427 62.300 -0.046 0.000 0.860 588 V CB 1.388 33.201 31.823 -0.017 0.000 0.991 588 V HN 0.549 nan 8.190 nan 0.000 0.427 589 E N 3.013 123.247 120.200 0.056 0.000 2.415 589 E HA 0.457 4.806 4.350 -0.001 0.000 0.263 589 E C -0.201 176.468 176.600 0.114 0.000 0.995 589 E CA 0.096 56.559 56.400 0.105 0.000 0.915 589 E CB 0.840 30.607 29.700 0.110 0.000 0.951 589 E HN 0.890 nan 8.360 nan 0.000 0.449 590 A N 4.308 127.184 122.820 0.093 0.000 2.527 590 A HA 0.424 4.744 4.320 -0.001 0.000 0.293 590 A C -1.287 176.315 177.584 0.029 0.000 1.117 590 A CA -0.713 51.388 52.037 0.107 0.000 0.723 590 A CB 1.940 20.998 19.000 0.096 0.000 1.313 590 A HN 0.671 nan 8.150 nan 0.000 0.411 591 Q N 0.847 120.672 119.800 0.043 0.000 2.337 591 Q HA 0.640 4.980 4.340 -0.001 0.000 0.270 591 Q C -1.971 174.027 176.000 -0.004 0.000 1.043 591 Q CA -0.542 55.247 55.803 -0.024 0.000 0.794 591 Q CB 2.118 30.879 28.738 0.039 0.000 1.281 591 Q HN 0.570 nan 8.270 nan 0.000 0.446 592 V N 2.655 122.497 119.914 -0.121 0.000 2.483 592 V HA 0.563 4.683 4.120 -0.001 0.000 0.295 592 V C -0.482 175.796 176.094 0.307 0.000 1.035 592 V CA -0.307 62.038 62.300 0.074 0.000 0.896 592 V CB 1.799 33.634 31.823 0.020 0.000 0.986 592 V HN 0.833 nan 8.190 nan 0.000 0.447 593 S N 5.111 121.025 115.700 0.357 0.000 2.599 593 S HA 0.687 5.157 4.470 -0.001 0.000 0.294 593 S C -2.741 171.948 174.600 0.150 0.000 1.094 593 S CA -1.146 57.255 58.200 0.334 0.000 0.931 593 S CB 2.434 65.776 63.200 0.236 0.000 1.093 593 S HN 0.536 nan 8.310 nan 0.000 0.488 594 P HA 0.246 nan 4.420 nan 0.000 0.274 594 P C -1.161 175.839 177.300 -0.500 0.000 1.256 594 P CA -0.516 62.232 63.100 -0.586 0.000 0.795 594 P CB 0.373 31.318 31.700 -1.258 0.000 1.038 595 V N 1.460 121.000 119.914 -0.623 0.000 2.348 595 V HA 0.190 4.310 4.120 -0.001 0.000 0.270 595 V C -0.559 175.234 176.094 -0.502 0.000 1.037 595 V CA -0.180 61.834 62.300 -0.476 0.000 0.872 595 V CB -0.462 30.996 31.823 -0.609 0.000 1.002 595 V HN 0.513 nan 8.190 nan 0.000 0.464 596 W N 2.990 124.211 121.300 -0.132 0.000 2.433 596 W HA 0.639 5.298 4.660 -0.001 0.000 0.315 596 W C 0.297 176.760 176.519 -0.093 0.000 1.087 596 W CA -0.329 56.923 57.345 -0.154 0.000 1.205 596 W CB 1.745 31.124 29.460 -0.135 0.000 1.288 596 W HN 0.417 nan 8.180 nan 0.000 0.504 597 S N 1.792 117.552 115.700 0.101 0.000 2.521 597 S HA 0.419 4.888 4.470 -0.001 0.000 0.295 597 S C -1.501 173.108 174.600 0.015 0.000 1.098 597 S CA -0.814 57.446 58.200 0.101 0.000 0.999 597 S CB 1.021 64.242 63.200 0.035 0.000 1.034 597 S HN 0.348 nan 8.310 nan 0.000 0.483 598 W N 1.969 123.305 121.300 0.060 0.000 2.417 598 W HA 0.472 5.132 4.660 -0.001 0.000 0.317 598 W C 0.332 176.875 176.519 0.040 0.000 1.121 598 W CA -0.100 57.266 57.345 0.033 0.000 1.208 598 W CB 0.593 30.060 29.460 0.013 0.000 1.253 598 W HN 0.691 nan 8.180 nan 0.000 0.533 599 H N 2.334 121.418 119.070 0.023 0.000 2.505 599 H HA 0.198 4.754 4.556 -0.001 0.000 0.338 599 H C -0.713 174.595 175.328 -0.034 0.000 1.057 599 H CA -0.715 55.280 56.048 -0.089 0.000 1.202 599 H CB 0.845 30.414 29.762 -0.321 0.000 1.466 599 H HN 0.481 nan 8.280 nan 0.000 0.499 600 H N 5.016 123.849 119.070 -0.395 0.000 2.820 600 H HA 0.078 4.633 4.556 -0.001 0.000 0.278 600 H C -0.726 174.218 175.328 -0.641 0.000 1.142 600 H CA -0.426 55.413 56.048 -0.348 0.000 1.346 600 H CB 0.350 30.011 29.762 -0.169 0.000 1.438 600 H HN 0.663 nan 8.280 nan 0.000 0.473 601 D N 4.417 124.287 120.400 -0.883 0.000 2.359 601 D HA -0.049 4.591 4.640 -0.001 0.000 0.250 601 D C 1.278 177.301 176.300 -0.461 0.000 1.264 601 D CA -0.012 53.670 54.000 -0.530 0.000 0.911 601 D CB 0.853 41.679 40.800 0.044 0.000 1.056 601 D HN 0.709 nan 8.370 nan 0.000 0.499 602 T N 1.246 115.641 114.554 -0.264 0.000 3.113 602 T HA -0.059 4.290 4.350 -0.001 0.000 0.263 602 T C 1.751 176.430 174.700 -0.036 0.000 1.143 602 T CA 0.099 62.139 62.100 -0.099 0.000 1.090 602 T CB 0.208 69.095 68.868 0.031 0.000 0.922 602 T HN 0.244 nan 8.240 nan 0.000 0.521 603 L N 2.137 123.348 121.223 -0.020 0.000 2.121 603 L HA 0.120 4.459 4.340 -0.001 0.000 0.200 603 L C 3.016 179.882 176.870 -0.006 0.000 1.077 603 L CA 2.143 56.987 54.840 0.006 0.000 0.766 603 L CB -1.689 40.390 42.059 0.032 0.000 0.931 603 L HN 0.542 nan 8.230 nan 0.000 0.452 604 T N -3.803 110.747 114.554 -0.007 0.000 3.088 604 T HA -0.024 4.325 4.350 -0.001 0.000 0.259 604 T C 0.773 175.456 174.700 -0.028 0.000 1.122 604 T CA -0.063 62.030 62.100 -0.012 0.000 1.095 604 T CB 0.091 68.955 68.868 -0.007 0.000 0.930 604 T HN 0.119 nan 8.240 nan 0.000 0.508 605 K N 1.927 122.279 120.400 -0.081 0.000 3.117 605 K HA -0.120 4.199 4.320 -0.001 0.000 0.269 605 K C 0.113 176.685 176.600 -0.046 0.000 1.098 605 K CA 1.248 57.486 56.287 -0.081 0.000 0.785 605 K CB -2.908 29.594 32.500 0.003 0.000 1.242 605 K HN 0.880 nan 8.250 nan 0.000 0.491 606 T N -2.722 111.793 114.554 -0.066 0.000 2.906 606 T HA 0.813 5.163 4.350 -0.001 0.000 0.295 606 T C 0.262 175.015 174.700 0.089 0.000 1.075 606 T CA -1.059 61.078 62.100 0.060 0.000 1.005 606 T CB 2.269 71.202 68.868 0.110 0.000 1.136 606 T HN 0.139 nan 8.240 nan 0.000 0.498 607 I N 3.063 123.752 120.570 0.199 0.000 2.330 607 I HA 0.529 4.698 4.170 -0.001 0.000 0.289 607 I C -0.315 176.067 176.117 0.440 0.000 1.001 607 I CA -0.699 60.756 61.300 0.258 0.000 1.193 607 I CB 0.673 38.827 38.000 0.257 0.000 1.345 607 I HN 0.940 nan 8.210 nan 0.000 0.461 608 H N 5.776 125.003 119.070 0.260 0.000 3.016 608 H HA 0.650 5.205 4.556 -0.001 0.000 0.362 608 H C -3.189 171.937 175.328 -0.337 0.000 1.233 608 H CA -2.388 53.658 56.048 -0.004 0.000 1.124 608 H CB 1.932 31.688 29.762 -0.010 0.000 1.850 608 H HN 0.152 nan 8.280 nan 0.000 0.549 609 P HA 0.200 nan 4.420 nan 0.000 0.288 609 P C -1.014 176.181 177.300 -0.175 0.000 1.267 609 P CA -0.634 61.934 63.100 -0.888 0.000 0.815 609 P CB 1.763 32.608 31.700 -1.424 0.000 0.989 610 Q N 0.955 120.727 119.800 -0.047 0.000 2.337 610 Q HA 0.574 4.913 4.340 -0.001 0.000 0.266 610 Q C 0.158 176.176 176.000 0.030 0.000 1.023 610 Q CA -0.576 55.255 55.803 0.046 0.000 0.829 610 Q CB 2.846 31.531 28.738 -0.087 0.000 1.306 610 Q HN 0.576 nan 8.270 nan 0.000 0.449 611 G N 0.649 109.351 108.800 -0.164 0.000 2.371 611 G HA2 0.334 4.294 3.960 -0.001 0.000 0.326 611 G HA3 0.334 4.294 3.960 -0.001 0.000 0.326 611 G C -0.357 174.253 174.900 -0.482 0.000 1.127 611 G CA -0.320 44.367 45.100 -0.688 0.000 0.885 611 G HN 0.423 nan 8.290 nan 0.000 0.477 612 S N -0.392 114.975 115.700 -0.555 0.000 2.564 612 S HA 0.306 4.776 4.470 -0.001 0.000 0.278 612 S C 1.576 175.889 174.600 -0.479 0.000 1.333 612 S CA 0.253 58.168 58.200 -0.476 0.000 1.048 612 S CB 0.695 63.564 63.200 -0.553 0.000 0.900 612 S HN 0.892 nan 8.310 nan 0.000 0.505 613 T N -0.014 114.344 114.554 -0.326 0.000 3.105 613 T HA 0.180 4.530 4.350 -0.001 0.000 0.253 613 T C 1.011 175.606 174.700 -0.175 0.000 1.047 613 T CA 0.438 62.416 62.100 -0.202 0.000 0.944 613 T CB -0.195 68.615 68.868 -0.097 0.000 1.016 613 T HN 0.705 nan 8.240 nan 0.000 0.544 614 T N -2.341 111.998 114.554 -0.358 0.000 3.046 614 T HA 0.360 4.709 4.350 -0.001 0.000 0.270 614 T C 0.196 174.666 174.700 -0.382 0.000 0.920 614 T CA -0.517 61.443 62.100 -0.233 0.000 0.874 614 T CB 0.285 69.079 68.868 -0.125 0.000 1.214 614 T HN 0.246 nan 8.240 nan 0.000 0.536 615 K N 0.853 120.829 120.400 -0.707 0.000 2.259 615 K HA 0.689 5.009 4.320 -0.001 0.000 0.249 615 K C -1.754 174.201 176.600 -1.075 0.000 0.942 615 K CA -0.764 55.148 56.287 -0.625 0.000 0.816 615 K CB 1.973 34.157 32.500 -0.526 0.000 1.155 615 K HN 0.168 nan 8.250 nan 0.000 0.428 616 Y N -0.104 120.118 120.300 -0.130 0.000 2.615 616 Y HA 0.403 4.953 4.550 -0.001 0.000 0.341 616 Y C -0.228 175.699 175.900 0.045 0.000 1.089 616 Y CA -1.151 56.909 58.100 -0.068 0.000 1.049 616 Y CB 1.755 40.240 38.460 0.042 0.000 1.296 616 Y HN 0.263 nan 8.280 nan 0.000 0.470 617 R N 1.734 122.386 120.500 0.254 0.000 2.294 617 R HA 0.576 4.915 4.340 -0.001 0.000 0.319 617 R C -1.234 175.243 176.300 0.294 0.000 0.984 617 R CA -0.630 55.657 56.100 0.312 0.000 0.861 617 R CB 1.640 32.098 30.300 0.264 0.000 1.104 617 R HN 0.645 nan 8.270 nan 0.000 0.451 618 I N 4.303 125.065 120.570 0.319 0.000 2.412 618 I HA 0.428 4.597 4.170 -0.001 0.000 0.296 618 I C -1.017 175.285 176.117 0.309 0.000 0.987 618 I CA -0.759 60.718 61.300 0.296 0.000 1.180 618 I CB 1.026 39.214 38.000 0.313 0.000 1.340 618 I HN 0.544 nan 8.210 nan 0.000 0.455 619 I N 8.125 128.846 120.570 0.252 0.000 2.498 619 I HA 0.500 4.670 4.170 -0.001 0.000 0.290 619 I C -1.010 175.254 176.117 0.245 0.000 1.032 619 I CA -0.514 60.881 61.300 0.159 0.000 1.073 619 I CB 1.676 39.732 38.000 0.094 0.000 1.251 619 I HN 0.507 nan 8.210 nan 0.000 0.426 620 F N 2.846 122.818 119.950 0.037 0.000 2.686 620 F HA 0.579 5.105 4.527 -0.001 0.000 0.311 620 F C -1.067 174.713 175.800 -0.033 0.000 1.128 620 F CA -1.302 56.697 58.000 -0.002 0.000 0.946 620 F CB 1.353 40.337 39.000 -0.026 0.000 1.336 620 F HN 0.213 nan 8.300 nan 0.000 0.457 621 K N 2.020 122.507 120.400 0.144 0.000 2.285 621 K HA 0.729 5.048 4.320 -0.001 0.000 0.286 621 K C -0.630 176.012 176.600 0.070 0.000 1.072 621 K CA -0.375 55.936 56.287 0.039 0.000 0.913 621 K CB 0.844 33.399 32.500 0.091 0.000 1.067 621 K HN 0.935 nan 8.250 nan 0.000 0.479 622 A N 4.649 127.418 122.820 -0.085 0.000 2.310 622 A HA 0.381 4.701 4.320 -0.001 0.000 0.299 622 A C -0.577 177.134 177.584 0.211 0.000 1.147 622 A CA -0.626 51.429 52.037 0.030 0.000 0.818 622 A CB 0.601 19.584 19.000 -0.028 0.000 1.096 622 A HN 0.884 nan 8.150 nan 0.000 0.495 623 R N 2.033 122.767 120.500 0.391 0.000 2.439 623 R HA 0.606 4.946 4.340 -0.001 0.000 0.310 623 R C -1.922 174.635 176.300 0.429 0.000 0.955 623 R CA -0.247 56.075 56.100 0.370 0.000 0.853 623 R CB 1.372 31.872 30.300 0.334 0.000 1.171 623 R HN 0.499 nan 8.270 nan 0.000 0.449 624 V N 6.104 126.229 119.914 0.351 0.000 2.638 624 V HA 0.460 4.580 4.120 -0.001 0.000 0.306 624 V C -2.275 173.724 176.094 -0.159 0.000 1.052 624 V CA -2.281 60.116 62.300 0.161 0.000 0.885 624 V CB 1.913 33.804 31.823 0.115 0.000 0.999 624 V HN 0.785 nan 8.190 nan 0.000 0.424 625 P HA 0.231 nan 4.420 nan 0.000 0.271 625 P C -2.754 174.061 177.300 -0.808 0.000 1.244 625 P CA -1.426 60.782 63.100 -1.487 0.000 0.793 625 P CB -0.258 30.759 31.700 -1.138 0.000 0.984 626 P HA 0.096 nan 4.420 nan 0.000 0.267 626 P C 0.083 177.334 177.300 -0.082 0.000 1.205 626 P CA 0.562 63.466 63.100 -0.327 0.000 0.765 626 P CB -0.240 31.337 31.700 -0.205 0.000 0.828 627 M N 0.357 119.950 119.600 -0.011 0.000 2.253 627 M HA -0.212 4.267 4.480 -0.001 0.000 0.199 627 M C 0.568 177.057 176.300 0.315 0.000 0.342 627 M CA 0.989 56.421 55.300 0.220 0.000 0.417 627 M CB -2.044 30.775 32.600 0.364 0.000 1.338 627 M HN 0.589 nan 8.290 nan 0.000 0.920 628 G N -0.224 108.622 108.800 0.077 0.000 3.022 628 G HA2 0.939 4.899 3.960 -0.001 0.000 0.284 628 G HA3 0.939 4.899 3.960 -0.001 0.000 0.284 628 G C -1.345 173.677 174.900 0.203 0.000 1.375 628 G CA -0.977 44.137 45.100 0.024 0.000 0.902 628 G HN 0.181 nan 8.290 nan 0.000 0.538 629 L N -0.539 120.784 121.223 0.167 0.000 2.409 629 L HA 0.802 5.141 4.340 -0.001 0.000 0.262 629 L C -0.282 176.674 176.870 0.142 0.000 0.992 629 L CA -1.034 53.933 54.840 0.213 0.000 0.817 629 L CB 2.509 44.698 42.059 0.218 0.000 1.350 629 L HN 0.766 nan 8.230 nan 0.000 0.411 630 A N 0.773 123.714 122.820 0.203 0.000 2.427 630 A HA 0.791 5.110 4.320 -0.001 0.000 0.298 630 A C -0.784 176.925 177.584 0.208 0.000 1.036 630 A CA -0.443 51.694 52.037 0.166 0.000 0.701 630 A CB 1.676 20.824 19.000 0.246 0.000 1.250 630 A HN 0.554 nan 8.150 nan 0.000 0.412 631 T N 2.208 116.777 114.554 0.025 0.000 2.829 631 T HA 0.644 4.994 4.350 -0.001 0.000 0.282 631 T C -1.006 173.568 174.700 -0.209 0.000 0.990 631 T CA 0.264 62.419 62.100 0.090 0.000 1.028 631 T CB 0.334 69.261 68.868 0.098 0.000 0.951 631 T HN 0.442 nan 8.240 nan 0.000 0.460 632 Y N 0.330 120.691 120.300 0.102 0.000 2.605 632 Y HA 0.669 5.219 4.550 -0.001 0.000 0.343 632 Y C -0.331 175.468 175.900 -0.169 0.000 1.036 632 Y CA -1.147 56.929 58.100 -0.039 0.000 1.065 632 Y CB 1.741 40.201 38.460 0.000 0.000 1.288 632 Y HN 0.305 nan 8.280 nan 0.000 0.481 633 V N 3.124 122.986 119.914 -0.087 0.000 2.588 633 V HA 0.433 4.552 4.120 -0.001 0.000 0.304 633 V C -0.799 175.236 176.094 -0.099 0.000 1.042 633 V CA -0.963 61.235 62.300 -0.170 0.000 0.877 633 V CB 1.775 33.439 31.823 -0.266 0.000 0.996 633 V HN 0.492 nan 8.190 nan 0.000 0.425 634 L N 3.878 125.074 121.223 -0.045 0.000 2.296 634 L HA 0.689 5.028 4.340 -0.001 0.000 0.286 634 L C -0.128 176.762 176.870 0.033 0.000 1.023 634 L CA -0.131 54.696 54.840 -0.021 0.000 0.812 634 L CB 1.753 43.811 42.059 -0.001 0.000 1.223 634 L HN 0.605 nan 8.230 nan 0.000 0.421 635 T N 3.703 118.279 114.554 0.037 0.000 2.848 635 T HA 0.463 4.813 4.350 -0.001 0.000 0.285 635 T C -0.223 174.526 174.700 0.082 0.000 0.995 635 T CA -0.381 61.754 62.100 0.059 0.000 0.970 635 T CB 2.385 71.278 68.868 0.042 0.000 0.976 635 T HN 0.380 nan 8.240 nan 0.000 0.441 636 I N 3.130 123.757 120.570 0.095 0.000 2.662 636 I HA 0.539 4.708 4.170 -0.001 0.000 0.291 636 I C 0.298 176.480 176.117 0.108 0.000 1.046 636 I CA 0.172 61.543 61.300 0.119 0.000 1.361 636 I CB 0.772 38.845 38.000 0.122 0.000 1.429 636 I HN 0.837 nan 8.210 nan 0.000 0.558 637 S N 3.425 119.206 115.700 0.135 0.000 2.697 637 S HA 0.327 4.796 4.470 -0.001 0.000 0.289 637 S C 0.108 174.750 174.600 0.069 0.000 1.149 637 S CA -0.532 57.714 58.200 0.077 0.000 0.850 637 S CB 1.532 64.757 63.200 0.042 0.000 1.151 637 S HN 0.717 nan 8.310 nan 0.000 0.491 638 D N 0.253 120.634 120.400 -0.032 0.000 2.323 638 D HA 0.073 4.712 4.640 -0.001 0.000 0.209 638 D C 0.810 176.867 176.300 -0.406 0.000 0.973 638 D CA 0.793 54.744 54.000 -0.082 0.000 0.874 638 D CB -0.183 40.580 40.800 -0.062 0.000 0.930 638 D HN 0.620 nan 8.370 nan 0.000 0.521 639 S N -1.281 114.075 115.700 -0.574 0.000 2.720 639 S HA 0.390 4.860 4.470 -0.001 0.000 0.287 639 S C -0.553 173.574 174.600 -0.789 0.000 1.168 639 S CA -1.164 56.413 58.200 -1.039 0.000 0.832 639 S CB 1.755 64.641 63.200 -0.523 0.000 1.166 639 S HN -0.051 nan 8.310 nan 0.000 0.493 640 K N 1.855 121.885 120.400 -0.617 0.000 2.437 640 K HA 0.162 4.481 4.320 -0.001 0.000 0.277 640 K C -2.419 174.202 176.600 0.035 0.000 1.073 640 K CA -0.550 55.737 56.287 0.000 0.000 1.105 640 K CB -0.685 31.866 32.500 0.085 0.000 0.881 640 K HN 0.393 nan 8.250 nan 0.000 0.475 641 P HA 0.001 nan 4.420 nan 0.000 0.272 641 P C 0.629 177.952 177.300 0.039 0.000 1.223 641 P CA -0.297 62.850 63.100 0.079 0.000 0.784 641 P CB 0.706 32.477 31.700 0.119 0.000 0.923 642 E N 1.146 121.331 120.200 -0.024 0.000 2.118 642 E HA -0.251 4.099 4.350 -0.001 0.000 0.195 642 E C 0.602 177.035 176.600 -0.278 0.000 0.992 642 E CA 1.224 57.516 56.400 -0.179 0.000 0.804 642 E CB -0.041 29.482 29.700 -0.295 0.000 0.741 642 E HN 0.497 nan 8.360 nan 0.000 0.458 643 H N -0.850 118.229 119.070 0.015 0.000 2.520 643 H HA 0.208 4.763 4.556 -0.001 0.000 0.284 643 H C -0.349 174.972 175.328 -0.011 0.000 1.037 643 H CA 0.228 56.279 56.048 0.006 0.000 1.168 643 H CB 0.763 30.527 29.762 0.004 0.000 1.497 643 H HN -0.039 nan 8.280 nan 0.000 0.547 644 T N 1.500 116.078 114.554 0.040 0.000 2.792 644 T HA 0.320 4.670 4.350 -0.001 0.000 0.280 644 T C 0.341 174.924 174.700 -0.195 0.000 0.990 644 T CA -0.684 61.370 62.100 -0.076 0.000 0.960 644 T CB 2.147 70.966 68.868 -0.082 0.000 0.939 644 T HN 0.258 nan 8.240 nan 0.000 0.439 645 S N 2.288 117.824 115.700 -0.273 0.000 2.718 645 S HA 0.778 5.248 4.470 -0.001 0.000 0.300 645 S C -1.423 172.818 174.600 -0.599 0.000 1.117 645 S CA -0.822 57.226 58.200 -0.254 0.000 1.002 645 S CB 0.874 64.041 63.200 -0.054 0.000 1.092 645 S HN 0.574 nan 8.310 nan 0.000 0.542 646 Y N 0.068 120.367 120.300 -0.001 0.000 2.350 646 Y HA 0.649 5.199 4.550 -0.001 0.000 0.338 646 Y C 0.597 176.539 175.900 