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 2zj0_1_D DATA FIRST_RESID 11 DATA SEQUENCE LTPDVRNGID FKIADLSLAD FGRKELRIAE HEMPGLMSLR REYAEVQPLK DATA SEQUENCE GARISGSLHM TVQTAVLIET LTALGAEVRW ASCNIFSTQD HAAAAVVVGP DATA SEQUENCE HGTPDEPKGV PVFAWKGETL EEYWWAAEQM LTWPDPDKPA NMILDDGGDA DATA SEQUENCE TMLVLRGMQY EKAGVVPPAE EDDPAEWKVF LNLLRTRFET DKDKWTKIAE DATA SEQUENCE SVKGVTEETT TGVLRLYQFA AAGDLAFPAI NVNDSVTKSK FDNKYGTRHS DATA SEQUENCE LIDGINRGTD ALIGGKKVLI CGYGDVGKGC AEAMKGQGAR VSVTEIDPIN DATA SEQUENCE ALQAMMEGFD VVTVEEAIGD ADIVVTATGN KDIIMLEHIK AMKDHAILGN DATA SEQUENCE IGHFDNEIDM AGLERSGATR VNVKPQVDLW TFGDTGRSII VLSEGRLLNL DATA SEQUENCE GNATGHPSFV MSNSFANQTI AQIELWTKND EYDNEVYRLP KHLDEKVARI DATA SEQUENCE HVEALGGHLT KLTKEQAEYL GVDVEGPYKP DHYRY 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.616 176.870 -0.424 0.000 1.165 11 L CA 0.000 54.469 54.840 -0.619 0.000 0.813 11 L CB 0.000 41.311 42.059 -1.246 0.000 0.961 12 T N 0.951 115.382 114.554 -0.205 0.000 2.933 12 T HA 0.782 5.199 4.350 0.111 0.000 0.305 12 T C -2.849 171.966 174.700 0.192 0.000 1.092 12 T CA -1.771 60.385 62.100 0.093 0.000 1.008 12 T CB 2.312 71.198 68.868 0.030 0.000 1.102 12 T HN 0.224 nan 8.240 nan 0.000 0.469 13 P HA 0.411 nan 4.420 nan 0.000 0.272 13 P C -0.783 176.499 177.300 -0.029 0.000 1.230 13 P CA -0.314 62.961 63.100 0.293 0.000 0.788 13 P CB 0.483 32.399 31.700 0.361 0.000 0.949 14 D N -0.154 120.043 120.400 -0.339 0.000 2.229 14 D HA 0.401 5.107 4.640 0.111 0.000 0.249 14 D C -0.510 175.482 176.300 -0.513 0.000 1.027 14 D CA -0.148 53.532 54.000 -0.534 0.000 0.923 14 D CB 1.441 41.689 40.800 -0.919 0.000 1.174 14 D HN -0.015 nan 8.370 nan 0.000 0.443 15 V N 1.513 121.315 119.914 -0.186 0.000 2.656 15 V HA 0.624 4.811 4.120 0.111 0.000 0.307 15 V C -0.239 175.945 176.094 0.149 0.000 1.051 15 V CA -0.802 61.518 62.300 0.033 0.000 0.893 15 V CB 2.099 33.945 31.823 0.038 0.000 0.999 15 V HN 0.442 nan 8.190 nan 0.000 0.426 16 R N 3.227 123.879 120.500 0.253 0.000 2.585 16 R HA 0.414 4.821 4.340 0.111 0.000 0.288 16 R C -0.067 176.303 176.300 0.118 0.000 1.194 16 R CA -0.243 55.978 56.100 0.202 0.000 1.006 16 R CB 0.446 30.926 30.300 0.300 0.000 1.229 16 R HN 0.867 nan 8.270 nan 0.000 0.412 17 N N 2.933 121.676 118.700 0.072 0.000 2.740 17 N HA -0.207 4.600 4.740 0.111 0.000 0.248 17 N C 0.592 176.129 175.510 0.045 0.000 1.062 17 N CA 2.117 55.193 53.050 0.043 0.000 0.704 17 N CB -0.918 37.582 38.487 0.022 0.000 0.968 17 N HN 1.130 nan 8.380 nan 0.000 0.547 18 G N -1.606 107.230 108.800 0.061 0.000 2.179 18 G HA2 -0.295 3.732 3.960 0.111 0.000 0.260 18 G HA3 -0.295 3.732 3.960 0.111 0.000 0.260 18 G C 0.169 175.109 174.900 0.067 0.000 0.977 18 G CA 0.445 45.580 45.100 0.057 0.000 0.641 18 G HN 0.579 nan 8.290 nan 0.000 0.533 19 I N 2.542 123.166 120.570 0.091 0.000 2.339 19 I HA 0.340 4.577 4.170 0.111 0.000 0.290 19 I C -0.254 176.016 176.117 0.255 0.000 0.994 19 I CA -0.994 60.371 61.300 0.108 0.000 1.191 19 I CB 1.271 39.285 38.000 0.023 0.000 1.343 19 I HN 0.226 nan 8.210 nan 0.000 0.458 20 D N 7.490 128.002 120.400 0.186 0.000 2.210 20 D HA 0.557 5.263 4.640 0.111 0.000 0.249 20 D C -0.627 175.715 176.300 0.070 0.000 1.062 20 D CA -0.187 53.916 54.000 0.171 0.000 0.891 20 D CB 1.926 42.826 40.800 0.167 0.000 1.186 20 D HN 0.445 nan 8.370 nan 0.000 0.432 21 F N -1.628 118.147 119.950 -0.291 0.000 2.858 21 F HA 0.670 5.263 4.527 0.110 0.000 0.319 21 F C -1.827 173.814 175.800 -0.264 0.000 1.166 21 F CA -1.268 56.298 58.000 -0.723 0.000 0.899 21 F CB 1.548 40.299 39.000 -0.415 0.000 1.332 21 F HN 0.248 nan 8.300 nan 0.000 0.461 22 K N 2.299 122.686 120.400 -0.022 0.000 2.656 22 K HA 0.692 5.079 4.320 0.111 0.000 0.253 22 K C -1.804 175.082 176.600 0.476 0.000 1.002 22 K CA -0.291 56.176 56.287 0.300 0.000 0.880 22 K CB 1.425 34.373 32.500 0.747 0.000 1.232 22 K HN 0.891 nan 8.250 nan 0.000 0.456 23 I N -0.052 120.732 120.570 0.357 0.000 3.095 23 I HA 0.685 4.921 4.170 0.111 0.000 0.310 23 I C 0.889 177.104 176.117 0.163 0.000 1.196 23 I CA -1.162 60.357 61.300 0.364 0.000 0.985 23 I CB 2.034 40.196 38.000 0.270 0.000 1.250 23 I HN 0.425 nan 8.210 nan 0.000 0.446 24 A N 1.537 124.474 122.820 0.196 0.000 1.903 24 A HA -0.159 4.227 4.320 0.111 0.000 0.219 24 A C 0.703 178.320 177.584 0.055 0.000 1.191 24 A CA 2.552 54.636 52.037 0.079 0.000 0.638 24 A CB -0.500 18.601 19.000 0.168 0.000 0.823 24 A HN 0.932 nan 8.150 nan 0.000 0.451 25 D N -3.088 117.368 120.400 0.095 0.000 2.301 25 D HA 0.195 4.902 4.640 0.111 0.000 0.203 25 D C -0.008 176.335 176.300 0.073 0.000 1.300 25 D CA -0.560 53.486 54.000 0.078 0.000 0.899 25 D CB 0.234 41.080 40.800 0.077 0.000 1.597 25 D HN -0.084 nan 8.370 nan 0.000 0.538 26 L N 2.927 124.184 121.223 0.058 0.000 2.275 26 L HA -0.014 4.392 4.340 0.111 0.000 0.215 26 L C 2.173 179.051 176.870 0.012 0.000 1.119 26 L CA 1.964 56.809 54.840 0.008 0.000 0.790 26 L CB -0.802 41.254 42.059 -0.004 0.000 0.919 26 L HN 0.543 nan 8.230 nan 0.000 0.443 27 S N -1.983 113.739 115.700 0.038 0.000 2.603 27 S HA -0.029 4.508 4.470 0.111 0.000 0.229 27 S C 1.526 176.171 174.600 0.075 0.000 0.972 27 S CA 0.242 58.468 58.200 0.044 0.000 0.935 27 S CB -0.573 62.652 63.200 0.043 0.000 0.769 27 S HN 0.460 nan 8.310 nan 0.000 0.536 28 L N 0.572 121.851 121.223 0.094 0.000 2.612 28 L HA 0.330 4.736 4.340 0.111 0.000 0.230 28 L C 2.513 179.459 176.870 0.126 0.000 1.140 28 L CA 0.353 55.290 54.840 0.162 0.000 0.896 28 L CB -0.465 41.712 42.059 0.196 0.000 1.065 28 L HN 0.435 nan 8.230 nan 0.000 0.447 29 A N 0.133 122.985 122.820 0.055 0.000 1.930 29 A HA -0.182 4.205 4.320 0.111 0.000 0.217 29 A C 1.852 179.451 177.584 0.024 0.000 1.175 29 A CA 1.603 53.639 52.037 -0.001 0.000 0.627 29 A CB -0.200 18.778 19.000 -0.037 0.000 0.815 29 A HN 0.312 nan 8.150 nan 0.000 0.443 30 D N -1.014 119.431 120.400 0.076 0.000 2.117 30 D HA -0.105 4.602 4.640 0.111 0.000 0.198 30 D C 1.563 177.966 176.300 0.172 0.000 0.982 30 D CA 1.148 55.204 54.000 0.093 0.000 0.828 30 D CB -0.416 40.438 40.800 0.090 0.000 0.967 30 D HN 0.460 nan 8.370 nan 0.000 0.464 31 F N 1.657 121.645 119.950 0.064 0.000 2.206 31 F HA 0.122 4.717 4.527 0.112 0.000 0.298 31 F C 2.132 178.043 175.800 0.184 0.000 1.090 31 F CA 1.331 59.403 58.000 0.120 0.000 1.323 31 F CB -0.673 38.399 39.000 0.120 0.000 1.028 31 F HN -0.069 nan 8.300 nan 0.000 0.492 32 G N 0.457 109.225 108.800 -0.054 0.000 2.459 32 G HA2 -0.363 3.664 3.960 0.111 0.000 0.217 32 G HA3 -0.363 3.664 3.960 0.111 0.000 0.217 32 G C 1.802 176.561 174.900 -0.234 0.000 1.183 32 G CA 1.031 45.932 45.100 -0.332 0.000 0.776 32 G HN 0.337 nan 8.290 nan 0.000 0.552 33 R N 0.725 121.162 120.500 -0.106 0.000 2.092 33 R HA 0.073 4.479 4.340 0.111 0.000 0.231 33 R C 2.460 178.734 176.300 -0.043 0.000 1.119 33 R CA 1.588 57.635 56.100 -0.088 0.000 0.970 33 R CB -0.494 29.764 30.300 -0.069 0.000 0.864 33 R HN 0.354 nan 8.270 nan 0.000 0.440 34 K N 0.185 120.600 120.400 0.025 0.000 2.059 34 K HA -0.193 4.193 4.320 0.111 0.000 0.212 34 K C 1.958 178.591 176.600 0.054 0.000 1.050 34 K CA 2.218 58.550 56.287 0.076 0.000 0.927 34 K CB -0.112 32.496 32.500 0.179 0.000 0.714 34 K HN 0.343 nan 8.250 nan 0.000 0.447 35 E N 0.112 120.316 120.200 0.008 0.000 2.230 35 E HA -0.106 4.311 4.350 0.111 0.000 0.192 35 E C 1.907 178.473 176.600 -0.056 0.000 0.987 35 E CA 0.257 56.653 56.400 -0.006 0.000 0.841 35 E CB 0.105 29.792 29.700 -0.022 0.000 0.783 35 E HN 0.091 nan 8.360 nan 0.000 0.481 36 L N 0.985 122.139 121.223 -0.114 0.000 2.013 36 L HA -0.225 4.182 4.340 0.111 0.000 0.212 36 L C 2.280 179.109 176.870 -0.069 0.000 1.073 36 L CA 1.801 56.573 54.840 -0.113 0.000 0.753 36 L CB -0.267 41.704 42.059 -0.148 0.000 0.890 36 L HN -0.023 nan 8.230 nan 0.000 0.432 37 R N -1.100 119.378 120.500 -0.037 0.000 2.115 37 R HA -0.027 4.380 4.340 0.111 0.000 0.226 37 R C 2.251 178.587 176.300 0.059 0.000 1.100 37 R CA 1.098 57.187 56.100 -0.019 0.000 0.980 37 R CB -0.302 30.011 30.300 0.021 0.000 0.875 37 R HN 0.311 nan 8.270 nan 0.000 0.445 38 I N 0.437 121.069 120.570 0.103 0.000 2.202 38 I HA -0.220 4.017 4.170 0.111 0.000 0.242 38 I C 2.510 178.702 176.117 0.124 0.000 1.091 38 I CA 1.173 62.573 61.300 0.166 0.000 1.368 38 I CB -0.410 37.664 38.000 0.123 0.000 1.058 38 I HN 0.170 nan 8.210 nan 0.000 0.410 39 A N 0.445 123.299 122.820 0.055 0.000 1.986 39 A HA -0.260 4.126 4.320 0.111 0.000 0.220 39 A C 2.182 179.777 177.584 0.017 0.000 1.171 39 A CA 1.913 53.972 52.037 0.037 0.000 0.640 39 A CB -0.628 18.374 19.000 0.002 0.000 0.811 39 A HN 0.497 nan 8.150 nan 0.000 0.451 40 E N -1.269 118.904 120.200 -0.045 0.000 2.107 40 E HA -0.171 4.246 4.350 0.111 0.000 0.191 40 E C 1.729 178.236 176.600 -0.155 0.000 0.982 40 E CA 1.178 57.501 56.400 -0.128 0.000 0.809 40 E CB -0.259 29.311 29.700 -0.216 0.000 0.756 40 E HN 0.870 nan 8.360 nan 0.000 0.459 41 H N 0.341 119.428 119.070 0.029 0.000 2.489 41 H HA -0.023 4.600 4.556 0.112 0.000 0.293 41 H C 1.292 176.670 175.328 0.084 0.000 1.066 41 H CA 0.810 56.885 56.048 0.045 0.000 1.305 41 H CB 0.278 30.063 29.762 0.039 0.000 1.386 41 H HN -0.001 nan 8.280 nan 0.000 0.551 42 E N 0.025 120.334 120.200 0.183 0.000 2.463 42 E HA 0.111 4.527 4.350 0.111 0.000 0.193 42 E C -0.044 176.647 176.600 0.153 0.000 1.041 42 E CA 0.232 56.767 56.400 0.227 0.000 0.879 42 E CB 0.476 30.294 29.700 0.196 0.000 0.997 42 E HN 0.553 nan 8.360 nan 0.000 0.478 43 M N 1.284 120.917 119.600 0.054 0.000 2.952 43 M HA 0.181 4.728 4.480 0.111 0.000 0.259 43 M C -1.922 174.340 176.300 -0.062 0.000 1.306 43 M CA -1.363 53.926 55.300 -0.019 0.000 0.626 43 M CB 1.484 34.082 32.600 -0.004 0.000 1.423 43 M HN -0.233 nan 8.290 nan 0.000 0.459 44 P HA -0.113 nan 4.420 nan 0.000 0.221 44 P C 1.397 178.558 177.300 -0.231 0.000 1.145 44 P CA 1.462 64.463 63.100 -0.165 0.000 0.795 44 P CB 0.115 31.694 31.700 -0.202 0.000 0.775 45 G N 0.626 109.265 108.800 -0.268 0.000 2.421 45 G HA2 -0.190 3.836 3.960 0.111 0.000 0.216 45 G HA3 -0.190 3.836 3.960 0.111 0.000 0.216 45 G C 1.671 176.551 174.900 -0.034 0.000 1.171 45 G CA 0.399 45.416 45.100 -0.138 0.000 0.775 45 G HN 0.230 nan 8.290 nan 0.000 0.543 46 L N -0.090 121.126 121.223 -0.013 0.000 2.109 46 L HA -0.011 4.396 4.340 0.111 0.000 0.207 46 L C 3.065 179.929 176.870 -0.010 0.000 1.086 46 L CA 0.481 55.325 54.840 0.006 0.000 0.760 46 L CB -0.281 41.789 42.059 0.019 0.000 0.910 46 L HN 0.156 nan 8.230 nan 0.000 0.437 47 M N -0.668 118.911 119.600 -0.035 0.000 2.077 47 M HA -0.177 4.370 4.480 0.111 0.000 0.261 47 M C 2.618 178.905 176.300 -0.022 0.000 1.070 47 M CA 1.733 57.009 55.300 -0.038 0.000 1.125 47 M CB -1.559 31.005 32.600 -0.060 0.000 1.339 47 M HN 0.195 nan 8.290 nan 0.000 0.409 48 S N 0.469 116.149 115.700 -0.034 0.000 2.392 48 S HA -0.141 4.396 4.470 0.111 0.000 0.232 48 S C 2.016 176.626 174.600 0.015 0.000 1.041 48 S CA 1.200 59.384 58.200 -0.026 0.000 1.026 48 S CB -0.184 62.981 63.200 -0.057 0.000 0.845 48 S HN 0.456 nan 8.310 nan 0.000 0.465 49 L N 0.385 121.641 121.223 0.055 0.000 2.095 49 L HA 0.022 4.429 4.340 0.111 0.000 0.204 49 L C 2.934 179.915 176.870 0.185 0.000 1.080 49 L CA 1.112 56.050 54.840 0.165 0.000 0.759 49 L CB -0.437 41.711 42.059 0.147 0.000 0.914 49 L HN 0.264 nan 8.230 nan 0.000 0.439 50 R N -0.026 120.527 120.500 0.088 0.000 2.112 50 R HA -0.208 4.199 4.340 0.111 0.000 0.242 50 R C 2.413 178.749 176.300 0.060 0.000 1.137 50 R CA 1.709 57.849 56.100 0.067 0.000 0.944 50 R CB -0.418 29.892 30.300 0.017 0.000 0.857 50 R HN 0.367 nan 8.270 nan 0.000 0.435 51 R N 0.382 120.897 120.500 0.024 0.000 2.066 51 R HA -0.142 4.264 4.340 0.111 0.000 0.232 51 R C 2.317 178.598 176.300 -0.031 0.000 1.131 51 R CA 1.395 57.494 56.100 -0.003 0.000 0.955 51 R CB -0.314 29.976 30.300 -0.016 0.000 0.851 51 R HN 0.384 nan 8.270 nan 0.000 0.432 52 E N -0.060 120.104 120.200 -0.060 0.000 2.204 52 E HA -0.192 4.225 4.350 0.111 0.000 0.195 52 E C 0.305 176.687 176.600 -0.363 0.000 0.990 52 E CA 1.133 57.397 56.400 -0.226 0.000 0.821 52 E CB 0.211 29.741 29.700 -0.284 0.000 0.750 52 E HN 0.385 nan 8.360 nan 0.000 0.477 53 Y N -1.646 118.659 120.300 0.007 0.000 2.707 53 Y HA 0.413 5.033 4.550 0.116 0.000 0.249 53 Y C 1.312 177.220 175.900 0.012 0.000 1.166 53 Y CA 0.068 58.177 58.100 0.014 0.000 1.184 53 Y CB 0.572 39.043 38.460 0.018 0.000 1.240 53 Y HN 0.106 nan 8.280 nan 0.000 0.547 54 A N 0.112 122.995 122.820 0.106 0.000 1.855 54 A HA -0.183 4.203 4.320 0.111 0.000 0.215 54 A C 2.001 179.624 177.584 0.065 0.000 1.191 54 A CA 2.019 54.100 52.037 0.073 0.000 0.613 54 A CB -0.290 18.733 19.000 0.039 0.000 0.829 54 A HN 0.426 nan 8.150 nan 0.000 0.442 55 E N -0.502 119.727 120.200 0.047 0.000 2.106 55 E HA -0.098 4.319 4.350 0.111 0.000 0.192 55 E C 1.912 178.549 176.600 0.061 0.000 0.984 55 E CA 1.192 57.617 56.400 0.040 0.000 0.806 55 E CB -0.092 29.620 29.700 0.020 0.000 0.750 55 E HN 0.356 nan 8.360 nan 0.000 0.458 56 V N 0.450 120.418 119.914 0.090 0.000 2.407 56 V HA -0.215 