0.072 0.000 0.961 646 Y CA -0.778 57.300 58.100 -0.037 0.000 1.100 646 Y CB 1.638 39.933 38.460 -0.276 0.000 1.179 646 Y HN 1.037 nan 8.280 nan 0.000 0.454 647 A N 2.089 125.090 122.820 0.302 0.000 2.445 647 A HA 0.451 4.771 4.320 -0.001 0.000 0.242 647 A C 0.371 178.153 177.584 0.330 0.000 1.075 647 A CA -0.233 51.975 52.037 0.285 0.000 0.777 647 A CB -0.091 19.082 19.000 0.288 0.000 1.013 647 A HN 0.776 nan 8.150 nan 0.000 0.493 648 S N 2.062 117.894 115.700 0.218 0.000 2.632 648 S HA 0.515 4.985 4.470 -0.001 0.000 0.271 648 S C -0.322 174.379 174.600 0.167 0.000 1.260 648 S CA -0.836 57.477 58.200 0.189 0.000 1.010 648 S CB 0.685 63.953 63.200 0.113 0.000 0.965 648 S HN 0.694 nan 8.310 nan 0.000 0.534 649 N N 0.549 119.324 118.700 0.126 0.000 2.310 649 N HA 0.470 5.210 4.740 -0.001 0.000 0.292 649 N C -2.005 173.455 175.510 -0.084 0.000 1.049 649 N CA -0.530 52.552 53.050 0.054 0.000 0.849 649 N CB 2.007 40.615 38.487 0.201 0.000 1.532 649 N HN 0.590 nan 8.380 nan 0.000 0.479 650 L N 2.413 123.543 121.223 -0.155 0.000 2.404 650 L HA 0.516 4.855 4.340 -0.001 0.000 0.272 650 L C -1.690 175.031 176.870 -0.248 0.000 0.980 650 L CA -0.712 54.009 54.840 -0.199 0.000 0.836 650 L CB 1.453 43.450 42.059 -0.104 0.000 1.238 650 L HN 0.437 nan 8.230 nan 0.000 0.408 651 L N 6.083 127.111 121.223 -0.325 0.000 2.265 651 L HA 0.561 4.900 4.340 -0.001 0.000 0.289 651 L C -1.266 175.584 176.870 -0.034 0.000 1.033 651 L CA -0.048 54.665 54.840 -0.212 0.000 0.814 651 L CB 1.032 42.965 42.059 -0.211 0.000 1.203 651 L HN 0.596 nan 8.230 nan 0.000 0.423 652 L N 6.807 128.025 121.223 -0.007 0.000 2.276 652 L HA 0.700 5.040 4.340 -0.001 0.000 0.286 652 L C -0.377 176.532 176.870 0.064 0.000 1.024 652 L CA -0.575 54.288 54.840 0.039 0.000 0.826 652 L CB 0.766 42.840 42.059 0.025 0.000 1.211 652 L HN 0.740 nan 8.230 nan 0.000 0.422 653 R N 1.983 122.530 120.500 0.078 0.000 2.739 653 R HA 0.420 4.759 4.340 -0.001 0.000 0.266 653 R C -1.720 174.610 176.300 0.051 0.000 1.044 653 R CA -0.997 55.142 56.100 0.065 0.000 0.885 653 R CB 1.137 31.474 30.300 0.062 0.000 1.260 653 R HN 0.167 nan 8.270 nan 0.000 0.477 654 K N 1.619 122.039 120.400 0.033 0.000 2.237 654 K HA 0.173 4.493 4.320 -0.001 0.000 0.270 654 K C -0.318 176.278 176.600 -0.008 0.000 1.015 654 K CA -0.398 55.898 56.287 0.015 0.000 0.949 654 K CB 0.519 33.028 32.500 0.014 0.000 0.976 654 K HN 0.827 nan 8.250 nan 0.000 0.472 655 N N 0.793 119.477 118.700 -0.028 0.000 2.771 655 N HA -0.102 4.638 4.740 -0.001 0.000 0.249 655 N C -2.664 172.790 175.510 -0.093 0.000 1.069 655 N CA 0.077 53.092 53.050 -0.058 0.000 0.688 655 N CB -0.731 37.726 38.487 -0.050 0.000 0.928 655 N HN 0.403 nan 8.380 nan 0.000 0.551 656 P HA 0.297 nan 4.420 nan 0.000 0.276 656 P C -0.252 176.870 177.300 -0.298 0.000 1.244 656 P CA -0.060 62.931 63.100 -0.182 0.000 0.801 656 P CB 1.027 32.595 31.700 -0.220 0.000 1.006 657 T N -2.569 111.808 114.554 -0.294 0.000 2.916 657 T HA 0.496 4.846 4.350 -0.001 0.000 0.292 657 T C 0.269 174.788 174.700 -0.303 0.000 1.064 657 T CA -0.768 61.166 62.100 -0.276 0.000 1.011 657 T CB 0.618 69.393 68.868 -0.155 0.000 1.152 657 T HN 0.473 nan 8.240 nan 0.000 0.510 658 S N 0.594 116.168 115.700 -0.209 0.000 2.569 658 S HA 0.384 4.853 4.470 -0.001 0.000 0.274 658 S C -0.157 174.539 174.600 0.161 0.000 1.353 658 S CA -0.739 57.433 58.200 -0.046 0.000 1.023 658 S CB -0.344 62.847 63.200 -0.016 0.000 0.876 658 S HN 0.695 nan 8.310 nan 0.000 0.540 659 L N 2.208 123.629 121.223 0.330 0.000 2.489 659 L HA 0.368 4.708 4.340 -0.001 0.000 0.257 659 L C -2.377 174.592 176.870 0.165 0.000 1.215 659 L CA -1.567 53.434 54.840 0.269 0.000 0.915 659 L CB 1.654 43.947 42.059 0.390 0.000 1.146 659 L HN 0.598 nan 8.230 nan 0.000 0.494 660 P HA 0.196 nan 4.420 nan 0.000 0.275 660 P C -0.024 177.267 177.300 -0.015 0.000 1.228 660 P CA -0.174 62.955 63.100 0.048 0.000 0.786 660 P CB 1.781 33.499 31.700 0.030 0.000 0.927 661 L N 0.944 122.170 121.223 0.004 0.000 3.358 661 L HA 0.279 4.619 4.340 -0.001 0.000 0.301 661 L C 1.400 178.333 176.870 0.104 0.000 1.276 661 L CA -0.016 54.806 54.840 -0.031 0.000 1.028 661 L CB 0.089 42.096 42.059 -0.087 0.000 1.421 661 L HN 0.734 nan 8.230 nan 0.000 0.604 662 G N 1.160 110.003 108.800 0.071 0.000 2.596 662 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.304 662 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.304 662 G C 0.551 175.497 174.900 0.078 0.000 1.189 662 G CA 0.720 45.875 45.100 0.093 0.000 0.986 662 G HN 0.431 nan 8.290 nan 0.000 0.548 663 Q N -0.473 119.353 119.800 0.043 0.000 2.472 663 Q HA 0.171 4.511 4.340 -0.001 0.000 0.208 663 Q C 0.863 176.683 176.000 -0.299 0.000 0.958 663 Q CA 0.298 56.019 55.803 -0.137 0.000 0.932 663 Q CB 0.259 28.831 28.738 -0.277 0.000 1.007 663 Q HN 0.506 nan 8.270 nan 0.000 0.508 664 Y N 4.089 124.184 120.300 -0.342 0.000 2.802 664 Y HA -0.050 4.499 4.550 -0.001 0.000 0.333 664 Y C -1.387 174.359 175.900 -0.256 0.000 1.244 664 Y CA -1.536 56.347 58.100 -0.362 0.000 1.558 664 Y CB 0.805 39.208 38.460 -0.094 0.000 1.233 664 Y HN 0.061 nan 8.280 nan 0.000 0.547 665 P HA -0.089 nan 4.420 nan 0.000 0.237 665 P C -0.540 176.608 177.300 -0.254 0.000 1.178 665 P CA 0.761 63.601 63.100 -0.433 0.000 0.766 665 P CB 0.313 31.644 31.700 -0.616 0.000 0.876 666 E N 0.888 120.971 120.200 -0.195 0.000 2.176 666 E HA 0.245 4.594 4.350 -0.001 0.000 0.267 666 E C -0.894 175.826 176.600 0.200 0.000 0.893 666 E CA -0.810 55.614 56.400 0.041 0.000 0.761 666 E CB 0.561 30.317 29.700 0.095 0.000 1.133 666 E HN -0.207 nan 8.360 nan 0.000 0.409 667 D N 2.876 123.351 120.400 0.126 0.000 2.389 667 D HA 0.097 4.736 4.640 -0.001 0.000 0.247 667 D C -0.181 176.183 176.300 0.106 0.000 1.128 667 D CA -0.196 53.881 54.000 0.128 0.000 0.884 667 D CB 1.194 42.056 40.800 0.103 0.000 1.194 667 D HN 0.220 nan 8.370 nan 0.000 0.441 668 V N 2.913 122.874 119.914 0.079 0.000 2.673 668 V HA -0.053 4.066 4.120 -0.001 0.000 0.303 668 V C 0.716 176.653 176.094 -0.261 0.000 1.046 668 V CA 0.321 62.569 62.300 -0.087 0.000 1.126 668 V CB 0.396 32.139 31.823 -0.134 0.000 0.934 668 V HN 0.370 nan 8.190 nan 0.000 0.487 669 K N 3.612 123.803 120.400 -0.347 0.000 2.118 669 K HA 0.730 5.049 4.320 -0.001 0.000 0.254 669 K C -0.977 175.252 176.600 -0.618 0.000 0.961 669 K CA -0.154 55.958 56.287 -0.292 0.000 0.876 669 K CB 1.274 33.721 32.500 -0.088 0.000 1.077 669 K HN 0.417 nan 8.250 nan 0.000 0.440 670 F N -0.469 119.491 119.950 0.018 0.000 2.593 670 F HA 0.791 5.317 4.527 -0.001 0.000 0.320 670 F C 0.583 176.386 175.800 0.005 0.000 1.060 670 F CA -0.636 57.367 58.000 0.003 0.000 0.940 670 F CB 2.659 41.659 39.000 -0.000 0.000 1.268 670 F HN 0.530 nan 8.300 nan 0.000 0.475 671 G N 0.272 109.179 108.800 0.178 0.000 2.576 671 G HA2 0.393 4.352 3.960 -0.001 0.000 0.290 671 G HA3 0.393 4.352 3.960 -0.001 0.000 0.290 671 G C -2.151 172.802 174.900 0.087 0.000 1.442 671 G CA -0.870 44.294 45.100 0.107 0.000 0.792 671 G HN 0.368 nan 8.290 nan 0.000 0.491 672 D N 0.890 121.328 120.400 0.064 0.000 2.382 672 D HA 0.368 5.007 4.640 -0.001 0.000 0.240 672 D C -1.975 174.355 176.300 0.050 0.000 1.146 672 D CA -0.570 53.461 54.000 0.052 0.000 0.897 672 D CB 0.920 41.745 40.800 0.041 0.000 1.197 672 D HN 0.003 nan 8.370 nan 0.000 0.432 673 P HA 0.035 nan 4.420 nan 0.000 0.263 673 P C -0.410 176.919 177.300 0.049 0.000 1.175 673 P CA 0.477 63.608 63.100 0.051 0.000 0.761 673 P CB 0.376 32.108 31.700 0.054 0.000 0.794 674 R N 0.478 121.009 120.500 0.052 0.000 2.692 674 R HA 0.431 4.770 4.340 -0.001 0.000 0.269 674 R C -1.102 175.238 176.300 0.067 0.000 1.030 674 R CA -1.034 55.098 56.100 0.052 0.000 0.882 674 R CB 1.150 31.477 30.300 0.044 0.000 1.250 674 R HN 0.228 nan 8.270 nan 0.000 0.465 675 E N 1.547 121.787 120.200 0.067 0.000 2.398 675 E HA 0.244 4.594 4.350 -0.001 0.000 0.263 675 E C -0.023 176.635 176.600 0.095 0.000 1.046 675 E CA 0.012 56.465 56.400 0.089 0.000 0.908 675 E CB 0.816 30.553 29.700 0.062 0.000 0.963 675 E HN 0.452 nan 8.360 nan 0.000 0.431 676 I N -2.146 118.514 120.570 0.150 0.000 3.095 676 I HA 0.553 4.722 4.170 -0.001 0.000 0.310 676 I C -0.677 175.580 176.117 0.234 0.000 1.196 676 I CA -0.771 60.617 61.300 0.148 0.000 0.985 676 I CB 2.488 40.549 38.000 0.102 0.000 1.250 676 I HN 0.121 nan 8.210 nan 0.000 0.446 677 S N 3.214 119.024 115.700 0.183 0.000 2.536 677 S HA 0.842 5.312 4.470 -0.001 0.000 0.287 677 S C -0.885 173.830 174.600 0.192 0.000 1.101 677 S CA -0.605 57.714 58.200 0.199 0.000 0.950 677 S CB 1.620 64.886 63.200 0.109 0.000 1.056 677 S HN 0.539 nan 8.310 nan 0.000 0.481 678 L N 2.116 123.480 121.223 0.235 0.000 2.409 678 L HA 0.679 5.018 4.340 -0.001 0.000 0.262 678 L C -0.503 176.462 176.870 0.159 0.000 0.992 678 L CA -0.664 54.288 54.840 0.186 0.000 0.817 678 L CB 2.333 44.518 42.059 0.210 0.000 1.350 678 L HN 0.494 nan 8.230 nan 0.000 0.411 679 R N 1.631 122.202 120.500 0.118 0.000 2.533 679 R HA 0.653 4.992 4.340 -0.001 0.000 0.288 679 R C -2.009 174.340 176.300 0.083 0.000 1.039 679 R CA -0.482 55.676 56.100 0.096 0.000 0.909 679 R CB 2.283 32.631 30.300 0.080 0.000 1.195 679 R HN 0.395 nan 8.270 nan 0.000 0.438 680 V N 4.578 124.539 119.914 0.079 0.000 2.435 680 V HA 0.550 4.669 4.120 -0.001 0.000 0.290 680 V C 1.110 177.238 176.094 0.056 0.000 1.030 680 V CA 0.599 62.940 62.300 0.068 0.000 0.881 680 V CB 1.120 32.986 31.823 0.071 0.000 0.983 680 V HN 1.111 nan 8.190 nan 0.000 0.445 681 G N 5.013 113.844 108.800 0.051 0.000 2.614 681 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.303 681 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.303 681 G C 0.483 175.405 174.900 0.038 0.000 1.270 681 G CA 0.594 45.720 45.100 0.043 0.000 0.988 681 G HN 0.697 nan 8.290 nan 0.000 0.551 682 N N 2.433 121.152 118.700 0.031 0.000 2.295 682 N HA 0.254 4.994 4.740 -0.001 0.000 0.221 682 N C 1.089 176.612 175.510 0.022 0.000 1.129 682 N CA 0.883 53.947 53.050 0.024 0.000 0.836 682 N CB 0.450 38.948 38.487 0.018 0.000 1.040 682 N HN 0.793 nan 8.380 nan 0.000 0.494 683 G N 1.571 110.388 108.800 0.030 0.000 2.508 683 G HA2 0.274 4.234 3.960 -0.001 0.000 0.278 683 G HA3 0.274 4.234 3.960 -0.001 0.000 0.278 683 G C -2.406 172.510 174.900 0.027 0.000 1.389 683 G CA -0.707 44.410 45.100 0.028 0.000 1.050 683 G HN -0.007 nan 8.290 nan 0.000 0.522 684 P HA 0.213 nan 4.420 nan 0.000 0.272 684 P C -0.519 176.808 177.300 0.044 0.000 1.230 684 P CA 0.036 63.149 63.100 0.022 0.000 0.788 684 P CB 0.834 32.542 31.700 0.015 0.000 0.949 685 T N 2.411 116.991 114.554 0.044 0.000 2.767 685 T HA 0.457 4.807 4.350 -0.001 0.000 0.284 685 T C 0.009 174.755 174.700 0.077 0.000 0.973 685 T CA -0.358 61.792 62.100 0.083 0.000 0.996 685 T CB 0.090 69.023 68.868 0.107 0.000 0.927 685 T HN 0.175 nan 8.240 nan 0.000 0.456 686 L N 2.738 124.009 121.223 0.080 0.000 2.322 686 L HA 0.764 5.103 4.340 -0.001 0.000 0.281 686 L C 0.200 177.018 176.870 -0.087 0.000 1.014 686 L CA -1.151 53.658 54.840 -0.051 0.000 0.815 686 L CB 1.546 43.568 42.059 -0.062 0.000 1.247 686 L HN 0.642 nan 8.230 nan 0.000 0.421 687 A N 3.268 125.946 122.820 -0.236 0.000 2.324 687 A HA 0.868 5.188 4.320 -0.001 0.000 0.330 687 A C -1.184 176.168 177.584 -0.386 0.000 1.165 687 A CA -0.295 51.650 52.037 -0.153 0.000 0.813 687 A CB 0.767 19.709 19.000 -0.097 0.000 1.197 687 A HN 0.503 nan 8.150 nan 0.000 0.484 688 F N 0.763 120.753 119.950 0.067 0.000 2.563 688 F HA 0.521 5.047 4.527 -0.001 0.000 0.316 688 F C 1.071 176.918 175.800 0.078 0.000 1.076 688 F CA -0.330 57.728 58.000 0.097 0.000 0.921 688 F CB 2.130 41.192 39.000 0.103 0.000 1.209 688 F HN 0.681 nan 8.300 nan 0.000 0.462 689 S N 0.122 115.982 115.700 0.268 0.000 2.596 689 S HA 0.079 4.549 4.470 -0.001 0.000 0.260 689 S C 1.079 175.785 174.600 0.177 0.000 1.336 689 S CA -0.010 58.296 58.200 0.177 0.000 0.993 689 S CB 0.634 63.936 63.200 0.170 0.000 0.923 689 S HN 0.856 nan 8.310 nan 0.000 0.567 690 E N -0.058 120.214 120.200 0.120 0.000 2.401 690 E HA -0.206 4.143 4.350 -0.001 0.000 0.199 690 E C 1.347 178.011 176.600 0.107 0.000 1.023 690 E CA 1.065 57.525 56.400 0.101 0.000 0.859 690 E CB -0.411 29.333 29.700 0.073 0.000 0.780 690 E HN 0.801 nan 8.360 nan 0.000 0.523 691 Q N 0.074 119.953 119.800 0.132 0.000 2.320 691 Q HA 0.168 4.507 4.340 -0.001 0.000 0.201 691 Q C 0.652 176.745 176.000 0.157 0.000 0.910 691 Q CA 0.245 56.126 55.803 0.130 0.000 0.946 691 Q CB 0.863 29.679 28.738 0.129 0.000 1.062 691 Q HN 0.519 nan 8.270 nan 0.000 0.503 692 G N 1.093 110.006 108.800 0.188 0.000 2.143 692 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.248 692 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.248 692 G C -0.195 174.936 174.900 0.384 0.000 0.991 692 G CA -0.075 45.145 45.100 0.199 0.000 0.689 692 G HN 0.256 nan 8.290 nan 0.000 0.522 693 L N -0.184 121.303 121.223 0.440 0.000 2.317 693 L HA 0.664 5.003 4.340 -0.001 0.000 0.281 693 L C 0.799 177.965 176.870 0.494 0.000 1.024 693 L CA -1.395 53.745 54.840 0.500 0.000 0.810 693 L CB 1.609 43.873 42.059 0.341 0.000 1.240 693 L HN 0.137 nan 8.230 nan 0.000 0.427 694 L N 3.458 124.951 121.223 0.450 0.000 2.559 694 L HA -0.063 4.277 4.340 -0.001 0.000 0.282 694 L C 1.064 177.995 176.870 0.102 0.000 1.232 694 L CA 0.968 55.821 54.840 0.020 0.000 0.885 694 L CB 0.184 42.283 42.059 0.065 0.000 1.131 694 L HN 0.802 nan 8.230 nan 0.000 0.498 695 K N 1.408 121.773 120.400 -0.058 0.000 2.474 695 K HA 0.321 4.640 4.320 -0.001 0.000 0.202 695 K C -0.054 176.492 176.600 -0.090 0.000 1.248 695 K CA 0.316 56.597 56.287 -0.011 0.000 0.946 695 K CB 0.425 32.903 32.500 -0.037 0.000 1.102 695 K HN 0.605 nan 8.250 nan 0.000 0.541 696 S N 0.332 115.949 115.700 -0.138 0.000 2.565 696 S HA 0.593 5.063 4.470 -0.001 0.000 0.269 696 S C -1.138 173.407 174.600 -0.091 0.000 1.153 696 S CA -1.003 57.141 58.200 -0.094 0.000 0.835 696 S CB 1.351 64.533 63.200 -0.031 0.000 1.122 696 S HN 0.180 nan 8.310 nan 0.000 0.462 697 I N 1.407 121.947 120.570 -0.050 0.000 2.499 697 I HA 0.458 4.628 4.170 -0.001 0.000 0.288 697 I C -0.635 175.471 176.117 -0.019 0.000 1.048 697 I CA -0.386 60.891 61.300 -0.039 0.000 1.062 697 I CB 2.171 40.132 38.000 -0.064 0.000 1.238 697 I HN 0.727 nan 8.210 nan 0.000 0.426 698 Q N 6.004 125.794 119.800 -0.016 0.000 2.357 698 Q HA 0.421 4.760 4.340 -0.001 0.000 0.266 698 Q C 0.001 175.954 176.000 -0.077 0.000 1.021 698 Q CA -0.516 55.219 55.803 -0.112 0.000 0.784 698 Q CB 1.752 30.333 28.738 -0.263 0.000 1.243 698 Q HN 0.776 nan 8.270 nan 0.000 0.465 699 L N 1.975 123.152 121.223 -0.076 0.000 2.056 699 L HA -0.021 4.319 4.340 -0.001 0.000 0.207 699 L C 1.209 178.053 176.870 -0.043 0.000 1.078 699 L CA 1.283 56.093 54.840 -0.050 0.000 0.749 699 L CB -0.258 41.771 42.059 -0.049 0.000 0.901 699 L HN 0.671 nan 8.230 nan 0.000 0.433 700 T N -6.711 107.808 114.554 -0.059 0.000 2.838 700 T HA 0.200 4.550 4.350 -0.001 0.000 0.292 700 T C 0.553 175.218 174.700 -0.058 0.000 1.113 700 T CA -0.830 61.243 62.100 -0.045 0.000 1.008 700 T CB 1.838 70.684 68.868 -0.038 0.000 1.259 700 T HN -0.159 nan 8.240 nan 0.000 0.520 701 Q N 0.909 120.688 119.800 -0.035 0.000 2.062 701 Q HA -0.187 4.152 4.340 -0.001 0.000 0.209 701 Q C 1.816 177.788 176.000 -0.046 0.000 0.996 701 Q CA 2.686 58.472 55.803 -0.029 0.000 0.859 701 Q CB -0.379 28.353 28.738 -0.011 0.000 0.920 701 Q HN 0.918 nan 8.270 nan 0.000 0.415 702 D N -0.541 119.831 120.400 -0.046 0.000 2.271 702 D HA -0.046 4.594 4.640 -0.001 0.000 0.206 702 D C 0.886 177.143 176.300 -0.073 0.000 0.967 702 D CA 0.466 54.438 54.000 -0.046 0.000 0.867 702 D CB -0.222 40.560 40.800 -0.030 0.000 0.960 702 D HN 0.072 nan 8.370 nan 0.000 0.509 703 S N 1.180 116.825 115.700 -0.091 0.000 2.580 703 S HA 0.259 4.729 4.470 -0.001 0.000 0.266 703 S C -2.485 172.013 174.600 -0.170 0.000 1.354 703 S CA -1.005 57.131 58.200 -0.105 0.000 1.008 703 S CB 0.557 63.702 63.200 -0.093 0.000 0.898 703 S HN -0.104 nan 8.310 nan 0.000 0.555 704 P HA 0.173 nan 4.420 nan 0.000 0.272 704 P C -0.560 176.617 177.300 -0.205 0.000 1.223 704 P CA -0.187 62.835 63.100 -0.130 0.000 0.784 704 P CB 0.161 31.832 31.700 -0.048 0.000 0.923 705 H N 0.664 119.721 119.070 -0.022 0.000 3.067 705 H HA 0.141 4.696 4.556 -0.001 0.000 0.265 705 H C -0.172 175.127 175.328 -0.048 0.000 1.234 705 H CA -0.220 55.807 56.048 -0.035 0.000 1.452 705 H CB -0.299 29.445 29.762 -0.030 0.000 1.527 705 H HN 0.094 nan 8.280 nan 0.000 0.486 706 V N 6.913 126.833 119.914 0.011 0.000 2.470 706 V HA 0.062 4.182 4.120 -0.001 0.000 0.276 706 V C -1.864 174.187 176.094 -0.071 0.000 1.040 706 V CA -1.532 60.748 62.300 -0.033 0.000 1.008 706 V CB 0.773 32.563 31.823 -0.054 0.000 0.990 706 V HN 0.527 nan 8.190 nan 0.000 0.477 707 P HA 0.176 nan 4.420 nan 0.000 0.266 707 P C -0.801 176.362 177.300 -0.228 0.000 1.215 707 P CA 0.232 63.209 63.100 -0.204 0.000 0.763 707 P CB 0.487 31.963 31.700 -0.374 0.000 0.806 708 V N 4.174 123.983 119.914 -0.175 0.000 2.555 708 V HA 0.204 4.324 4.120 -0.001 0.000 0.283 708 V C -0.788 175.212 176.094 -0.156 0.000 1.020 708 V CA -0.441 61.739 62.300 -0.200 0.000 0.883 708 V CB 1.148 32.841 31.823 -0.217 0.000 1.030 708 V HN 0.541 nan 8.190 nan 0.000 0.448 709 H N 4.532 123.448 119.070 -0.256 0.000 2.481 709 H HA 0.677 5.233 4.556 -0.001 0.000 0.333 709 H C -1.232 173.982 175.328 -0.189 0.000 1.066 709 H CA -0.957 54.989 56.048 -0.171 0.000 1.209 709 H CB 1.075 30.778 29.762 -0.099 0.000 1.445 709 H HN 0.385 nan 8.280 nan 0.000 0.488 710 F N 3.931 123.594 119.950 -0.479 0.000 2.396 710 F HA 0.378 4.905 4.527 -0.001 0.000 0.343 710 F C 0.392 175.665 175.800 -0.878 0.000 1.104 710 F CA -0.094 57.571 58.000 -0.558 0.000 1.161 710 F CB 0.928 39.740 39.000 -0.312 0.000 1.146 710 F HN 0.465 nan 8.300 nan 0.000 0.522 711 K N 3.312 123.447 120.400 -0.443 0.000 2.523 711 K HA 0.495 4.814 4.320 -0.001 0.000 0.257 711 K C -1.962 174.373 176.600 -0.443 0.000 0.932 711 K CA -0.557 55.520 56.287 -0.350 0.000 0.812 711 K CB 1.326 33.695 32.500 -0.219 0.000 1.326 711 K HN 0.392 nan 8.250 nan 0.000 0.433 712 F N 3.982 123.860 119.950 -0.121 0.000 2.436 712 F HA 0.496 5.022 4.527 -0.001 0.000 0.340 712 F C -0.378 175.384 175.800 -0.064 0.000 1.113 712 F CA -0.587 57.355 58.000 -0.096 0.000 1.022 712 F CB 1.177 40.105 39.000 -0.121 0.000 1.128 712 F HN 0.240 nan 8.300 nan 0.000 0.466 713 L N 2.689 123.959 121.223 0.079 0.000 2.303 713 L HA 0.625 4.965 4.340 -0.001 0.000 0.256 713 L C -1.145 175.723 176.870 -0.003 0.000 1.034 713 L CA -1.020 53.816 54.840 -0.005 0.000 0.832 713 L CB 2.288 44.282 42.059 -0.108 0.000 1.403 713 L HN 0.486 nan 8.230 nan 0.000 0.419 714 K N -0.323 120.038 120.400 -0.065 0.000 2.378 714 K HA 0.666 4.985 4.320 -0.001 0.000 0.252 714 K C -1.754 174.785 176.600 -0.101 0.000 0.931 714 K CA -0.791 55.486 56.287 -0.016 0.000 0.794 714 K CB 1.673 34.194 32.500 0.035 0.000 1.181 714 K HN 0.249 nan 8.250 nan 0.000 0.425 715 Y N 0.649 121.012 120.300 0.105 0.000 2.376 715 Y HA 0.520 5.070 4.550 -0.001 0.000 0.325 715 Y C 1.027 176.985 175.900 0.097 0.000 1.199 715 Y CA 0.047 58.220 58.100 0.122 0.000 1.206 715 Y CB 2.107 40.708 38.460 0.235 0.000 1.229 715 Y HN 0.919 nan 8.280 nan 0.000 0.480 716 G N 0.457 109.403 108.800 0.244 0.000 2.971 716 G HA2 0.641 4.600 3.960 -0.001 0.000 0.235 716 G HA3 0.641 4.600 3.960 -0.001 0.000 0.235 716 G C -1.470 173.505 174.900 0.125 0.000 1.351 716 G CA -0.744 44.445 45.100 0.148 0.000 1.039 716 G HN 0.435 nan 8.290 nan 0.000 0.563 717 V N -0.159 119.798 119.914 0.071 0.000 2.914 717 V HA 0.475 4.595 4.120 -0.001 0.000 0.314 717 V C -0.078 176.019 176.094 0.005 0.000 1.084 717 V CA -0.870 61.452 62.300 0.036 0.000 0.963 717 V CB 1.966 33.812 31.823 0.039 0.000 1.025 717 V HN 0.679 nan 8.190 nan 0.000 0.432 718 R N 1.260 121.738 120.500 -0.036 0.000 2.543 718 R HA 0.209 4.548 4.340 -0.001 0.000 0.277 718 R C 1.170 177.444 176.300 -0.044 0.000 1.074 718 R CA 0.434 56.486 56.100 -0.079 0.000 1.076 718 R CB 0.609 30.802 30.300 -0.177 0.000 0.993 718 R HN 0.910 nan 8.270 nan 0.000 0.459 719 S N 1.000 116.697 115.700 -0.005 0.000 2.528 719 S HA -0.036 4.434 4.470 -0.001 0.000 0.219 719 S C 0.223 174.892 174.600 0.116 0.000 0.985 719 S CA -0.025 58.211 58.200 0.060 0.000 0.914 719 S CB -0.302 62.953 63.200 0.092 0.000 0.776 719 S HN 0.837 nan 8.310 nan 0.000 0.526 720 H N -2.409 116.661 119.070 0.000 0.000 2.895 720 H HA 0.743 5.298 4.556 -0.001 0.000 0.373 720 H C 0.497 175.822 175.328 -0.006 0.000 1.174 720 H CA -0.460 55.586 56.048 -0.003 0.000 1.144 720 H CB 1.086 30.847 29.762 -0.003 0.000 1.793 720 H HN 0.362 nan 8.280 nan 0.000 0.551 721 G N 1.180 109.985 108.800 0.008 0.000 2.553 721 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.242 721 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.242 721 G C -1.064 173.799 174.900 -0.061 0.000 1.277 721 G CA -0.125 44.948 45.100 -0.046 0.000 0.910 721 G HN 0.879 nan 8.290 nan 0.000 0.576 722 D N 1.301 121.659 120.400 -0.071 0.000 2.389 722 D HA 0.541 5.181 4.640 -0.001 0.000 0.247 722 D C 0.955 177.218 176.300 -0.063 0.000 1.128 722 D CA 0.296 54.261 54.000 -0.058 0.000 0.884 722 D CB 0.854 41.620 40.800 -0.057 0.000 1.194 722 D HN 0.463 nan 8.370 nan 0.000 0.441 723 R N 0.524 120.999 120.500 -0.042 0.000 2.474 723 R HA 0.356 4.695 4.340 -0.001 0.000 0.295 723 R C 0.051 176.339 176.300 -0.020 0.000 0.980 723 R CA -0.537 55.545 56.100 -0.028 0.000 0.934 723 R CB 1.086 31.380 30.300 -0.011 0.000 1.101 723 R HN 0.227 nan 8.270 nan 0.000 0.469 724 S N 0.450 116.148 115.700 -0.002 0.000 2.563 724 S HA 0.453 4.923 4.470 -0.001 0.000 0.284 724 S C 0.426 175.042 174.600 0.028 0.000 1.331 724 S CA 0.301 58.517 58.200 0.026 0.000 1.047 724 S CB 0.961 64.208 63.200 0.079 0.000 0.859 724 S HN 0.754 nan 8.310 nan 0.000 0.514 725 G N -0.041 108.777 108.800 0.030 0.000 2.846 725 G HA2 0.587 4.547 3.960 -0.001 0.000 0.299 725 G HA3 0.587 4.547 3.960 -0.001 0.000 0.299 725 G C 0.561 175.475 174.900 0.023 0.000 1.242 725 G CA -0.124 44.999 45.100 0.038 0.000 0.800 725 G HN 0.706 nan 8.290 nan 0.000 0.538 726 A N -1.248 121.567 122.820 -0.009 0.000 1.978 726 A HA 0.070 4.390 4.320 -0.001 0.000 0.220 726 A C 1.919 179.388 177.584 -0.193 0.000 1.170 726 A CA 2.068 54.030 52.037 -0.126 0.000 0.636 726 A CB -0.633 18.218 19.000 -0.248 0.000 0.810 726 A HN 0.591 nan 8.150 nan 0.000 0.448 727 Y N -0.851 119.396 120.300 -0.088 0.000 2.301 727 Y HA 0.350 4.900 4.550 -0.001 0.000 0.295 727 Y C 0.867 176.669 175.900 -0.162 0.000 1.126 727 Y CA -0.001 57.983 58.100 -0.193 0.000 1.154 727 Y CB -0.149 37.860 38.460 -0.751 0.000 1.075 727 Y HN 0.015 nan 8.280 nan 0.000 0.534 728 L N 0.601 121.794 121.223 -0.050 0.000 2.307 728 L HA 0.220 4.559 4.340 -0.001 0.000 0.282 728 L C -1.136 175.783 176.870 0.081 0.000 1.051 728 L CA -0.585 54.222 54.840 -0.056 0.000 0.804 728 L CB 0.967 42.938 42.059 -0.146 0.000 1.197 728 L HN 0.026 nan 8.230 nan 0.000 0.431 729 F N 5.050 124.942 119.950 -0.097 0.000 2.361 729 F HA 0.479 5.006 4.527 -0.001 0.000 0.364 729 F C -0.671 175.046 175.800 -0.137 0.000 1.117 729 F CA -1.149 56.753 58.000 -0.163 0.000 1.071 729 F CB 0.622 39.458 39.000 -0.273 0.000 1.188 729 F HN 0.219 nan 8.300 nan 0.000 0.464 730 L N 9.111 130.231 121.223 -0.171 0.000 2.556 730 L HA 0.332 4.671 4.340 -0.001 0.000 0.243 730 L C -2.354 174.338 176.870 -0.297 0.000 1.331 730 L CA -1.721 52.964 54.840 -0.259 0.000 0.927 730 L CB 0.993 42.981 42.059 -0.117 0.000 1.219 730 L HN 0.389 nan 8.230 nan 0.000 0.490 731 P HA 0.042 nan 4.420 nan 0.000 0.272 731 P C -0.460 176.757 177.300 -0.139 0.000 1.223 731 P CA -0.290 62.624 63.100 -0.310 0.000 0.784 731 P CB 0.592 31.985 31.700 -0.512 0.000 0.923 732 N N 1.116 119.806 118.700 -0.017 0.000 3.250 732 N HA 0.266 5.006 4.740 -0.001 0.000 0.307 732 N C 0.662 176.187 175.510 0.025 0.000 1.355 732 N CA -0.151 52.894 53.050 -0.009 0.000 1.192 732 N CB -0.873 37.620 38.487 0.009 0.000 1.478 732 N HN 0.741 nan 8.380 nan 0.000 0.543 733 G N 0.730 109.540 108.800 0.017 0.000 2.655 733 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.680 733 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.680 733 G C -3.051 171.921 174.900 0.121 0.000 1.302 733 G CA -1.090 44.036 45.100 0.043 0.000 0.872 733 G HN 0.359 nan 8.290 nan 0.000 0.540 734 P HA 0.447 nan 4.420 nan 0.000 0.269 734 P C 0.534 177.793 177.300 -0.068 0.000 1.217 734 P CA 0.665 63.823 63.100 0.097 0.000 0.783 734 P CB 0.325 32.051 31.700 0.044 0.000 0.898 735 A N 2.123 124.713 122.820 -0.383 0.000 2.425 735 A HA 0.364 4.684 4.320 -0.001 0.000 0.242 735 A C 0.238 177.672 177.584 -0.250 0.000 1.077 735 A CA 0.271 51.930 52.037 -0.629 0.000 0.781 735 A CB -0.284 18.076 19.000 -1.067 0.000 1.020 735 A HN 0.478 nan 8.150 nan 0.000 0.494 736 S N 2.509 118.103 115.700 -0.177 0.000 2.509 736 S HA 0.571 5.041 4.470 -0.001 0.000 0.297 736 S C -2.673 171.893 174.600 -0.057 0.000 1.118 736 S CA -1.020 57.133 58.200 -0.078 0.000 1.074 736 S CB 1.244 64.421 63.200 -0.039 0.000 1.038 736 S HN 0.570 nan 8.310 nan 0.000 0.498 737 P HA 0.071 nan 4.420 nan 0.000 0.265 737 P C -0.677 176.635 177.300 0.020 0.000 1.193 737 P CA -0.277 62.826 63.100 0.006 0.000 0.765 737 P CB 0.248 31.962 31.700 0.024 0.000 0.823 738 V N 4.085 124.024 119.914 0.042 0.000 2.540 738 V HA -0.059 4.061 4.120 -0.001 0.000 0.297 738 V C 1.020 177.137 176.094 0.038 0.000 1.024 738 V CA 0.396 62.721 62.300 0.041 0.000 1.105 738 V CB -0.461 31.396 31.823 0.056 0.000 0.938 738 V HN 0.519 nan 8.190 nan 0.000 0.482 739 E N 4.878 125.094 120.200 0.027 0.000 2.217 739 E HA 0.131 4.481 4.350 -0.001 0.000 0.279 739 E C 0.474 177.089 176.600 0.026 0.000 1.068 739 E CA -0.179 56.238 56.400 0.028 0.000 0.882 739 E CB 0.807 30.521 29.700 0.024 0.000 1.039 739 E HN 0.567 nan 8.360 nan 0.000 0.418 740 L N 2.663 123.907 121.223 0.034 0.000 2.446 740 L HA 0.101 4.441 4.340 -0.001 0.000 0.219 740 L C 1.408 178.298 176.870 0.034 0.000 1.116 740 L CA 0.424 55.282 54.840 0.031 0.000 0.844 740 L CB -0.629 41.458 42.059 0.046 0.000 0.970 740 L HN 0.857 nan 8.230 nan 0.000 0.457 741 G N 0.863 109.685 108.800 0.037 0.000 2.574 741 G HA2 -0.415 3.545 3.960 -0.001 0.000 0.286 741 G HA3 -0.415 3.545 3.960 -0.001 0.000 0.286 741 G C 0.074 175.000 174.900 0.044 0.000 1.212 741 G CA 0.338 45.461 45.100 0.038 0.000 0.979 741 G HN 0.373 nan 8.290 nan 0.000 0.557 742 Q N 1.638 121.466 119.800 0.046 0.000 2.644 742 Q HA 0.499 4.839 4.340 -0.001 0.000 0.245 742 Q C -2.219 173.818 176.000 0.063 0.000 1.064 742 Q CA -1.636 54.198 55.803 0.052 0.000 0.860 742 Q CB 1.255 30.019 28.738 0.044 0.000 1.145 742 Q HN 0.606 nan 8.270 nan 0.000 0.515 743 P HA 0.074 nan 4.420 nan 0.000 0.274 743 P C -0.561 176.806 177.300 0.112 0.000 1.231 743 P CA -0.324 62.826 63.100 0.084 0.000 0.790 743 P CB 1.152 32.886 31.700 0.056 0.000 0.951 744 V N 2.270 122.287 119.914 0.171 0.000 2.530 744 V HA 0.135 4.254 4.120 -0.001 0.000 0.282 744 V C 0.511 176.764 176.094 0.265 0.000 1.048 744 V CA -0.211 62.214 62.300 0.209 0.000 0.997 744 V CB 1.181 33.164 31.823 0.267 0.000 0.987 744 V HN 0.260 nan 8.190 nan 0.000 0.477 745 V N 6.295 126.309 119.914 0.166 0.000 2.495 745 V HA 0.482 4.602 4.120 -0.001 0.000 0.298 745 V C -0.435 175.689 176.094 0.050 0.000 1.031 745 V CA -0.648 61.728 62.300 0.127 0.000 0.871 745 V CB 1.722 33.577 31.823 0.054 0.000 0.988 745 V HN 0.671 nan 8.190 nan 0.000 0.432 746 L N 6.469 127.719 121.223 0.045 0.000 2.305 746 L HA 0.725 5.065 4.340 -0.001 0.000 0.284 746 L C -0.645 176.122 176.870 -0.173 0.000 1.013 746 L CA -0.006 54.736 54.840 -0.162 0.000 0.819 746 L CB 1.755 43.620 42.059 -0.323 0.000 1.227 746 L HN 0.443 nan 8.230 nan 0.000 0.417 747 V N 4.162 123.963 119.914 -0.189 0.000 2.357 747 V HA 0.531 4.651 4.120 -0.001 0.000 0.284 747 V C 0.005 176.033 176.094 -0.109 0.000 1.018 747 V CA -0.388 61.822 62.300 -0.150 0.000 0.841 747 V CB 1.496 33.247 31.823 -0.120 0.000 0.991 747 V HN 0.842 nan 8.190 nan 0.000 0.437 748 T N 5.445 119.962 114.554 -0.061 0.000 2.779 748 T HA 0.439 4.788 4.350 -0.001 0.000 0.280 748 T C -0.378 174.353 174.700 0.052 0.000 0.987 748 T CA -0.555 61.564 62.100 0.031 0.000 0.966 748 T CB 1.130 70.055 68.868 0.095 0.000 0.933 748 T HN 0.646 nan 8.240 nan 0.000 0.442 749 K N 2.415 122.862 120.400 0.078 0.000 2.450 749 K HA 0.677 4.997 4.320 -0.001 0.000 0.257 749 K C -0.411 176.249 176.600 0.101 0.000 0.953 749 K CA -0.577 55.756 56.287 0.077 0.000 0.844 749 K CB 1.036 33.573 32.500 0.063 0.000 1.103 749 K HN 0.798 nan 8.250 nan 0.000 0.429 750 G N 2.198 111.055 108.800 0.095 0.000 2.680 750 G HA2 0.176 4.136 3.960 -0.001 0.000 0.290 750 G HA3 0.176 4.136 3.960 -0.001 0.000 0.290 750 G C -0.250 174.697 174.900 0.077 0.000 1.355 750 G CA -0.614 44.544 45.100 0.096 0.000 0.903 750 G HN 0.643 nan 8.290 nan 0.000 0.474 751 K N -0.406 120.034 120.400 0.068 0.000 2.097 751 K HA 0.126 4.446 4.320 -0.001 0.000 0.205 751 K C 1.784 178.420 176.600 0.060 0.000 1.050 751 K CA 1.039 57.361 56.287 0.059 0.000 0.938 751 K CB -0.148 32.383 32.500 0.051 0.000 0.718 751 K HN 0.429 nan 8.250 nan 0.000 0.442 752 L N -0.708 120.553 121.223 0.063 0.000 2.357 752 L HA 0.198 4.538 4.340 -0.001 0.000 0.211 752 L C 0.609 177.516 176.870 0.061 0.000 1.075 752 L CA 0.124 55.001 54.840 0.062 0.000 0.830 752 L CB 0.347 42.445 42.059 0.065 0.000 0.996 752 L HN 0.156 nan 8.230 nan 0.000 0.467 753 E N -0.288 119.954 120.200 0.070 0.000 2.304 753 E HA 0.405 4.755 4.350 -0.001 0.000 0.277 753 E C -1.471 175.177 176.600 0.080 0.000 0.898 753 E CA -0.226 56.217 56.400 0.071 0.000 0.764 753 E CB 2.180 31.921 29.700 0.069 0.000 1.216 753 E HN -0.118 nan 8.360 nan 0.000 0.419 754 S N 1.430 117.175 115.700 0.075 0.000 2.634 754 S HA 0.733 5.202 4.470 -0.001 0.000 0.296 754 S C -1.309 173.322 174.600 0.051 0.000 1.104 754 S CA -0.730 57.510 58.200 0.067 0.000 0.920 754 S CB 1.928 65.169 63.200 0.068 0.000 1.111 754 S HN 0.412 nan 8.310 nan 0.000 0.493 755 S N 0.651 116.358 115.700 0.012 0.000 2.537 755 S HA 0.665 5.135 4.470 -0.001 0.000 0.270 755 S C -1.903 172.615 174.600 -0.138 0.000 1.142 755 S CA -0.495 57.688 58.200 -0.028 0.000 0.870 755 S CB 1.095 64.305 63.200 0.016 0.000 1.112 755 S HN 0.455 nan 8.310 nan 0.000 0.466 756 V N 3.496 123.265 119.914 -0.242 0.000 2.444 756 V HA 0.670 4.790 4.120 -0.001 0.000 0.294 756 V C -0.394 175.575 176.094 -0.209 0.000 1.022 756 V CA -0.501 61.586 62.300 -0.356 0.000 0.850 756 V CB 1.567 32.860 31.823 -0.883 0.000 0.992 756 V HN 0.868 nan 8.190 nan 0.000 0.426 757 S N 3.246 118.881 115.700 -0.107 0.000 2.513 757 S HA 0.783 5.253 4.470 -0.001 0.000 0.299 757 S C -0.840 173.714 174.600 -0.077 0.000 1.087 757 S CA -0.616 57.534 58.200 -0.084 0.000 1.012 757 S CB 2.161 65.416 63.200 0.092 0.000 1.044 757 S HN 0.647 nan 8.310 nan 0.000 0.485 758 V N 2.099 121.844 119.914 -0.282 0.000 2.760 758 V HA 0.799 4.919 4.120 -0.001 0.000 0.309 758 V C -0.018 175.726 176.094 -0.584 0.000 1.077 758 V CA -0.434 61.709 62.300 -0.262 0.000 0.910 758 V CB 1.760 33.562 31.823 -0.036 0.000 1.008 758 V HN 0.993 nan 8.190 nan 0.000 0.424 759 G N 7.062 115.535 108.800 -0.545 0.000 2.639 759 G HA2 0.519 4.478 3.960 -0.001 0.000 0.312 759 G HA3 0.519 4.478 3.960 -0.001 0.000 0.312 759 G C -0.511 174.289 174.900 -0.166 0.000 0.911 759 G CA -0.303 44.544 45.100 -0.421 0.000 1.410 759 G HN 0.696 nan 8.290 nan 0.000 0.469 760 L N 2.751 123.833 121.223 -0.236 0.000 2.387 760 L HA 0.391 4.731 4.340 -0.001 0.000 0.266 760 L C -2.005 174.768 176.870 -0.162 0.000 1.059 760 L CA -2.338 52.389 54.840 -0.189 0.000 0.801 760 L CB 1.814 43.682 42.059 -0.318 0.000 1.223 760 L HN 0.205 nan 8.230 nan 0.000 0.456 761 P HA 0.067 nan 4.420 nan 0.000 0.266 761 P C 0.045 177.261 177.300 -0.140 0.000 1.215 761 P CA 0.425 63.471 63.100 -0.091 0.000 0.763 761 P CB 0.896 32.565 31.700 -0.051 0.000 0.806 762 S N -0.197 115.425 115.700 -0.129 0.000 2.769 762 S HA -0.118 4.352 4.470 -0.001 0.000 0.264 762 S C 0.226 