3.972 4.120 0.111 0.000 0.248 56 V C 0.566 176.737 176.094 0.128 0.000 1.055 56 V CA 0.966 63.340 62.300 0.123 0.000 1.049 56 V CB -0.463 31.485 31.823 0.208 0.000 0.662 56 V HN 0.384 nan 8.190 nan 0.000 0.455 57 Q N -2.022 117.856 119.800 0.131 0.000 2.454 57 Q HA -0.210 4.197 4.340 0.111 0.000 0.341 57 Q C -1.570 174.500 176.000 0.116 0.000 1.437 57 Q CA 0.945 56.810 55.803 0.104 0.000 0.935 57 Q CB -1.680 27.104 28.738 0.078 0.000 1.164 57 Q HN 0.490 nan 8.270 nan 0.000 0.373 58 P HA -0.101 nan 4.420 nan 0.000 0.225 58 P C 1.166 178.589 177.300 0.204 0.000 1.148 58 P CA 0.939 64.108 63.100 0.115 0.000 0.779 58 P CB 0.219 31.891 31.700 -0.046 0.000 0.780 59 L N -2.053 119.234 121.223 0.107 0.000 2.808 59 L HA 0.186 4.593 4.340 0.111 0.000 0.246 59 L C 0.920 177.790 176.870 0.001 0.000 1.153 59 L CA -0.358 54.478 54.840 -0.006 0.000 0.956 59 L CB -0.017 41.941 42.059 -0.167 0.000 1.270 59 L HN -0.158 nan 8.230 nan 0.000 0.528 60 K N 0.789 121.269 120.400 0.133 0.000 2.511 60 K HA 0.090 4.476 4.320 0.111 0.000 0.280 60 K C 1.228 177.965 176.600 0.227 0.000 1.008 60 K CA 1.158 57.517 56.287 0.120 0.000 1.050 60 K CB 0.320 32.891 32.500 0.117 0.000 0.889 60 K HN 0.278 nan 8.250 nan 0.000 0.484 61 G N 1.820 110.679 108.800 0.099 0.000 2.241 61 G HA2 -0.309 3.717 3.960 0.111 0.000 0.244 61 G HA3 -0.309 3.717 3.960 0.111 0.000 0.244 61 G C 0.113 174.905 174.900 -0.179 0.000 0.998 61 G CA 0.067 45.268 45.100 0.169 0.000 0.621 61 G HN 0.887 nan 8.290 nan 0.000 0.519 62 A N 0.504 122.871 122.820 -0.754 0.000 2.450 62 A HA 0.687 5.073 4.320 0.111 0.000 0.255 62 A C 0.648 177.820 177.584 -0.688 0.000 1.096 62 A CA 0.274 51.457 52.037 -1.423 0.000 0.778 62 A CB 0.207 18.252 19.000 -1.591 0.000 1.031 62 A HN 0.480 nan 8.150 nan 0.000 0.494 63 R N 2.453 122.539 120.500 -0.691 0.000 2.310 63 R HA 0.406 4.813 4.340 0.111 0.000 0.316 63 R C -1.272 174.816 176.300 -0.354 0.000 1.004 63 R CA -0.118 55.587 56.100 -0.658 0.000 0.900 63 R CB 1.060 30.563 30.300 -1.329 0.000 1.152 63 R HN 0.715 nan 8.270 nan 0.000 0.513 64 I N 1.400 122.004 120.570 0.057 0.000 2.331 64 I HA 0.201 4.437 4.170 0.111 0.000 0.292 64 I C 0.186 176.497 176.117 0.322 0.000 0.998 64 I CA -0.295 61.070 61.300 0.109 0.000 1.267 64 I CB 1.924 39.953 38.000 0.048 0.000 1.386 64 I HN 0.340 nan 8.210 nan 0.000 0.476 65 S N 4.346 120.143 115.700 0.163 0.000 2.420 65 S HA 0.550 5.086 4.470 0.111 0.000 0.313 65 S C 0.217 174.643 174.600 -0.290 0.000 1.079 65 S CA -0.615 57.603 58.200 0.031 0.000 1.104 65 S CB 1.159 64.425 63.200 0.110 0.000 0.969 65 S HN 0.816 nan 8.310 nan 0.000 0.471 66 G N 1.440 109.827 108.800 -0.689 0.000 2.417 66 G HA2 0.484 4.510 3.960 0.111 0.000 0.320 66 G HA3 0.484 4.510 3.960 0.111 0.000 0.320 66 G C -0.688 173.361 174.900 -1.418 0.000 1.204 66 G CA -0.428 43.745 45.100 -1.545 0.000 0.923 66 G HN 0.545 nan 8.290 nan 0.000 0.466 67 S N 1.773 116.958 115.700 -0.859 0.000 2.528 67 S HA 0.593 5.130 4.470 0.111 0.000 0.303 67 S C -1.021 173.335 174.600 -0.407 0.000 1.123 67 S CA -0.560 57.306 58.200 -0.556 0.000 1.138 67 S CB 0.177 63.191 63.200 -0.310 0.000 0.984 67 S HN 0.699 nan 8.310 nan 0.000 0.474 68 L N 5.777 126.817 121.223 -0.306 0.000 2.751 68 L HA 0.378 4.785 4.340 0.111 0.000 0.261 68 L C -0.862 176.129 176.870 0.202 0.000 0.927 68 L CA -0.228 54.604 54.840 -0.013 0.000 0.968 68 L CB 1.169 43.342 42.059 0.191 0.000 1.432 68 L HN 0.672 nan 8.230 nan 0.000 0.439 69 H N 4.760 123.965 119.070 0.225 0.000 3.150 69 H HA -0.145 4.478 4.556 0.112 0.000 0.250 69 H C 0.540 175.998 175.328 0.218 0.000 0.796 69 H CA 0.628 56.795 56.048 0.199 0.000 1.449 69 H CB 0.228 30.090 29.762 0.167 0.000 1.353 69 H HN 0.643 nan 8.280 nan 0.000 0.499 70 M N 4.668 124.443 119.600 0.292 0.000 3.596 70 M HA 0.020 4.566 4.480 0.111 0.000 0.212 70 M C 0.208 176.582 176.300 0.124 0.000 1.519 70 M CA -0.253 55.169 55.300 0.204 0.000 1.670 70 M CB -0.924 31.796 32.600 0.201 0.000 1.113 70 M HN 0.636 nan 8.290 nan 0.000 0.565 71 T N -2.226 112.401 114.554 0.121 0.000 2.893 71 T HA 0.466 4.883 4.350 0.111 0.000 0.279 71 T C 1.100 175.797 174.700 -0.005 0.000 0.991 71 T CA -0.824 61.328 62.100 0.085 0.000 0.950 71 T CB 0.698 69.644 68.868 0.131 0.000 1.223 71 T HN 0.090 nan 8.240 nan 0.000 0.585 72 V N 1.361 121.261 119.914 -0.024 0.000 2.295 72 V HA -0.154 4.032 4.120 0.111 0.000 0.246 72 V C 2.952 179.023 176.094 -0.038 0.000 1.049 72 V CA 2.015 64.257 62.300 -0.098 0.000 1.024 72 V CB -1.130 30.638 31.823 -0.093 0.000 0.648 72 V HN 0.823 nan 8.190 nan 0.000 0.447 73 Q N -0.185 119.650 119.800 0.058 0.000 2.181 73 Q HA -0.178 4.228 4.340 0.111 0.000 0.205 73 Q C 2.193 178.348 176.000 0.258 0.000 0.980 73 Q CA 2.258 58.162 55.803 0.168 0.000 0.862 73 Q CB -0.857 27.998 28.738 0.195 0.000 0.905 73 Q HN 0.598 nan 8.270 nan 0.000 0.429 74 T N 0.235 114.877 114.554 0.146 0.000 2.951 74 T HA 0.013 4.429 4.350 0.111 0.000 0.268 74 T C 1.792 176.268 174.700 -0.374 0.000 1.073 74 T CA 0.787 62.776 62.100 -0.184 0.000 1.134 74 T CB -0.298 68.497 68.868 -0.122 0.000 0.884 74 T HN 0.419 nan 8.240 nan 0.000 0.479 75 A N 1.515 124.177 122.820 -0.262 0.000 1.841 75 A HA -0.103 4.284 4.320 0.111 0.000 0.216 75 A C 2.514 179.944 177.584 -0.257 0.000 1.199 75 A CA 1.770 53.629 52.037 -0.296 0.000 0.621 75 A CB -1.223 17.634 19.000 -0.239 0.000 0.835 75 A HN 0.335 nan 8.150 nan 0.000 0.445 76 V N 0.054 119.871 119.914 -0.161 0.000 2.453 76 V HA -0.265 3.922 4.120 0.111 0.000 0.252 76 V C 2.499 178.510 176.094 -0.138 0.000 1.068 76 V CA 2.006 64.233 62.300 -0.122 0.000 1.070 76 V CB -1.081 30.709 31.823 -0.055 0.000 0.664 76 V HN 0.606 nan 8.190 nan 0.000 0.461 77 L N 0.024 121.134 121.223 -0.190 0.000 2.027 77 L HA -0.070 4.337 4.340 0.111 0.000 0.206 77 L C 2.182 178.847 176.870 -0.341 0.000 1.074 77 L CA 1.776 56.452 54.840 -0.274 0.000 0.745 77 L CB -0.485 41.227 42.059 -0.580 0.000 0.898 77 L HN 0.190 nan 8.230 nan 0.000 0.433 78 I N -0.083 120.195 120.570 -0.488 0.000 2.163 78 I HA -0.276 3.961 4.170 0.111 0.000 0.243 78 I C 2.213 178.158 176.117 -0.287 0.000 1.085 78 I CA 1.639 62.635 61.300 -0.506 0.000 1.347 78 I CB -0.362 37.215 38.000 -0.704 0.000 1.044 78 I HN 0.375 nan 8.210 nan 0.000 0.408 79 E N -0.276 119.782 120.200 -0.238 0.000 2.427 79 E HA -0.080 4.337 4.350 0.111 0.000 0.196 79 E C 1.915 178.443 176.600 -0.120 0.000 1.028 79 E CA 0.924 57.225 56.400 -0.165 0.000 0.864 79 E CB -0.040 29.563 29.700 -0.162 0.000 0.813 79 E HN 0.505 nan 8.360 nan 0.000 0.514 80 T N 1.699 116.180 114.554 -0.122 0.000 2.809 80 T HA -0.019 4.397 4.350 0.111 0.000 0.260 80 T C 2.057 176.709 174.700 -0.080 0.000 1.039 80 T CA 0.477 62.529 62.100 -0.081 0.000 1.141 80 T CB -0.087 68.742 68.868 -0.066 0.000 0.869 80 T HN 0.080 nan 8.240 nan 0.000 0.437 81 L N 1.431 122.588 121.223 -0.111 0.000 2.012 81 L HA -0.151 4.255 4.340 0.111 0.000 0.210 81 L C 3.134 179.956 176.870 -0.081 0.000 1.073 81 L CA 1.855 56.636 54.840 -0.098 0.000 0.748 81 L CB -1.280 40.720 42.059 -0.098 0.000 0.891 81 L HN 0.472 nan 8.230 nan 0.000 0.431 82 T N -2.475 112.031 114.554 -0.081 0.000 2.833 82 T HA -0.109 4.307 4.350 0.111 0.000 0.269 82 T C 1.755 176.432 174.700 -0.038 0.000 1.054 82 T CA 0.864 62.930 62.100 -0.056 0.000 1.135 82 T CB -0.370 68.463 68.868 -0.059 0.000 0.869 82 T HN 0.310 nan 8.240 nan 0.000 0.466 83 A N 0.766 123.562 122.820 -0.040 0.000 2.248 83 A HA 0.393 4.779 4.320 0.111 0.000 0.210 83 A C 1.884 179.471 177.584 0.005 0.000 1.174 83 A CA 0.528 52.556 52.037 -0.014 0.000 0.750 83 A CB -0.663 18.328 19.000 -0.015 0.000 0.780 83 A HN 0.641 nan 8.150 nan 0.000 0.478 84 L N -2.486 118.732 121.223 -0.009 0.000 3.069 84 L HA 0.353 4.760 4.340 0.111 0.000 0.271 84 L C 1.375 178.243 176.870 -0.003 0.000 1.201 84 L CA 0.430 55.273 54.840 0.005 0.000 1.015 84 L CB 0.301 42.342 42.059 -0.029 0.000 1.371 84 L HN 0.460 nan 8.230 nan 0.000 0.574 85 G N 0.442 109.235 108.800 -0.012 0.000 2.218 85 G HA2 -0.227 3.800 3.960 0.111 0.000 0.216 85 G HA3 -0.227 3.800 3.960 0.111 0.000 0.216 85 G C 0.482 175.350 174.900 -0.053 0.000 0.994 85 G CA -0.087 45.006 45.100 -0.012 0.000 0.637 85 G HN 0.435 nan 8.290 nan 0.000 0.505 86 A N 0.140 122.904 122.820 -0.093 0.000 2.406 86 A HA 0.619 5.005 4.320 0.111 0.000 0.243 86 A C 0.285 177.843 177.584 -0.044 0.000 1.082 86 A CA 0.517 52.472 52.037 -0.135 0.000 0.786 86 A CB 0.323 19.228 19.000 -0.159 0.000 1.029 86 A HN 0.447 nan 8.150 nan 0.000 0.495 87 E N -0.411 119.786 120.200 -0.005 0.000 2.166 87 E HA 0.467 4.884 4.350 0.111 0.000 0.275 87 E C -0.548 176.229 176.600 0.295 0.000 0.941 87 E CA -0.598 55.893 56.400 0.152 0.000 0.784 87 E CB 1.818 31.673 29.700 0.257 0.000 1.115 87 E HN 0.640 nan 8.360 nan 0.000 0.399 88 V N 1.017 121.071 119.914 0.233 0.000 3.019 88 V HA 0.724 4.911 4.120 0.111 0.000 0.317 88 V C -0.688 175.452 176.094 0.077 0.000 1.094 88 V CA -0.769 61.686 62.300 0.259 0.000 1.000 88 V CB 1.929 33.896 31.823 0.239 0.000 1.060 88 V HN 0.638 nan 8.190 nan 0.000 0.443 89 R N 2.252 122.794 120.500 0.071 0.000 2.651 89 R HA 0.528 4.935 4.340 0.111 0.000 0.278 89 R C -1.845 174.565 176.300 0.183 0.000 1.010 89 R CA -0.487 55.588 56.100 -0.042 0.000 0.896 89 R CB 2.338 32.350 30.300 -0.479 0.000 1.211 89 R HN 0.887 nan 8.270 nan 0.000 0.456 90 W N 1.253 122.548 121.300 -0.008 0.000 3.022 90 W HA 0.714 5.438 4.660 0.107 0.000 0.335 90 W C -1.513 175.025 176.519 0.031 0.000 1.133 90 W CA -0.403 56.931 57.345 -0.018 0.000 1.219 90 W CB 2.369 31.796 29.460 -0.056 0.000 1.409 90 W HN 0.682 nan 8.180 nan 0.000 0.507 91 A N 2.264 124.911 122.820 -0.288 0.000 2.539 91 A HA 0.551 4.938 4.320 0.111 0.000 0.296 91 A C -0.772 176.699 177.584 -0.188 0.000 1.073 91 A CA -0.461 51.480 52.037 -0.159 0.000 0.700 91 A CB 1.838 20.650 19.000 -0.313 0.000 1.296 91 A HN 0.397 nan 8.150 nan 0.000 0.405 92 S N -0.812 114.851 115.700 -0.060 0.000 2.584 92 S HA 0.225 4.762 4.470 0.111 0.000 0.270 92 S C 1.046 175.573 174.600 -0.122 0.000 1.346 92 S CA 0.151 58.340 58.200 -0.019 0.000 1.018 92 S CB 0.126 63.362 63.200 0.060 0.000 0.899 92 S HN 1.689 nan 8.310 nan 0.000 0.542 93 C N 3.073 122.307 119.300 -0.111 0.000 2.884 93 C HA 0.547 5.073 4.460 0.111 0.000 0.287 93 C C 0.306 175.353 174.990 0.095 0.000 1.310 93 C CA -0.996 58.017 59.018 -0.009 0.000 1.725 93 C CB -1.936 25.727 27.740 -0.128 0.000 2.060 93 C HN 0.712 nan 8.230 nan 0.000 0.618 94 N N 0.940 119.721 118.700 0.134 0.000 2.331 94 N HA 0.341 5.148 4.740 0.111 0.000 0.280 94 N C 0.551 176.037 175.510 -0.039 0.000 1.155 94 N CA -0.394 52.671 53.050 0.025 0.000 0.822 94 N CB 1.725 40.330 38.487 0.196 0.000 1.619 94 N HN 0.380 nan 8.380 nan 0.000 0.476 95 I N -0.878 119.498 120.570 -0.323 0.000 2.756 95 I HA 0.056 4.292 4.170 0.111 0.000 0.262 95 I C 0.199 176.120 176.117 -0.326 0.000 1.225 95 I CA 1.133 62.181 61.300 -0.419 0.000 1.472 95 I CB -0.171 37.438 38.000 -0.651 0.000 1.094 95 I HN 0.205 nan 8.210 nan 0.000 0.454 96 F N 0.954 120.926 119.950 0.037 0.000 2.746 96 F HA 0.211 4.805 4.527 0.112 0.000 0.313 96 F C 2.508 178.354 175.800 0.077 0.000 1.095 96 F CA 0.088 58.121 58.000 0.056 0.000 1.224 96 F CB -0.451 38.578 39.000 0.049 0.000 1.060 96 F HN 0.110 nan 8.300 nan 0.000 0.584 97 S N -1.431 114.419 115.700 0.250 0.000 2.522 97 S HA 0.001 4.538 4.470 0.111 0.000 0.227 97 S C 0.959 175.679 174.600 0.200 0.000 0.986 97 S CA 0.148 58.475 58.200 0.210 0.000 0.929 97 S CB -1.067 62.301 63.200 0.279 0.000 0.769 97 S HN 0.111 nan 8.310 nan 0.000 0.529 98 T N 3.189 117.858 114.554 0.192 0.000 2.940 98 T HA 0.139 4.556 4.350 0.111 0.000 0.309 98 T C -0.262 174.546 174.700 0.181 0.000 1.056 98 T CA 0.296 62.502 62.100 0.177 0.000 1.137 98 T CB 0.494 69.454 68.868 0.154 0.000 0.976 98 T HN 0.435 nan 8.240 nan 0.000 0.547 99 Q N 2.195 122.096 119.800 0.169 0.000 2.372 99 Q HA 0.192 4.598 4.340 0.111 0.000 0.259 99 Q C 0.387 176.514 176.000 0.212 0.000 0.993 99 Q CA -0.709 55.216 55.803 0.203 0.000 0.854 99 Q CB 1.296 30.166 28.738 0.220 0.000 1.231 99 Q HN 0.546 nan 8.270 nan 0.000 0.462 100 D N 1.495 122.034 120.400 0.232 0.000 2.116 100 D HA -0.229 4.477 4.640 0.111 0.000 0.193 100 D C 1.746 178.160 176.300 0.189 0.000 0.998 100 D CA 1.584 55.712 54.000 0.214 0.000 0.836 100 D CB 0.068 40.998 40.800 0.217 0.000 0.951 100 D HN 0.700 nan 8.370 nan 0.000 0.449 101 H N 0.832 119.898 119.070 -0.006 0.000 2.422 101 H HA 0.059 4.682 4.556 0.112 0.000 0.298 101 H C 1.786 177.033 175.328 -0.137 0.000 1.098 101 H CA 1.623 57.611 56.048 -0.098 0.000 1.315 101 H CB -0.649 28.937 29.762 -0.295 0.000 1.382 101 H HN 0.082 nan 8.280 nan 0.000 0.523 102 A N 1.897 124.456 122.820 -0.435 0.000 1.872 102 A HA 0.142 4.528 4.320 0.111 0.000 0.214 102 A C 2.879 180.342 177.584 -0.201 0.000 1.187 102 A CA 1.927 53.726 52.037 -0.397 0.000 0.614 102 A CB -1.155 17.657 19.000 -0.314 0.000 0.826 102 A HN 0.629 nan 8.150 nan 0.000 0.442 103 A N 0.176 122.944 122.820 -0.085 0.000 1.903 103 A HA -0.035 4.352 4.320 0.111 0.000 0.219 103 A C 2.521 180.058 