174.721 174.600 -0.176 0.000 1.288 762 S CA 1.269 59.391 58.200 -0.129 0.000 1.378 762 S CB -1.585 61.562 63.200 -0.089 0.000 1.702 762 S HN 0.402 nan 8.310 nan 0.000 0.656 763 V N 1.300 121.055 119.914 -0.265 0.000 2.655 763 V HA 0.450 4.570 4.120 -0.001 0.000 0.301 763 V C -0.227 175.651 176.094 -0.359 0.000 1.082 763 V CA -0.821 61.279 62.300 -0.333 0.000 0.899 763 V CB 2.105 33.562 31.823 -0.610 0.000 1.014 763 V HN 0.112 nan 8.190 nan 0.000 0.429 764 V N 4.062 123.780 119.914 -0.326 0.000 2.368 764 V HA 0.314 4.433 4.120 -0.001 0.000 0.266 764 V C -0.126 175.772 176.094 -0.326 0.000 1.045 764 V CA -0.320 61.691 62.300 -0.481 0.000 0.899 764 V CB 0.657 32.093 31.823 -0.646 0.000 1.006 764 V HN 0.934 nan 8.190 nan 0.000 0.470 765 H N 4.459 123.283 119.070 -0.411 0.000 2.467 765 H HA 0.591 5.146 4.556 -0.001 0.000 0.326 765 H C -0.404 174.815 175.328 -0.181 0.000 1.094 765 H CA -0.188 55.718 56.048 -0.237 0.000 1.253 765 H CB 1.182 30.829 29.762 -0.192 0.000 1.439 765 H HN 0.688 nan 8.280 nan 0.000 0.479 766 Q N 3.959 123.470 119.800 -0.482 0.000 2.323 766 Q HA 0.373 4.712 4.340 -0.001 0.000 0.271 766 Q C -1.359 174.448 176.000 -0.322 0.000 1.048 766 Q CA -0.906 54.702 55.803 -0.326 0.000 0.792 766 Q CB 1.623 30.274 28.738 -0.145 0.000 1.280 766 Q HN 0.758 nan 8.270 nan 0.000 0.441 767 T N 4.915 119.359 114.554 -0.184 0.000 2.772 767 T HA 0.536 4.885 4.350 -0.001 0.000 0.288 767 T C -0.345 174.387 174.700 0.052 0.000 0.994 767 T CA -0.314 61.795 62.100 0.015 0.000 0.951 767 T CB 0.288 69.327 68.868 0.286 0.000 0.933 767 T HN 0.455 nan 8.240 nan 0.000 0.447 768 I N 3.677 124.292 120.570 0.074 0.000 2.433 768 I HA 0.496 4.665 4.170 -0.001 0.000 0.292 768 I C -0.208 175.966 176.117 0.096 0.000 1.001 768 I CA -0.780 60.563 61.300 0.071 0.000 1.119 768 I CB 1.755 39.788 38.000 0.055 0.000 1.289 768 I HN 0.382 nan 8.210 nan 0.000 0.438 769 M N 5.924 125.581 119.600 0.094 0.000 2.253 769 M HA 0.481 4.961 4.480 -0.001 0.000 0.314 769 M C 0.084 176.429 176.300 0.075 0.000 1.019 769 M CA -0.369 54.989 55.300 0.097 0.000 0.932 769 M CB 2.193 34.866 32.600 0.122 0.000 1.606 769 M HN 0.502 nan 8.290 nan 0.000 0.430 770 R N 1.027 121.566 120.500 0.064 0.000 2.572 770 R HA 0.353 4.693 4.340 -0.001 0.000 0.370 770 R C 0.799 177.128 176.300 0.049 0.000 1.005 770 R CA 0.234 56.365 56.100 0.053 0.000 1.146 770 R CB 1.117 31.441 30.300 0.040 0.000 1.390 770 R HN 1.141 nan 8.270 nan 0.000 0.553 771 G N -0.463 108.369 108.800 0.053 0.000 2.231 771 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.206 771 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.206 771 G C 0.289 175.212 174.900 0.039 0.000 0.996 771 G CA -0.395 44.732 45.100 0.046 0.000 0.645 771 G HN 0.518 nan 8.290 nan 0.000 0.498 772 G N -0.098 108.727 108.800 0.041 0.000 3.252 772 G HA2 0.798 4.757 3.960 -0.001 0.000 0.181 772 G HA3 0.798 4.757 3.960 -0.001 0.000 0.181 772 G C 0.474 175.398 174.900 0.040 0.000 1.187 772 G CA 0.423 45.543 45.100 0.033 0.000 0.886 772 G HN 1.542 nan 8.290 nan 0.000 0.615 773 A N 1.392 124.233 122.820 0.035 0.000 2.565 773 A HA 0.491 4.811 4.320 -0.001 0.000 0.237 773 A C -1.697 175.928 177.584 0.068 0.000 1.053 773 A CA -0.351 51.712 52.037 0.044 0.000 0.755 773 A CB -0.488 18.534 19.000 0.038 0.000 0.980 773 A HN 0.396 nan 8.150 nan 0.000 0.506 774 P HA 0.132 nan 4.420 nan 0.000 0.272 774 P C -0.457 176.918 177.300 0.124 0.000 1.230 774 P CA -0.204 62.965 63.100 0.115 0.000 0.788 774 P CB 0.638 32.430 31.700 0.153 0.000 0.949 775 E N 1.265 121.535 120.200 0.117 0.000 2.175 775 E HA 0.369 4.718 4.350 -0.001 0.000 0.278 775 E C -0.769 175.911 176.600 0.133 0.000 0.969 775 E CA -0.712 55.762 56.400 0.122 0.000 0.796 775 E CB 0.558 30.307 29.700 0.082 0.000 1.104 775 E HN 0.212 nan 8.360 nan 0.000 0.395 776 I N 4.269 124.952 120.570 0.189 0.000 2.377 776 I HA 0.404 4.573 4.170 -0.001 0.000 0.293 776 I C 0.020 176.264 176.117 0.212 0.000 0.987 776 I CA -0.593 60.800 61.300 0.155 0.000 1.185 776 I CB 1.227 39.328 38.000 0.169 0.000 1.341 776 I HN 0.557 nan 8.210 nan 0.000 0.455 777 R N 4.673 125.226 120.500 0.089 0.000 2.534 777 R HA 0.497 4.836 4.340 -0.001 0.000 0.301 777 R C -0.929 175.429 176.300 0.096 0.000 0.961 777 R CA -0.853 55.314 56.100 0.112 0.000 0.871 777 R CB 2.021 32.346 30.300 0.042 0.000 1.170 777 R HN 0.459 nan 8.270 nan 0.000 0.446 778 N N 2.590 121.408 118.700 0.196 0.000 2.443 778 N HA 0.194 4.934 4.740 -0.001 0.000 0.269 778 N C -1.268 174.264 175.510 0.038 0.000 0.985 778 N CA -0.701 52.439 53.050 0.150 0.000 0.921 778 N CB 1.851 40.529 38.487 0.319 0.000 1.195 778 N HN 0.325 nan 8.380 nan 0.000 0.492 779 L N 3.736 124.925 121.223 -0.055 0.000 2.282 779 L HA 0.363 4.702 4.340 -0.001 0.000 0.287 779 L C -0.986 175.823 176.870 -0.101 0.000 1.075 779 L CA -0.434 54.355 54.840 -0.086 0.000 0.839 779 L CB 0.415 42.419 42.059 -0.092 0.000 1.219 779 L HN 0.215 nan 8.230 nan 0.000 0.434 780 V N 4.608 124.462 119.914 -0.100 0.000 2.350 780 V HA 0.377 4.497 4.120 -0.001 0.000 0.276 780 V C -0.455 175.600 176.094 -0.065 0.000 1.028 780 V CA -0.500 61.755 62.300 -0.074 0.000 0.860 780 V CB 1.252 33.058 31.823 -0.028 0.000 0.990 780 V HN 0.682 nan 8.190 nan 0.000 0.453 781 D N 4.038 124.399 120.400 -0.065 0.000 2.375 781 D HA 0.268 4.907 4.640 -0.001 0.000 0.259 781 D C 0.504 176.773 176.300 -0.051 0.000 1.235 781 D CA -0.404 53.563 54.000 -0.055 0.000 0.924 781 D CB 1.382 42.142 40.800 -0.066 0.000 1.143 781 D HN 0.465 nan 8.370 nan 0.000 0.529 782 I N 2.378 122.934 120.570 -0.023 0.000 3.176 782 I HA 0.076 4.245 4.170 -0.001 0.000 0.275 782 I C 1.378 177.480 176.117 -0.025 0.000 1.298 782 I CA 1.068 62.360 61.300 -0.012 0.000 1.445 782 I CB -0.246 37.767 38.000 0.022 0.000 1.075 782 I HN 0.624 nan 8.210 nan 0.000 0.482 783 G N 0.882 109.659 108.800 -0.038 0.000 2.611 783 G HA2 -0.431 3.528 3.960 -0.001 0.000 0.301 783 G HA3 -0.431 3.528 3.960 -0.001 0.000 0.301 783 G C 0.574 175.455 174.900 -0.030 0.000 1.233 783 G CA 0.474 45.543 45.100 -0.051 0.000 0.993 783 G HN 0.684 nan 8.290 nan 0.000 0.553 784 S N -0.070 115.610 115.700 -0.033 0.000 2.574 784 S HA 0.541 5.011 4.470 -0.001 0.000 0.242 784 S C 0.790 175.386 174.600 -0.006 0.000 0.982 784 S CA 0.045 58.235 58.200 -0.016 0.000 0.977 784 S CB 0.068 63.257 63.200 -0.019 0.000 0.814 784 S HN 0.686 nan 8.310 nan 0.000 0.464 785 L N 2.959 124.180 121.223 -0.004 0.000 2.415 785 L HA 0.275 4.615 4.340 -0.001 0.000 0.269 785 L C -0.357 176.526 176.870 0.022 0.000 1.244 785 L CA -0.357 54.488 54.840 0.008 0.000 1.113 785 L CB -0.701 41.363 42.059 0.009 0.000 1.352 785 L HN 0.139 nan 8.230 nan 0.000 0.433 786 D N 2.715 123.127 120.400 0.021 0.000 2.423 786 D HA -0.016 4.623 4.640 -0.001 0.000 0.238 786 D C 0.713 177.036 176.300 0.038 0.000 1.142 786 D CA 0.373 54.389 54.000 0.028 0.000 0.884 786 D CB 0.315 41.129 40.800 0.023 0.000 1.199 786 D HN 0.321 nan 8.370 nan 0.000 0.438 787 N N 0.493 119.219 118.700 0.044 0.000 2.725 787 N HA -0.173 4.566 4.740 -0.001 0.000 0.251 787 N C -0.953 174.601 175.510 0.072 0.000 1.031 787 N CA 0.849 53.932 53.050 0.055 0.000 0.720 787 N CB -1.262 37.253 38.487 0.046 0.000 0.930 787 N HN 0.294 nan 8.380 nan 0.000 0.543 788 T N 0.470 115.070 114.554 0.077 0.000 2.886 788 T HA 0.409 4.759 4.350 -0.001 0.000 0.292 788 T C -0.254 174.512 174.700 0.110 0.000 1.012 788 T CA -0.719 61.438 62.100 0.095 0.000 0.982 788 T CB 2.312 71.222 68.868 0.069 0.000 1.018 788 T HN 0.024 nan 8.240 nan 0.000 0.451 789 E N 2.535 122.831 120.200 0.159 0.000 2.191 789 E HA 0.411 4.760 4.350 -0.001 0.000 0.263 789 E C -0.679 176.041 176.600 0.199 0.000 0.881 789 E CA -0.900 55.592 56.400 0.154 0.000 0.757 789 E CB 1.868 31.638 29.700 0.118 0.000 1.147 789 E HN 0.339 nan 8.360 nan 0.000 0.414 790 I N 3.032 123.701 120.570 0.166 0.000 2.331 790 I HA 0.244 4.413 4.170 -0.001 0.000 0.292 790 I C 0.068 176.320 176.117 0.226 0.000 0.998 790 I CA -0.597 60.814 61.300 0.185 0.000 1.267 790 I CB 1.229 39.325 38.000 0.161 0.000 1.386 790 I HN 0.289 nan 8.210 nan 0.000 0.476 791 V N 8.248 128.297 119.914 0.224 0.000 2.628 791 V HA 0.511 4.631 4.120 -0.001 0.000 0.306 791 V C -0.330 175.797 176.094 0.054 0.000 1.045 791 V CA -0.792 61.625 62.300 0.195 0.000 0.905 791 V CB 2.291 34.288 31.823 0.289 0.000 0.997 791 V HN 0.771 nan 8.190 nan 0.000 0.436 792 M N 7.186 126.742 119.600 -0.074 0.000 2.149 792 M HA 0.568 5.048 4.480 -0.001 0.000 0.342 792 M C -0.573 175.579 176.300 -0.246 0.000 1.068 792 M CA -0.438 54.589 55.300 -0.454 0.000 0.991 792 M CB 0.645 32.938 32.600 -0.512 0.000 1.596 792 M HN 0.749 nan 8.290 nan 0.000 0.439 793 R N 4.540 124.881 120.500 -0.265 0.000 2.711 793 R HA 0.720 5.059 4.340 -0.001 0.000 0.284 793 R C -1.957 174.251 176.300 -0.152 0.000 0.968 793 R CA -0.628 55.385 56.100 -0.146 0.000 0.924 793 R CB 1.531 31.762 30.300 -0.114 0.000 1.162 793 R HN 0.804 nan 8.270 nan 0.000 0.465 794 L N 3.102 124.218 121.223 -0.177 0.000 2.313 794 L HA 0.429 4.768 4.340 -0.001 0.000 0.283 794 L C -0.571 176.190 176.870 -0.180 0.000 1.013 794 L CA -0.429 54.236 54.840 -0.292 0.000 0.816 794 L CB 1.992 43.830 42.059 -0.368 0.000 1.236 794 L HN 0.613 nan 8.230 nan 0.000 0.419 795 E N 2.088 122.197 120.200 -0.151 0.000 2.158 795 E HA 0.519 4.868 4.350 -0.001 0.000 0.271 795 E C -0.622 175.915 176.600 -0.105 0.000 0.911 795 E CA -0.501 55.862 56.400 -0.062 0.000 0.767 795 E CB 2.144 31.861 29.700 0.029 0.000 1.120 795 E HN 0.614 nan 8.360 nan 0.000 0.405 796 T N -0.881 113.620 114.554 -0.088 0.000 2.804 796 T HA 0.335 4.685 4.350 -0.001 0.000 0.290 796 T C -0.179 174.499 174.700 -0.037 0.000 1.099 796 T CA -0.868 61.133 62.100 -0.167 0.000 1.011 796 T CB 1.149 69.951 68.868 -0.111 0.000 1.291 796 T HN 0.435 nan 8.240 nan 0.000 0.523 797 H N 0.413 119.474 119.070 -0.015 0.000 2.490 797 H HA 0.456 5.011 4.556 -0.001 0.000 0.285 797 H C -0.089 175.239 175.328 -0.000 0.000 1.127 797 H CA -0.893 55.151 56.048 -0.006 0.000 0.993 797 H CB -0.781 28.977 29.762 -0.005 0.000 1.653 797 H HN 0.473 nan 8.280 nan 0.000 0.557 798 I N 1.353 121.973 120.570 0.083 0.000 2.533 798 I HA -0.082 4.087 4.170 -0.001 0.000 0.284 798 I C 0.760 176.920 176.117 0.072 0.000 1.109 798 I CA 0.026 61.364 61.300 0.063 0.000 1.412 798 I CB 0.668 38.695 38.000 0.045 0.000 1.396 798 I HN 0.035 nan 8.210 nan 0.000 0.543 799 D N 4.535 124.974 120.400 0.066 0.000 2.713 799 D HA 0.023 4.662 4.640 -0.001 0.000 0.229 799 D C 1.270 177.611 176.300 0.068 0.000 1.136 799 D CA -0.023 54.012 54.000 0.060 0.000 1.010 799 D CB 0.354 41.182 40.800 0.047 0.000 1.084 799 D HN 0.547 nan 8.370 nan 0.000 0.495 800 S N 0.260 116.008 115.700 0.079 0.000 2.496 800 S HA 0.228 4.697 4.470 -0.001 0.000 0.224 800 S C 1.633 176.286 174.600 0.089 0.000 0.996 800 S CA 0.302 58.563 58.200 0.101 0.000 0.927 800 S CB -0.204 63.068 63.200 0.120 0.000 0.774 800 S HN 0.529 nan 8.310 nan 0.000 0.524 801 G N 3.197 112.039 108.800 0.070 0.000 2.574 801 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.301 801 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.301 801 G C 0.157 175.101 174.900 0.072 0.000 1.166 801 G CA 0.605 45.742 45.100 0.061 0.000 0.971 801 G HN 0.780 nan 8.290 nan 0.000 0.542 802 D N 0.213 120.659 120.400 0.078 0.000 2.440 802 D HA 0.357 4.996 4.640 -0.001 0.000 0.216 802 D C 0.656 177.038 176.300 0.136 0.000 1.150 802 D CA -0.218 53.844 54.000 0.105 0.000 0.832 802 D CB 0.258 41.106 40.800 0.079 0.000 0.992 802 D HN 0.451 nan 8.370 nan 0.000 0.502 803 I N 1.466 122.103 120.570 0.111 0.000 2.412 803 I HA 0.508 4.677 4.170 -0.001 0.000 0.296 803 I C -0.283 175.921 176.117 0.144 0.000 0.987 803 I CA -1.083 60.227 61.300 0.017 0.000 1.180 803 I CB 0.717 38.696 38.000 -0.035 0.000 1.340 803 I HN -0.028 nan 8.210 nan 0.000 0.455 804 F N 4.476 124.251 119.950 -0.291 0.000 2.711 804 F HA 0.692 5.219 4.527 -0.001 0.000 0.313 804 F C -2.072 173.378 175.800 -0.584 0.000 1.141 804 F CA -1.392 56.457 58.000 -0.251 0.000 0.941 804 F CB 1.226 40.148 39.000 -0.128 0.000 1.349 804 F HN 0.185 nan 8.300 nan 0.000 0.464 805 Y N 0.134 120.205 120.300 -0.381 0.000 2.425 805 Y HA 0.680 5.230 4.550 -0.001 0.000 0.344 805 Y C 0.063 175.785 175.900 -0.297 0.000 0.969 805 Y CA -0.699 57.039 58.100 -0.603 0.000 1.052 805 Y CB 2.404 40.079 38.460 -1.308 0.000 1.215 805 Y HN 0.900 nan 8.280 nan 0.000 0.451 806 T N -1.345 113.133 114.554 -0.127 0.000 2.906 806 T HA 0.482 4.832 4.350 -0.001 0.000 0.295 806 T C -1.037 173.495 174.700 -0.279 0.000 1.075 806 T CA -1.077 60.976 62.100 -0.078 0.000 1.005 806 T CB 2.022 70.819 68.868 -0.118 0.000 1.136 806 T HN 0.581 nan 8.240 nan 0.000 0.498 807 D N 1.056 121.144 120.400 -0.521 0.000 2.340 807 D HA 0.352 4.992 4.640 -0.001 0.000 0.251 807 D C -0.596 175.447 176.300 -0.429 0.000 1.080 807 D CA -0.794 52.715 54.000 -0.819 0.000 0.971 807 D CB 1.237 41.291 40.800 -1.244 0.000 1.137 807 D HN 0.555 nan 8.370 nan 0.000 0.475 808 L N 1.027 122.038 121.223 -0.354 0.000 2.294 808 L HA 0.212 4.551 4.340 -0.001 0.000 0.283 808 L C -0.084 176.665 176.870 -0.201 0.000 1.015 808 L CA -0.777 53.943 54.840 -0.199 0.000 0.831 808 L CB 0.400 42.406 42.059 -0.089 0.000 1.217 808 L HN 0.453 nan 8.230 nan 0.000 0.420 809 N N 2.118 120.706 118.700 -0.187 0.000 2.714 809 N HA -0.232 4.507 4.740 -0.001 0.000 0.250 809 N C 0.971 176.269 175.510 -0.354 0.000 1.117 809 N CA 0.905 53.842 53.050 -0.188 0.000 0.719 809 N CB -1.117 37.337 38.487 -0.055 0.000 1.081 809 N HN 1.075 nan 8.380 nan 0.000 0.557 810 G N -1.671 106.921 108.800 -0.345 0.000 2.155 810 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.257 810 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.257 810 G C 0.611 175.489 174.900 -0.038 0.000 0.983 810 G CA 0.668 45.590 45.100 -0.297 0.000 0.676 810 G HN 0.493 nan 8.290 nan 0.000 0.528 811 L N -0.387 120.752 121.223 -0.140 0.000 2.467 811 L HA 0.503 4.842 4.340 -0.001 0.000 0.213 811 L C 0.960 177.715 176.870 -0.190 0.000 1.053 811 L CA 1.938 56.612 54.840 -0.277 0.000 0.847 811 L CB 0.166 41.901 42.059 -0.540 0.000 1.075 811 L HN 0.703 nan 8.230 nan 0.000 0.479 812 Q N -1.712 117.978 119.800 -0.182 0.000 2.435 812 Q HA 0.356 4.696 4.340 -0.001 0.000 0.282 812 Q C -1.699 174.190 176.000 -0.186 0.000 1.020 812 Q CA -0.728 55.032 55.803 -0.071 0.000 0.820 812 Q CB 1.081 29.837 28.738 0.030 0.000 1.436 812 Q HN -0.040 nan 8.270 nan 0.000 0.395 813 F N 1.415 121.329 119.950 -0.059 0.000 2.436 813 F HA 0.594 5.120 4.527 -0.001 0.000 0.340 813 F C -0.145 175.623 175.800 -0.054 0.000 1.113 813 F CA -0.831 57.144 58.000 -0.041 0.000 1.022 813 F CB 1.623 40.646 39.000 0.039 0.000 1.128 813 F HN 0.536 nan 8.300 nan 0.000 0.466 814 I N 3.793 124.373 120.570 0.017 0.000 2.474 814 I HA 0.331 4.501 4.170 -0.001 0.000 0.294 814 I C -0.460 175.518 176.117 -0.230 0.000 1.005 814 I CA -0.879 60.377 61.300 -0.073 0.000 1.113 814 I CB 1.259 39.168 38.000 -0.151 0.000 1.289 814 I HN 0.500 nan 8.210 nan 0.000 0.436 815 K N 6.794 127.015 120.400 -0.299 0.000 2.412 815 K HA 0.241 4.560 4.320 -0.001 0.000 0.281 815 K C -0.829 175.322 176.600 -0.748 0.000 1.027 815 K CA -0.339 55.497 56.287 -0.753 0.000 0.989 815 K CB 0.494 32.695 32.500 -0.499 0.000 0.935 815 K HN 0.506 nan 8.250 nan 0.000 0.475 816 R N 3.320 123.192 120.500 -1.047 0.000 2.664 816 R HA 0.337 4.676 4.340 -0.001 0.000 0.286 816 R C -0.463 175.343 176.300 -0.823 0.000 0.967 816 R CA -0.772 54.651 56.100 -1.128 0.000 0.933 816 R CB 1.538 30.634 30.300 -2.006 0.000 1.146 816 R HN 0.655 nan 8.270 nan 0.000 0.468 817 R N 1.657 121.890 120.500 -0.445 0.000 2.439 817 R HA 0.279 4.619 4.340 -0.001 0.000 0.310 817 R C -0.450 175.889 176.300 0.065 0.000 0.955 817 R CA -0.654 55.358 56.100 -0.146 0.000 0.853 817 R CB 1.425 31.681 30.300 -0.074 0.000 1.171 817 R HN 0.532 nan 8.270 nan 0.000 0.449 818 R N 4.938 125.580 120.500 0.236 0.000 2.522 818 R HA 0.105 4.445 4.340 -0.001 0.000 0.284 818 R C -0.950 175.437 176.300 0.145 0.000 1.032 818 R CA 0.239 