177.584 -0.078 0.000 1.191 103 A CA 2.767 54.781 52.037 -0.038 0.000 0.638 103 A CB -1.163 17.882 19.000 0.075 0.000 0.823 103 A HN 1.137 nan 8.150 nan 0.000 0.451 104 A N -0.526 122.257 122.820 -0.062 0.000 1.873 104 A HA 0.203 4.589 4.320 0.111 0.000 0.215 104 A C 2.545 180.046 177.584 -0.139 0.000 1.186 104 A CA 2.155 54.140 52.037 -0.088 0.000 0.616 104 A CB -1.145 17.841 19.000 -0.024 0.000 0.823 104 A HN 1.236 nan 8.150 nan 0.000 0.442 105 A N -0.509 122.222 122.820 -0.148 0.000 1.978 105 A HA -0.010 4.377 4.320 0.111 0.000 0.220 105 A C 2.215 179.687 177.584 -0.186 0.000 1.170 105 A CA 1.835 53.772 52.037 -0.166 0.000 0.636 105 A CB -0.891 17.994 19.000 -0.192 0.000 0.810 105 A HN 0.369 nan 8.150 nan 0.000 0.448 106 V N -0.429 119.366 119.914 -0.199 0.000 2.237 106 V HA -0.251 3.935 4.120 0.111 0.000 0.245 106 V C 2.572 178.542 176.094 -0.206 0.000 1.046 106 V CA 2.121 64.293 62.300 -0.213 0.000 1.007 106 V CB -0.955 30.729 31.823 -0.232 0.000 0.638 106 V HN 0.380 nan 8.190 nan 0.000 0.445 107 V N -0.318 119.458 119.914 -0.230 0.000 2.332 107 V HA -0.230 3.957 4.120 0.111 0.000 0.248 107 V C 2.365 178.290 176.094 -0.283 0.000 1.055 107 V CA 1.933 64.047 62.300 -0.309 0.000 1.038 107 V CB -0.552 30.973 31.823 -0.497 0.000 0.651 107 V HN 0.412 nan 8.190 nan 0.000 0.450 108 V N -0.547 119.228 119.914 -0.232 0.000 2.591 108 V HA 0.240 4.427 4.120 0.111 0.000 0.249 108 V C 1.301 177.311 176.094 -0.139 0.000 1.053 108 V CA 1.138 63.332 62.300 -0.176 0.000 1.068 108 V CB -1.008 30.731 31.823 -0.141 0.000 0.689 108 V HN 0.827 nan 8.190 nan 0.000 0.462 109 G N 0.345 109.054 108.800 -0.152 0.000 2.814 109 G HA2 -0.156 3.871 3.960 0.111 0.000 0.677 109 G HA3 -0.156 3.871 3.960 0.111 0.000 0.677 109 G C -1.553 173.241 174.900 -0.176 0.000 1.429 109 G CA -0.126 44.886 45.100 -0.146 0.000 0.868 109 G HN 0.226 nan 8.290 nan 0.000 0.553 110 P HA -0.007 nan 4.420 nan 0.000 0.225 110 P C 0.790 177.791 177.300 -0.498 0.000 1.156 110 P CA 1.587 64.438 63.100 -0.416 0.000 0.787 110 P CB 0.061 31.423 31.700 -0.563 0.000 0.802 111 H N -1.798 117.245 119.070 -0.045 0.000 2.893 111 H HA 0.355 4.978 4.556 0.110 0.000 0.270 111 H C 1.276 176.582 175.328 -0.036 0.000 1.095 111 H CA 0.011 56.038 56.048 -0.034 0.000 1.186 111 H CB 0.371 30.116 29.762 -0.028 0.000 1.562 111 H HN 0.076 nan 8.280 nan 0.000 0.536 112 G N 0.872 109.684 108.800 0.020 0.000 2.543 112 G HA2 0.365 4.392 3.960 0.111 0.000 0.290 112 G HA3 0.365 4.392 3.960 0.111 0.000 0.290 112 G C 0.226 175.114 174.900 -0.020 0.000 1.310 112 G CA 0.049 45.145 45.100 -0.007 0.000 1.025 112 G HN 0.260 nan 8.290 nan 0.000 0.502 113 T N -3.179 111.358 114.554 -0.028 0.000 2.888 113 T HA 0.561 4.977 4.350 0.111 0.000 0.288 113 T C -2.089 172.583 174.700 -0.048 0.000 1.063 113 T CA -1.489 60.594 62.100 -0.027 0.000 1.010 113 T CB 2.148 71.010 68.868 -0.009 0.000 1.214 113 T HN 0.117 nan 8.240 nan 0.000 0.533 114 P HA -0.027 nan 4.420 nan 0.000 0.218 114 P C 0.767 178.047 177.300 -0.034 0.000 1.148 114 P CA 1.058 64.131 63.100 -0.045 0.000 0.822 114 P CB 0.058 31.749 31.700 -0.015 0.000 0.784 115 D N -1.059 119.332 120.400 -0.014 0.000 2.137 115 D HA -0.091 4.615 4.640 0.111 0.000 0.202 115 D C 0.891 177.191 176.300 -0.000 0.000 0.970 115 D CA 0.871 54.873 54.000 0.002 0.000 0.837 115 D CB -0.009 40.794 40.800 0.006 0.000 0.981 115 D HN 0.132 nan 8.370 nan 0.000 0.475 116 E N 0.549 120.741 120.200 -0.012 0.000 3.406 116 E HA 0.199 4.616 4.350 0.111 0.000 0.210 116 E C -2.521 174.058 176.600 -0.035 0.000 1.167 116 E CA -2.025 54.368 56.400 -0.012 0.000 1.132 116 E CB 0.839 30.538 29.700 -0.001 0.000 1.309 116 E HN 0.039 nan 8.360 nan 0.000 0.424 117 P HA -0.041 nan 4.420 nan 0.000 0.265 117 P C -0.637 176.614 177.300 -0.082 0.000 1.193 117 P CA 0.205 63.235 63.100 -0.116 0.000 0.765 117 P CB 0.696 32.259 31.700 -0.228 0.000 0.823 118 K N 1.857 122.211 120.400 -0.077 0.000 3.123 118 K HA 0.359 4.746 4.320 0.111 0.000 0.209 118 K C 0.715 177.278 176.600 -0.062 0.000 1.132 118 K CA -0.365 55.895 56.287 -0.045 0.000 0.992 118 K CB 1.115 33.611 32.500 -0.006 0.000 0.773 118 K HN 0.558 nan 8.250 nan 0.000 0.458 119 G N 0.378 109.118 108.800 -0.100 0.000 3.286 119 G HA2 0.531 4.558 3.960 0.111 0.000 0.166 119 G HA3 0.531 4.558 3.960 0.111 0.000 0.166 119 G C -0.572 174.265 174.900 -0.106 0.000 1.155 119 G CA -0.237 44.793 45.100 -0.116 0.000 0.871 119 G HN 0.057 nan 8.290 nan 0.000 0.637 120 V N -2.230 117.606 119.914 -0.130 0.000 2.960 120 V HA 0.765 4.952 4.120 0.111 0.000 0.315 120 V C -2.896 173.128 176.094 -0.117 0.000 1.087 120 V CA -2.653 59.587 62.300 -0.099 0.000 0.982 120 V CB 1.949 33.722 31.823 -0.083 0.000 1.039 120 V HN 0.409 nan 8.190 nan 0.000 0.437 121 P HA 0.346 nan 4.420 nan 0.000 0.266 121 P C -0.849 176.349 177.300 -0.171 0.000 1.215 121 P CA 0.172 63.186 63.100 -0.143 0.000 0.763 121 P CB 0.823 32.495 31.700 -0.046 0.000 0.806 122 V N 5.223 124.936 119.914 -0.334 0.000 2.577 122 V HA 0.409 4.595 4.120 0.111 0.000 0.303 122 V C -0.558 175.320 176.094 -0.360 0.000 1.042 122 V CA -0.337 61.862 62.300 -0.167 0.000 0.872 122 V CB 1.420 33.222 31.823 -0.034 0.000 0.998 122 V HN 0.301 nan 8.190 nan 0.000 0.423 123 F N 3.623 123.662 119.950 0.149 0.000 2.451 123 F HA 0.840 5.433 4.527 0.110 0.000 0.367 123 F C 0.384 176.257 175.800 0.122 0.000 1.100 123 F CA -0.315 57.794 58.000 0.181 0.000 1.171 123 F CB 1.466 40.437 39.000 -0.048 0.000 1.405 123 F HN 0.625 nan 8.300 nan 0.000 0.482 124 A N 2.492 125.522 122.820 0.349 0.000 2.590 124 A HA 0.737 5.124 4.320 0.111 0.000 0.296 124 A C -2.129 175.668 177.584 0.355 0.000 1.050 124 A CA -0.844 51.259 52.037 0.110 0.000 0.697 124 A CB 0.741 19.792 19.000 0.084 0.000 1.277 124 A HN 0.726 nan 8.150 nan 0.000 0.411 125 W N 0.779 122.184 121.300 0.174 0.000 3.146 125 W HA 0.715 5.442 4.660 0.112 0.000 0.319 125 W C -0.814 175.811 176.519 0.176 0.000 1.258 125 W CA -0.855 56.587 57.345 0.162 0.000 1.189 125 W CB 1.058 30.609 29.460 0.151 0.000 1.412 125 W HN 0.782 nan 8.180 nan 0.000 0.567 126 K N 1.866 122.474 120.400 0.347 0.000 2.383 126 K HA 0.461 4.847 4.320 0.111 0.000 0.286 126 K C 0.763 177.591 176.600 0.380 0.000 1.051 126 K CA 0.958 57.420 56.287 0.291 0.000 0.974 126 K CB 0.027 32.685 32.500 0.264 0.000 0.968 126 K HN 1.410 nan 8.250 nan 0.000 0.475 127 G N 3.170 112.191 108.800 0.369 0.000 2.226 127 G HA2 -0.190 3.837 3.960 0.111 0.000 0.176 127 G HA3 -0.190 3.837 3.960 0.111 0.000 0.176 127 G C -0.480 174.616 174.900 0.326 0.000 1.042 127 G CA -0.408 44.968 45.100 0.461 0.000 0.732 127 G HN 0.698 nan 8.290 nan 0.000 0.494 128 E N 0.936 121.156 120.200 0.033 0.000 2.436 128 E HA 0.392 4.809 4.350 0.111 0.000 0.262 128 E C 1.407 178.051 176.600 0.073 0.000 1.063 128 E CA 0.784 57.174 56.400 -0.015 0.000 0.944 128 E CB 0.557 30.064 29.700 -0.321 0.000 0.950 128 E HN 0.502 nan 8.360 nan 0.000 0.444 129 T N -0.658 113.993 114.554 0.161 0.000 2.849 129 T HA 0.173 4.590 4.350 0.111 0.000 0.284 129 T C 1.327 176.085 174.700 0.097 0.000 1.004 129 T CA -0.687 61.486 62.100 0.122 0.000 1.021 129 T CB 0.539 69.500 68.868 0.156 0.000 1.013 129 T HN 0.417 nan 8.240 nan 0.000 0.527 130 L N 0.303 121.579 121.223 0.087 0.000 2.127 130 L HA -0.096 4.310 4.340 0.111 0.000 0.211 130 L C 2.862 179.921 176.870 0.314 0.000 1.089 130 L CA 1.483 56.406 54.840 0.138 0.000 0.757 130 L CB -0.650 41.496 42.059 0.146 0.000 0.899 130 L HN 0.722 nan 8.230 nan 0.000 0.434 131 E N 0.366 120.725 120.200 0.264 0.000 2.051 131 E HA -0.210 4.207 4.350 0.111 0.000 0.192 131 E C 2.077 178.882 176.600 0.342 0.000 0.991 131 E CA 1.347 57.920 56.400 0.288 0.000 0.799 131 E CB -0.083 29.729 29.700 0.187 0.000 0.748 131 E HN 0.521 nan 8.360 nan 0.000 0.449 132 E N -0.681 119.699 120.200 0.301 0.000 2.158 132 E HA -0.152 4.265 4.350 0.111 0.000 0.191 132 E C 1.778 178.577 176.600 0.332 0.000 0.982 132 E CA 0.600 57.226 56.400 0.377 0.000 0.823 132 E CB -0.231 29.741 29.700 0.454 0.000 0.766 132 E HN 0.326 nan 8.360 nan 0.000 0.468 133 Y N 0.214 120.521 120.300 0.013 0.000 2.128 133 Y HA -0.267 4.349 4.550 0.111 0.000 0.284 133 Y C 1.589 177.380 175.900 -0.182 0.000 1.154 133 Y CA 1.711 59.679 58.100 -0.220 0.000 1.149 133 Y CB -0.263 37.957 38.460 -0.399 0.000 0.976 133 Y HN 0.031 nan 8.280 nan 0.000 0.505 134 W N -1.225 120.240 121.300 0.275 0.000 2.436 134 W HA -0.115 4.611 4.660 0.109 0.000 0.284 134 W C 2.225 178.788 176.519 0.074 0.000 1.225 134 W CA 0.794 58.241 57.345 0.169 0.000 1.271 134 W CB -0.831 28.778 29.460 0.248 0.000 1.114 134 W HN 0.321 nan 8.180 nan 0.000 0.559 135 W N 1.186 122.600 121.300 0.189 0.000 2.335 135 W HA -0.270 4.459 4.660 0.114 0.000 0.311 135 W C 2.296 178.796 176.519 -0.033 0.000 1.213 135 W CA 3.125 60.525 57.345 0.093 0.000 1.274 135 W CB -0.682 28.853 29.460 0.124 0.000 1.148 135 W HN -0.151 nan 8.180 nan 0.000 0.498 136 A N 0.489 123.235 122.820 -0.124 0.000 1.969 136 A HA 0.033 4.420 4.320 0.111 0.000 0.218 136 A C 2.061 179.314 177.584 -0.552 0.000 1.169 136 A CA 2.094 53.854 52.037 -0.462 0.000 0.635 136 A CB -1.416 17.507 19.000 -0.127 0.000 0.810 136 A HN 0.435 nan 8.150 nan 0.000 0.445 137 A N -0.133 122.398 122.820 -0.482 0.000 1.902 137 A HA -0.178 4.208 4.320 0.111 0.000 0.217 137 A C 2.023 179.467 177.584 -0.233 0.000 1.181 137 A CA 1.767 53.562 52.037 -0.404 0.000 0.623 137 A CB -0.474 18.294 19.000 -0.386 0.000 0.818 137 A HN 0.667 nan 8.150 nan 0.000 0.443 138 E N -0.835 119.259 120.200 -0.177 0.000 2.152 138 E HA -0.199 4.217 4.350 0.111 0.000 0.192 138 E C 1.981 178.357 176.600 -0.373 0.000 0.983 138 E CA 0.884 57.228 56.400 -0.094 0.000 0.818 138 E CB -0.084 29.628 29.700 0.021 0.000 0.758 138 E HN 0.520 nan 8.360 nan 0.000 0.467 139 Q N 0.341 119.675 119.800 -0.776 0.000 2.084 139 Q HA -0.190 4.217 4.340 0.111 0.000 0.202 139 Q C 2.114 177.537 176.000 -0.962 0.000 0.978 139 Q CA 1.333 56.446 55.803 -1.149 0.000 0.844 139 Q CB -0.499 26.969 28.738 -2.117 0.000 0.898 139 Q HN 0.431 nan 8.270 nan 0.000 0.426 140 M N -0.087 119.087 119.600 -0.709 0.000 2.229 140 M HA -0.082 4.465 4.480 0.111 0.000 0.264 140 M C 1.502 177.634 176.300 -0.281 0.000 1.063 140 M CA 1.341 56.393 55.300 -0.414 0.000 1.114 140 M CB -0.301 32.116 32.600 -0.305 0.000 1.387 140 M HN 0.177 nan 8.290 nan 0.000 0.420 141 L N 0.169 121.295 121.223 -0.160 0.000 2.558 141 L HA 0.049 4.455 4.340 0.111 0.000 0.225 141 L C 0.114 177.028 176.870 0.073 0.000 1.128 141 L CA 0.161 55.034 54.840 0.054 0.000 0.868 141 L CB -0.080 42.114 42.059 0.226 0.000 1.006 141 L HN 0.126 nan 8.230 nan 0.000 0.454 142 T N -0.222 114.255 114.554 -0.129 0.000 2.801 142 T HA 0.225 4.641 4.350 0.111 0.000 0.306 142 T C -0.840 173.777 174.700 -0.139 0.000 1.020 142 T CA -0.395 61.633 62.100 -0.119 0.000 0.948 142 T CB 0.258 68.997 68.868 -0.215 0.000 0.962 142 T HN 0.013 nan 8.240 nan 0.000 0.465 143 W N 3.463 124.694 121.300 -0.115 0.000 2.375 143 W HA 0.371 5.104 4.660 0.121 0.000 0.336 143 W C -1.349 175.133 176.519 -0.062 0.000 1.160 143 W CA -1.943 55.360 57.345 -0.071 0.000 1.266 143 W CB -0.006 29.417 29.460 -0.062 0.000 1.195 143 W HN 0.463 nan 8.180 nan 0.000 0.599 144 P HA -0.187 nan 4.420 nan 0.000 0.214 144 P C 0.077 177.423 177.300 0.077 0.000 1.163 144 P CA 1.540 64.694 63.100 0.090 0.000 0.883 144 P CB 0.105 31.862 31.700 0.095 0.000 0.788 145 D N -1.132 119.328 120.400 0.100 0.000 2.295 145 D HA 0.088 4.795 4.640 0.111 0.000 0.248 145 D C -1.798 174.521 176.300 0.033 0.000 1.154 145 D CA -2.344 51.688 54.000 0.053 0.000 0.857 145 D CB 0.956 41.785 40.800 0.048 0.000 1.117 145 D HN -0.052 nan 8.370 nan 0.000 0.468 146 P HA -0.011 nan 4.420 nan 0.000 0.228 146 P C 0.267 177.549 177.300 -0.030 0.000 1.151 146 P CA 0.632 63.719 63.100 -0.021 0.000 0.770 146 P CB 0.460 32.139 31.700 -0.033 0.000 0.786 147 D N -0.502 119.884 120.400 -0.023 0.000 2.366 147 D HA 0.012 4.718 4.640 0.111 0.000 0.205 147 D C 0.649 176.922 176.300 -0.045 0.000 1.022 147 D CA 0.640 54.622 54.000 -0.030 0.000 0.868 147 D CB 0.112 40.899 40.800 -0.020 0.000 0.953 147 D HN 0.359 nan 8.370 nan 0.000 0.514 148 K N 1.371 121.740 120.400 -0.053 0.000 2.533 148 K HA 0.387 4.774 4.320 0.111 0.000 0.207 148 K C -2.832 173.658 176.600 -0.185 0.000 1.052 148 K CA -1.575 54.646 56.287 -0.110 0.000 1.030 148 K CB 1.665 34.101 32.500 -0.105 0.000 1.522 148 K HN -0.129 nan 8.250 nan 0.000 0.543 149 P HA 0.033 nan 4.420 nan 0.000 0.289 149 P C -0.234 176.750 177.300 -0.526 0.000 1.299 149 P CA -0.560 62.413 63.100 -0.212 0.000 0.766 149 P CB 0.413 32.047 31.700 -0.109 0.000 1.226 150 A N 1.261 123.753 122.820 -0.547 0.000 2.580 150 A HA -0.039 4.347 4.320 0.111 0.000 0.244 150 A C 0.879 178.238 177.584 -0.374 0.000 1.045 150 A CA 0.471 52.175 52.037 -0.555 0.000 0.761 150 A CB -1.146 17.841 19.000 -0.021 0.000 0.962 150 A HN 0.717 nan 8.150 nan 0.000 0.512 151 N N 1.242 119.698 118.700 -0.407 0.000 2.184 151 N HA 0.236 5.042 4.740 0.111 0.000 0.206 151 N C -0.282 175.109 175.510 -0.200 0.000 1.151 151 N