56.515 56.100 0.294 0.000 1.049 818 R CB 0.391 30.852 30.300 0.267 0.000 0.956 818 R HN 0.548 nan 8.270 nan 0.000 0.422 819 L N 5.069 126.356 121.223 0.107 0.000 2.316 819 L HA 0.218 4.557 4.340 -0.001 0.000 0.280 819 L C 0.165 177.030 176.870 -0.009 0.000 1.006 819 L CA -0.683 54.175 54.840 0.030 0.000 0.836 819 L CB 1.930 43.976 42.059 -0.021 0.000 1.221 819 L HN 0.648 nan 8.230 nan 0.000 0.418 820 D N 1.566 121.967 120.400 0.003 0.000 2.348 820 D HA -0.117 4.522 4.640 -0.001 0.000 0.216 820 D C 1.747 178.030 176.300 -0.028 0.000 0.970 820 D CA 0.816 54.812 54.000 -0.007 0.000 0.889 820 D CB 0.358 41.163 40.800 0.009 0.000 0.912 820 D HN 0.552 nan 8.370 nan 0.000 0.524 821 K N 0.191 120.566 120.400 -0.042 0.000 2.432 821 K HA 0.004 4.324 4.320 -0.001 0.000 0.196 821 K C 0.671 177.210 176.600 -0.103 0.000 1.038 821 K CA 0.373 56.631 56.287 -0.049 0.000 0.986 821 K CB 0.306 32.790 32.500 -0.026 0.000 0.782 821 K HN 0.109 nan 8.250 nan 0.000 0.485 822 L N 2.205 123.330 121.223 -0.164 0.000 2.334 822 L HA 0.459 4.799 4.340 -0.001 0.000 0.270 822 L C -2.243 174.521 176.870 -0.177 0.000 1.018 822 L CA -2.928 51.773 54.840 -0.231 0.000 0.811 822 L CB 1.357 43.178 42.059 -0.397 0.000 1.271 822 L HN -0.048 nan 8.230 nan 0.000 0.443 823 P HA 0.039 nan 4.420 nan 0.000 0.272 823 P C 0.835 178.009 177.300 -0.209 0.000 1.240 823 P CA -0.397 62.605 63.100 -0.163 0.000 0.791 823 P CB 1.180 32.809 31.700 -0.119 0.000 0.978 824 L N 0.861 121.989 121.223 -0.158 0.000 2.021 824 L HA -0.284 4.056 4.340 -0.001 0.000 0.215 824 L C 2.498 179.281 176.870 -0.145 0.000 1.074 824 L CA 1.940 56.711 54.840 -0.116 0.000 0.760 824 L CB -0.639 41.350 42.059 -0.117 0.000 0.889 824 L HN 0.433 nan 8.230 nan 0.000 0.433 825 Q N -0.307 119.300 119.800 -0.321 0.000 2.291 825 Q HA -0.171 4.168 4.340 -0.001 0.000 0.206 825 Q C 1.902 177.809 176.000 -0.156 0.000 0.976 825 Q CA 1.490 57.142 55.803 -0.251 0.000 0.875 825 Q CB -0.546 27.970 28.738 -0.370 0.000 0.927 825 Q HN 0.607 nan 8.270 nan 0.000 0.450 826 A N 1.611 124.122 122.820 -0.515 0.000 2.066 826 A HA -0.075 4.245 4.320 -0.001 0.000 0.218 826 A C 1.682 179.089 177.584 -0.294 0.000 1.157 826 A CA 0.962 52.544 52.037 -0.759 0.000 0.670 826 A CB -0.251 17.967 19.000 -1.304 0.000 0.804 826 A HN 0.366 nan 8.150 nan 0.000 0.453 827 N N -1.288 117.353 118.700 -0.098 0.000 2.398 827 N HA 0.049 4.789 4.740 -0.001 0.000 0.188 827 N C -0.798 174.817 175.510 0.176 0.000 1.122 827 N CA 0.187 53.296 53.050 0.098 0.000 0.866 827 N CB 0.038 38.628 38.487 0.172 0.000 0.970 827 N HN 0.462 nan 8.380 nan 0.000 0.462 828 Y N 0.326 120.598 120.300 -0.047 0.000 2.319 828 Y HA 0.177 4.726 4.550 -0.001 0.000 0.328 828 Y C -0.163 175.699 175.900 -0.063 0.000 1.133 828 Y CA -0.038 58.113 58.100 0.084 0.000 1.265 828 Y CB 0.343 38.919 38.460 0.194 0.000 1.218 828 Y HN -0.065 nan 8.280 nan 0.000 0.508 829 Y N 3.232 123.673 120.300 0.236 0.000 2.605 829 Y HA 0.447 4.997 4.550 -0.001 0.000 0.343 829 Y C -2.296 173.309 175.900 -0.491 0.000 1.036 829 Y CA -2.959 55.134 58.100 -0.012 0.000 1.065 829 Y CB 1.452 39.899 38.460 -0.020 0.000 1.288 829 Y HN 0.447 nan 8.280 nan 0.000 0.481 830 P HA 0.104 nan 4.420 nan 0.000 0.268 830 P C -0.628 176.432 177.300 -0.399 0.000 1.204 830 P CA 0.278 62.787 63.100 -0.985 0.000 0.768 830 P CB 0.481 31.517 31.700 -1.106 0.000 0.842 831 I N 5.152 125.570 120.570 -0.254 0.000 2.692 831 I HA 0.168 4.337 4.170 -0.001 0.000 0.285 831 I C -1.672 174.374 176.117 -0.117 0.000 1.191 831 I CA -2.445 58.778 61.300 -0.128 0.000 1.128 831 I CB 0.626 38.608 38.000 -0.030 0.000 1.585 831 I HN 0.208 nan 8.210 nan 0.000 0.558 832 P HA -0.068 nan 4.420 nan 0.000 0.221 832 P C 1.065 178.334 177.300 -0.051 0.000 1.150 832 P CA 1.229 64.255 63.100 -0.123 0.000 0.800 832 P CB 0.561 32.159 31.700 -0.171 0.000 0.787 833 S N -3.614 112.061 115.700 -0.042 0.000 2.483 833 S HA 0.448 4.918 4.470 -0.001 0.000 0.280 833 S C 0.555 175.245 174.600 0.149 0.000 1.059 833 S CA 0.317 58.550 58.200 0.055 0.000 1.359 833 S CB 0.278 63.534 63.200 0.093 0.000 1.171 833 S HN 0.324 nan 8.310 nan 0.000 0.625 834 G N 1.574 110.466 108.800 0.153 0.000 2.466 834 G HA2 0.571 4.531 3.960 -0.001 0.000 0.291 834 G HA3 0.571 4.531 3.960 -0.001 0.000 0.291 834 G C -1.469 173.681 174.900 0.416 0.000 1.460 834 G CA -0.466 44.852 45.100 0.363 0.000 0.791 834 G HN 0.865 nan 8.290 nan 0.000 0.505 835 M N -0.569 119.292 119.600 0.436 0.000 2.520 835 M HA 0.887 5.366 4.480 -0.001 0.000 0.280 835 M C -1.714 174.823 176.300 0.396 0.000 1.232 835 M CA -1.023 54.493 55.300 0.360 0.000 0.892 835 M CB 2.529 35.252 32.600 0.204 0.000 1.728 835 M HN 1.113 nan 8.290 nan 0.000 0.475 836 F N 0.902 120.998 119.950 0.243 0.000 2.668 836 F HA 0.909 5.435 4.527 -0.001 0.000 0.309 836 F C -1.724 174.210 175.800 0.224 0.000 1.117 836 F CA -1.195 56.889 58.000 0.140 0.000 0.951 836 F CB 1.172 40.166 39.000 -0.010 0.000 1.323 836 F HN 0.774 nan 8.300 nan 0.000 0.451 837 I N -0.106 120.698 120.570 0.390 0.000 2.785 837 I HA 0.878 5.048 4.170 -0.001 0.000 0.302 837 I C -1.388 174.912 176.117 0.305 0.000 1.069 837 I CA -0.882 60.612 61.300 0.323 0.000 1.045 837 I CB 2.391 40.498 38.000 0.178 0.000 1.236 837 I HN 0.946 nan 8.210 nan 0.000 0.429 838 E N 2.120 122.485 120.200 0.274 0.000 2.412 838 E HA 0.529 4.878 4.350 -0.001 0.000 0.279 838 E C -2.030 174.653 176.600 0.138 0.000 0.984 838 E CA -0.838 55.666 56.400 0.173 0.000 0.788 838 E CB 2.250 32.041 29.700 0.152 0.000 1.277 838 E HN 0.737 nan 8.360 nan 0.000 0.455 839 D N 0.784 121.235 120.400 0.085 0.000 2.726 839 D HA 0.450 5.090 4.640 -0.001 0.000 0.241 839 D C 0.989 177.318 176.300 0.048 0.000 1.150 839 D CA -0.155 53.888 54.000 0.071 0.000 1.089 839 D CB -0.070 40.765 40.800 0.058 0.000 1.260 839 D HN 0.448 nan 8.370 nan 0.000 0.637 840 A N -0.716 122.126 122.820 0.037 0.000 1.978 840 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 840 A C 1.554 179.143 177.584 0.008 0.000 1.170 840 A CA 1.645 53.696 52.037 0.023 0.000 0.636 840 A CB -0.730 18.282 19.000 0.020 0.000 0.810 840 A HN 0.519 nan 8.150 nan 0.000 0.448 841 N N -1.866 116.838 118.700 0.007 0.000 2.460 841 N HA 0.074 4.813 4.740 -0.001 0.000 0.193 841 N C -0.416 175.083 175.510 -0.017 0.000 1.080 841 N CA 0.801 53.847 53.050 -0.007 0.000 0.869 841 N CB 0.631 39.116 38.487 -0.003 0.000 1.201 841 N HN 0.311 nan 8.380 nan 0.000 0.457 842 T N 0.568 115.116 114.554 -0.009 0.000 2.893 842 T HA 0.450 4.800 4.350 -0.001 0.000 0.293 842 T C -0.619 174.072 174.700 -0.014 0.000 1.027 842 T CA -0.655 61.433 62.100 -0.020 0.000 0.988 842 T CB 2.880 71.740 68.868 -0.012 0.000 1.043 842 T HN -0.039 nan 8.240 nan 0.000 0.461 843 R N 1.895 122.370 120.500 -0.042 0.000 2.686 843 R HA 0.747 5.087 4.340 -0.001 0.000 0.286 843 R C -1.943 174.334 176.300 -0.038 0.000 0.969 843 R CA -0.919 55.157 56.100 -0.039 0.000 0.898 843 R CB 1.295 31.508 30.300 -0.146 0.000 1.183 843 R HN 0.454 nan 8.270 nan 0.000 0.456 844 L N 2.581 123.811 121.223 0.012 0.000 2.349 844 L HA 0.493 4.833 4.340 -0.001 0.000 0.278 844 L C -1.350 175.558 176.870 0.064 0.000 0.996 844 L CA 0.078 54.918 54.840 0.000 0.000 0.825 844 L CB 2.254 44.300 42.059 -0.022 0.000 1.243 844 L HN 0.643 nan 8.230 nan 0.000 0.412 845 T N 5.686 120.259 114.554 0.030 0.000 2.807 845 T HA 0.558 4.908 4.350 -0.001 0.000 0.279 845 T C -0.991 173.773 174.700 0.107 0.000 0.993 845 T CA -0.273 61.885 62.100 0.097 0.000 0.970 845 T CB 1.391 70.246 68.868 -0.023 0.000 0.950 845 T HN 0.454 nan 8.240 nan 0.000 0.441 846 L N 5.176 126.498 121.223 0.165 0.000 2.298 846 L HA 0.525 4.864 4.340 -0.001 0.000 0.284 846 L C -1.252 175.765 176.870 0.244 0.000 1.013 846 L CA -0.706 54.242 54.840 0.180 0.000 0.824 846 L CB 0.494 42.639 42.059 0.143 0.000 1.221 846 L HN 0.414 nan 8.230 nan 0.000 0.418 847 L N 3.879 125.248 121.223 0.244 0.000 2.325 847 L HA 0.631 4.971 4.340 -0.001 0.000 0.279 847 L C 0.550 177.572 176.870 0.254 0.000 1.054 847 L CA -0.255 54.729 54.840 0.239 0.000 0.804 847 L CB 1.376 43.544 42.059 0.182 0.000 1.200 847 L HN 0.757 nan 8.230 nan 0.000 0.436 848 T N -2.309 112.349 114.554 0.173 0.000 2.908 848 T HA 0.613 4.962 4.350 -0.001 0.000 0.290 848 T C 0.697 175.368 174.700 -0.048 0.000 1.034 848 T CA -0.284 61.836 62.100 0.033 0.000 1.010 848 T CB 1.941 70.832 68.868 0.038 0.000 1.068 848 T HN 0.679 nan 8.240 nan 0.000 0.481 849 G N 1.203 109.901 108.800 -0.170 0.000 3.284 849 G HA2 0.410 4.370 3.960 -0.001 0.000 0.236 849 G HA3 0.410 4.370 3.960 -0.001 0.000 0.236 849 G C 0.176 175.019 174.900 -0.096 0.000 1.158 849 G CA -0.297 44.736 45.100 -0.111 0.000 0.774 849 G HN 0.964 nan 8.290 nan 0.000 0.545 850 Q N -0.194 119.542 119.800 -0.106 0.000 2.479 850 Q HA 0.300 4.640 4.340 -0.001 0.000 0.276 850 Q C -3.538 172.425 176.000 -0.062 0.000 0.989 850 Q CA -2.264 53.498 55.803 -0.069 0.000 0.864 850 Q CB 1.825 30.533 28.738 -0.050 0.000 1.444 850 Q HN -0.009 nan 8.270 nan 0.000 0.388 851 P HA 0.460 nan 4.420 nan 0.000 0.281 851 P C -0.688 176.597 177.300 -0.027 0.000 1.252 851 P CA -0.141 62.939 63.100 -0.033 0.000 0.778 851 P CB 0.968 32.654 31.700 -0.024 0.000 0.895 852 L N 1.578 122.781 121.223 -0.032 0.000 2.491 852 L HA 0.671 5.011 4.340 -0.001 0.000 0.254 852 L C 0.721 177.608 176.870 0.030 0.000 1.048 852 L CA -1.149 53.695 54.840 0.008 0.000 0.855 852 L CB 2.079 44.129 42.059 -0.015 0.000 1.466 852 L HN 0.340 nan 8.230 nan 0.000 0.409 853 G N -0.936 107.939 108.800 0.126 0.000 2.400 853 G HA2 0.674 4.634 3.960 -0.001 0.000 0.301 853 G HA3 0.674 4.634 3.960 -0.001 0.000 0.301 853 G C -0.496 174.439 174.900 0.058 0.000 1.154 853 G CA 0.103 45.336 45.100 0.221 0.000 0.852 853 G HN 0.867 nan 8.290 nan 0.000 0.511 854 G N -1.385 107.264 108.800 -0.252 0.000 2.600 854 G HA2 0.683 4.643 3.960 -0.001 0.000 0.293 854 G HA3 0.683 4.643 3.960 -0.001 0.000 0.293 854 G C -1.196 173.242 174.900 -0.771 0.000 1.408 854 G CA 0.385 45.130 45.100 -0.592 0.000 0.782 854 G HN 1.254 nan 8.290 nan 0.000 0.482 855 S N -1.894 113.418 115.700 -0.645 0.000 2.661 855 S HA 0.720 5.190 4.470 -0.001 0.000 0.268 855 S C -1.551 172.590 174.600 -0.765 0.000 1.162 855 S CA 0.289 58.112 58.200 -0.628 0.000 0.817 855 S CB 1.336 64.237 63.200 -0.497 0.000 1.141 855 S HN 1.504 nan 8.310 nan 0.000 0.477 856 S N 1.656 116.609 115.700 -1.245 0.000 2.718 856 S HA 0.487 4.956 4.470 -0.001 0.000 0.294 856 S C 0.145 174.491 174.600 -0.424 0.000 1.157 856 S CA -0.631 57.113 58.200 -0.761 0.000 1.121 856 S CB -0.025 62.678 63.200 -0.829 0.000 1.015 856 S HN 0.577 nan 8.310 nan 0.000 0.479 857 L N 3.165 124.280 121.223 -0.180 0.000 2.591 857 L HA 0.493 4.833 4.340 -0.001 0.000 0.228 857 L C 0.836 177.699 176.870 -0.012 0.000 1.133 857 L CA 0.240 55.055 54.840 -0.041 0.000 0.880 857 L CB 0.019 42.112 42.059 0.057 0.000 1.033 857 L HN 0.696 nan 8.230 nan 0.000 0.450 858 A N -1.230 121.571 122.820 -0.032 0.000 2.604 858 A HA 0.448 4.767 4.320 -0.001 0.000 0.295 858 A C -0.446 177.138 177.584 -0.001 0.000 1.067 858 A CA -0.447 51.590 52.037 -0.001 0.000 0.683 858 A CB 1.199 20.205 19.000 0.011 0.000 1.281 858 A HN -0.141 nan 8.150 nan 0.000 0.407 859 S N -0.031 115.682 115.700 0.022 0.000 2.558 859 S HA 0.395 4.864 4.470 -0.001 0.000 0.293 859 S C 1.543 176.165 174.600 0.037 0.000 1.292 859 S CA 1.925 60.146 58.200 0.036 0.000 1.063 859 S CB -0.056 63.168 63.200 0.040 0.000 0.831 859 S HN 2.662 nan 8.310 nan 0.000 0.499 860 G N 3.382 112.207 108.800 0.042 0.000 2.179 860 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.260 860 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.260 860 G C -0.148 174.753 174.900 0.001 0.000 0.977 860 G CA 0.505 45.629 45.100 0.040 0.000 0.641 860 G HN 0.721 nan 8.290 nan 0.000 0.533 861 E N -0.484 119.701 120.200 -0.024 0.000 2.212 861 E HA 0.760 5.110 4.350 -0.001 0.000 0.270 861 E C -0.152 176.387 176.600 -0.102 0.000 0.956 861 E CA -0.718 55.645 56.400 -0.062 0.000 0.825 861 E CB 1.728 31.392 29.700 -0.060 0.000 1.167 861 E HN 0.249 nan 8.360 nan 0.000 0.400 862 L N 1.715 122.871 121.223 -0.111 0.000 2.388 862 L HA 0.480 4.819 4.340 -0.001 0.000 0.264 862 L C -0.547 176.252 176.870 -0.119 0.000 0.998 862 L CA -0.639 54.124 54.840 -0.127 0.000 0.817 862 L CB 2.005 44.019 42.059 -0.075 0.000 1.338 862 L HN 0.663 nan 8.230 nan 0.000 0.414 863 E N 2.819 122.939 120.200 -0.133 0.000 2.390 863 E HA 0.714 5.064 4.350 -0.001 0.000 0.277 863 E C -1.564 174.988 176.600 -0.080 0.000 0.939 863 E CA -0.846 55.508 56.400 -0.077 0.000 0.769 863 E CB 3.366 33.066 29.700 -0.000 0.000 1.251 863 E HN 0.536 nan 8.360 nan 0.000 0.450 864 I N 2.121 122.684 120.570 -0.012 0.000 2.610 864 I HA 0.309 4.478 4.170 -0.001 0.000 0.289 864 I C -1.439 174.745 176.117 0.111 0.000 1.163 864 I CA -1.099 60.217 61.300 0.026 0.000 1.044 864 I CB 1.963 39.980 38.000 0.029 0.000 1.251 864 I HN 0.780 nan 8.210 nan 0.000 0.424 865 M N 6.276 125.979 119.600 0.172 0.000 2.228 865 M HA 0.216 4.696 4.480 -0.001 0.000 0.351 865 M C 0.586 176.985 176.300 0.165 0.000 1.233 865 M CA 0.629 56.037 55.300 0.179 0.000 1.129 865 M CB 0.910 33.588 32.600 0.130 0.000 1.604 865 M HN 0.572 nan 8.290 nan 0.000 0.457 866 Q N 1.423 121.353 119.800 0.217 0.000 2.287 866 Q HA 0.254 4.594 4.340 -0.001 0.000 0.201 866 Q C -0.239 175.965 176.000 0.340 0.000 0.946 866 Q CA 0.832 56.829 55.803 0.323 0.000 0.868 866 Q CB 0.371 29.330 28.738 0.368 0.000 0.967 866 Q HN 0.763 nan 8.270 nan 0.000 0.516 867 D N -0.898 119.634 120.400 0.220 0.000 2.671 867 D HA 0.302 4.941 4.640 -0.001 0.000 0.273 867 D C -1.419 174.949 176.300 0.113 0.000 1.264 867 D CA -0.497 53.608 54.000 0.175 0.000 0.788 867 D CB 1.473 42.366 40.800 0.155 0.000 1.324 867 D HN 0.038 nan 8.370 nan 0.000 0.424 868 R N 0.764 121.319 120.500 0.092 0.000 2.584 868 R HA 0.677 5.016 4.340 -0.001 0.000 0.276 868 R C -1.046 175.294 176.300 0.067 0.000 1.046 868 R CA -1.049 55.089 56.100 0.064 0.000 0.906 868 R CB 2.098 32.408 30.300 0.017 0.000 1.215 868 R HN 0.313 nan 8.270 nan 0.000 0.449 869 R N 3.687 124.224 120.500 0.062 0.000 2.451 869 R HA 0.483 4.822 4.340 -0.001 0.000 0.307 869 R C -1.486 174.845 176.300 0.052 0.000 0.965 869 R CA -0.576 55.557 56.100 0.055 0.000 0.865 869 R CB 1.265 31.593 30.300 0.047 0.000 1.174 869 R HN 0.709 nan 8.270 nan 0.000 0.455 870 L N 3.853 125.105 121.223 0.048 0.000 2.409 870 L HA 0.528 4.868 4.340 -0.001 0.000 0.272 870 L C 0.674 177.567 176.870 0.038 0.000 0.980 870 L CA -0.529 54.338 54.840 0.045 0.000 0.826 870 L CB 2.181 44.268 42.059 0.046 0.000 1.268 870 L HN 0.797 nan 8.230 nan 0.000 0.407 871 A N 1.469 124.309 122.820 0.034 0.000 2.021 871 A HA 0.160 4.480 4.320 -0.001 0.000 0.216 871 A C 0.952 178.552 177.584 0.027 0.000 1.163 871 A CA 0.647 52.701 52.037 0.028 0.000 0.676 871 A CB 0.031 19.046 19.000 0.025 0.000 0.818 871 A HN 0.604 nan 8.150 nan 0.000 0.453 872 S N 0.077 115.794 115.700 0.027 0.000 2.608 872 S HA 0.400 4.869 4.470 -0.001 0.000 0.291 872 S C -0.623 173.995 174.600 0.030 0.000 1.146 872 S CA -0.638 57.576 58.200 0.024 0.000 1.043 872 S CB 1.433 64.643 63.200 0.017 0.000 1.037 872 S HN 0.484 nan 8.310 nan 0.000 0.520 873 D N 0.610 121.029 120.400 0.031 0.000 2.345 873 D HA 0.174 4.814 4.640 -0.001 0.000 0.247 873 D C -0.086 176.233 176.300 0.031 0.000 1.108 873 D CA -0.302 53.724 54.000 0.044 0.000 0.894 873 D CB 0.648 41.473 40.800 0.042 0.000 1.203 873 D HN 0.500 nan 8.370 nan 0.000 0.430 874 D N 2.159 122.585 120.400 0.043 0.000 2.525 874 D HA 0.069 4.708 4.640 -0.001 0.000 0.229 874 D C -0.373 175.892 176.300 -0.059 0.000 1.202 874 D CA -0.308 53.685 54.000 -0.011 0.000 0.828 874 D CB -0.450 40.336 40.800 -0.023 0.000 1.008 874 D HN 0.684 nan 8.370 nan 0.000 0.493 875 E N -0.253 119.936 120.200 -0.019 0.000 2.868 875 E HA -0.208 4.141 4.350 -0.001 0.000 0.278 875 E C 0.095 176.657 176.600 -0.064 0.000 1.009 875 E CA 0.212 56.595 56.400 -0.028 0.000 0.856 875 E CB -0.771 28.909 29.700 -0.035 0.000 1.428 875 E HN 0.216 nan 8.360 nan 0.000 