CA 0.085 52.997 53.050 -0.230 0.000 0.878 151 N CB 0.436 38.852 38.487 -0.118 0.000 1.014 151 N HN 0.528 nan 8.380 nan 0.000 0.512 152 M N 0.598 120.042 119.600 -0.260 0.000 2.471 152 M HA 0.392 4.938 4.480 0.111 0.000 0.284 152 M C -1.789 174.403 176.300 -0.180 0.000 1.203 152 M CA -0.403 54.764 55.300 -0.222 0.000 0.915 152 M CB 2.957 35.421 32.600 -0.227 0.000 1.734 152 M HN -0.122 nan 8.290 nan 0.000 0.485 153 I N 2.896 123.357 120.570 -0.182 0.000 2.436 153 I HA 0.471 4.707 4.170 0.111 0.000 0.289 153 I C -1.131 174.914 176.117 -0.120 0.000 1.010 153 I CA -0.753 60.459 61.300 -0.146 0.000 1.098 153 I CB 2.350 40.263 38.000 -0.146 0.000 1.266 153 I HN 0.543 nan 8.210 nan 0.000 0.434 154 L N 6.090 127.225 121.223 -0.148 0.000 2.294 154 L HA 0.498 4.905 4.340 0.111 0.000 0.283 154 L C -1.169 175.580 176.870 -0.200 0.000 1.015 154 L CA -0.106 54.656 54.840 -0.131 0.000 0.831 154 L CB 0.891 42.905 42.059 -0.075 0.000 1.217 154 L HN 0.515 nan 8.230 nan 0.000 0.420 155 D N 2.657 122.987 120.400 -0.117 0.000 2.619 155 D HA 0.346 5.053 4.640 0.111 0.000 0.241 155 D C -1.623 174.629 176.300 -0.081 0.000 1.087 155 D CA -0.211 53.722 54.000 -0.111 0.000 0.851 155 D CB 2.365 43.134 40.800 -0.053 0.000 1.474 155 D HN 0.404 nan 8.370 nan 0.000 0.478 156 D N 1.133 121.475 120.400 -0.097 0.000 2.476 156 D HA 0.510 5.217 4.640 0.111 0.000 0.251 156 D C 0.759 176.953 176.300 -0.177 0.000 1.291 156 D CA 0.103 54.030 54.000 -0.121 0.000 0.939 156 D CB 0.624 41.380 40.800 -0.074 0.000 1.221 156 D HN 0.524 nan 8.370 nan 0.000 0.567 157 G N 2.351 110.961 108.800 -0.316 0.000 2.254 157 G HA2 -0.042 3.984 3.960 0.111 0.000 0.225 157 G HA3 -0.042 3.984 3.960 0.111 0.000 0.225 157 G C 1.080 176.039 174.900 0.098 0.000 1.003 157 G CA 0.425 45.375 45.100 -0.250 0.000 0.622 157 G HN 1.676 nan 8.290 nan 0.000 0.507 158 G N -0.245 108.605 108.800 0.084 0.000 2.137 158 G HA2 -0.214 3.813 3.960 0.111 0.000 0.237 158 G HA3 -0.214 3.813 3.960 0.111 0.000 0.237 158 G C 0.590 175.622 174.900 0.220 0.000 1.002 158 G CA 1.155 46.341 45.100 0.144 0.000 0.702 158 G HN 0.644 nan 8.290 nan 0.000 0.515 159 D N 0.142 120.686 120.400 0.239 0.000 2.162 159 D HA 0.175 4.881 4.640 0.111 0.000 0.203 159 D C 2.674 179.148 176.300 0.291 0.000 0.967 159 D CA 1.405 55.609 54.000 0.340 0.000 0.840 159 D CB -0.449 40.529 40.800 0.296 0.000 0.972 159 D HN 0.622 nan 8.370 nan 0.000 0.482 160 A N 0.392 123.286 122.820 0.123 0.000 1.865 160 A HA -0.182 4.204 4.320 0.111 0.000 0.217 160 A C 2.362 180.000 177.584 0.090 0.000 1.191 160 A CA 2.230 54.305 52.037 0.064 0.000 0.623 160 A CB -0.998 17.976 19.000 -0.043 0.000 0.826 160 A HN 0.206 nan 8.150 nan 0.000 0.444 161 T N -0.176 114.435 114.554 0.094 0.000 2.708 161 T HA -0.187 4.229 4.350 0.111 0.000 0.266 161 T C 1.978 176.699 174.700 0.034 0.000 1.037 161 T CA 1.812 63.961 62.100 0.082 0.000 1.146 161 T CB -0.348 68.566 68.868 0.077 0.000 0.865 161 T HN 0.579 nan 8.240 nan 0.000 0.435 162 M N 0.657 120.346 119.600 0.148 0.000 2.108 162 M HA -0.091 4.456 4.480 0.111 0.000 0.261 162 M C 2.135 178.539 176.300 0.173 0.000 1.066 162 M CA 1.571 57.002 55.300 0.219 0.000 1.107 162 M CB -0.301 32.439 32.600 0.234 0.000 1.356 162 M HN 0.203 nan 8.290 nan 0.000 0.406 163 L N 0.201 121.528 121.223 0.173 0.000 2.046 163 L HA -0.107 4.300 4.340 0.111 0.000 0.208 163 L C 2.123 178.729 176.870 -0.441 0.000 1.077 163 L CA 1.491 56.305 54.840 -0.044 0.000 0.747 163 L CB -0.611 41.440 42.059 -0.014 0.000 0.896 163 L HN 0.237 nan 8.230 nan 0.000 0.432 164 V N -0.519 119.277 119.914 -0.196 0.000 2.270 164 V HA -0.277 3.909 4.120 0.111 0.000 0.245 164 V C 2.431 178.475 176.094 -0.083 0.000 1.043 164 V CA 2.049 64.311 62.300 -0.064 0.000 1.014 164 V CB -0.527 31.404 31.823 0.181 0.000 0.645 164 V HN 0.408 nan 8.190 nan 0.000 0.447 165 L N -0.920 120.219 121.223 -0.140 0.000 2.131 165 L HA -0.024 4.382 4.340 0.111 0.000 0.206 165 L C 2.812 179.580 176.870 -0.170 0.000 1.087 165 L CA 0.932 55.648 54.840 -0.208 0.000 0.767 165 L CB -0.623 41.102 42.059 -0.556 0.000 0.917 165 L HN 0.190 nan 8.230 nan 0.000 0.441 166 R N 0.596 121.006 120.500 -0.150 0.000 2.092 166 R HA -0.048 4.358 4.340 0.111 0.000 0.231 166 R C 2.248 178.153 176.300 -0.657 0.000 1.119 166 R CA 1.365 57.239 56.100 -0.377 0.000 0.970 166 R CB -1.118 29.117 30.300 -0.109 0.000 0.864 166 R HN 0.386 nan 8.270 nan 0.000 0.440 167 G N 0.548 109.061 108.800 -0.477 0.000 2.484 167 G HA2 -0.215 3.812 3.960 0.111 0.000 0.218 167 G HA3 -0.215 3.812 3.960 0.111 0.000 0.218 167 G C 1.472 176.365 174.900 -0.011 0.000 1.130 167 G CA 0.377 45.214 45.100 -0.438 0.000 0.784 167 G HN 0.255 nan 8.290 nan 0.000 0.543 168 M N -0.309 119.290 119.600 -0.002 0.000 2.216 168 M HA 0.085 4.631 4.480 0.111 0.000 0.264 168 M C 2.571 178.877 176.300 0.011 0.000 1.080 168 M CA 1.400 56.760 55.300 0.100 0.000 1.153 168 M CB -0.122 32.535 32.600 0.095 0.000 1.356 168 M HN 0.286 nan 8.290 nan 0.000 0.432 169 Q N -0.381 119.347 119.800 -0.120 0.000 2.152 169 Q HA -0.240 4.166 4.340 0.111 0.000 0.206 169 Q C 1.460 177.420 176.000 -0.067 0.000 0.985 169 Q CA 2.065 57.782 55.803 -0.143 0.000 0.863 169 Q CB -0.231 28.343 28.738 -0.273 0.000 0.904 169 Q HN 0.640 nan 8.270 nan 0.000 0.422 170 Y N 0.473 120.736 120.300 -0.062 0.000 2.457 170 Y HA -0.012 4.606 4.550 0.114 0.000 0.292 170 Y C 1.859 177.605 175.900 -0.256 0.000 1.125 170 Y CA 0.818 58.809 58.100 -0.180 0.000 1.254 170 Y CB -0.088 38.219 38.460 -0.255 0.000 1.012 170 Y HN 0.244 nan 8.280 nan 0.000 0.555 171 E N -0.133 120.116 120.200 0.083 0.000 2.122 171 E HA -0.089 4.328 4.350 0.111 0.000 0.190 171 E C 1.877 178.588 176.600 0.185 0.000 0.977 171 E CA 0.518 57.053 56.400 0.225 0.000 0.820 171 E CB 0.070 29.990 29.700 0.366 0.000 0.770 171 E HN 0.356 nan 8.360 nan 0.000 0.462 172 K N 0.187 120.657 120.400 0.117 0.000 2.243 172 K HA 0.059 4.446 4.320 0.111 0.000 0.201 172 K C 1.952 178.597 176.600 0.074 0.000 1.051 172 K CA 0.693 57.036 56.287 0.094 0.000 0.970 172 K CB 0.208 32.749 32.500 0.069 0.000 0.755 172 K HN -0.010 nan 8.250 nan 0.000 0.465 173 A N 0.267 123.124 122.820 0.062 0.000 2.016 173 A HA 0.100 4.487 4.320 0.111 0.000 0.217 173 A C 1.651 179.255 177.584 0.032 0.000 1.162 173 A CA 1.567 53.634 52.037 0.051 0.000 0.662 173 A CB -0.218 18.825 19.000 0.072 0.000 0.812 173 A HN 0.424 nan 8.150 nan 0.000 0.450 174 G N -2.557 106.252 108.800 0.015 0.000 2.339 174 G HA2 -0.092 3.935 3.960 0.111 0.000 0.209 174 G HA3 -0.092 3.935 3.960 0.111 0.000 0.209 174 G C 0.253 175.070 174.900 -0.140 0.000 1.015 174 G CA 0.287 45.414 45.100 0.045 0.000 0.635 174 G HN 1.466 nan 8.290 nan 0.000 0.499 175 V N 1.324 121.083 119.914 -0.258 0.000 2.760 175 V HA 0.709 4.896 4.120 0.111 0.000 0.309 175 V C -0.171 175.644 176.094 -0.465 0.000 1.077 175 V CA -0.660 61.421 62.300 -0.366 0.000 0.910 175 V CB 2.141 33.864 31.823 -0.166 0.000 1.008 175 V HN 0.574 nan 8.190 nan 0.000 0.424 176 V N 9.148 128.706 119.914 -0.593 0.000 2.455 176 V HA 0.315 4.501 4.120 0.111 0.000 0.273 176 V C -1.908 173.858 176.094 -0.547 0.000 1.045 176 V CA -1.046 60.834 62.300 -0.700 0.000 0.976 176 V CB 1.109 32.612 31.823 -0.533 0.000 0.993 176 V HN 0.858 nan 8.190 nan 0.000 0.475 177 P HA 0.236 nan 4.420 nan 0.000 0.272 177 P C -2.380 174.767 177.300 -0.256 0.000 1.230 177 P CA -1.028 61.864 63.100 -0.347 0.000 0.788 177 P CB -0.187 31.343 31.700 -0.283 0.000 0.949 178 P HA 0.218 nan 4.420 nan 0.000 0.274 178 P C -1.170 176.103 177.300 -0.045 0.000 1.260 178 P CA -0.116 62.930 63.100 -0.090 0.000 0.793 178 P CB 0.438 32.109 31.700 -0.047 0.000 1.048 179 A N 0.341 123.154 122.820 -0.012 0.000 2.355 179 A HA 0.453 4.839 4.320 0.111 0.000 0.317 179 A C 0.771 178.392 177.584 0.063 0.000 1.094 179 A CA -0.661 51.424 52.037 0.080 0.000 0.764 179 A CB 0.940 19.993 19.000 0.087 0.000 1.230 179 A HN 0.582 nan 8.150 nan 0.000 0.448 180 E N 2.203 122.449 120.200 0.078 0.000 4.191 180 E HA 0.038 4.454 4.350 0.111 0.000 0.576 180 E C -0.035 176.592 176.600 0.046 0.000 0.354 180 E CA 0.581 57.009 56.400 0.046 0.000 3.711 180 E CB -0.194 29.526 29.700 0.034 0.000 2.371 180 E HN 0.657 nan 8.360 nan 0.000 0.331 181 E N 0.845 121.066 120.200 0.034 0.000 2.062 181 E HA -0.033 4.383 4.350 0.111 0.000 0.196 181 E C 1.176 177.796 176.600 0.034 0.000 0.949 181 E CA 0.939 57.358 56.400 0.031 0.000 0.889 181 E CB -0.610 29.102 29.700 0.019 0.000 0.928 181 E HN 0.468 nan 8.360 nan 0.000 0.476 182 D N 1.600 122.010 120.400 0.017 0.000 2.368 182 D HA -0.022 4.685 4.640 0.111 0.000 0.250 182 D C -0.651 175.646 176.300 -0.005 0.000 1.142 182 D CA 0.164 54.166 54.000 0.004 0.000 0.925 182 D CB -0.552 40.241 40.800 -0.012 0.000 0.896 182 D HN -0.008 nan 8.370 nan 0.000 0.525 183 D N 1.503 121.921 120.400 0.031 0.000 2.390 183 D HA 0.137 4.843 4.640 0.111 0.000 0.249 183 D C -2.032 174.320 176.300 0.087 0.000 1.144 183 D CA -1.657 52.379 54.000 0.060 0.000 0.880 183 D CB 0.521 41.465 40.800 0.239 0.000 1.182 183 D HN 0.061 nan 8.370 nan 0.000 0.451 184 P HA -0.027 nan 4.420 nan 0.000 0.267 184 P C 0.278 177.653 177.300 0.124 0.000 1.201 184 P CA -0.087 63.053 63.100 0.067 0.000 0.775 184 P CB 0.610 32.329 31.700 0.032 0.000 0.854 185 A N 2.182 125.057 122.820 0.090 0.000 2.024 185 A HA -0.242 4.145 4.320 0.111 0.000 0.220 185 A C 2.102 179.761 177.584 0.124 0.000 1.164 185 A CA 1.933 54.028 52.037 0.097 0.000 0.643 185 A CB -1.053 17.995 19.000 0.081 0.000 0.806 185 A HN 0.691 nan 8.150 nan 0.000 0.451 186 E N -1.356 118.928 120.200 0.140 0.000 2.112 186 E HA -0.145 4.272 4.350 0.111 0.000 0.190 186 E C 1.823 178.533 176.600 0.182 0.000 0.979 186 E CA 0.517 57.031 56.400 0.190 0.000 0.814 186 E CB -0.263 29.550 29.700 0.187 0.000 0.762 186 E HN 0.804 nan 8.360 nan 0.000 0.460 187 W N 1.943 123.227 121.300 -0.027 0.000 2.335 187 W HA -0.237 4.488 4.660 0.109 0.000 0.311 187 W C 1.650 178.183 176.519 0.023 0.000 1.213 187 W CA 1.428 58.762 57.345 -0.018 0.000 1.274 187 W CB 0.019 29.457 29.460 -0.036 0.000 1.148 187 W HN 0.027 nan 8.180 nan 0.000 0.498 188 K N 0.022 120.471 120.400 0.081 0.000 2.000 188 K HA -0.251 4.135 4.320 0.111 0.000 0.218 188 K C 1.709 178.247 176.600 -0.103 0.000 1.053 188 K CA 2.299 58.564 56.287 -0.036 0.000 0.946 188 K CB -1.138 31.383 32.500 0.035 0.000 0.723 188 K HN 0.043 nan 8.250 nan 0.000 0.446 189 V N 1.523 121.423 119.914 -0.024 0.000 2.252 189 V HA -0.280 3.906 4.120 0.111 0.000 0.249 189 V C 2.110 178.079 176.094 -0.208 0.000 1.056 189 V CA 2.034 64.324 62.300 -0.016 0.000 1.022 189 V CB -0.650 31.272 31.823 0.165 0.000 0.641 189 V HN 0.236 nan 8.190 nan 0.000 0.445 190 F N 0.480 120.050 119.950 -0.633 0.000 2.027 190 F HA -0.279 4.314 4.527 0.109 0.000 0.297 190 F C 2.137 177.524 175.800 -0.688 0.000 1.129 190 F CA 2.083 59.478 58.000 -1.007 0.000 1.195 190 F CB -0.560 37.807 39.000 -1.055 0.000 0.960 190 F HN 0.013 nan 8.300 nan 0.000 0.485 191 L N -0.011 120.784 121.223 -0.714 0.000 2.046 191 L HA -0.272 4.134 4.340 0.111 0.000 0.208 191 L C 2.292 178.886 176.870 -0.460 0.000 1.077 191 L CA 1.438 55.849 54.840 -0.715 0.000 0.747 191 L CB -0.935 40.714 42.059 -0.683 0.000 0.896 191 L HN 0.199 nan 8.230 nan 0.000 0.432 192 N N 0.297 118.812 118.700 -0.309 0.000 2.132 192 N HA -0.255 4.551 4.740 0.111 0.000 0.191 192 N C 1.763 177.183 175.510 -0.149 0.000 1.015 192 N CA 1.385 54.330 53.050 -0.175 0.000 0.864 192 N CB -0.382 38.051 38.487 -0.090 0.000 1.006 192 N HN 0.289 nan 8.380 nan 0.000 0.430 193 L N 0.128 121.229 121.223 -0.203 0.000 2.056 193 L HA -0.024 4.383 4.340 0.111 0.000 0.207 193 L C 1.889 178.697 176.870 -0.104 0.000 1.078 193 L CA 1.066 55.839 54.840 -0.112 0.000 0.749 193 L CB -0.125 41.865 42.059 -0.115 0.000 0.901 193 L HN 0.112 nan 8.230 nan 0.000 0.433 194 L N -0.705 120.360 121.223 -0.264 0.000 2.156 194 L HA -0.119 4.287 4.340 0.111 0.000 0.208 194 L C 2.769 179.621 176.870 -0.029 0.000 1.095 194 L CA 0.898 55.648 54.840 -0.151 0.000 0.770 194 L CB -0.460 41.378 42.059 -0.368 0.000 0.914 194 L HN 0.270 nan 8.230 nan 0.000 0.439 195 R N -0.051 120.375 120.500 -0.123 0.000 2.070 195 R HA -0.151 4.256 4.340 0.111 0.000 0.233 195 R C 2.274 178.601 176.300 0.046 0.000 1.137 195 R CA 2.162 58.224 56.100 -0.063 0.000 0.945 195 R CB -0.253 29.970 30.300 -0.128 0.000 0.845 195 R HN 0.267 nan 8.270 nan 0.000 0.430 196 T N 0.552 115.120 114.554 0.022 0.000 2.746 196 T HA -0.157 4.260 4.350 0.111 0.000 0.267 196 T C 1.727 176.473 174.700 0.076 0.000 1.039 196 T CA 1.439 63.566 62.100 0.045 0.000 1.142 196 T CB -0.340 68.550 68.868 0.036 0.000 0.866 196 T HN 0.177 nan 8.240 nan 0.000 0.444 197 R N 0.914 121.478 120.500 0.106 0.000 2.117 197 R HA -0.049 4.358 4.340 0.111 0.000 0.243 197 R C 1.893 178.286 176.300 0.153 0.000 1.143 197 R CA 1.353 57.535 56.100 0.138 0.000 0.968 197 R CB -1.283 29.166 30.300 0.249 0.000 0.863 197 R HN 0.425 nan 8.270 nan 0.000 0.444 198 F N 1.257 121.229 119.950 0.036 0.000 2.206 198 F HA -0.021 4.572 4.527 0.110 0.000 0.298 198 F C 1.797 177.600 175.800 0.005 0.000 1.090 198 F CA 1.645 59.663 58.000 0.029 0.000 1.323 198 F CB -0.152 38.864 39.000 0.026 0.000 1.028 198 F HN 0.162 nan 8.300 nan 0.000 0.492 199 E N -0.912 119.331 120.200 0.072 0.000 2.130 199 E HA -0.252 4.164 4.350 0.111 0.000 0.196 199 E C 1.862 178.408 176.600 -0.089 0.000 0.998 199 E CA 1.977 58.369 56.400 -0.014 0.000 0.806 199 E CB -0.313 29.399 29.700 0.020 0.000 0.738 199 E HN 0.507 nan 8.360 nan 0.000 0.459 200 T N -3.032 111.472 114.554 -0.082 0.000 3.023 200 T HA 0.085 4.502 4.350 0.111 0.000 0.253 200 T C 0.210 174.831 174.700 -0.132 0.000 1.038 200 T CA -0.264 61.782 62.100 -0.090 0.000 0.962 200 T CB 0.664 69.502 68.868 -0.050 0.000 1.018 200 T HN -0.161 nan 8.240 nan 0.000 0.521 201 D N 0.332 120.620 120.400 -0.186 0.000 2.419 201 D HA 0.246 4.953 4.640 0.111 0.000 0.219 201 D C 0.018 176.160 176.300 -0.262 0.000 1.349 201 D CA -0.334 53.551 54.000 -0.191 0.000 0.964 201 D CB 1.666 42.375 40.800 -0.151 0.000 1.463 201 D HN -0.165 nan 8.370 nan 0.000 0.573 202 K N 1.131 121.340 120.400 -0.318 0.000 2.379 202 K HA 0.093 4.480 4.320 0.111 0.000 0.194 202 K C 0.404 176.983 176.600 -0.035 0.000 1.031 202 K CA 0.448 56.478 56.287 -0.428 0.000 1.037 202 K CB 0.540 32.795 32.500 -0.409 0.000 0.824 202 K HN 0.422 nan 8.250 nan 0.000 0.516 203 D N -1.015 119.364 120.400 -0.035 0.000 2.785 203 D HA 0.051 4.757 4.640 0.111 0.000 0.324 203 D C 0.908 177.175 176.300 -0.055 0.000 1.523 203 D CA -0.345 53.670 54.000 0.025 0.000 0.789 203 D CB 0.157 40.966 40.800 0.015 0.000 1.171 203 D HN -0.180 nan 8.370 nan 0.000 0.447 204 K N 0.054 120.352 120.400 -0.170 0.000 2.009 204 K HA -0.140 4.246 4.320 0.111 0.000 0.210 204 K C 0.722 177.061 176.600 -0.435 0.000 1.049 204 K CA 1.606 57.626 56.287 -0.445 0.000 0.929 204 K CB -0.028 31.979 32.500 -0.822 0.000 0.714 204 K HN 0.276 nan 8.250 nan 0.000 0.440 205 W N 0.385 121.714 121.300 0.048 0.000 2.481 205 W HA -0.011 4.713 4.660 0.107 0.000 0.293 205 W C 2.350 178.896 176.519 0.046 0.000 1.201 205 W CA 0.657 58.026 57.345 0.041 0.000 1.328 205 W CB -0.574 28.907 29.460 0.036 0.000 1.112 205 W HN 0.045 nan 8.180 nan 0.000 0.546 206 T N 0.973 115.672 114.554 0.242 0.000 2.653 206 T HA -0.265 4.152 4.350 0.111 0.000 0.268 206 T C 1.582 176.343 174.700 0.101 0.000 1.035 206 T CA 1.828 64.019 62.100 0.152 0.000 1.154 206 T CB -0.330 68.610 68.868 0.121 0.000 0.862 206 T HN 0.148 nan 8.240 nan 0.000 0.441 207 K N 0.270 120.698 120.400 0.047 0.000 2.097 207 K HA 0.074 4.461 4.320 0.111 0.000 0.205 207 K C 2.284 178.892 176.600 0.012 0.000 1.050 207 K CA 0.928 57.221 56.287 0.010 0.000 0.938 207 K CB -0.287 32.193 32.500 -0.034 0.000 0.718 207 K HN 0.354 nan 8.250 nan 0.000 0.442 208 I N 1.015 121.601 120.570 0.026 0.000 2.179 208 I HA -0.256 3.980 4.170 0.111 0.000 0.242 208 I C 2.423 178.587 176.117 0.078 0.000 1.088 208 I CA 1.073 62.399 61.300 0.043 0.000 1.357 208 I CB -0.330 37.731 38.000 0.102 0.000 1.051 208 I HN 0.110 nan 8.210 nan 0.000 0.409 209 A N 0.330 123.257 122.820 0.179 0.000 2.070 209 A HA -0.188 4.198 4.320 0.111 0.000 0.220 209 A C 2.058 179.799 177.584 0.262 0.000 1.159 209 A CA 1.550 53.768 52.037 0.302 0.000 0.656 209 A CB -0.494 18.692 19.000 0.310 0.000 0.800 209 A HN 0.540 nan 8.150 nan 0.000 0.453 210 E N -1.043 119.239 120.200 0.136 0.000 2.452 210 E HA 0.014 4.431 4.350 0.111 0.000 0.197 210 E C 1.784 178.412 176.600 0.047 0.000 1.022 210 E CA 0.577 57.038 56.400 0.102 0.000 0.890 210 E CB 0.065 29.807 29.700 0.071 0.000 0.918 210 E HN 0.510 nan 8.360 nan 0.000 0.496 211 S N 0.514 116.216 115.700 0.004 0.000 2.406 211 S HA 0.002 4.539 4.470 0.111 0.000 0.224 211 S C 0.989 175.539 174.600 -0.084 0.000 1.030 211 S CA 0.031 58.204 58.200 -0.045 0.000 0.958 211 S CB 0.251 63.403 63.200 -0.079 0.000 0.811 211 S HN -0.043 nan 8.310 nan 0.000 0.489 212 V N 3.950 123.763 119.914 -0.168 0.000 2.479 212 V HA 0.147 4.334 4.120 0.111 0.000 0.281 212 V C 0.973 176.904 176.094 -0.272 0.000 1.031 212 V CA -0.022 62.064 62.300 -0.358 0.000 1.038 212 V CB 1.254 32.603 31.823 -0.791 0.000 0.981 212 V HN 0.368 nan 8.190 nan 0.000 0.478 213 K N 3.764 124.086 120.400 -0.131 0.000 2.116 213 K HA 0.207 4.594 4.320 0.111 0.000 0.203 213 K C 0.798 177.393 176.600 -0.008 0.000 1.052 213 K CA 0.951 57.237 56.287 -0.002 0.000 0.952 213 K CB 0.286 32.852 32.500 0.110 0.000 0.729 213 K HN 0.786 nan 8.250 nan 0.000 0.446 214 G N 0.176 108.906 108.800 -0.116 0.000 2.673 214 G HA2 0.379 4.405 3.960 0.111 0.000 0.292 214 G HA3 0.379 4.405 3.960 0.111 0.000 0.292 214 G C -1.860 172.971 174.900 -0.114 0.000 1.450 214 G CA -0.562 44.513 45.100 -0.042 0.000 0.837 214 G HN -0.058 nan 8.290 nan 0.000 0.505 215 V N 0.509 120.453 119.914 0.051 0.000 2.547 215 V HA 0.860 5.046 4.120 0.111 0.000 0.299 215 V C 0.158 176.263 176.094 0.017 0.000 1.040 215 V CA 0.024 62.341 62.300 0.028 0.000 0.913 215 V CB 1.974 33.875 31.823 0.129 0.000 0.992 215 V HN 1.280 nan 8.190 nan 0.000 0.449 216 T N 2.556 117.103 114.554 -0.010 0.000 2.792 216 T HA 0.692 5.108 4.350 0.111 0.000 0.280 216 T C -0.743 173.954 174.700 -0.005 0.000 0.990 216 T CA -0.607 61.491 62.100 -0.003 0.000 0.960 216 T CB 1.537 70.402 68.868 -0.005 0.000 0.939 216 T HN 0.753 nan 8.240 nan 0.000 0.439 217 E N 1.645 121.841 120.200 -0.006 0.000 2.176 217 E HA 0.316 4.733 4.350 0.111 0.000 0.267 217 E C 0.636 177.226 176.600 -0.016 0.000 0.893 217 E CA -0.660 55.725 56.400 -0.023 0.000 0.761 217 E CB 1.658 31.329 29.700 -0.047 0.000 1.133 217 E HN 0.698 nan 8.360 nan 0.000 0.409 218 E N 2.386 122.578 120.200 -0.012 0.000 2.086 218 E HA -0.005 4.412 4.350 0.111 0.000 0.190 218 E C -0.100 176.489 176.600 -0.017 0.000 0.975 218 E CA 0.649 57.065 56.400 0.026 0.000 0.813 218 E CB 0.470 30.224 29.700 0.090 0.000 0.768 218 E HN 0.506 nan 8.360 nan 0.000 0.457 219 T N -1.058 113.438 114.554 -0.096 0.000 2.940 219 T HA 0.162 4.579 4.350 0.111 0.000 0.288 219 T C 0.940 175.559 174.700 -0.135 0.000 1.033 219 T CA -0.316 61.704 62.100 -0.133 0.000 1.033 219 T CB 1.650 70.365 68.868 -0.255 0.000 1.079 219 T HN -0.013 nan 8.240 nan 0.000 0.496 220 T N 2.321 116.816 114.554 -0.097 0.000 2.620 220 T HA -0.180 4.236 4.350 0.111 0.000 0.267 220 T C 1.998 176.646 174.700 -0.086 0.000 1.044 220 T CA 2.423 64.484 62.100 -0.066 0.000 1.161 220 T CB -0.811 68.033 68.868 -0.041 0.000 0.862 220 T HN 0.734 nan 8.240 nan 0.000 0.438 221 T N 1.175 115.645 114.554 -0.141 0.000 2.684 221 T HA -0.057 4.359 4.350 0.111 0.000 0.267 221 T C 2.297 176.931 174.700 -0.111 0.000 1.036 221 T CA 1.445 63.460 62.100 -0.142 0.000 1.148 221 T CB -1.042 67.656 68.868 -0.285 0.000 0.863 221 T HN 0.571 nan 8.240 nan 0.000 0.436 222 G N 0.991 109.685 108.800 -0.175 0.000 2.446 222 G HA2 -0.186 3.840 3.960 0.111 0.000 0.217 222 G HA3 -0.186 3.840 3.960 0.111 0.000 0.217 222 G C 1.702 176.551 174.900 -0.084 0.000 1.168 222 G CA 0.915 45.960 45.100 -0.091 0.000 0.771 222 G HN 0.443 nan 8.290 nan 0.000 0.551 223 V N 0.680 120.504 119.914 -0.149 0.000 2.469 223 V HA -0.147 4.039 4.120 0.111 0.000 0.251 223 V C 2.659 178.549 176.094 -0.340 0.000 1.064 223 V CA 1.625 63.755 62.300 -0.283 0.000 1.066 223 V CB -0.355 31.318 31.823 -0.250 0.000 0.667 223 V HN 0.366 nan 8.190 nan 0.000 0.461 224 L N 0.382 121.544 121.223 -0.103 0.000 2.044 224 L HA -0.080 4.327 4.340 0.111 0.000 0.205 224 L C 2.652 179.535 176.870 0.022 0.000 1.075 224 L CA 1.792 56.652 54.840 0.033 0.000 0.747 224 L CB -0.710 41.383 42.059 0.057 0.000 0.903 224 L HN 0.171 nan 8.230 nan 0.000 0.435 225 R N -0.340 120.166 120.500 0.010 0.000 2.117 225 R HA -0.183 4.223 4.340 0.111 0.000 0.243 225 R C 2.287 178.635 176.300 0.080 0.000 1.143 225 R CA 1.810 57.919 56.100 0.016 0.000 0.968 225 R CB -0.956 29.409 30.300 0.108 0.000 0.863 225 R HN 0.427 nan 8.270 nan 0.000 0.444 226 L N -0.309 120.947 121.223 0.056 0.000 2.012 226 L HA -0.212 4.194 4.340 0.111 0.000 0.210 226 L C 2.311 179.230 176.870 0.082 0.000 1.073 226 L CA 1.401 56.281 54.840 0.067 0.000 0.748 226 L CB -0.573 41.404 42.059 -0.136 0.000 0.891 226 L HN 0.126 nan 8.230 nan 0.000 0.431 227 Y N 0.317 120.645 120.300 0.046 0.000 2.483 227 Y HA -0.218 4.398 4.550 0.110 0.000 0.291 227 Y C 2.534 178.424 175.900 -0.018 0.000 1.143 227 Y CA 0.810 58.914 58.100 0.008 0.000 1.289 227 Y CB -0.593 37.864 38.460 -0.006 0.000 0.983 227 Y HN 0.357 nan 8.280 nan 0.000 0.556 228 Q N -2.333 117.520 119.800 0.088 0.000 2.402 228 Q HA 0.015 4.421 4.340 0.111 0.000 0.206 228 Q C 1.388 177.304 176.000 -0.139 0.000 0.919 228 Q CA 0.308 56.073 55.803 -0.063 0.000 0.923 228 Q CB -0.017 28.625 28.738 -0.161 0.000 1.048 228 Q HN 0.371 nan 8.270 nan 0.000 0.515 229 F N 0.619 120.568 119.950 -0.003 0.000 2.219 229 F HA 0.055 4.651 4.527 0.115 0.000 0.294 229 F C 2.338 178.116 175.800 -0.037 0.000 1.086 229 F CA 0.879 58.856 58.000 -0.038 0.000 1.330 229 F CB -0.511 38.444 39.000 -0.075 0.000 1.047 229 F HN 0.023 nan 8.300 nan 0.000 0.495 230 A N 0.096 123.023 122.820 0.179 0.000 1.908 230 A HA -0.152 4.235 4.320 0.111 0.000 0.218 230 A C 2.343 179.964 177.584 0.061 0.000 1.181 230 A CA 2.052 54.147 52.037 0.096 0.000 0.627 230 A CB -1.296 17.767 19.000 0.104 0.000 0.818 230 A HN 0.301 nan 8.150 nan 0.000 0.445 231 A N -0.833 122.018 122.820 0.053 0.000 2.067 231 A HA 0.378 4.765 4.320 0.111 0.000 0.217 231 A C 2.292 179.881 177.584 0.008 0.000 1.156 231 A CA 1.450 53.498 52.037 0.018 0.000 0.683 231 A CB -0.614 18.387 19.000 0.003 0.000 0.808 231 A HN 0.983 nan 8.150 nan 0.000 0.455 232 A N -1.672 121.157 122.820 0.014 0.000 2.067 232 A HA 0.377 4.763 4.320 0.111 0.000 0.217 232 A C 1.929 179.531 177.584 0.029 0.000 1.156 232 A CA 1.437 53.482 52.037 0.013 0.000 0.683 232 A CB -0.700 18.304 19.000 0.006 0.000 0.808 232 A HN 1.776 nan 8.150 nan 0.000 0.455 233 G N -0.894 107.929 108.800 0.039 0.000 2.175 233 G HA2 -0.213 3.814 3.960 0.111 0.000 0.244 233 G HA3 -0.213 3.814 3.960 0.111 0.000 0.244 233 G C 0.210 175.129 174.900 0.032 0.000 0.982 233 G CA 0.557 45.675 45.100 0.030 0.000 0.641 233 G HN 0.448 nan 8.290 nan 0.000 0.527 234 D N -0.393 120.054 120.400 0.079 0.000 2.349 234 D HA 0.205 4.912 4.640 0.111 0.000 0.214 234 D C 1.088 177.343 176.300 -0.075 0.000 1.063 234 D CA -0.208 53.837 54.000 0.075 0.000 0.847 234 D CB 0.478 41.434 40.800 0.259 0.000 0.933 234 D HN 0.444 nan 8.370 nan 0.000 0.513 235 L N 1.158 122.333 121.223 -0.080 0.000 2.407 235 L HA 0.295 4.702 4.340 0.111 0.000 0.282 235 L C 1.134 177.776 176.870 -0.379 0.000 1.110 235 L CA -0.100 54.567 54.840 -0.288 0.000 0.863 235 L CB 0.774 42.755 42.059 -0.130 0.000 1.207 235 L HN -0.081 nan 8.230 nan 0.000 0.454 236 A N 5.531 127.921 122.820 -0.716 0.000 2.178 236 A HA 0.268 4.654 4.320 0.111 0.000 0.211 236 A C 0.065 177.455 177.584 -0.323 0.000 1.157 236 A CA 0.482 52.210 52.037 -0.515 0.000 0.780 236 A CB -0.519 18.225 19.000 -0.426 0.000 0.828 236 A HN 0.671 nan 8.150 nan 0.000 0.476 237 F N -4.529 115.416 119.950 -0.009 0.000 2.668 237 F HA 0.661 5.248 4.527 0.099 0.000 0.309 237 F C -3.373 172.447 175.800 0.033 0.000 1.117 237 F CA -3.609 54.401 58.000 0.017 0.000 0.951 237 F CB 0.161 39.163 39.000 0.003 0.000 1.323 237 F HN -0.315 nan 8.300 nan 0.000 0.451 238 P HA 0.389 nan 4.420 nan 0.000 0.270 238 P C -1.105 176.330 177.300 0.226 0.000 1.227 238 P CA -0.037 63.220 63.100 0.261 0.000 0.788 238 P CB 0.695 32.561 31.700 0.277 0.000 0.926 239 A N 2.041 124.969 122.820 0.180 0.000 2.408 239 A HA 0.565 4.952 4.320 0.111 0.000 0.295 239 A C -0.687 176.971 177.584 0.123 0.000 1.040 239 A CA -0.610 51.496 52.037 0.115 0.000 0.707 239 A CB 0.484 19.522 19.000 0.064 0.000 1.235 239 A HN 0.407 nan 8.150 nan 0.000 0.418 240 I N 2.437 123.048 120.570 0.069 0.000 2.352 240 I HA 0.108 4.345 4.170 0.111 0.000 0.290 240 I C 0.416 176.561 176.117 0.046 0.000 1.036 240 I CA -0.397 60.955 61.300 0.087 0.000 1.336 240 I CB 1.017 39.048 38.000 0.051 0.000 1.407 240 I HN 0.693 nan 8.210 nan 0.000 0.497 241 N N 6.792 125.522 118.700 0.050 0.000 2.402 241 N HA 0.064 4.870 4.740 0.111 0.000 0.259 241 N C 0.397 175.933 175.510 0.042 0.000 1.167 241 N CA 0.097 53.151 53.050 0.006 0.000 0.949 241 N CB 1.096 39.586 38.487 0.004 0.000 1.212 241 N HN 0.414 nan 8.380 nan 0.000 0.493 242 V N 3.518 123.450 119.914 0.029 0.000 2.878 242 V HA -0.080 4.107 4.120 0.111 0.000 0.250 242 V C 2.280 178.400 176.094 0.044 0.000 1.075 242 V CA 0.703 63.031 62.300 0.046 0.000 1.096 242 V CB -0.814 31.042 31.823 0.055 0.000 0.724 242 V HN 0.763 nan 8.190 nan 0.000 0.467 243 N N 0.838 119.552 118.700 0.024 0.000 2.132 243 N HA -0.242 4.565 4.740 0.111 0.000 0.191 243 N C 0.997 176.528 175.510 0.036 0.000 1.015 243 N CA 1.781 54.843 53.050 0.020 0.000 0.864 243 N CB -0.009 38.474 38.487 -0.007 0.000 1.006 243 N HN 0.444 nan 8.380 nan 0.000 0.430 244 D N 0.442 120.873 120.400 0.051 0.000 2.342 244 D HA 0.097 4.803 4.640 0.111 0.000 0.221 244 D C -0.105 176.241 176.300 0.076 0.000 1.101 244 D CA 0.017 54.059 54.000 0.070 0.000 0.837 244 