0.423 876 R N -0.500 119.934 120.500 -0.111 0.000 2.613 876 R HA 0.240 4.580 4.340 -0.001 0.000 0.361 876 R C 1.278 177.646 176.300 0.113 0.000 1.072 876 R CA 0.559 56.521 56.100 -0.230 0.000 1.089 876 R CB 0.857 30.564 30.300 -0.989 0.000 1.343 876 R HN 0.400 nan 8.270 nan 0.000 0.571 877 G N 0.866 109.806 108.800 0.233 0.000 2.194 877 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.236 877 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.236 877 G C 0.766 175.771 174.900 0.176 0.000 0.987 877 G CA 0.305 45.615 45.100 0.350 0.000 0.635 877 G HN 0.330 nan 8.290 nan 0.000 0.520 878 L N 1.346 122.770 121.223 0.336 0.000 2.093 878 L HA 0.446 4.786 4.340 -0.001 0.000 0.208 878 L C 2.201 179.063 176.870 -0.014 0.000 1.085 878 L CA 2.673 57.604 54.840 0.151 0.000 0.755 878 L CB -0.630 41.676 42.059 0.412 0.000 0.904 878 L HN 1.713 nan 8.230 nan 0.000 0.435 879 G N -0.280 108.544 108.800 0.040 0.000 2.198 879 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.260 879 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.260 879 G C 0.042 174.949 174.900 0.013 0.000 1.025 879 G CA 0.656 45.760 45.100 0.007 0.000 0.769 879 G HN 0.803 nan 8.290 nan 0.000 0.507 880 Q N -2.114 117.709 119.800 0.038 0.000 2.633 880 Q HA 0.666 5.006 4.340 -0.001 0.000 0.289 880 Q C 0.401 176.431 176.000 0.049 0.000 0.940 880 Q CA -0.645 55.180 55.803 0.036 0.000 0.785 880 Q CB 0.402 29.158 28.738 0.031 0.000 1.467 880 Q HN 0.972 nan 8.270 nan 0.000 0.401 881 G N 0.058 108.883 108.800 0.041 0.000 2.494 881 G HA2 0.479 4.439 3.960 -0.001 0.000 0.270 881 G HA3 0.479 4.439 3.960 -0.001 0.000 0.270 881 G C -0.880 174.048 174.900 0.046 0.000 1.423 881 G CA -0.610 44.515 45.100 0.043 0.000 1.055 881 G HN 0.397 nan 8.290 nan 0.000 0.536 882 V N 0.830 120.772 119.914 0.046 0.000 2.284 882 V HA 0.333 4.452 4.120 -0.001 0.000 0.274 882 V C 0.155 176.281 176.094 0.053 0.000 1.023 882 V CA -0.142 62.192 62.300 0.055 0.000 0.808 882 V CB 0.863 32.721 31.823 0.059 0.000 1.035 882 V HN 0.546 nan 8.190 nan 0.000 0.445 883 L N 3.264 124.517 121.223 0.050 0.000 3.229 883 L HA 0.314 4.654 4.340 -0.001 0.000 0.286 883 L C 0.662 177.556 176.870 0.040 0.000 1.239 883 L CA 0.033 54.897 54.840 0.040 0.000 1.035 883 L CB 0.708 42.785 42.059 0.031 0.000 1.408 883 L HN 0.664 nan 8.230 nan 0.000 0.593 884 D N -2.022 118.410 120.400 0.054 0.000 2.525 884 D HA 0.050 4.690 4.640 -0.001 0.000 0.229 884 D C 0.140 176.476 176.300 0.061 0.000 1.202 884 D CA -0.451 53.582 54.000 0.055 0.000 0.828 884 D CB -0.413 40.428 40.800 0.068 0.000 1.008 884 D HN 0.079 nan 8.370 nan 0.000 0.493 885 N N 1.684 120.417 118.700 0.056 0.000 2.345 885 N HA 0.087 4.827 4.740 -0.001 0.000 0.243 885 N C 0.182 175.697 175.510 0.008 0.000 1.246 885 N CA 0.395 53.477 53.050 0.054 0.000 0.863 885 N CB 0.622 39.137 38.487 0.047 0.000 1.096 885 N HN 0.327 nan 8.380 nan 0.000 0.446 886 K N -0.353 120.040 120.400 -0.012 0.000 2.512 886 K HA 0.559 4.878 4.320 -0.001 0.000 0.263 886 K C -3.232 173.338 176.600 -0.051 0.000 0.966 886 K CA -2.052 54.184 56.287 -0.084 0.000 0.851 886 K CB 1.314 33.680 32.500 -0.224 0.000 1.395 886 K HN 0.123 nan 8.250 nan 0.000 0.440 887 P HA -0.044 nan 4.420 nan 0.000 0.264 887 P C -1.012 176.305 177.300 0.029 0.000 1.183 887 P CA -0.391 62.688 63.100 -0.036 0.000 0.763 887 P CB 0.695 32.364 31.700 -0.051 0.000 0.807 888 V N 5.160 125.057 119.914 -0.027 0.000 2.760 888 V HA 0.453 4.573 4.120 -0.001 0.000 0.309 888 V C -1.281 174.687 176.094 -0.210 0.000 1.077 888 V CA -1.102 61.157 62.300 -0.068 0.000 0.910 888 V CB 2.124 33.878 31.823 -0.116 0.000 1.008 888 V HN 0.276 nan 8.190 nan 0.000 0.424 889 L N 7.077 128.206 121.223 -0.157 0.000 2.270 889 L HA 0.581 4.921 4.340 -0.001 0.000 0.286 889 L C -0.313 176.535 176.870 -0.037 0.000 1.059 889 L CA 0.146 54.928 54.840 -0.098 0.000 0.839 889 L CB 0.234 42.260 42.059 -0.056 0.000 1.221 889 L HN 0.692 nan 8.230 nan 0.000 0.431 890 H N 5.625 124.709 119.070 0.023 0.000 2.582 890 H HA 0.468 5.023 4.556 -0.001 0.000 0.345 890 H C -0.071 175.151 175.328 -0.176 0.000 1.104 890 H CA -0.194 55.808 56.048 -0.076 0.000 1.390 890 H CB 1.191 30.975 29.762 0.036 0.000 1.461 890 H HN 0.683 nan 8.280 nan 0.000 0.551 891 I N 0.247 120.644 120.570 -0.288 0.000 2.689 891 I HA 0.607 4.777 4.170 -0.001 0.000 0.299 891 I C -1.418 174.365 176.117 -0.558 0.000 1.059 891 I CA -0.945 60.206 61.300 -0.248 0.000 1.055 891 I CB 2.107 40.059 38.000 -0.080 0.000 1.243 891 I HN 0.243 nan 8.210 nan 0.000 0.425 892 Y N 2.591 122.942 120.300 0.085 0.000 2.625 892 Y HA 0.686 5.236 4.550 -0.001 0.000 0.338 892 Y C -0.598 175.357 175.900 0.092 0.000 1.123 892 Y CA -1.087 57.070 58.100 0.095 0.000 1.046 892 Y CB 1.601 40.136 38.460 0.126 0.000 1.299 892 Y HN 0.420 nan 8.280 nan 0.000 0.464 893 R N 1.392 122.053 120.500 0.268 0.000 2.670 893 R HA 0.619 4.958 4.340 -0.001 0.000 0.289 893 R C -1.895 174.520 176.300 0.190 0.000 0.965 893 R CA -1.161 55.053 56.100 0.189 0.000 0.899 893 R CB 2.591 32.963 30.300 0.120 0.000 1.173 893 R HN 0.649 nan 8.270 nan 0.000 0.456 894 L N 2.327 123.642 121.223 0.154 0.000 2.342 894 L HA 0.413 4.753 4.340 -0.001 0.000 0.276 894 L C -1.251 175.650 176.870 0.053 0.000 0.997 894 L CA -0.548 54.358 54.840 0.111 0.000 0.838 894 L CB 1.794 43.931 42.059 0.129 0.000 1.224 894 L HN 0.303 nan 8.230 nan 0.000 0.416 895 V N 6.238 126.167 119.914 0.025 0.000 2.326 895 V HA 0.383 4.503 4.120 -0.001 0.000 0.281 895 V C -0.274 175.797 176.094 -0.037 0.000 1.015 895 V CA -0.563 61.732 62.300 -0.007 0.000 0.823 895 V CB 1.351 33.163 31.823 -0.018 0.000 1.009 895 V HN 0.635 nan 8.190 nan 0.000 0.436 896 L N 5.648 126.845 121.223 -0.043 0.000 2.276 896 L HA 0.656 4.996 4.340 -0.001 0.000 0.286 896 L C -0.089 176.744 176.870 -0.060 0.000 1.061 896 L CA 0.708 55.514 54.840 -0.057 0.000 0.807 896 L CB 0.941 42.964 42.059 -0.061 0.000 1.177 896 L HN 0.729 nan 8.230 nan 0.000 0.429 897 E N 3.608 123.765 120.200 -0.072 0.000 2.383 897 E HA 0.442 4.792 4.350 -0.001 0.000 0.275 897 E C -1.264 175.292 176.600 -0.072 0.000 0.918 897 E CA -1.211 55.143 56.400 -0.076 0.000 0.764 897 E CB 1.438 31.077 29.700 -0.102 0.000 1.252 897 E HN 0.238 nan 8.360 nan 0.000 0.449 898 K N 1.334 121.695 120.400 -0.065 0.000 2.276 898 K HA 0.192 4.511 4.320 -0.001 0.000 0.283 898 K C 0.402 176.961 176.600 -0.069 0.000 1.044 898 K CA -0.189 56.063 56.287 -0.058 0.000 0.944 898 K CB 1.197 33.669 32.500 -0.047 0.000 1.012 898 K HN 0.493 nan 8.250 nan 0.000 0.472 899 V N -0.506 119.368 119.914 -0.066 0.000 3.346 899 V HA 0.025 4.145 4.120 -0.001 0.000 0.309 899 V C 1.170 177.231 176.094 -0.055 0.000 1.457 899 V CA -0.284 61.970 62.300 -0.077 0.000 1.069 899 V CB -0.269 31.492 31.823 -0.103 0.000 0.944 899 V HN 0.618 nan 8.190 nan 0.000 0.449 900 N N 1.550 120.226 118.700 -0.040 0.000 2.289 900 N HA -0.191 4.549 4.740 -0.001 0.000 0.184 900 N C 1.039 176.531 175.510 -0.031 0.000 1.016 900 N CA 1.743 54.776 53.050 -0.028 0.000 0.872 900 N CB -0.531 37.943 38.487 -0.021 0.000 0.973 900 N HN 0.551 nan 8.380 nan 0.000 0.433 901 N N -0.005 118.671 118.700 -0.039 0.000 2.336 901 N HA 0.070 4.810 4.740 -0.001 0.000 0.189 901 N C -0.266 175.215 175.510 -0.048 0.000 1.113 901 N CA -0.085 52.941 53.050 -0.039 0.000 0.858 901 N CB 0.123 38.587 38.487 -0.039 0.000 0.970 901 N HN 0.216 nan 8.380 nan 0.000 0.471 902 c N 1.313 119.879 118.600 -0.057 0.000 2.536 902 c HA 0.284 4.853 4.570 -0.001 0.000 0.396 902 c C 1.026 175.080 174.090 -0.060 0.000 1.279 902 c CA -0.944 55.342 56.329 -0.070 0.000 2.148 902 c CB 0.907 43.361 42.510 -0.093 0.000 2.584 902 c HN 0.006 nan 8.230 nan 0.000 0.579 903 V N 5.507 125.382 119.914 -0.066 0.000 2.387 903 V HA 0.218 4.337 4.120 -0.001 0.000 0.260 903 V C 0.620 176.677 176.094 -0.061 0.000 1.054 903 V CA 0.376 62.642 62.300 -0.058 0.000 0.967 903 V CB -0.596 31.188 31.823 -0.064 0.000 1.036 903 V HN 0.796 nan 8.190 nan 0.000 0.481 904 R N 4.586 125.062 120.500 -0.040 0.000 2.758 904 R HA 0.553 4.892 4.340 -0.001 0.000 0.265 904 R C -2.465 173.827 176.300 -0.012 0.000 1.016 904 R CA -1.885 54.199 56.100 -0.026 0.000 1.040 904 R CB 1.153 31.442 30.300 -0.019 0.000 1.152 904 R HN 0.402 nan 8.270 nan 0.000 0.503 905 P HA -0.038 nan 4.420 nan 0.000 0.270 905 P C -0.365 176.972 177.300 0.062 0.000 1.223 905 P CA -0.204 62.879 63.100 -0.027 0.000 0.785 905 P CB 0.574 32.180 31.700 -0.157 0.000 0.923 906 S N 1.139 116.903 115.700 0.106 0.000 2.587 906 S HA 0.048 4.517 4.470 -0.001 0.000 0.260 906 S C 1.083 175.763 174.600 0.133 0.000 1.353 906 S CA -0.106 58.161 58.200 0.111 0.000 0.995 906 S CB 0.253 63.521 63.200 0.113 0.000 0.912 906 S HN 0.325 nan 8.310 nan 0.000 0.568 907 K N 0.350 120.811 120.400 0.101 0.000 2.280 907 K HA 0.021 4.340 4.320 -0.001 0.000 0.202 907 K C 1.475 178.131 176.600 0.094 0.000 1.047 907 K CA 1.139 57.483 56.287 0.095 0.000 0.942 907 K CB -0.535 32.005 32.500 0.067 0.000 0.739 907 K HN 0.559 nan 8.250 nan 0.000 0.457 908 L N -0.142 121.140 121.223 0.099 0.000 2.567 908 L HA 0.046 4.386 4.340 -0.001 0.000 0.225 908 L C 1.067 177.991 176.870 0.091 0.000 1.119 908 L CA -0.211 54.672 54.840 0.072 0.000 0.871 908 L CB -0.148 41.939 42.059 0.046 0.000 1.036 908 L HN 0.221 nan 8.230 nan 0.000 0.459 909 H N 2.502 121.610 119.070 0.064 0.000 2.803 909 H HA 0.084 4.640 4.556 -0.001 0.000 0.330 909 H C -1.723 173.647 175.328 0.070 0.000 1.057 909 H CA -1.357 54.741 56.048 0.084 0.000 1.458 909 H CB 1.768 31.607 29.762 0.128 0.000 1.470 909 H HN -0.079 nan 8.280 nan 0.000 0.560 910 P HA 0.127 nan 4.420 nan 0.000 0.245 910 P C -0.384 177.021 177.300 0.174 0.000 1.212 910 P CA 0.204 63.339 63.100 0.058 0.000 0.774 910 P CB 0.459 32.121 31.700 -0.063 0.000 0.999 911 A N -0.328 122.765 122.820 0.454 0.000 2.299 911 A HA 0.751 5.071 4.320 -0.001 0.000 0.332 911 A C 0.326 177.974 177.584 0.106 0.000 1.131 911 A CA -0.287 51.888 52.037 0.229 0.000 0.844 911 A CB 0.988 20.100 19.000 0.187 0.000 1.251 911 A HN 0.169 nan 8.150 nan 0.000 0.486 912 G N -1.430 107.306 108.800 -0.106 0.000 2.658 912 G HA2 0.637 4.597 3.960 -0.001 0.000 0.292 912 G HA3 0.637 4.597 3.960 -0.001 0.000 0.292 912 G C -1.851 172.677 174.900 -0.621 0.000 1.320 912 G CA -0.421 44.514 45.100 -0.276 0.000 0.933 912 G HN 0.532 nan 8.290 nan 0.000 0.476 913 Y N -0.857 119.405 120.300 -0.064 0.000 2.504 913 Y HA 0.473 5.023 4.550 -0.001 0.000 0.344 913 Y C 0.364 176.022 175.900 -0.403 0.000 1.023 913 Y CA -0.856 57.138 58.100 -0.176 0.000 1.020 913 Y CB 1.970 40.321 38.460 -0.182 0.000 1.282 913 Y HN 0.354 nan 8.280 nan 0.000 0.454 914 L N 2.234 123.293 121.223 -0.274 0.000 2.464 914 L HA 0.325 4.665 4.340 -0.001 0.000 0.264 914 L C 0.789 177.507 176.870 -0.253 0.000 1.199 914 L CA -0.460 54.142 54.840 -0.396 0.000 0.818 914 L CB 0.659 42.563 42.059 -0.258 0.000 1.102 914 L HN 0.796 nan 8.230 nan 0.000 0.473 915 T N -2.094 112.301 114.554 -0.265 0.000 2.816 915 T HA 0.125 4.475 4.350 -0.001 0.000 0.282 915 T C 1.185 175.835 174.700 -0.083 0.000 0.993 915 T CA -0.583 61.415 62.100 -0.170 0.000 0.994 915 T CB 1.309 70.073 68.868 -0.172 0.000 1.025 915 T HN 0.559 nan 8.240 nan 0.000 0.529 916 S N 0.975 116.639 115.700 -0.060 0.000 2.365 916 S HA -0.164 4.305 4.470 -0.001 0.000 0.225 916 S C 2.477 177.090 174.600 0.022 0.000 1.039 916 S CA 1.427 59.626 58.200 -0.003 0.000 1.033 916 S CB -1.096 62.087 63.200 -0.027 0.000 0.887 916 S HN 0.907 nan 8.310 nan 0.000 0.447 917 A N 1.288 124.097 122.820 -0.019 0.000 1.902 917 A HA 0.134 4.454 4.320 -0.001 0.000 0.217 917 A C 2.346 179.927 177.584 -0.004 0.000 1.181 917 A CA 1.728 53.757 52.037 -0.013 0.000 0.623 917 A CB -1.016 17.966 19.000 -0.030 0.000 0.818 917 A HN 0.533 nan 8.150 nan 0.000 0.443 918 A N -1.356 121.448 122.820 -0.026 0.000 1.898 918 A HA -0.173 4.147 4.320 -0.001 0.000 0.216 918 A C 2.119 179.735 177.584 0.054 0.000 1.181 918 A CA 1.605 53.631 52.037 -0.019 0.000 0.620 918 A CB -0.938 17.994 19.000 -0.114 0.000 0.819 918 A HN 0.775 nan 8.150 nan 0.000 0.442 919 H N 0.050 119.109 119.070 -0.018 0.000 2.321 919 H HA -0.072 4.484 4.556 -0.001 0.000 0.300 919 H C 1.859 177.227 175.328 0.066 0.000 1.087 919 H CA 1.881 57.955 56.048 0.043 0.000 1.319 919 H CB -0.039 29.742 29.762 0.031 0.000 1.379 919 H HN 0.441 nan 8.280 nan 0.000 0.501 920 K N 0.207 120.572 120.400 -0.057 0.000 2.097 920 K HA -0.078 4.242 4.320 -0.001 0.000 0.206 920 K C 2.407 178.977 176.600 -0.050 0.000 1.049 920 K CA 0.855 57.091 56.287 -0.086 0.000 0.933 920 K CB -0.046 32.450 32.500 -0.006 0.000 0.717 920 K HN 0.270 nan 8.250 nan 0.000 0.442 921 A N 0.908 123.722 122.820 -0.010 0.000 1.902 921 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 921 A C 2.217 179.811 177.584 0.017 0.000 1.181 921 A CA 2.095 54.141 52.037 0.015 0.000 0.623 921 A CB -0.703 18.319 19.000 0.036 0.000 0.818 921 A HN 0.288 nan 8.150 nan 0.000 0.443 922 S N -0.686 115.027 115.700 0.022 0.000 2.368 922 S HA -0.238 4.232 4.470 -0.001 0.000 0.225 922 S C 2.142 176.740 174.600 -0.004 0.000 1.030 922 S CA 1.718 59.948 58.200 0.051 0.000 0.999 922 S CB -0.422 62.855 63.200 0.128 0.000 0.844 922 S HN 0.676 nan 8.310 nan 0.000 0.459 923 Q N 0.656 120.407 119.800 -0.082 0.000 2.170 923 Q HA -0.100 4.240 4.340 -0.001 0.000 0.203 923 Q C 2.507 178.473 176.000 -0.056 0.000 0.976 923 Q CA 1.713 57.471 55.803 -0.075 0.000 0.858 923 Q CB -0.343 28.328 28.738 -0.111 0.000 0.907 923 Q HN 0.815 nan 8.270 nan 0.000 0.433 924 S N 0.294 115.969 115.700 -0.041 0.000 2.423 924 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 924 S C 1.858 176.422 174.600 -0.060 0.000 1.014 924 S CA 0.727 58.902 58.200 -0.042 0.000 0.965 924 S CB -0.245 62.945 63.200 -0.016 0.000 0.785 924 S HN 0.287 nan 8.310 nan 0.000 0.495 925 L N 0.015 121.212 121.223 -0.043 0.000 2.127 925 L HA 0.217 4.556 4.340 -0.001 0.000 0.203 925 L C 2.528 179.346 176.870 -0.087 0.000 1.080 925 L CA 0.762 55.571 54.840 -0.051 0.000 0.768 925 L CB -0.371 41.676 42.059 -0.020 0.000 0.924 925 L HN 0.282 nan 8.230 nan 0.000 0.444 926 L N -1.203 119.973 121.223 -0.079 0.000 2.249 926 L HA 0.034 4.373 4.340 -0.001 0.000 0.207 926 L C 0.187 176.950 176.870 -0.178 0.000 1.090 926 L CA 0.772 55.552 54.840 -0.099 0.000 0.802 926 L CB 0.119 42.147 42.059 -0.053 0.000 0.947 926 L HN 0.208 nan 8.230 nan 0.000 0.453 927 D N 0.336 120.614 120.400 -0.203 0.000 2.613 927 D HA 0.227 4.867 4.640 -0.001 0.000 0.312 927 D C -2.345 173.756 176.300 -0.332 0.000 1.202 927 D CA -0.962 52.850 54.000 -0.312 0.000 0.825 927 D CB 1.307 42.109 40.800 0.005 0.000 1.113 927 D HN 0.062 nan 8.370 nan 0.000 0.502 928 P HA 0.116 nan 4.420 nan 0.000 0.274 928 P C 0.618 177.805 177.300 -0.189 0.000 1.260 928 P CA -0.492 62.459 63.100 -0.247 0.000 0.793 928 P CB 1.515 33.080 31.700 -0.224 0.000 1.048 929 L N 0.715 121.878 121.223 -0.101 0.000 2.514 929 L HA 0.064 4.404 4.340 -0.001 0.000 0.280 929 L C 0.891 177.748 176.870 -0.022 0.000 1.223 929 L CA 0.487 55.307 54.840 -0.034 0.000 0.864 929 L CB -0.343 41.709 42.059 -0.013 0.000 1.118 929 L HN 0.282 nan 8.230 nan 0.000 0.494 930 D N 3.126 123.576 120.400 0.082 0.000 2.210 930 D HA 0.332 4.971 4.640 -0.001 0.000 0.249 930 D C -0.339 175.933 176.300 -0.047 0.000 1.062 930 D CA -0.293 53.693 54.000 -0.024 0.000 0.891 930 D CB 1.673 42.504 40.800 0.052 0.000 1.186 930 D HN 0.367 nan 8.370 nan 0.000 0.432 931 K N 1.442 121.685 120.400 -0.261 0.000 2.345 931 K HA 0.472 4.792 4.320 -0.001 0.000 0.255 931 K C -1.010 175.475 176.600 -0.192 0.000 0.934 931 K CA -0.652 55.614 56.287 -0.034 0.000 0.801 931 K CB 1.598 34.057 32.500 -0.068 0.000 1.137 931 K HN 0.229 nan 8.250 nan 0.000 0.424 932 F N 2.670 122.793 119.950 0.287 0.000 2.507 932 F HA 0.490 5.016 4.527 -0.001 0.000 0.325 932 F C -0.010 176.067 175.800 0.462 0.000 1.116 932 F CA -0.872 57.291 58.000 0.271 0.000 0.930 932 F CB 1.291 40.267 39.000 -0.040 0.000 1.146 932 F HN 0.197 nan 8.300 nan 0.000 0.447 933 I N 3.642 124.587 120.570 0.626 0.000 