D CB 0.331 41.190 40.800 0.098 0.000 0.938 244 D HN 0.079 nan 8.370 nan 0.000 0.508 245 S N 0.080 115.819 115.700 0.066 0.000 2.558 245 S HA -0.022 4.514 4.470 0.111 0.000 0.287 245 S C 1.955 176.589 174.600 0.056 0.000 1.321 245 S CA -0.427 57.808 58.200 0.058 0.000 1.048 245 S CB 1.723 64.949 63.200 0.044 0.000 0.844 245 S HN -0.024 nan 8.310 nan 0.000 0.512 246 V N 2.642 122.577 119.914 0.035 0.000 2.453 246 V HA -0.138 4.048 4.120 0.111 0.000 0.247 246 V C 2.440 178.628 176.094 0.158 0.000 1.048 246 V CA 2.014 64.315 62.300 0.001 0.000 1.049 246 V CB -1.404 30.275 31.823 -0.239 0.000 0.672 246 V HN 1.065 nan 8.190 nan 0.000 0.457 247 T N -2.605 112.015 114.554 0.111 0.000 3.118 247 T HA -0.046 4.370 4.350 0.111 0.000 0.260 247 T C 1.668 176.442 174.700 0.123 0.000 1.139 247 T CA 0.698 62.845 62.100 0.078 0.000 1.085 247 T CB 0.152 68.930 68.868 -0.150 0.000 0.934 247 T HN 0.286 nan 8.240 nan 0.000 0.518 248 K N 1.948 122.412 120.400 0.108 0.000 2.065 248 K HA 0.042 4.429 4.320 0.111 0.000 0.211 248 K C 2.721 179.374 176.600 0.088 0.000 1.025 248 K CA 1.418 57.751 56.287 0.077 0.000 0.948 248 K CB -0.652 31.878 32.500 0.050 0.000 0.798 248 K HN 0.426 nan 8.250 nan 0.000 0.450 249 S N 2.083 117.809 115.700 0.044 0.000 2.359 249 S HA -0.114 4.422 4.470 0.111 0.000 0.223 249 S C 1.674 176.205 174.600 -0.114 0.000 1.039 249 S CA 1.117 59.304 58.200 -0.021 0.000 1.042 249 S CB -0.392 62.794 63.200 -0.024 0.000 0.915 249 S HN 0.214 nan 8.310 nan 0.000 0.439 250 K N 0.525 120.829 120.400 -0.161 0.000 2.574 250 K HA 0.183 4.570 4.320 0.111 0.000 0.193 250 K C 0.701 176.750 176.600 -0.918 0.000 1.035 250 K CA 0.585 56.567 56.287 -0.507 0.000 0.982 250 K CB -0.359 31.826 32.500 -0.524 0.000 0.795 250 K HN 0.561 nan 8.250 nan 0.000 0.491 251 F N -0.698 119.171 119.950 -0.135 0.000 2.347 251 F HA 0.045 4.638 4.527 0.110 0.000 0.266 251 F C 2.055 177.820 175.800 -0.058 0.000 0.884 251 F CA -0.221 57.785 58.000 0.011 0.000 1.123 251 F CB -0.361 38.684 39.000 0.074 0.000 1.098 251 F HN -0.099 nan 8.300 nan 0.000 0.803 252 D N 1.074 121.539 120.400 0.109 0.000 2.081 252 D HA -0.178 4.528 4.640 0.111 0.000 0.194 252 D C 1.488 177.730 176.300 -0.097 0.000 0.986 252 D CA 2.111 56.112 54.000 0.001 0.000 0.837 252 D CB -0.445 40.399 40.800 0.073 0.000 0.985 252 D HN 0.064 nan 8.370 nan 0.000 0.448 253 N N 0.347 119.030 118.700 -0.028 0.000 2.091 253 N HA -0.191 4.616 4.740 0.111 0.000 0.193 253 N C 1.699 177.124 175.510 -0.142 0.000 1.021 253 N CA 1.562 54.592 53.050 -0.034 0.000 0.862 253 N CB -0.230 38.225 38.487 -0.054 0.000 1.018 253 N HN 0.380 nan 8.380 nan 0.000 0.429 254 K N -0.891 119.353 120.400 -0.259 0.000 2.102 254 K HA 0.021 4.408 4.320 0.111 0.000 0.206 254 K C 1.462 177.889 176.600 -0.287 0.000 1.031 254 K CA 0.474 56.546 56.287 -0.358 0.000 0.962 254 K CB -0.172 31.974 32.500 -0.590 0.000 0.811 254 K HN 0.031 nan 8.250 nan 0.000 0.453 255 Y N 0.710 120.932 120.300 -0.130 0.000 2.373 255 Y HA 0.086 4.702 4.550 0.111 0.000 0.293 255 Y C 2.309 178.121 175.900 -0.147 0.000 1.129 255 Y CA 0.946 58.998 58.100 -0.080 0.000 1.226 255 Y CB -0.968 37.497 38.460 0.008 0.000 1.000 255 Y HN 0.286 nan 8.280 nan 0.000 0.549 256 G N -0.485 108.175 108.800 -0.234 0.000 2.433 256 G HA2 -0.242 3.785 3.960 0.111 0.000 0.216 256 G HA3 -0.242 3.785 3.960 0.111 0.000 0.216 256 G C 1.737 176.312 174.900 -0.541 0.000 1.186 256 G CA 1.710 46.364 45.100 -0.743 0.000 0.779 256 G HN 0.343 nan 8.290 nan 0.000 0.543 257 T N 0.230 114.555 114.554 -0.382 0.000 2.788 257 T HA -0.082 4.335 4.350 0.111 0.000 0.268 257 T C 2.265 176.983 174.700 0.030 0.000 1.044 257 T CA 1.190 63.280 62.100 -0.017 0.000 1.139 257 T CB -0.117 68.759 68.868 0.012 0.000 0.867 257 T HN 0.327 nan 8.240 nan 0.000 0.454 258 R N 0.210 120.723 120.500 0.022 0.000 2.105 258 R HA -0.185 4.222 4.340 0.111 0.000 0.239 258 R C 2.432 178.789 176.300 0.094 0.000 1.135 258 R CA 1.444 57.584 56.100 0.067 0.000 0.967 258 R CB -0.349 30.021 30.300 0.118 0.000 0.861 258 R HN 0.497 nan 8.270 nan 0.000 0.442 259 H N -0.290 118.795 119.070 0.024 0.000 2.395 259 H HA -0.023 4.600 4.556 0.112 0.000 0.299 259 H C 1.836 177.199 175.328 0.059 0.000 1.070 259 H CA 1.872 57.944 56.048 0.040 0.000 1.356 259 H CB 0.202 29.989 29.762 0.042 0.000 1.401 259 H HN 0.393 nan 8.280 nan 0.000 0.524 260 S N -0.089 115.756 115.700 0.243 0.000 2.503 260 S HA -0.024 4.513 4.470 0.111 0.000 0.215 260 S C 2.146 176.821 174.600 0.125 0.000 1.003 260 S CA 0.240 58.588 58.200 0.246 0.000 0.910 260 S CB -0.199 63.219 63.200 0.365 0.000 0.790 260 S HN 0.238 nan 8.310 nan 0.000 0.514 261 L N 3.015 124.292 121.223 0.090 0.000 1.989 261 L HA 0.054 4.461 4.340 0.111 0.000 0.211 261 L C 2.287 179.174 176.870 0.028 0.000 1.071 261 L CA 2.187 57.059 54.840 0.053 0.000 0.749 261 L CB -0.688 41.392 42.059 0.035 0.000 0.890 261 L HN 0.614 nan 8.230 nan 0.000 0.431 262 I N -2.642 117.930 120.570 0.004 0.000 2.546 262 I HA -0.166 4.071 4.170 0.111 0.000 0.255 262 I C 2.085 178.189 176.117 -0.022 0.000 1.163 262 I CA 1.705 62.996 61.300 -0.014 0.000 1.457 262 I CB -0.629 37.352 38.000 -0.031 0.000 1.092 262 I HN 0.286 nan 8.210 nan 0.000 0.434 263 D N 1.779 122.160 120.400 -0.031 0.000 2.087 263 D HA -0.162 4.545 4.640 0.111 0.000 0.192 263 D C 2.267 178.581 176.300 0.023 0.000 0.993 263 D CA 2.229 56.225 54.000 -0.006 0.000 0.828 263 D CB -0.536 40.285 40.800 0.034 0.000 0.968 263 D HN 0.457 nan 8.370 nan 0.000 0.448 264 G N 0.517 109.339 108.800 0.037 0.000 2.476 264 G HA2 -0.256 3.770 3.960 0.111 0.000 0.218 264 G HA3 -0.256 3.770 3.960 0.111 0.000 0.218 264 G C 1.973 176.888 174.900 0.025 0.000 1.164 264 G CA 1.012 46.133 45.100 0.035 0.000 0.768 264 G HN 0.407 nan 8.290 nan 0.000 0.560 265 I N 0.812 121.394 120.570 0.021 0.000 2.353 265 I HA -0.111 4.126 4.170 0.111 0.000 0.248 265 I C 2.403 178.530 176.117 0.017 0.000 1.119 265 I CA 0.612 61.923 61.300 0.020 0.000 1.417 265 I CB -0.186 37.825 38.000 0.018 0.000 1.078 265 I HN 0.056 nan 8.210 nan 0.000 0.421 266 N N 1.095 119.802 118.700 0.012 0.000 2.166 266 N HA -0.135 4.672 4.740 0.111 0.000 0.186 266 N C 1.879 177.397 175.510 0.013 0.000 1.019 266 N CA 1.211 54.267 53.050 0.010 0.000 0.856 266 N CB -0.290 38.199 38.487 0.003 0.000 0.993 266 N HN 0.353 nan 8.380 nan 0.000 0.426 267 R N -0.064 120.446 120.500 0.016 0.000 2.090 267 R HA 0.043 4.450 4.340 0.111 0.000 0.228 267 R C 2.277 178.584 176.300 0.012 0.000 1.110 267 R CA 1.138 57.248 56.100 0.016 0.000 0.973 267 R CB -0.525 29.788 30.300 0.022 0.000 0.869 267 R HN 0.231 nan 8.270 nan 0.000 0.440 268 G N 0.134 108.942 108.800 0.013 0.000 2.402 268 G HA2 -0.262 3.765 3.960 0.111 0.000 0.216 268 G HA3 -0.262 3.765 3.960 0.111 0.000 0.216 268 G C 1.420 176.330 174.900 0.017 0.000 1.162 268 G CA 1.614 46.720 45.100 0.011 0.000 0.777 268 G HN 0.488 nan 8.290 nan 0.000 0.539 269 T N -4.520 110.047 114.554 0.022 0.000 3.051 269 T HA 0.142 4.559 4.350 0.111 0.000 0.254 269 T C 0.609 175.325 174.700 0.026 0.000 0.916 269 T CA 0.877 62.995 62.100 0.030 0.000 0.894 269 T CB 0.379 69.270 68.868 0.038 0.000 1.251 269 T HN 0.109 nan 8.240 nan 0.000 0.517 270 D N 1.927 122.339 120.400 0.020 0.000 2.737 270 D HA -0.108 4.598 4.640 0.111 0.000 0.233 270 D C 0.214 176.526 176.300 0.020 0.000 1.155 270 D CA 1.006 55.017 54.000 0.017 0.000 0.667 270 D CB -1.647 39.162 40.800 0.015 0.000 1.060 270 D HN 0.941 nan 8.370 nan 0.000 0.427 271 A N 0.169 123.003 122.820 0.024 0.000 2.328 271 A HA 0.518 4.905 4.320 0.111 0.000 0.284 271 A C 0.395 177.991 177.584 0.020 0.000 1.160 271 A CA -0.647 51.406 52.037 0.026 0.000 0.818 271 A CB 0.746 19.768 19.000 0.036 0.000 1.087 271 A HN 0.277 nan 8.150 nan 0.000 0.504 272 L N 2.742 123.976 121.223 0.017 0.000 2.514 272 L HA 0.128 4.535 4.340 0.111 0.000 0.280 272 L C 0.742 177.622 176.870 0.017 0.000 1.223 272 L CA 0.692 55.541 54.840 0.015 0.000 0.864 272 L CB 0.069 42.135 42.059 0.013 0.000 1.118 272 L HN 0.739 nan 8.230 nan 0.000 0.494 273 I N 2.809 123.388 120.570 0.015 0.000 2.556 273 I HA 0.159 4.395 4.170 0.111 0.000 0.251 273 I C 1.405 177.535 176.117 0.021 0.000 1.105 273 I CA 0.612 61.922 61.300 0.017 0.000 1.436 273 I CB -0.512 37.497 38.000 0.015 0.000 1.139 273 I HN 0.844 nan 8.210 nan 0.000 0.438 274 G N 0.130 108.942 108.800 0.020 0.000 2.353 274 G HA2 0.309 4.336 3.960 0.111 0.000 0.239 274 G HA3 0.309 4.336 3.960 0.111 0.000 0.239 274 G C 1.066 175.978 174.900 0.020 0.000 1.295 274 G CA 0.382 45.495 45.100 0.022 0.000 0.884 274 G HN 0.668 nan 8.290 nan 0.000 0.537 275 G N 0.804 109.617 108.800 0.023 0.000 2.176 275 G HA2 -0.248 3.778 3.960 0.111 0.000 0.253 275 G HA3 -0.248 3.778 3.960 0.111 0.000 0.253 275 G C 0.487 175.399 174.900 0.021 0.000 0.979 275 G CA 0.852 45.964 45.100 0.020 0.000 0.641 275 G HN 0.844 nan 8.290 nan 0.000 0.530 276 K N 0.830 121.243 120.400 0.023 0.000 2.123 276 K HA 0.600 4.986 4.320 0.111 0.000 0.259 276 K C 0.386 176.999 176.600 0.022 0.000 0.960 276 K CA -0.561 55.738 56.287 0.021 0.000 0.872 276 K CB 0.911 33.423 32.500 0.021 0.000 1.079 276 K HN 0.160 nan 8.250 nan 0.000 0.440 277 K N 1.643 122.054 120.400 0.018 0.000 2.349 277 K HA 0.225 4.611 4.320 0.111 0.000 0.289 277 K C -0.721 175.883 176.600 0.007 0.000 1.064 277 K CA -0.312 55.983 56.287 0.014 0.000 0.947 277 K CB 0.672 33.179 32.500 0.011 0.000 1.007 277 K HN 0.189 nan 8.250 nan 0.000 0.478 278 V N 4.960 124.874 119.914 0.000 0.000 2.495 278 V HA 0.258 4.444 4.120 0.111 0.000 0.298 278 V C -0.753 175.318 176.094 -0.037 0.000 1.031 278 V CA -1.018 61.273 62.300 -0.015 0.000 0.871 278 V CB 1.615 33.428 31.823 -0.018 0.000 0.988 278 V HN 0.514 nan 8.190 nan 0.000 0.432 279 L N 6.741 127.941 121.223 -0.039 0.000 2.280 279 L HA 0.610 5.017 4.340 0.111 0.000 0.287 279 L C -0.648 176.187 176.870 -0.059 0.000 1.023 279 L CA -0.035 54.773 54.840 -0.053 0.000 0.819 279 L CB 1.070 43.099 42.059 -0.049 0.000 1.212 279 L HN 0.390 nan 8.230 nan 0.000 0.420 280 I N 4.668 125.191 120.570 -0.079 0.000 2.354 280 I HA 0.291 4.528 4.170 0.111 0.000 0.292 280 I C -0.447 175.645 176.117 -0.042 0.000 0.989 280 I CA -0.477 60.786 61.300 -0.061 0.000 1.188 280 I CB 1.106 39.058 38.000 -0.080 0.000 1.342 280 I HN 0.534 nan 8.210 nan 0.000 0.457 281 C N 4.669 123.953 119.300 -0.027 0.000 2.255 281 C HA 0.829 5.355 4.460 0.111 0.000 0.326 281 C C 0.725 175.717 174.990 0.003 0.000 1.258 281 C CA -0.513 58.494 59.018 -0.019 0.000 1.676 281 C CB -0.052 27.670 27.740 -0.030 0.000 2.314 281 C HN 1.095 nan 8.230 nan 0.000 0.509 282 G N 2.237 111.052 108.800 0.026 0.000 3.067 282 G HA2 -0.037 3.990 3.960 0.111 0.000 0.686 282 G HA3 -0.037 3.990 3.960 0.111 0.000 0.686 282 G C -1.223 173.743 174.900 0.110 0.000 1.119 282 G CA -0.664 44.463 45.100 0.045 0.000 0.790 282 G HN 0.840 nan 8.290 nan 0.000 0.605 283 Y N 2.650 122.928 120.300 -0.037 0.000 2.577 283 Y HA 0.529 5.147 4.550 0.112 0.000 0.307 283 Y C 1.136 177.019 175.900 -0.028 0.000 0.940 283 Y CA 0.322 58.400 58.100 -0.037 0.000 1.132 283 Y CB 0.149 38.596 38.460 -0.021 0.000 1.184 283 Y HN 0.953 nan 8.280 nan 0.000 0.611 284 G N 0.010 108.734 108.800 -0.128 0.000 2.574 284 G HA2 0.033 4.059 3.960 0.111 0.000 0.248 284 G HA3 0.033 4.059 3.960 0.111 0.000 0.248 284 G C 0.510 175.253 174.900 -0.263 0.000 1.422 284 G CA -0.016 44.989 45.100 -0.158 0.000 1.051 284 G HN 0.229 nan 8.290 nan 0.000 0.560 285 D N -1.058 119.224 120.400 -0.197 0.000 2.117 285 D HA -0.115 4.591 4.640 0.111 0.000 0.197 285 D C 2.758 178.926 176.300 -0.221 0.000 0.987 285 D CA 0.818 54.679 54.000 -0.233 0.000 0.829 285 D CB -0.229 40.458 40.800 -0.188 0.000 0.961 285 D HN 0.044 nan 8.370 nan 0.000 0.460 286 V N 1.108 120.936 119.914 -0.144 0.000 2.261 286 V HA -0.169 4.017 4.120 0.111 0.000 0.246 286 V C 2.613 178.636 176.094 -0.118 0.000 1.047 286 V CA 2.074 64.317 62.300 -0.096 0.000 1.015 286 V CB -1.070 30.733 31.823 -0.034 0.000 0.642 286 V HN 0.227 nan 8.190 nan 0.000 0.446 287 G N -0.455 108.263 108.800 -0.136 0.000 2.469 287 G HA2 -0.283 3.743 3.960 0.111 0.000 0.219 287 G HA3 -0.283 3.743 3.960 0.111 0.000 0.219 287 G C 1.683 176.442 174.900 -0.235 0.000 1.150 287 G CA 1.025 46.051 45.100 -0.124 0.000 0.763 287 G HN 0.471 nan 8.290 nan 0.000 0.561 288 K N 0.064 120.154 120.400 -0.516 0.000 2.057 288 K HA -0.025 4.362 4.320 0.111 0.000 0.206 288 K C 2.796 179.271 176.600 -0.208 0.000 1.050 288 K CA 0.832 56.771 56.287 -0.580 0.000 0.935 288 K CB -0.390 31.709 32.500 -0.668 0.000 0.715 288 K HN 0.278 nan 8.250 nan 0.000 0.439 289 G N 1.126 109.811 108.800 -0.192 0.000 2.446 289 G HA2 -0.275 3.752 3.960 0.111 0.000 0.217 289 G HA3 -0.275 3.752 3.960 0.111 0.000 0.217 289 G C 1.658 176.534 174.900 -0.040 0.000 1.168 289 G CA 1.048 46.088 45.100 -0.100 0.000 0.771 289 G HN 0.312 nan 8.290 nan 0.000 0.551 290 C N 0.897 120.166 119.300 -0.052 0.000 2.413 290 C HA 0.140 4.667 4.460 0.111 0.000 0.276 290 C C 3.561 178.521 174.990 -0.050 0.000 1.236 290 C CA 0.987 59.984 59.018 -0.036 0.000 1.735 290 C CB -1.027 26.688 27.740 -0.042 0.000 2.031 290 C HN 0.571 nan 8.230 nan 0.000 0.474 291 A N 0.198 122.964 122.820 -0.090 0.000 1.873 291 A HA -0.216 4.170 4.320 0.111 0.000 0.215 291 A C 2.115 179.699 177.584 -0.000 0.000 1.186 291 A CA 1.893 53.788 52.037 -0.236 0.000 0.616 291 A CB -0.728 17.968 19.000 -0.506 0.000 0.823 291 A HN 0.719 nan 8.150 nan 0.000 0.442 292 E N 0.031 120.302 120.200 0.119 0.000 2.038 292 E HA -0.175 4.241 4.350 0.111 0.000 0.195 292 E C 2.166 178.843 176.600 0.127 0.000 1.000 292 E CA 1.325 57.840 56.400 0.192 0.000 0.803 292 E CB -0.343 29.454 29.700 0.163 0.000 0.750 292 E HN 0.496 nan 8.360 nan 0.000 0.448 293 A N 1.162 124.026 122.820 0.074 0.000 1.884 293 A HA -0.269 4.118 4.320 0.111 0.000 0.219 293 A C 2.222 179.833 177.584 0.045 0.000 1.197 293 A CA 2.397 54.464 52.037 0.050 0.000 0.637 293 A CB -0.621 18.395 19.000 0.028 0.000 0.827 293 A HN 0.342 nan 8.150 nan 0.000 0.450 294 M N -0.577 119.043 119.600 0.033 0.000 2.086 294 M HA -0.119 4.428 4.480 0.111 0.000 0.261 294 M C 2.083 178.427 176.300 0.074 0.000 1.067 294 M CA 1.746 57.065 55.300 0.031 0.000 1.116 294 M CB -1.295 31.301 32.600 -0.008 0.000 1.348 294 M HN 0.475 nan 8.290 nan 0.000 0.407 295 K N 0.063 120.546 120.400 0.138 0.000 2.001 295 K HA -0.177 4.210 4.320 0.111 0.000 0.214 295 K C 1.992 178.660 176.600 0.113 0.000 1.050 295 K CA 2.013 58.414 56.287 0.190 0.000 0.934 295 K CB -0.733 31.960 32.500 0.321 0.000 0.718 295 K HN 0.450 nan 8.250 nan 0.000 0.443 296 G N 0.810 109.670 108.800 0.099 0.000 2.507 296 G HA2 -0.262 3.764 3.960 0.111 0.000 0.221 296 G HA3 -0.262 3.764 3.960 0.111 0.000 0.221 296 G C 1.385 176.312 174.900 0.046 0.000 1.119 296 G CA 0.592 45.732 45.100 0.066 0.000 0.751 296 G HN 0.364 nan 8.290 nan 0.000 0.574 297 Q N -0.425 119.401 119.800 0.044 0.000 2.425 297 Q HA 0.165 4.572 4.340 0.111 0.000 0.204 297 Q C 1.774 177.794 176.000 0.032 0.000 0.933 297 Q CA 0.752 56.573 55.803 0.030 0.000 0.939 297 Q CB 0.457 29.208 28.738 0.022 0.000 1.044 297 Q HN 0.608 nan 8.270 nan 0.000 0.513 298 G N 0.109 108.935 108.800 0.043 0.000 2.148 298 G HA2 -0.212 3.815 3.960 0.111 0.000 0.203 298 G HA3 -0.212 3.815 3.960 0.111 0.000 0.203 298 G C 0.295 175.222 174.900 0.045 0.000 0.993 298 G CA 0.062 45.187 45.100 0.040 0.000 0.661 298 G HN 0.533 nan 8.290 nan 0.000 0.518 299 A N -0.067 122.785 122.820 0.053 0.000 2.366 299 A HA 0.724 5.110 4.320 0.111 0.000 0.249 299 A C 0.792 178.419 177.584 0.072 0.000 1.084 299 A CA 0.028 52.096 52.037 0.052 0.000 0.794 299 A CB 0.308 19.333 19.000 0.042 0.000 1.034 299 A HN 0.476 nan 8.150 nan 0.000 0.491 300 R N 1.053 121.588 120.500 0.059 0.000 2.522 300 R HA 0.362 4.769 4.340 0.111 0.000 0.290 300 R C -1.289 175.053 176.300 0.070 0.000 1.216 300 R CA -0.325 55.817 56.100 0.070 0.000 1.250 300 R CB 0.702 31.029 30.300 0.045 0.000 1.143 300 R HN 0.425 nan 8.270 nan 0.000 0.553 301 V N 2.121 122.105 119.914 0.118 0.000 2.461 301 V HA 0.209 4.396 4.120 0.111 0.000 0.275 301 V C 0.337 176.467 176.094 0.060 0.000 1.047 301 V CA -0.155 62.166 62.300 0.035 0.000 0.955 301 V CB 1.437 33.196 31.823 -0.106 0.000 0.988 301 V HN 0.603 nan 8.190 nan 0.000 0.471 302 S N 3.324 119.007 115.700 -0.028 0.000 2.568 302 S HA 0.797 5.334 4.470 0.111 0.000 0.302 302 S C -0.496 174.044 174.600 -0.101 0.000 1.082 302 S CA -0.572 57.613 58.200 -0.025 0.000 1.009 302 S CB 2.207 65.400 63.200 -0.011 0.000 1.069 302 S HN 0.442 nan 8.310 nan 0.000 0.500 303 V N 1.739 121.594 119.914 -0.098 0.000 2.960 303 V HA 0.738 4.925 4.120 0.111 0.000 0.315 303 V C 0.182 176.236 176.094 -0.067 0.000 1.087 303 V CA -0.719 61.511 62.300 -0.116 0.000 0.982 303 V CB 2.309 34.004 31.823 -0.213 0.000 1.039 303 V HN 1.043 nan 8.190 nan 0.000 0.437 304 T N 0.279 114.806 114.554 -0.045 0.000 2.918 304 T HA 0.839 5.256 4.350 0.111 0.000 0.286 304 T C -0.898 173.800 174.700 -0.003 0.000 1.026 304 T CA -0.541 61.541 62.100 -0.031 0.000 1.031 304 T CB 2.231 71.076 68.868 -0.039 0.000 1.046 304 T HN 0.613 nan 8.240 nan 0.000 0.479 305 E N 0.776 120.977 120.200 0.000 0.000 2.380 305 E HA 0.272 4.688 4.350 0.111 0.000 0.281 305 E C -0.007 176.600 176.600 0.011 0.000 0.999 305 E CA -0.517 55.895 56.400 0.021 0.000 0.800 305 E CB 1.801 31.524 29.700 0.039 0.000 1.228 305 E HN 0.756 nan 8.360 nan 0.000 0.436 306 I N -1.935 118.644 120.570 0.015 0.000 3.941 306 I HA 0.321 4.557 4.170 0.111 0.000 0.321 306 I C 0.552 176.676 176.117 0.012 0.000 1.284 306 I CA 0.195 61.500 61.300 0.009 0.000 1.226 306 I CB 0.322 38.326 38.000 0.007 0.000 1.045 306 I HN 0.089 nan 8.210 nan 0.000 0.420 307 D N 2.774 123.187 120.400 0.021 0.000 2.329 307 D HA 0.265 4.972 4.640 0.111 0.000 0.232 307 D C -1.662 174.653 176.300 0.024 0.000 1.088 307 D CA -2.222 51.791 54.000 0.021 0.000 0.835 307 D CB 2.205 43.021 40.800 0.027 0.000 1.078 307 D HN -0.077 nan 8.370 nan 0.000 0.495 308 P HA -0.138 nan 4.420 nan 0.000 0.216 308 P C 1.784 179.096 177.300 0.019 0.000 1.150 308 P CA 0.902 64.009 63.100 0.012 0.000 0.843 308 P CB 0.632 32.336 31.700 0.006 0.000 0.787 309 I N 0.148 120.732 120.570 0.023 0.000 2.110 309 I HA -0.229 4.008 4.170 0.111 0.000 0.236 309 I C 2.460 178.612 176.117 0.058 0.000 1.068 309 I CA 1.411 62.730 61.300 0.031 0.000 1.333 309 I CB -1.022 36.992 38.000 0.023 0.000 1.054 309 I HN -0.073 nan 8.210 nan 0.000 0.402 310 N N 1.248 119.994 118.700 0.076 0.000 2.091 310 N HA -0.244 4.563 4.740 0.111 0.000 0.193 310 N C 1.922 177.535 175.510 0.170 0.000 1.021 310 N CA 1.754 54.895 53.050 0.151 0.000 0.862 310 N CB -0.310 38.259 38.487 0.137 0.000 1.018 310 N HN 0.415 nan 8.380 nan 0.000 0.429 311 A N 1.560 124.426 122.820 0.076 0.000 1.908 311 A HA -0.128 4.259 4.320 0.111 0.000 0.218 311 A C 2.227 179.808 177.584 -0.004 0.000 1.181 311 A CA 1.025 53.070 52.037 0.013 0.000 0.627 311 A CB -0.684 18.319 19.000 0.005 0.000 0.818 311 A HN 0.191 nan 8.150 nan 0.000 0.445 312 L N -0.027 121.207 121.223 0.018 0.000 2.131 312 L HA -0.180 4.226 4.340 0.111 0.000 0.210 312 L C 2.486 179.366 176.870 0.017 0.000 1.092 312 L CA 2.056 56.901 54.840 0.008 0.000 0.759 312 L CB -0.796 41.270 42.059 0.012 0.000 0.903 312 L HN 0.518 nan 8.230 nan 0.000 0.435 313 Q N -1.005 118.835 119.800 0.067 0.000 2.050 313 Q HA -0.181 4.226 4.340 0.111 0.000 0.202 313 Q C 2.284 178.327 176.000 0.071 0.000 0.980 313 Q CA 1.703 57.585 55.803 0.131 0.000 0.840 313 Q CB -0.411 28.489 28.738 0.270 0.000 0.898 313 Q HN 0.638 nan 8.270 nan 0.000 0.424 314 A N 1.095 123.820 122.820 -0.158 0.000 1.908 314 A HA -0.211 4.175 4.320 0.111 0.000 0.218 314 A C 2.103 179.603 177.584 -0.140 0.000 1.181 314 A CA 1.652 53.405 52.037 -0.473 0.000 0.627 314 A CB -0.570 17.932 19.000 -0.830 0.000 0.818 314 A HN 0.307 nan 8.150 nan 0.000 0.445 315 M N -1.429 118.109 119.600 -0.103 0.000 2.175 315 M HA -0.093 4.454 4.480 0.111 0.000 0.264 315 M C 1.948 178.188 176.300 -0.101 0.000 1.063 315 M CA 1.106 56.356 55.300 -0.083 0.000 1.119 315 M CB -0.476 32.092 32.600 -0.053 0.000 1.377 315 M HN 0.287 nan 8.290 nan 0.000 0.415 316 M N -0.215 119.343 119.600 -0.071 0.000 2.476 316 M HA -0.078 4.468 4.480 0.111 0.000 0.262 316 M C 1.036 177.271 176.300 -0.108 0.000 1.079 316 M CA 1.346 56.607 55.300 -0.064 0.000 1.104 316 M CB -1.062 31.526 32.600 -0.020 0.000 1.409 316 M HN 0.184 nan 8.290 nan 0.000 0.467 317 E N -0.386 119.714 120.200 -0.166 0.000 2.465 317 E HA 0.243 4.660 4.350 0.111 0.000 0.191 317 E C 1.023 177.182 176.600 -0.736 0.000 1.053 317 E CA 0.398 56.601 56.400 -0.328 0.000 0.869 317 E CB -0.028 29.587 29.700 -0.141 0.000 0.977 317 E HN 0.585 nan 8.360 nan 0.000 0.483 318 G N 0.250 108.736 108.800 -0.523 0.000 2.131 318 G HA2 -0.248 3.779 3.960 0.111 0.000 0.223 318 G HA3 -0.248 3.779 3.960 0.111 0.000 0.223 318 G C -0.300 174.317 174.900 -0.471 0.000 0.990 318 G CA -0.309 44.508 45.100 -0.471 0.000 0.671 318 G HN 0.142 nan 8.290 nan 0.000 0.521 319 F N 1.695 121.588 119.950 -0.096 0.000 2.420 319 F HA 0.492 5.086 4.527 0.111 0.000 0.342 319 F C 0.549 176.281 175.800 -0.114 0.000 1.113 319 F CA -1.939 55.991 58.000 -0.116 0.000 1.059 319 F CB 0.954 39.839 39.000 -0.192 0.000 1.128 319 F HN -0.094 nan 8.300 nan 0.000 0.475 320 D N 1.788 122.251 120.400 0.105 0.000 2.423 320 D HA 0.187 4.893 4.640 0.111 0.000 0.238 320 D C -0.387 175.919 176.300 0.010 0.000 1.142 320 D CA 0.323 54.343 54.000 0.032 0.000 0.884 320 D CB 1.552 42.365 40.800 0.022 0.000 1.199 320 D HN 0.120 nan 8.370 nan 0.000 0.438 321 V N 2.661 122.566 119.914 -0.015 0.000 2.378 321 V HA 0.419 4.606 4.120 0.111 0.000 0.288 321 V C 0.252 176.331 176.094 -0.025 0.000 1.016 321 V CA -0.561 61.720 62.300 -0.032 0.000 0.840 321 V CB 1.497 33.296 31.823 -0.041 0.000 0.994 321 V HN 0.434 nan 8.190 nan 0.000 0.431 322 V N 1.921 121.818 119.914 -0.029 0.000 3.147 322 V HA 0.847 5.033 4.120 0.111 0.000 0.306 322 V C -0.193 175.880 176.094 -0.035 0.000 1.209 322 V CA -0.615 61.668 62.300 -0.028 0.000 1.023 322 V CB 2.170 33.978 31.823 -0.026 0.000 1.059 322 V HN 0.800 nan 8.190 nan 0.000 0.435 323 T N -0.594 113.938 114.554 -0.036 0.000 2.909 323 T HA 0.520 4.937 4.350 0.111 0.000 0.286 323 T C 1.129 175.783 174.700 -0.076 0.000 1.002 323 T CA 0.096 62.167 62.100 -0.047 0.000 1.074 323 T CB 1.481 70.330 68.868 -0.031 0.000 0.984 323 T HN 0.922 nan 8.240 nan 0.000 0.495 324 V N 1.933 121.772 119.914 -0.125 0.000 2.277 324 V HA -0.237 3.950 4.120 0.111 0.000 0.253 324 V C 2.735 178.716 176.094 -0.189 0.000 1.067 324 V CA 2.343 64.509 62.300 -0.223 0.000 1.047 324 V CB -1.034 30.532 31.823 -0.429 0.000 0.649 324 V HN 0.924 nan 8.190 nan 0.000 0.447 325 E N -0.162 119.974 120.200 -0.106 0.000 2.085 325 E HA -0.247 4.170 4.350 0.111 0.000 0.194 325 E C 2.258 178.854 176.600 -0.007 0.000 0.994 325 E CA 1.668 58.068 56.400 0.001 0.000 0.801 325 E CB -0.268 29.457 29.700 0.043 0.000 0.743 325 E HN 0.849 nan 8.360 nan 0.000 0.453 326 E N -0.576 119.610 120.200 -0.023 0.000 2.230 326 E HA -0.016 4.401 4.350 0.111 0.000 0.192 326 E C 1.533 178.121 176.600 -0.021 0.000 0.987 326 E CA 0.955 57.345 56.400 -0.017 0.000 0.841 326 E CB 0.070 29.760 29.700 -0.017 0.000 0.783 326 E HN 0.193 nan 8.360 nan 0.000 0.481 327 A N 0.305 123.103 122.820 -0.036 0.000 2.229 327 A HA 0.190 4.577 4.320 0.111 0.000 0.211 327 A C 1.837 179.400 177.584 -0.036 0.000 1.193 327 A CA -0.165 51.852 52.037 -0.034 0.000 0.879 327 A CB -0.059 18.916 19.000 -0.041 0.000 0.911 327 A HN 0.307 nan 8.150 nan 0.000 0.492 328 I N 0.479 121.021 120.570 -0.047 0.000 2.315 328 I HA -0.059 4.178 4.170 0.111 0.000 0.248 328 I C 2.149 178.255 176.117 -0.018 0.000 1.117 328 I CA 1.689 62.961 61.300 -0.046 0.000 1.404 328 I CB -0.233 37.723 38.000 -0.072 0.000 1.071 328 I HN 0.221 nan 8.210 nan 0.000 0.419 329 G N -0.976 107.817 108.800 -0.011 0.000 2.625 329 G HA2 -0.227 3.800 3.960 0.111 0.000 0.214 329 G HA3 -0.227 3.800 3.960 0.111 0.000 0.214 329 G C 1.070 175.969 174.900 -0.002 0.000 1.132 329 G CA 1.025 46.122 45.100 -0.006 0.000 0.782 329 G HN 0.468 nan 8.290 nan 0.000 0.538 330 D N -1.237 119.161 120.400 -0.003 0.000 2.520 330 D HA 0.361 5.068 4.640 0.111 0.000 0.223 330 D C 1.123 177.426 176.300 0.004 0.000 1.186 330 D CA -0.151 53.850 54.000 0.002 0.000 0.821 330 D CB 0.404 41.205 40.800 0.000 0.000 1.072 330 D HN 0.188 nan 8.370 nan 0.000 0.518 331 A N 0.619 123.438 122.820 -0.001 0.000 2.409 331 A HA 0.204 4.590 4.320 0.111 0.000 0.267 331 A C 0.828 178.419 177.584 0.011 0.000 1.127 331 A CA -0.095 51.942 52.037 -0.001 0.000 0.795 331 A CB 0.456 19.448 19.000 -0.014 0.000 1.061 331 A HN 0.134 nan 8.150 nan 0.000 0.502 332 D N 1.368 121.777 120.400 0.016 0.000 2.213 332 D HA 0.108 4.814 4.640 0.111 0.000 0.205 332 D C 0.236 176.553 176.300 0.029 0.000 0.961 332 D CA 1.416 55.432 54.000 0.028 0.000 0.853 332 D CB 0.240 41.057 40.800 0.027 0.000 0.967 332 D HN 0.581 nan 8.370 nan 0.000 0.496 333 I N 0.776 121.356 120.570 0.017 0.000 2.619 333 I HA 0.235 4.471 4.170 0.111 0.000 0.292 333 I C -0.985 175.133 176.117 0.002 0.000 1.100 333 I CA -0.799 60.510 61.300 0.015 0.000 1.043 333 I CB 3.187 41.195 38.000 0.013 0.000 1.239 333 I HN -0.408 nan 8.210 nan 0.000 0.420 334 V N 6.457 126.373 119.914 0.003 0.000 2.483 334 V HA 0.494 4.681 4.120 0.111 0.000 0.297 334 V C -0.426 175.665 176.094 -0.005 0.000 1.027 334 V CA -0.644 61.651 62.300 -0.010 0.000 0.855 334 V CB 2.224 34.038 31.823 -0.015 0.000 0.995 334 V HN 0.415 nan 8.190 nan 0.000 0.424 335 V N 3.593 123.499 119.914 -0.014 0.000 2.540 335 V HA 0.599 4.786 4.120 0.111 0.000 0.302 335 V C 0.185 176.273 176.094 -0.009 0.000 1.035 335 V CA -0.559 61.738 62.300 -0.006 0.000 0.873 335 V CB 2.362 34.182 31.823 -0.006 0.000 0.992 335 V HN 0.978 nan 8.190 nan 0.000 0.428 336 T N 1.112 115.666 114.554 0.001 0.000 2.795 336 T HA 0.747 5.163 4.350 0.111 0.000 0.282 336 T C 0.170 174.875 174.700 0.008 0.000 0.980 336 T CA -0.067 62.034 62.100 0.002 0.000 1.012 336 T CB 1.788 70.662 68.868 0.009 0.000 0.936 336 T HN 1.015 nan 8.240 nan 