2.362 933 I HA 0.216 4.386 4.170 -0.001 0.000 0.289 933 I C -0.558 175.844 176.117 0.474 0.000 0.994 933 I CA -0.832 60.763 61.300 0.492 0.000 1.158 933 I CB 1.226 39.416 38.000 0.318 0.000 1.315 933 I HN 0.443 nan 8.210 nan 0.000 0.451 934 F N 5.842 125.958 119.950 0.276 0.000 2.578 934 F HA 0.196 4.723 4.527 -0.001 0.000 0.376 934 F C 1.207 176.927 175.800 -0.134 0.000 1.085 934 F CA 0.140 58.009 58.000 -0.218 0.000 1.260 934 F CB 1.169 40.061 39.000 -0.181 0.000 1.095 934 F HN 0.614 nan 8.300 nan 0.000 0.573 935 A N 4.578 126.849 122.820 -0.916 0.000 1.898 935 A HA 0.012 4.331 4.320 -0.001 0.000 0.214 935 A C 0.983 178.317 177.584 -0.418 0.000 1.183 935 A CA 0.678 52.391 52.037 -0.540 0.000 0.622 935 A CB -0.550 18.113 19.000 -0.562 0.000 0.824 935 A HN 0.801 nan 8.150 nan 0.000 0.444 936 E N -0.409 119.393 120.200 -0.663 0.000 2.385 936 E HA 0.147 4.497 4.350 -0.001 0.000 0.254 936 E C 0.318 177.021 176.600 0.172 0.000 1.228 936 E CA -0.503 55.808 56.400 -0.148 0.000 0.956 936 E CB 0.221 29.892 29.700 -0.049 0.000 1.116 936 E HN 0.243 nan 8.360 nan 0.000 0.507 937 N N 0.460 119.273 118.700 0.189 0.000 2.216 937 N HA -0.085 4.655 4.740 -0.001 0.000 0.183 937 N C -0.280 175.377 175.510 0.245 0.000 1.017 937 N CA 0.955 54.123 53.050 0.198 0.000 0.861 937 N CB 0.197 38.756 38.487 0.120 0.000 0.986 937 N HN 0.439 nan 8.380 nan 0.000 0.428 938 E N -0.737 119.631 120.200 0.280 0.000 2.256 938 E HA 0.112 4.462 4.350 -0.001 0.000 0.268 938 E C -1.533 175.162 176.600 0.159 0.000 0.877 938 E CA -0.701 55.790 56.400 0.151 0.000 0.757 938 E CB 1.219 30.971 29.700 0.087 0.000 1.183 938 E HN 0.006 nan 8.360 nan 0.000 0.418 939 W N 8.033 129.027 121.300 -0.510 0.000 2.295 939 W HA 0.397 5.056 4.660 -0.001 0.000 0.333 939 W C -1.247 175.086 176.519 -0.310 0.000 0.990 939 W CA -1.439 55.471 57.345 -0.725 0.000 1.453 939 W CB -0.127 28.395 29.460 -1.563 0.000 1.263 939 W HN 0.456 nan 8.180 nan 0.000 0.380 940 I N 6.178 126.861 120.570 0.189 0.000 2.533 940 I HA 0.216 4.386 4.170 -0.001 0.000 0.284 940 I C 1.492 177.621 176.117 0.020 0.000 1.109 940 I CA 1.086 62.422 61.300 0.060 0.000 1.412 940 I CB 0.393 38.451 38.000 0.096 0.000 1.396 940 I HN 0.783 nan 8.210 nan 0.000 0.543 941 G N 4.326 113.045 108.800 -0.134 0.000 2.143 941 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.249 941 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.249 941 G C 0.416 175.086 174.900 -0.384 0.000 0.981 941 G CA -0.084 44.917 45.100 -0.164 0.000 0.665 941 G HN 0.998 nan 8.290 nan 0.000 0.528 942 A N -0.420 121.912 122.820 -0.815 0.000 2.531 942 A HA 0.556 4.875 4.320 -0.001 0.000 0.236 942 A C 0.574 177.741 177.584 -0.694 0.000 1.062 942 A CA 0.873 52.062 52.037 -1.412 0.000 0.760 942 A CB 0.238 18.093 19.000 -1.909 0.000 0.995 942 A HN 0.647 nan 8.150 nan 0.000 0.501 943 Q N 0.658 120.122 119.800 -0.560 0.000 2.351 943 Q HA 0.524 4.864 4.340 -0.001 0.000 0.273 943 Q C 1.114 176.997 176.000 -0.196 0.000 1.077 943 Q CA -0.242 55.398 55.803 -0.271 0.000 0.843 943 Q CB 1.945 30.591 28.738 -0.154 0.000 1.367 943 Q HN 0.795 nan 8.270 nan 0.000 0.449 944 G N 0.140 108.860 108.800 -0.133 0.000 2.551 944 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.216 944 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.216 944 G C 0.200 175.065 174.900 -0.059 0.000 1.137 944 G CA 0.601 45.635 45.100 -0.111 0.000 0.798 944 G HN 0.435 nan 8.290 nan 0.000 0.536 945 Q N -1.463 118.321 119.800 -0.027 0.000 2.472 945 Q HA 0.519 4.859 4.340 -0.001 0.000 0.281 945 Q C -2.361 173.657 176.000 0.030 0.000 0.997 945 Q CA -0.918 54.883 55.803 -0.002 0.000 0.828 945 Q CB 2.248 30.971 28.738 -0.025 0.000 1.443 945 Q HN 0.062 nan 8.270 nan 0.000 0.390 946 F N 1.193 121.046 119.950 -0.162 0.000 2.556 946 F HA 0.645 5.172 4.527 -0.001 0.000 0.314 946 F C 0.532 176.079 175.800 -0.422 0.000 1.106 946 F CA 0.457 58.295 58.000 -0.270 0.000 0.911 946 F CB 2.063 40.912 39.000 -0.252 0.000 1.190 946 F HN 0.673 nan 8.300 nan 0.000 0.448 947 G N 3.062 110.878 108.800 -1.639 0.000 2.141 947 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.231 947 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.231 947 G C 1.025 175.257 174.900 -1.112 0.000 0.984 947 G CA 0.264 44.133 45.100 -2.052 0.000 0.660 947 G HN 1.555 nan 8.290 nan 0.000 0.525 948 G N 1.161 109.598 108.800 -0.605 0.000 2.470 948 G HA2 0.001 3.960 3.960 -0.001 0.000 0.220 948 G HA3 0.001 3.960 3.960 -0.001 0.000 0.220 948 G C 1.263 176.098 174.900 -0.109 0.000 1.121 948 G CA 1.766 46.740 45.100 -0.211 0.000 0.766 948 G HN 0.829 nan 8.290 nan 0.000 0.553 949 D N -0.617 119.639 120.400 -0.240 0.000 2.339 949 D HA 0.003 4.642 4.640 -0.001 0.000 0.217 949 D C 0.330 176.624 176.300 -0.010 0.000 1.050 949 D CA -0.418 53.530 54.000 -0.087 0.000 0.856 949 D CB -0.868 39.887 40.800 -0.075 0.000 0.922 949 D HN 0.460 nan 8.370 nan 0.000 0.518 950 H N 1.199 120.159 119.070 -0.183 0.000 2.764 950 H HA 0.225 4.781 4.556 -0.001 0.000 0.341 950 H C -1.980 173.313 175.328 -0.059 0.000 1.072 950 H CA -1.775 54.188 56.048 -0.141 0.000 1.444 950 H CB 0.584 30.211 29.762 -0.225 0.000 1.458 950 H HN -0.000 nan 8.280 nan 0.000 0.572 951 P HA -0.067 nan 4.420 nan 0.000 0.265 951 P C -0.544 176.815 177.300 0.099 0.000 1.193 951 P CA 0.137 63.293 63.100 0.094 0.000 0.765 951 P CB 0.703 32.436 31.700 0.056 0.000 0.823 952 S N 2.306 118.098 115.700 0.153 0.000 2.415 952 S HA 0.565 5.034 4.470 -0.001 0.000 0.313 952 S C 0.035 174.729 174.600 0.157 0.000 1.067 952 S CA -0.572 57.747 58.200 0.198 0.000 1.099 952 S CB -0.692 62.739 63.200 0.384 0.000 0.991 952 S HN 0.491 nan 8.310 nan 0.000 0.491 953 A N 4.798 127.704 122.820 0.144 0.000 2.332 953 A HA 0.532 4.852 4.320 -0.001 0.000 0.258 953 A C 0.481 178.116 177.584 0.085 0.000 1.087 953 A CA -0.787 51.308 52.037 0.097 0.000 0.802 953 A CB 0.199 19.257 19.000 0.097 0.000 1.042 953 A HN 0.967 nan 8.150 nan 0.000 0.489 954 R N 0.696 121.210 120.500 0.023 0.000 2.619 954 R HA -0.051 4.288 4.340 -0.001 0.000 0.268 954 R C 0.581 176.882 176.300 0.001 0.000 0.990 954 R CA 0.871 56.963 56.100 -0.013 0.000 1.092 954 R CB 0.061 30.334 30.300 -0.044 0.000 0.935 954 R HN 0.887 nan 8.270 nan 0.000 0.415 955 E N 1.569 121.736 120.200 -0.054 0.000 2.265 955 E HA -0.239 4.110 4.350 -0.001 0.000 0.196 955 E C 0.281 176.904 176.600 0.039 0.000 0.996 955 E CA 1.472 57.822 56.400 -0.084 0.000 0.832 955 E CB -0.122 29.509 29.700 -0.116 0.000 0.756 955 E HN 0.851 nan 8.360 nan 0.000 0.491 956 D N 0.631 121.016 120.400 -0.024 0.000 2.349 956 D HA -0.008 4.632 4.640 -0.001 0.000 0.224 956 D C 0.340 176.629 176.300 -0.018 0.000 1.029 956 D CA -0.092 53.853 54.000 -0.092 0.000 0.879 956 D CB -0.022 40.668 40.800 -0.183 0.000 0.906 956 D HN 0.174 nan 8.370 nan 0.000 0.528 957 L N 0.816 122.076 121.223 0.062 0.000 2.309 957 L HA 0.515 4.855 4.340 -0.001 0.000 0.282 957 L C -1.128 175.863 176.870 0.202 0.000 1.036 957 L CA -0.480 54.416 54.840 0.093 0.000 0.806 957 L CB 1.661 43.762 42.059 0.069 0.000 1.220 957 L HN -0.218 nan 8.230 nan 0.000 0.429 958 D N 2.433 122.976 120.400 0.237 0.000 2.575 958 D HA 0.364 5.004 4.640 -0.001 0.000 0.236 958 D C -1.265 175.194 176.300 0.265 0.000 1.075 958 D CA -0.277 53.889 54.000 0.276 0.000 0.860 958 D CB 2.399 43.410 40.800 0.352 0.000 1.475 958 D HN 0.238 nan 8.370 nan 0.000 0.474 959 V N 3.513 123.562 119.914 0.225 0.000 2.267 959 V HA 0.117 4.236 4.120 -0.001 0.000 0.254 959 V C 1.322 177.553 176.094 0.227 0.000 1.144 959 V CA -0.003 62.441 62.300 0.240 0.000 0.992 959 V CB 0.350 32.301 31.823 0.214 0.000 1.199 959 V HN 0.580 nan 8.190 nan 0.000 0.493 960 S N 3.028 118.891 115.700 0.271 0.000 2.382 960 S HA -0.021 4.448 4.470 -0.001 0.000 0.228 960 S C 0.685 175.344 174.600 0.098 0.000 1.027 960 S CA 0.900 59.215 58.200 0.193 0.000 0.991 960 S CB 0.158 63.529 63.200 0.286 0.000 0.823 960 S HN 0.503 nan 8.310 nan 0.000 0.469 961 V N 1.512 121.521 119.914 0.158 0.000 2.686 961 V HA 0.525 4.644 4.120 -0.001 0.000 0.306 961 V C -0.739 175.429 176.094 0.123 0.000 1.065 961 V CA -0.560 61.809 62.300 0.115 0.000 0.894 961 V CB 1.867 33.781 31.823 0.151 0.000 1.004 961 V HN 0.367 nan 8.190 nan 0.000 0.424 962 M N 5.532 125.126 119.600 -0.009 0.000 2.197 962 M HA 0.693 5.173 4.480 -0.001 0.000 0.301 962 M C -1.022 175.112 176.300 -0.277 0.000 0.987 962 M CA -0.497 54.667 55.300 -0.226 0.000 0.921 962 M CB 1.512 33.982 32.600 -0.217 0.000 1.569 962 M HN 0.750 nan 8.290 nan 0.000 0.431 963 R N 4.149 124.413 120.500 -0.394 0.000 2.510 963 R HA 0.416 4.755 4.340 -0.001 0.000 0.287 963 R C -1.404 174.665 176.300 -0.386 0.000 1.084 963 R CA -0.684 55.236 56.100 -0.302 0.000 0.934 963 R CB 1.786 31.986 30.300 -0.167 0.000 1.201 963 R HN 0.910 nan 8.270 nan 0.000 0.431 964 R N 4.438 124.767 120.500 -0.285 0.000 2.442 964 R HA 0.129 4.469 4.340 -0.001 0.000 0.291 964 R C 0.192 176.377 176.300 -0.192 0.000 1.069 964 R CA 0.100 56.060 56.100 -0.234 0.000 1.022 964 R CB 0.616 30.835 30.300 -0.135 0.000 0.976 964 R HN 0.705 nan 8.270 nan 0.000 0.443 965 L N 2.970 124.074 121.223 -0.199 0.000 2.616 965 L HA 0.145 4.485 4.340 -0.001 0.000 0.229 965 L C 0.307 177.121 176.870 -0.093 0.000 1.110 965 L CA 0.043 54.784 54.840 -0.165 0.000 0.884 965 L CB 0.479 42.405 42.059 -0.222 0.000 1.115 965 L HN 0.719 nan 8.230 nan 0.000 0.481 966 T N -2.675 111.837 114.554 -0.071 0.000 2.885 966 T HA 0.448 4.798 4.350 -0.001 0.000 0.285 966 T C -0.220 174.470 174.700 -0.016 0.000 1.019 966 T CA -0.911 61.166 62.100 -0.039 0.000 1.010 966 T CB 2.428 71.279 68.868 -0.028 0.000 1.022 966 T HN -0.086 nan 8.240 nan 0.000 0.466 967 K N 0.888 121.285 120.400 -0.005 0.000 2.117 967 K HA 0.327 4.646 4.320 -0.001 0.000 0.240 967 K C 1.634 178.248 176.600 0.022 0.000 1.031 967 K CA -0.263 56.033 56.287 0.015 0.000 0.909 967 K CB 0.527 33.035 32.500 0.014 0.000 1.097 967 K HN 0.801 nan 8.250 nan 0.000 0.492 968 S N -0.678 115.044 115.700 0.037 0.000 2.447 968 S HA -0.137 4.333 4.470 -0.001 0.000 0.233 968 S C 1.744 176.358 174.600 0.024 0.000 1.006 968 S CA 1.382 59.603 58.200 0.035 0.000 0.957 968 S CB -0.351 62.877 63.200 0.047 0.000 0.773 968 S HN 0.618 nan 8.310 nan 0.000 0.507 969 S N 1.595 117.308 115.700 0.021 0.000 2.522 969 S HA 0.405 4.874 4.470 -0.001 0.000 0.227 969 S C 0.861 175.467 174.600 0.010 0.000 0.986 969 S CA 0.099 58.309 58.200 0.016 0.000 0.929 969 S CB -0.628 62.581 63.200 0.016 0.000 0.769 969 S HN 0.774 nan 8.310 nan 0.000 0.529 970 A N 2.037 124.861 122.820 0.007 0.000 2.451 970 A HA 0.361 4.681 4.320 -0.001 0.000 0.266 970 A C 1.270 178.857 177.584 0.006 0.000 1.119 970 A CA -0.373 51.665 52.037 0.002 0.000 0.786 970 A CB 0.181 19.178 19.000 -0.004 0.000 1.061 970 A HN 0.460 nan 8.150 nan 0.000 0.503 971 K N 1.889 122.292 120.400 0.005 0.000 2.063 971 K HA -0.102 4.218 4.320 -0.001 0.000 0.208 971 K C 0.097 176.704 176.600 0.012 0.000 1.048 971 K CA 1.734 58.026 56.287 0.008 0.000 0.928 971 K CB -0.049 32.453 32.500 0.004 0.000 0.713 971 K HN 0.648 nan 8.250 nan 0.000 0.442 972 T N 2.549 117.107 114.554 0.006 0.000 2.781 972 T HA 0.179 4.529 4.350 -0.001 0.000 0.305 972 T C -0.828 173.883 174.700 0.018 0.000 1.001 972 T CA -0.676 61.431 62.100 0.010 0.000 0.950 972 T CB 1.408 70.271 68.868 -0.007 0.000 0.955 972 T HN 0.095 nan 8.240 nan 0.000 0.471 973 Q N 2.796 122.625 119.800 0.049 0.000 2.340 973 Q HA 0.374 4.714 4.340 -0.001 0.000 0.249 973 Q C 0.101 176.153 176.000 0.087 0.000 0.957 973 Q CA 0.132 55.968 55.803 0.055 0.000 0.882 973 Q CB 1.258 30.029 28.738 0.056 0.000 1.235 973 Q HN 0.546 nan 8.270 nan 0.000 0.439 974 R N 0.439 120.956 120.500 0.028 0.000 2.575 974 R HA 0.642 4.982 4.340 -0.001 0.000 0.293 974 R C -1.089 175.164 176.300 -0.079 0.000 0.983 974 R CA -0.647 55.454 56.100 0.002 0.000 0.887 974 R CB 1.847 32.113 30.300 -0.056 0.000 1.184 974 R HN 0.259 nan 8.270 nan 0.000 0.445 975 V N 1.499 121.364 119.914 -0.082 0.000 2.588 975 V HA 0.610 4.729 4.120 -0.001 0.000 0.304 975 V C 0.198 176.023 176.094 -0.449 0.000 1.042 975 V CA -0.852 61.269 62.300 -0.299 0.000 0.877 975 V CB 2.035 33.684 31.823 -0.289 0.000 0.996 975 V HN 0.944 nan 8.190 nan 0.000 0.425 976 G N 2.908 111.243 108.800 -0.775 0.000 2.371 976 G HA2 0.673 4.633 3.960 -0.001 0.000 0.326 976 G HA3 0.673 4.633 3.960 -0.001 0.000 0.326 976 G C -1.673 172.815 174.900 -0.688 0.000 1.127 976 G CA -0.321 44.188 45.100 -0.985 0.000 0.885 976 G HN 0.509 nan 8.290 nan 0.000 0.477 977 Y N 0.391 120.802 120.300 0.185 0.000 2.406 977 Y HA 0.459 5.009 4.550 -0.001 0.000 0.340 977 Y C -0.142 176.025 175.900 0.444 0.000 0.975 977 Y CA -0.918 57.363 58.100 0.301 0.000 1.056 977 Y CB 2.744 41.342 38.460 0.229 0.000 1.210 977 Y HN 0.342 nan 8.280 nan 0.000 0.448 978 V N 5.163 125.367 119.914 0.484 0.000 2.370 978 V HA 0.368 4.488 4.120 -0.001 0.000 0.283 978 V C -0.350 175.967 176.094 0.372 0.000 1.023 978 V CA -0.724 61.783 62.300 0.346 0.000 0.857 978 V CB 1.386 33.365 31.823 0.260 0.000 0.985 978 V HN 0.632 nan 8.190 nan 0.000 0.443 979 L N 4.670 126.099 121.223 0.343 0.000 2.296 979 L HA 0.573 4.913 4.340 -0.001 0.000 0.286 979 L C -0.785 176.280 176.870 0.326 0.000 1.023 979 L CA -0.583 54.453 54.840 0.326 0.000 0.812 979 L CB 1.511 43.758 42.059 0.312 0.000 1.223 979 L HN 0.738 nan 8.230 nan 0.000 0.421 980 H N 3.794 123.015 119.070 0.252 0.000 2.547 980 H HA 0.439 4.994 4.556 -0.001 0.000 0.342 980 H C -0.936 174.478 175.328 0.144 0.000 1.048 980 H CA -0.643 55.526 56.048 0.201 0.000 1.204 980 H CB 1.369 31.325 29.762 0.324 0.000 1.493 980 H HN 0.458 nan 8.280 nan 0.000 0.511 981 R N 4.134 124.278 120.500 -0.594 0.000 2.295 981 R HA 0.321 4.660 4.340 -0.001 0.000 0.324 981 R C -0.323 175.536 176.300 -0.735 0.000 0.968 981 R CA -0.440 55.379 56.100 -0.468 0.000 0.837 981 R CB 1.063 31.219 30.300 -0.239 0.000 1.133 981 R HN 0.740 nan 8.270 nan 0.000 0.450 982 T N 1.750 116.026 114.554 -0.463 0.000 2.771 982 T HA 0.194 4.543 4.350 -0.001 0.000 0.290 982 T C -0.533 173.988 174.700 -0.298 0.000 1.005 982 T CA -0.464 61.462 62.100 -0.291 0.000 0.944 982 T CB 0.552 69.331 68.868 -0.149 0.000 1.147 982 T HN 0.688 nan 8.240 nan 0.000 0.534 983 N N 0.662 119.212 118.700 -0.251 0.000 2.399 983 N HA 0.471 5.211 4.740 -0.001 0.000 0.284 983 N C -1.450 173.896 175.510 -0.273 0.000 1.025 983 N CA -0.500 52.344 53.050 -0.343 0.000 0.885 983 N CB 0.665 38.795 38.487 -0.595 0.000 1.339 983 N HN 0.465 nan 8.380 nan 0.000 0.487 984 L N 2.687 123.747 121.223 -0.271 0.000 2.325 984 L HA 0.539 4.879 4.340 -0.001 0.000 0.278 984 L C 0.507 177.252 176.870 -0.208 0.000 1.023 984 L CA -0.955 53.761 54.840 -0.207 0.000 0.811 984 L CB 1.586 43.533 42.059 -0.185 0.000 1.249 984 L HN 0.386 nan 8.230 nan 0.000 0.431 985 M N 1.928 121.427 119.600 -0.169 0.000 2.245 985 M HA 0.099 4.579 4.480 -0.001 0.000 0.344 985 M C -0.160 176.055 176.300 -0.141 0.000 1.170 985 M CA 0.208 55.412 55.300 -0.160 0.000 1.135 985 M CB 0.392 32.905 32.600 -0.145 0.000 1.574 985 M HN 0.533 nan 8.290 nan 0.000 0.452 986 Q N 1.735 121.456 119.800 -0.131 0.000 2.307 986 Q HA 0.172 4.511 4.340 -0.001 0.000 0.259 986 Q C -0.284 175.662 176.000 -0.089 0.000 0.998 986 Q CA -0.235 55.505 55.803 -0.104 0.000 0.923 986 Q CB 0.726 29.406 28.738 -0.096 0.000 1.196 986 Q HN 0.773 nan 8.270 nan 0.000 0.416 987 c N 1.422 119.974 118.600 -0.081 0.000 3.240 987 c HA 0.393 4.962 4.570 -0.001 0.000 0.271 987 c C 1.241 175.296 174.090 -0.058 0.000 1.534 987 c CA -0.101 56.185 56.329 -0.072 0.000 1.796 987 c CB -0.469 41.993 42.510 -0.081 0.000 2.892 987 c HN 1.142 nan 8.230 nan 0.000 0.566 988 G N 1.414 110.182 108.800 -0.053 0.000 2.157 988 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.239 988 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.239 988 G C -0.015 174.862 174.900 -0.039 0.000 0.982 988 G CA 0.346 45.420 45.100 -0.043 0.000 0.650 988 G HN 0.452 nan 8.290 nan 0.000 0.527 989 T N 2.951 117.479 114.554 -0.044 0.000 2.729 989 T HA 0.495 4.844 4.350 -0.001 0.000 0.296 989 T C -1.744 172.935 174.700 -0.035 0.000 0.928 989 T CA -0.578 61.499 62.100 -0.038 0.000 1.045 989 T CB 1.488 70.332 68.868 -0.041 0.000 0.902 989 T HN 0.190 nan 8.240 nan 0.000 0.500 990 P HA 0.089 nan 4.420 nan 0.000 0.265 990 P C 0.090 177.376 177.300 -0.022 0.000 1.193 990 P CA -0.269 62.817 63.100 -0.023 0.000 0.765 990 P CB 0.494 32.184 31.700 -0.016 0.000 0.823 991 E N 3.030 123.216 120.200 -0.023 0.000 2.344 991 E HA 0.026 4.375 4.350 -0.001 0.000 0.270 991 E C 0.106 176.704 176.600 -0.004 0.000 1.021 991 E CA -0.528 55.858 56.400 -0.024 0.000 0.887 991 E CB 0.617 30.297 29.700 -0.033 0.000 0.997 991 E HN 0.419 nan 8.360 nan 0.000 0.429 992 E N 4.315 124.514 120.200 -0.002 0.000 2.266 992 E HA 0.061 4.410 4.350 -0.001 0.000 0.277 992 E C -0.702 175.923 176.600 0.041 0.000 1.018 992 E CA -0.647 55.769 56.400 0.027 0.000 0.840 992 E CB 0.819 30.531 29.700 0.021 0.000 1.082 992 E HN 0.545 nan 8.360 nan 0.000 0.395 993 H N 1.594 120.658 119.070 -0.010 0.000 3.034 993 H HA 0.063 4.619 4.556 -0.001 0.000 0.324 993 H C -0.232 175.100 175.328 0.007 0.000 1.015 993 H CA 1.270 57.315 56.048 -0.005 0.000 1.429 993 H CB 0.474 30.233 29.762 -0.006 0.000 1.429 993 H HN 0.641 nan 8.280 nan 0.000 0.585 994 T N 1.595 116.003 114.554 -0.244 0.000 2.910 994 T HA 0.429 4.778 4.350 -0.001 0.000 0.287 994 T C -0.416 174.199 174.700 -0.141 0.000 1.050 994 T CA -1.271 60.774 62.100 -0.092 0.000 1.011 994 T CB 1.563 70.395 68.868 -0.060 0.000 1.195 994 T HN 0.630 nan 8.240 nan 0.000 0.540 995 Q N 0.525 120.324 119.800 -0.001 0.000 2.235 995 Q HA 0.390 4.730 4.340 -0.001 0.000 0.250 995 Q C -0.329 175.662 176.000 -0.015 0.000 0.909 995 Q CA -0.880 54.933 55.803 0.016 0.000 0.910 995 Q CB 1.490 30.272 28.738 0.073 0.000 1.223 995 Q HN 0.594 nan 8.270 nan 0.000 0.432 996 K N 1.878 122.265 120.400 -0.023 0.000 2.484 996 K HA 0.033 4.353 4.320 -0.001 0.000 0.280 996 K C -0.964 175.625 176.600 -0.019 0.000 1.013 996 K CA -0.199 56.071 56.287 -0.030 0.000 1.029 996 K CB 0.308 32.789 32.500 -0.031 0.000 0.902 996 K HN 0.419 nan 8.250 nan 0.000 0.481 997 L N 4.876 126.085 121.223 -0.023 0.000 2.265 997 L HA 0.282 4.622 4.340 -0.001 0.000 0.289 997 L C -1.161 175.666 176.870 -0.071 0.000 1.033 997 L CA -0.063 54.759 54.840 -0.030 0.000 0.814 997 L CB 1.190 43.243 42.059 -0.010 0.000 1.203 997 L HN 0.621 nan 8.230 nan 0.000 0.423 998 D N 3.512 123.864 120.400 -0.080 0.000 2.460 998 D HA 0.165 4.804 4.640 -0.001 0.000 0.232 998 D C 1.092 177.297 176.300 -0.159 0.000 1.079 998 D CA -0.282 53.650 54.000 -0.113 0.000 0.864 998 D CB 1.280 42.049 40.800 -0.052 0.000 1.048 998 D HN 0.388 nan 8.370 nan 0.000 0.523 999 V N 1.478 121.205 119.914 -0.311 0.000 2.594 999 V HA -0.179 3.940 4.120 -0.001 0.000 0.253 999 V C 2.094 177.899 176.094 -0.482 0.000 1.069 999 V CA 1.063 63.007 62.300 -0.594 0.000 1.082 999 V CB -1.070 30.127 31.823 -1.044 0.000 0.680 999 V HN 0.619 nan 8.190 nan 0.000 0.469 1000 c N 0.545 118.998 118.600 -0.246 0.000 2.456 1000 c HA 0.036 4.606 4.570 -0.001 0.000 0.279 1000 c C 2.120 176.132 174.090 -0.131 0.000 1.427 1000 c CA 1.173 57.427 56.329 -0.125 0.000 1.778 1000 c CB -1.779 40.651 42.510 -0.132 0.000 1.842 1000 c HN 0.766 nan 8.230 nan 0.000 0.531 1001 H N -0.965 118.087 119.070 -0.031 0.000 2.542 1001 H HA 0.259 4.814 4.556 -0.001 0.000 0.283 1001 H C 1.735 177.099 175.328 0.060 0.000 1.059 1001 H CA 0.001 56.071 56.048 0.035 0.000 1.162 1001 H CB 0.043 29.808 29.762 0.005 0.000 1.539 1001 H HN 0.339 nan 8.280 nan 0.000 0.543 1002 L N -0.148 121.138 121.223 0.104 0.000 2.141 1002 L HA -0.040 4.299 4.340 -0.001 0.000 0.209 1002 L C 0.203 177.216 176.870 0.238 0.000 1.094 1002 L CA 0.919 55.844 54.840 0.142 0.000 0.763 1002 L CB 0.069 42.173 42.059 0.075 0.000 0.908 1002 L HN 0.205 nan 8.230 nan 0.000 0.437 1003 L N 0.020 121.342 121.223 0.165 0.000 2.331 1003 L HA 0.371 4.710 4.340 -0.001 0.000 0.275 1003 L C -2.059 174.863 176.870 0.086 0.000 1.022 1003 L CA -1.987 52.878 54.840 0.041 0.000 0.812 1003 L CB 1.417 43.260 42.059 -0.360 0.000 1.257 1003 L HN -0.198 nan 8.230 nan 0.000 0.435 1004 P HA 0.139 nan 4.420 nan 0.000 0.274 1004 P C -0.868 176.548 177.300 0.193 0.000 1.256 1004 P CA -0.275 62.899 63.100 0.124 0.000 0.795 1004 P CB 0.388 32.138 31.700 0.082 0.000 1.038 1005 N N -3.273 115.518 118.700 0.152 0.000 2.754 1005 N HA -0.149 4.591 4.740 -0.001 0.000 0.248 1005 N C 0.004 175.586 175.510 0.119 0.000 1.093 1005 N CA 0.109 53.235 53.050 0.127 0.000 0.699 1005 N CB -2.052 36.502 38.487 0.112 0.000 1.016 1005 N HN 0.247 nan 8.380 nan 0.000 0.552 1006 V N -0.001 119.935 119.914 0.037 0.000 2.599 1006 V HA 0.335 4.455 4.120 -0.001 0.000 0.300 1006 V C 1.217 177.204 176.094 -0.180 0.000 1.034 1006 V CA 1.256 63.402 62.300 -0.257 0.000 1.115 1006 V CB 1.167 32.731 31.823 -0.432 0.000 0.934 1006 V HN 0.442 nan 8.190 nan 0.000 0.485 1007 A N 6.994 129.689 122.820 -0.208 0.000 2.287 1007 A HA 0.482 4.802 4.320 -0.001 0.000 0.214 1007 A C 0.933 178.477 177.584 -0.066 0.000 1.228 1007 A CA 0.015 51.993 52.037 -0.097 0.000 0.939 1007 A CB 0.270 19.230 19.000 -0.067 0.000 0.992 1007 A HN 0.766 nan 8.150 nan 0.000 0.502 1008 R N -1.653 118.782 120.500 -0.109 0.000 2.664 1008 R HA 0.492 4.832 4.340 -0.001 0.000 0.266 1008 R C -2.320 173.956 176.300 -0.040 0.000 1.046 1008 R CA -0.321 55.776 56.100 -0.005 0.000 0.885 1008 R CB 1.550 31.856 30.300 0.009 0.000 1.254 1008 R HN 0.304 nan 8.270 nan 0.000 0.465 1009 c N 2.578 121.209 118.600 0.051 0.000 2.481 1009 c HA 0.608 5.178 4.570 -0.001 0.000 0.324 1009 c C -1.234 172.951 174.090 0.159 0.000 1.170 1009 c CA -0.219 56.144 56.329 0.056 0.000 1.361 1009 c CB 1.289 43.792 42.510 -0.011 0.000 1.977 1009 c HN 0.925 nan 8.230 nan 0.000 0.459 1010 E N 2.895 123.212 120.200 0.196 0.000 2.248 1010 E HA 0.440 4.790 4.350 -0.001 0.000 0.267 1010 E C -0.930 175.847 176.600 0.295 0.000 0.877 1010 E CA -0.577 55.955 56.400 0.220 0.000 0.759 1010 E CB 1.841 31.632 29.700 0.151 0.000 1.182 1010 E HN 0.658 nan 8.360 nan 0.000 0.418 1011 R N 1.587 122.243 120.500 0.260 0.000 2.390 1011 R HA 0.300 4.640 4.340 -0.001 0.000 0.291 1011 R C -0.454 175.876 176.300 0.049 0.000 1.070 1011 R CA 0.127 56.296 56.100 0.115 0.000 1.014 1011 R CB 0.595 30.932 30.300 0.063 0.000 1.007 1011 R HN 0.671 nan 8.270 nan 0.000 0.466 1012 T N -0.078 114.477 114.554 0.002 0.000 2.907 1012 T HA 0.363 4.713 4.350 -0.001 0.000 0.290 1012 T C 0.099 174.776 174.700 -0.037 0.000 1.066 1012 T CA -0.713 61.408 62.100 0.035 0.000 1.012 1012 T CB 1.377 70.337 68.868 0.153 0.000 1.184 1012 T HN 0.635 nan 8.240 nan 0.000 0.522 1013 T N 0.241 114.778 114.554 -0.029 0.000 2.791 1013 T HA 0.189 4.538 4.350 -0.001 0.000 0.323 1013 T C 1.602 176.215 174.700 -0.146 0.000 1.082 1013 T CA -0.657 61.403 62.100 -0.067 0.000 1.084 1013 T CB -0.067 68.780 68.868 -0.034 0.000 0.992 1013 T HN 0.567 nan 8.240 nan 0.000 0.547 1014 L N 1.079 122.203 121.223 -0.165 0.000 2.362 1014 L HA -0.030 4.310 4.340 -0.001 0.000 0.219 1014 L C 2.884 179.464 176.870 -0.484 0.000 1.134 1014 L CA 1.388 56.062 54.840 -0.277 0.000 0.807 1014 L CB -1.048 40.934 42.059 -0.128 0.000 0.927 1014 L HN 0.986 nan 8.230 nan 0.000 0.447 1015 T N -4.727 109.653 114.554 -0.291 0.000 3.148 1015 T HA -0.018 4.331 4.350 -0.001 0.000 0.253 1015 T C 0.775 175.379 174.700 -0.160 0.000 1.134 1015 T CA -0.139 61.826 62.100 -0.225 0.000 1.051 1015 T CB -0.181 68.672 68.868 -0.025 0.000 0.959 1015 T HN 0.221 nan 8.240 nan 0.000 0.525 1016 F N -0.960 119.001 119.950 0.018 0.000 2.794 1016 F HA -0.193 4.334 4.527 -0.001 0.000 0.335 1016 F C 1.051 176.850 175.800 -0.002 0.000 0.653 1016 F CA -0.018 57.985 58.000 0.005 0.000 1.266 1016 F CB -2.286 36.712 39.000 -0.002 0.000 1.666 1016 F HN 0.240 nan 8.300 nan 0.000 0.314 1017 L N -0.864 120.427 121.223 0.114 0.000 2.509 1017 L HA 0.086 4.426 4.340 -0.001 0.000 0.222 1017 L C 1.086 177.977 176.870 0.034 0.000 1.123 1017 L CA 0.923 55.803 54.840 0.066 0.000 0.856 1017 L CB 0.124 42.206 42.059 0.038 0.000 0.985 1017 L HN 0.339 nan 8.230 nan 0.000 0.456 1018 Q N 0.498 120.318 119.800 0.033 0.000 2.305 1018 Q HA 0.273 4.612 4.340 -0.001 0.000 0.271 1018 Q C -1.183 174.833 176.000 0.027 0.000 1.046 1018 Q CA -0.700 55.111 55.803 0.014 0.000 0.798 1018 Q CB 1.899 30.631 28.738 -0.009 0.000 1.286 1018 Q HN 0.093 nan 8.270 nan 0.000 0.435 1019 N N 4.420 123.135 118.700 0.024 0.000 2.458 1019 N HA 0.189 4.929 4.740 -0.001 0.000 0.270 1019 N C 0.287 175.813 175.510 0.027 0.000 1.102 1019 N CA 0.208 53.279 53.050 0.036 0.000 0.967 1019 N CB 1.149 39.653 38.487 0.029 0.000 1.078 1019 N HN 0.642 nan 8.380 nan 0.000 0.471 1020 L N 0.684 121.928 121.223 0.035 0.000 2.500 1020 L HA 0.285 4.625 4.340 -0.001 0.000 0.219 1020 L C 0.214 177.112 176.870 0.046 0.000 1.057 1020 L CA 0.603 55.458 54.840 0.025 0.000 0.854 1020 L CB 0.280 42.343 42.059 0.005 0.000 1.078 1020 L HN 0.395 nan 8.230 nan 0.000 0.480 1021 E N -0.933 119.315 120.200 0.079 0.000 2.335 1021 E HA 0.199 4.549 4.350 -0.001 0.000 0.280 1021 E C -1.356 175.345 176.600 0.168 0.000 0.918 1021 E CA -0.461 56.003 56.400 0.106 0.000 0.765 1021 E CB 2.317 32.077 29.700 0.101 0.000 1.218 1021 E HN 0.083 nan 8.360 nan 0.000 0.425 1022 H N 4.527 123.622 119.070 0.043 0.000 2.594 1022 H HA 0.330 4.886 4.556 -0.001 0.000 0.304 1022 H C -0.829 174.524 175.328 0.041 0.000 1.068 1022 H CA -0.581 55.490 56.048 0.038 0.000 1.308 1022 H CB 0.643 30.417 29.762 0.021 0.000 1.409 1022 H HN 0.332 nan 8.280 nan 0.000 0.460 1023 L N 5.248 126.428 121.223 -0.071 0.000 2.276 1023 L HA 0.110 4.450 4.340 -0.001 0.000 0.286 1023 L C 0.119 176.865 176.870 -0.206 0.000 1.061 1023 L CA -0.871 53.914 54.840 -0.091 0.000 0.807 1023 L CB 1.065 43.130 42.059 0.009 0.000 1.177 1023 L HN 0.656 nan 8.230 nan 0.000 0.429 1024 D N 2.808 123.116 120.400 -0.153 0.000 2.493 1024 D HA 0.143 4.783 4.640 -0.001 0.000 0.240 1024 D C 1.184 177.437 176.300 -0.079 0.000 1.142 1024 D CA 1.209 55.131 54.000 -0.131 0.000 0.872 1024 D CB 1.169 41.922 40.800 -0.078 0.000 1.173 1024 D HN 0.835 nan 8.370 nan 0.000 0.467 1025 G N 3.077 111.838 108.800 -0.065 0.000 2.166 1025 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.260 1025 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.260 1025 G C 0.781 175.708 174.900 0.045 0.000 0.986 1025 G CA 0.438 45.532 45.100 -0.010 0.000 0.683 1025 G HN 0.648 nan 8.290 nan 0.000 0.527 1026 M N -2.808 116.792 119.600 -0.000 0.000 2.576 1026 M HA -0.189 4.291 4.480 -0.001 0.000 0.200 1026 M C 0.058 176.400 176.300 0.070 0.000 0.487 1026 M CA 0.926 56.232 55.300 0.009 0.000 0.553 1026 M CB -1.897 30.686 32.600 -0.027 0.000 2.042 1026 M HN 0.243 nan 8.290 nan 0.000 0.758 1027 V N 0.778 120.709 119.914 0.028 0.000 2.384 1027 V HA 0.722 4.841 4.120 -0.001 0.000 0.287 1027 V C 0.598 176.614 176.094 -0.130 0.000 1.020 1027 V CA -0.357 61.941 62.300 -0.004 0.000 0.850 1027 V CB 1.771 33.580 31.823 -0.022 0.000 0.987 1027 V HN 0.380 nan 8.190 nan 0.000 0.436 1028 A N 8.051 130.710 122.820 -0.269 0.000 2.310 1028 A HA 0.730 5.050 4.320 -0.001 0.000 0.300 1028 A C -2.410 174.891 177.584 -0.471 0.000 1.269 1028 A CA -1.386 50.252 52.037 -0.665 0.000 0.909 1028 A CB 0.016 18.344 19.000 -1.121 0.000 1.144 1028 A HN 0.621 nan 8.150 nan 0.000 0.540 1029 P HA 0.180 nan 4.420 nan 0.000 0.271 1029 P C -0.140 177.144 177.300 -0.027 0.000 1.218 1029 P CA -0.170 62.876 63.100 -0.089 0.000 0.780 1029 P CB 0.547 32.257 31.700 0.016 0.000 0.901 1030 E N 0.049 120.244 120.200 -0.008 0.000 2.408 1030 E HA 0.219 4.568 4.350 -0.001 0.000 0.259 1030 E C 0.184 176.827 176.600 0.072 0.000 1.110 1030 E CA -0.688 55.734 56.400 0.038 0.000 0.929 1030 E CB 0.399 30.100 29.700 0.002 0.000 0.971 1030 E HN 0.300 nan 8.360 nan 0.000 0.438 1031 V N -1.239 118.721 119.914 0.076 0.000 2.973 1031 V HA 0.351 4.470 4.120 -0.001 0.000 0.314 1031 V C 0.165 176.259 176.094 -0.001 0.000 1.066 1031 V CA -1.108 61.227 62.300 0.059 0.000 1.021 1031 V CB 1.279 33.144 31.823 0.070 0.000 1.076 1031 V HN 0.751 nan 8.190 nan 0.000 0.462 1032 c N 2.471 121.067 118.600 -0.007 0.000 2.580 1032 c HA 0.439 5.008 4.570 -0.001 0.000 0.371 1032 c C -2.103 171.932 174.090 -0.092 0.000 1.308 1032 c CA -0.333 55.974 56.329 -0.037 0.000 2.428 1032 c CB -0.021 42.485 42.510 -0.007 0.000 2.529 1032 c HN 0.818 nan 8.230 nan 0.000 0.657 1033 P HA 0.045 nan 4.420 nan 0.000 0.264 1033 P C 0.266 177.414 177.300 -0.252 0.000 1.193 1033 P CA 0.918 63.885 63.100 -0.223 0.000 0.763 1033 P CB 0.179 31.728 31.700 -0.252 0.000 0.810 1034 M N -1.118 118.283 119.600 -0.332 0.000 2.939 1034 M HA -0.178 4.301 4.480 -0.001 0.000 0.194 1034 M C -0.137 176.162 176.300 -0.000 0.000 0.617 1034 M CA 1.355 56.446 55.300 -0.348 0.000 0.734 1034 M CB -2.052 30.023 32.600 -0.876 0.000 2.637 1034 M HN 0.401 nan 8.290 nan 0.000 0.316 1035 E N 0.443 120.640 120.200 -0.006 0.000 2.227 1035 E HA 0.722 5.072 4.350 -0.001 0.000 0.268 1035 E C 0.112 176.781 176.600 0.115 0.000 0.990 1035 E CA -0.090 56.382 56.400 0.121 0.000 0.856 1035 E CB 1.319 31.056 29.700 0.061 0.000 1.159 1035 E HN 0.149 nan 8.360 nan 0.000 0.401 1036 T N 0.510 115.147 114.554 0.139 0.000 2.881 1036 T HA 0.706 5.056 4.350 -0.001 0.000 0.290 1036 T C -0.821 173.888 174.700 0.014 0.000 1.000 1036 T CA -0.664 61.524 62.100 0.146 0.000 0.978 1036 T CB 1.596 70.560 68.868 0.160 0.000 0.997 1036 T HN 0.506 nan 8.240 nan 0.000 0.443 1037 A N 1.929 124.759 122.820 0.018 0.000 2.469 1037 A HA 1.005 5.324 4.320 -0.001 0.000 0.299 1037 A C -1.004 176.477 177.584 -0.171 0.000 1.098 1037 A CA -0.944 51.007 52.037 -0.144 0.000 0.737 1037 A CB 1.532 20.395 19.000 -0.229 0.000 1.312 1037 A HN 1.115 nan 8.150 nan 0.000 0.414 1038 A N 0.201 122.826 122.820 -0.324 0.000 2.365 1038 A HA 0.828 5.147 4.320 -0.001 0.000 0.318 1038 A C -1.613 175.790 177.584 -0.303 0.000 1.091 1038 A CA -0.355 51.602 52.037 -0.135 0.000 0.763 1038 A CB 0.790 19.732 19.000 -0.098 0.000 1.248 1038 A HN 0.860 nan 8.150 nan 0.000 0.442 1039 Y N 0.008 120.521 120.300 0.356 0.000 2.524 1039 Y HA 0.576 5.125 4.550 -0.001 0.000 0.347 1039 Y C -0.292 175.793 175.900 0.307 0.000 1.005 1039 Y CA -0.893 57.375 58.100 0.281 0.000 1.025 1039 Y CB 2.515 41.099 38.460 0.206 0.000 1.275 1039 Y HN 0.419 nan 8.280 nan 0.000 0.460 1040 V N 2.373 122.498 119.914 0.353 0.000 2.483 1040 V HA 0.492 4.611 4.120 -0.001 0.000 0.297 1040 V C -0.655 175.531 176.094 0.153 0.000 1.027 1040 V CA -0.953 61.449 62.300 0.170 0.000 0.855 1040 V CB 1.747 33.602 31.823 0.054 0.000 0.995 1040 V HN 0.828 nan 8.190 nan 0.000 0.424 1041 S N 3.385 119.181 115.700 0.160 0.000 2.508 1041 S HA 0.714 5.183 4.470 -0.001 0.000 0.284 1041 S C -0.210 174.327 174.600 -0.105 0.000 1.192 1041 S CA -0.592 57.625 58.200 0.029 0.000 1.070 1041 S CB 1.579 64.871 63.200 0.154 0.000 1.004 1041 S HN 0.561 nan 8.310 nan 0.000 0.493 1042 S N 2.425 117.938 115.700 -0.312 0.000 2.472 1042 S HA 0.513 4.983 4.470 -0.001 0.000 0.303 1042 S C -0.886 173.386 174.600 -0.546 0.000 1.099 1042 S CA -0.766 57.280 58.200 -0.257 0.000 1.077 1042 S CB 0.484 63.607 63.200 -0.127 0.000 1.031 1042 S HN 0.780 nan 8.310 nan 0.000 0.487 1043 H N 0.973 120.030 119.070 -0.021 0.000 2.667 1043 H HA 0.259 4.815 4.556 -0.001 0.000 0.353 1043 H C 0.346 175.667 175.328 -0.012 0.000 1.072 1043 H CA -0.535 55.502 56.048 -0.017 0.000 1.214 1043 H CB 1.799 31.553 29.762 -0.013 0.000 1.600 1043 H HN 0.670 nan 8.280 nan 0.000 0.527 1044 S N 1.580 117.324 115.700 0.074 0.000 2.558 1044 S HA -0.047 4.423 4.470 -0.001 0.000 0.217 1044 S C 1.155 175.786 174.600 0.052 0.000 0.975 1044 S CA 0.149 58.375 58.200 0.042 0.000 0.912 1044 S CB 0.184 63.397 63.200 0.021 0.000 0.776 1044 S HN 0.624 nan 8.310 nan 0.000 0.526 1045 S N 0.000 115.747 115.700 0.079 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.235 58.200 0.059 0.000 1.107 1045 S CB 0.000 63.228 63.200 0.047 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517