0.000 0.457 337 A N 2.258 125.080 122.820 0.004 0.000 2.585 337 A HA 0.433 4.820 4.320 0.111 0.000 0.281 337 A C 1.455 179.040 177.584 0.001 0.000 0.945 337 A CA 0.059 52.097 52.037 0.002 0.000 1.031 337 A CB -0.217 18.778 19.000 -0.008 0.000 1.221 337 A HN 0.967 nan 8.150 nan 0.000 0.496 338 T N -4.703 109.856 114.554 0.008 0.000 3.037 338 T HA 0.372 4.788 4.350 0.111 0.000 0.252 338 T C 1.598 176.305 174.700 0.011 0.000 1.073 338 T CA 1.140 63.246 62.100 0.010 0.000 1.091 338 T CB 0.006 68.882 68.868 0.014 0.000 0.935 338 T HN 1.725 nan 8.240 nan 0.000 0.488 339 G N 1.574 110.382 108.800 0.013 0.000 2.168 339 G HA2 -0.258 3.768 3.960 0.111 0.000 0.257 339 G HA3 -0.258 3.768 3.960 0.111 0.000 0.257 339 G C -0.025 174.897 174.900 0.036 0.000 0.997 339 G CA 0.312 45.419 45.100 0.012 0.000 0.708 339 G HN 0.791 nan 8.290 nan 0.000 0.520 340 N N 0.050 118.774 118.700 0.040 0.000 2.457 340 N HA 0.670 5.477 4.740 0.111 0.000 0.290 340 N C 0.090 175.632 175.510 0.053 0.000 1.232 340 N CA -0.455 52.621 53.050 0.043 0.000 0.852 340 N CB 1.231 39.734 38.487 0.026 0.000 1.313 340 N HN 0.547 nan 8.380 nan 0.000 0.522 341 K N -0.419 120.007 120.400 0.043 0.000 2.185 341 K HA 0.522 4.909 4.320 0.111 0.000 0.240 341 K C -0.971 175.646 176.600 0.027 0.000 0.983 341 K CA -0.488 55.822 56.287 0.039 0.000 0.873 341 K CB 0.977 33.491 32.500 0.024 0.000 1.118 341 K HN 0.368 nan 8.250 nan 0.000 0.441 342 D N 0.374 120.791 120.400 0.027 0.000 2.873 342 D HA -0.122 4.584 4.640 0.111 0.000 0.228 342 D C 0.507 176.841 176.300 0.055 0.000 1.122 342 D CA 0.534 54.553 54.000 0.032 0.000 0.758 342 D CB -0.793 40.018 40.800 0.019 0.000 1.094 342 D HN 0.524 nan 8.370 nan 0.000 0.434 343 I N -0.582 120.017 120.570 0.048 0.000 2.385 343 I HA -0.032 4.204 4.170 0.111 0.000 0.244 343 I C 1.356 177.506 176.117 0.055 0.000 1.089 343 I CA 0.807 62.127 61.300 0.033 0.000 1.410 343 I CB -0.158 37.845 38.000 0.005 0.000 1.117 343 I HN 0.058 nan 8.210 nan 0.000 0.429 344 I N 3.199 123.817 120.570 0.079 0.000 2.337 344 I HA 0.278 4.515 4.170 0.111 0.000 0.285 344 I C 0.202 176.436 176.117 0.196 0.000 1.041 344 I CA -0.393 61.002 61.300 0.157 0.000 1.199 344 I CB 0.744 38.775 38.000 0.051 0.000 1.370 344 I HN 0.006 nan 8.210 nan 0.000 0.470 345 M N 4.311 124.108 119.600 0.327 0.000 2.219 345 M HA 0.210 4.757 4.480 0.111 0.000 0.280 345 M C 1.311 177.567 176.300 -0.073 0.000 1.189 345 M CA -0.668 54.631 55.300 -0.001 0.000 1.010 345 M CB 0.665 33.168 32.600 -0.161 0.000 1.422 345 M HN 0.435 nan 8.290 nan 0.000 0.504 346 L N 1.583 122.745 121.223 -0.102 0.000 2.083 346 L HA -0.173 4.234 4.340 0.111 0.000 0.209 346 L C 2.300 179.083 176.870 -0.145 0.000 1.083 346 L CA 1.962 56.753 54.840 -0.083 0.000 0.752 346 L CB -0.846 41.187 42.059 -0.044 0.000 0.899 346 L HN 0.848 nan 8.230 nan 0.000 0.433 347 E N -1.368 118.697 120.200 -0.226 0.000 2.171 347 E HA -0.320 4.097 4.350 0.111 0.000 0.197 347 E C 1.826 178.296 176.600 -0.216 0.000 0.997 347 E CA 1.987 58.236 56.400 -0.251 0.000 0.810 347 E CB -0.648 28.885 29.700 -0.279 0.000 0.738 347 E HN 0.746 nan 8.360 nan 0.000 0.467 348 H N 0.952 119.973 119.070 -0.082 0.000 2.299 348 H HA -0.000 4.623 4.556 0.111 0.000 0.302 348 H C 2.396 177.664 175.328 -0.100 0.000 1.078 348 H CA 1.633 57.634 56.048 -0.078 0.000 1.323 348 H CB -0.125 29.604 29.762 -0.054 0.000 1.381 348 H HN 0.135 nan 8.280 nan 0.000 0.498 349 I N 1.047 121.630 120.570 0.022 0.000 2.315 349 I HA -0.276 3.961 4.170 0.111 0.000 0.251 349 I C 1.985 177.980 176.117 -0.203 0.000 1.125 349 I CA 1.396 62.673 61.300 -0.039 0.000 1.392 349 I CB -0.280 37.719 38.000 -0.001 0.000 1.065 349 I HN 0.235 nan 8.210 nan 0.000 0.424 350 K N 0.809 120.987 120.400 -0.370 0.000 2.296 350 K HA 0.052 4.438 4.320 0.111 0.000 0.200 350 K C 2.066 178.482 176.600 -0.307 0.000 1.048 350 K CA 0.976 56.900 56.287 -0.605 0.000 0.966 350 K CB 0.046 32.184 32.500 -0.603 0.000 0.754 350 K HN 0.318 nan 8.250 nan 0.000 0.466 351 A N 0.799 123.523 122.820 -0.160 0.000 2.178 351 A HA 0.096 4.483 4.320 0.111 0.000 0.211 351 A C 1.031 178.584 177.584 -0.053 0.000 1.157 351 A CA 0.120 52.108 52.037 -0.082 0.000 0.780 351 A CB -0.119 18.866 19.000 -0.025 0.000 0.828 351 A HN 0.130 nan 8.150 nan 0.000 0.476 352 M N 0.909 120.477 119.600 -0.053 0.000 2.232 352 M HA 0.147 4.694 4.480 0.111 0.000 0.321 352 M C 0.571 176.870 176.300 -0.000 0.000 1.101 352 M CA 0.138 55.429 55.300 -0.015 0.000 1.181 352 M CB 0.567 33.167 32.600 0.001 0.000 1.432 352 M HN 0.396 nan 8.290 nan 0.000 0.457 353 K N 0.392 120.806 120.400 0.022 0.000 2.102 353 K HA 0.255 4.642 4.320 0.111 0.000 0.244 353 K C -0.738 175.907 176.600 0.074 0.000 1.021 353 K CA -0.878 55.433 56.287 0.041 0.000 0.913 353 K CB 0.450 32.974 32.500 0.041 0.000 1.062 353 K HN 0.408 nan 8.250 nan 0.000 0.485 354 D N 0.555 121.015 120.400 0.101 0.000 2.358 354 D HA -0.004 4.702 4.640 0.111 0.000 0.258 354 D C -0.416 176.034 176.300 0.250 0.000 1.223 354 D CA 0.710 54.810 54.000 0.167 0.000 0.886 354 D CB -0.155 40.762 40.800 0.195 0.000 1.120 354 D HN 0.768 nan 8.370 nan 0.000 0.482 355 H N 0.652 119.764 119.070 0.070 0.000 3.071 355 H HA -0.149 4.474 4.556 0.111 0.000 0.243 355 H C -0.114 175.247 175.328 0.056 0.000 1.221 355 H CA 0.489 56.576 56.048 0.064 0.000 1.109 355 H CB -1.568 28.223 29.762 0.049 0.000 1.236 355 H HN 0.513 nan 8.280 nan 0.000 0.332 356 A N 0.940 123.827 122.820 0.112 0.000 2.425 356 A HA 0.473 4.859 4.320 0.111 0.000 0.242 356 A C 0.760 178.385 177.584 0.068 0.000 1.077 356 A CA 0.038 52.121 52.037 0.078 0.000 0.781 356 A CB 0.430 19.463 19.000 0.056 0.000 1.020 356 A HN 0.292 nan 8.150 nan 0.000 0.494 357 I N 0.762 121.367 120.570 0.058 0.000 2.428 357 I HA 0.406 4.643 4.170 0.111 0.000 0.296 357 I C -0.473 175.670 176.117 0.043 0.000 0.985 357 I CA -0.384 60.948 61.300 0.054 0.000 1.260 357 I CB 1.595 39.626 38.000 0.051 0.000 1.389 357 I HN 0.532 nan 8.210 nan 0.000 0.484 358 L N 5.724 126.976 121.223 0.048 0.000 2.406 358 L HA 0.891 5.297 4.340 0.111 0.000 0.272 358 L C -0.436 176.459 176.870 0.043 0.000 0.980 358 L CA 0.189 55.052 54.840 0.038 0.000 0.831 358 L CB 1.487 43.566 42.059 0.034 0.000 1.253 358 L HN 0.643 nan 8.230 nan 0.000 0.406 359 G N 2.678 111.498 108.800 0.034 0.000 2.690 359 G HA2 0.454 4.480 3.960 0.111 0.000 0.291 359 G HA3 0.454 4.480 3.960 0.111 0.000 0.291 359 G C -2.041 172.879 174.900 0.034 0.000 1.403 359 G CA -0.765 44.359 45.100 0.040 0.000 0.864 359 G HN 0.682 nan 8.290 nan 0.000 0.480 360 N N -0.153 118.572 118.700 0.042 0.000 2.296 360 N HA 0.474 5.281 4.740 0.111 0.000 0.294 360 N C -0.198 175.336 175.510 0.040 0.000 1.033 360 N CA -0.778 52.295 53.050 0.039 0.000 0.839 360 N CB 1.977 40.492 38.487 0.048 0.000 1.395 360 N HN 0.329 nan 8.380 nan 0.000 0.479 361 I N 1.633 122.222 120.570 0.033 0.000 4.154 361 I HA 0.437 4.674 4.170 0.111 0.000 0.334 361 I C 0.987 177.124 176.117 0.033 0.000 1.371 361 I CA -0.366 60.954 61.300 0.034 0.000 1.110 361 I CB -0.044 37.979 38.000 0.037 0.000 1.085 361 I HN 0.668 nan 8.210 nan 0.000 0.398 362 G N -0.640 108.177 108.800 0.028 0.000 2.570 362 G HA2 -0.139 3.887 3.960 0.111 0.000 0.276 362 G HA3 -0.139 3.887 3.960 0.111 0.000 0.276 362 G C 0.419 175.331 174.900 0.019 0.000 1.346 362 G CA 0.128 45.242 45.100 0.023 0.000 1.034 362 G HN 0.391 nan 8.290 nan 0.000 0.512 363 H N -1.704 117.270 119.070 -0.161 0.000 2.482 363 H HA 0.263 4.886 4.556 0.113 0.000 0.286 363 H C -0.104 175.062 175.328 -0.271 0.000 1.017 363 H CA 0.437 56.299 56.048 -0.309 0.000 1.322 363 H CB 0.067 29.498 29.762 -0.553 0.000 1.426 363 H HN 0.154 nan 8.280 nan 0.000 0.546 364 F N 0.208 120.128 119.950 -0.051 0.000 2.579 364 F HA 0.168 4.761 4.527 0.110 0.000 0.324 364 F C 0.989 176.756 175.800 -0.054 0.000 1.058 364 F CA -1.734 56.206 58.000 -0.101 0.000 0.944 364 F CB 1.116 40.094 39.000 -0.038 0.000 1.245 364 F HN 0.125 nan 8.300 nan 0.000 0.477 365 D N 0.104 120.608 120.400 0.174 0.000 2.348 365 D HA -0.109 4.597 4.640 0.111 0.000 0.248 365 D C 0.352 176.691 176.300 0.065 0.000 1.142 365 D CA 0.463 54.515 54.000 0.087 0.000 0.904 365 D CB -0.506 40.323 40.800 0.047 0.000 0.901 365 D HN 0.571 nan 8.370 nan 0.000 0.523 366 N N -0.072 118.680 118.700 0.086 0.000 2.184 366 N HA -0.052 4.755 4.740 0.111 0.000 0.206 366 N C 0.901 176.442 175.510 0.051 0.000 1.151 366 N CA -0.200 52.878 53.050 0.047 0.000 0.878 366 N CB -0.133 38.364 38.487 0.018 0.000 1.014 366 N HN 0.225 nan 8.380 nan 0.000 0.512 367 E N 0.547 120.787 120.200 0.066 0.000 2.150 367 E HA 0.041 4.457 4.350 0.111 0.000 0.193 367 E C 0.161 176.784 176.600 0.037 0.000 0.985 367 E CA 0.711 57.141 56.400 0.050 0.000 0.814 367 E CB 0.327 30.056 29.700 0.048 0.000 0.752 367 E HN 0.460 nan 8.360 nan 0.000 0.466 368 I N 1.832 122.422 120.570 0.033 0.000 2.377 368 I HA 0.076 4.312 4.170 0.111 0.000 0.293 368 I C -0.018 176.101 176.117 0.003 0.000 0.987 368 I CA -0.805 60.507 61.300 0.019 0.000 1.185 368 I CB 1.440 39.447 38.000 0.012 0.000 1.341 368 I HN -0.239 nan 8.210 nan 0.000 0.455 369 D N 6.862 127.259 120.400 -0.006 0.000 2.606 369 D HA -0.017 4.690 4.640 0.111 0.000 0.234 369 D C 1.083 177.344 176.300 -0.066 0.000 1.140 369 D CA 0.346 54.329 54.000 -0.029 0.000 1.182 369 D CB 0.498 41.279 40.800 -0.032 0.000 1.130 369 D HN 0.350 nan 8.370 nan 0.000 0.485 370 M N 0.973 120.544 119.600 -0.049 0.000 2.156 370 M HA -0.044 4.502 4.480 0.111 0.000 0.264 370 M C 2.140 178.408 176.300 -0.053 0.000 1.067 370 M CA 0.673 55.934 55.300 -0.065 0.000 1.131 370 M CB -1.169 31.434 32.600 0.005 0.000 1.368 370 M HN 0.361 nan 8.290 nan 0.000 0.416 371 A N 0.631 123.438 122.820 -0.022 0.000 1.908 371 A HA -0.064 4.322 4.320 0.111 0.000 0.218 371 A C 2.430 180.000 177.584 -0.023 0.000 1.181 371 A CA 2.120 54.152 52.037 -0.008 0.000 0.627 371 A CB -1.467 17.531 19.000 -0.004 0.000 0.818 371 A HN 0.521 nan 8.150 nan 0.000 0.445 372 G N -0.581 108.194 108.800 -0.042 0.000 2.422 372 G HA2 -0.053 3.974 3.960 0.111 0.000 0.218 372 G HA3 -0.053 3.974 3.960 0.111 0.000 0.218 372 G C 1.466 176.323 174.900 -0.070 0.000 1.140 372 G CA 1.118 46.191 45.100 -0.044 0.000 0.775 372 G HN 0.533 nan 8.290 nan 0.000 0.545 373 L N 0.357 121.486 121.223 -0.156 0.000 2.109 373 L HA 0.203 4.610 4.340 0.111 0.000 0.207 373 L C 2.418 179.091 176.870 -0.327 0.000 1.086 373 L CA 1.773 56.421 54.840 -0.321 0.000 0.760 373 L CB -0.405 41.289 42.059 -0.608 0.000 0.910 373 L HN 0.263 nan 8.230 nan 0.000 0.437 374 E N -0.631 119.474 120.200 -0.159 0.000 2.268 374 E HA -0.116 4.301 4.350 0.111 0.000 0.195 374 E C 1.889 178.539 176.600 0.083 0.000 0.995 374 E CA 0.700 57.153 56.400 0.088 0.000 0.836 374 E CB 0.030 29.818 29.700 0.147 0.000 0.763 374 E HN 0.435 nan 8.360 nan 0.000 0.491 375 R N -0.085 120.432 120.500 0.028 0.000 2.317 375 R HA 0.060 4.466 4.340 0.111 0.000 0.208 375 R C 2.106 178.426 176.300 0.034 0.000 0.914 375 R CA 0.639 56.759 56.100 0.034 0.000 1.060 375 R CB 0.333 30.646 30.300 0.022 0.000 1.015 375 R HN 0.113 nan 8.270 nan 0.000 0.498 376 S N -0.789 114.928 115.700 0.027 0.000 2.436 376 S HA 0.031 4.568 4.470 0.111 0.000 0.228 376 S C 1.500 176.138 174.600 0.064 0.000 1.014 376 S CA 0.858 59.094 58.200 0.059 0.000 0.950 376 S CB 0.373 63.639 63.200 0.109 0.000 0.784 376 S HN 0.403 nan 8.310 nan 0.000 0.504 377 G N 0.707 109.525 108.800 0.031 0.000 2.144 377 G HA2 0.028 4.054 3.960 0.111 0.000 0.218 377 G HA3 0.028 4.054 3.960 0.111 0.000 0.218 377 G C 0.173 175.037 174.900 -0.061 0.000 0.988 377 G CA -0.076 45.035 45.100 0.019 0.000 0.659 377 G HN 1.194 nan 8.290 nan 0.000 0.522 378 A N 0.413 123.119 122.820 -0.191 0.000 2.351 378 A HA 0.757 5.144 4.320 0.111 0.000 0.257 378 A C 0.885 178.468 177.584 -0.002 0.000 1.087 378 A CA 1.017 52.825 52.037 -0.381 0.000 0.798 378 A CB 0.332 18.919 19.000 -0.688 0.000 1.033 378 A HN 1.699 nan 8.150 nan 0.000 0.488 379 T N -0.041 114.484 114.554 -0.048 0.000 2.867 379 T HA 0.579 4.996 4.350 0.111 0.000 0.282 379 T C -0.132 174.387 174.700 -0.301 0.000 1.000 379 T CA -0.737 61.301 62.100 -0.103 0.000 1.042 379 T CB 1.058 69.863 68.868 -0.104 0.000 0.973 379 T HN 0.696 nan 8.240 nan 0.000 0.465 380 R N 2.037 122.132 120.500 -0.675 0.000 2.265 380 R HA 0.578 4.984 4.340 0.111 0.000 0.319 380 R C -1.404 174.568 176.300 -0.547 0.000 1.006 380 R CA -0.596 54.850 56.100 -1.090 0.000 0.880 380 R CB 0.804 30.254 30.300 -1.416 0.000 1.077 380 R HN 0.598 nan 8.270 nan 0.000 0.454 381 V N 5.463 125.113 119.914 -0.440 0.000 2.409 381 V HA 0.170 4.357 4.120 0.111 0.000 0.291 381 V C -0.023 175.927 176.094 -0.240 0.000 1.020 381 V CA -0.949 61.196 62.300 -0.258 0.000 0.848 381 V CB 1.500 33.225 31.823 -0.162 0.000 0.990 381 V HN 0.775 nan 8.190 nan 0.000 0.430 382 N N 4.013 122.601 118.700 -0.187 0.000 2.442 382 N HA 0.132 4.938 4.740 0.111 0.000 0.265 382 N C 0.726 176.181 175.510 -0.091 0.000 1.138 382 N CA -0.185 52.782 53.050 -0.138 0.000 0.956 382 N CB 1.930 40.352 38.487 -0.108 0.000 1.067 382 N HN 0.401 nan 8.380 nan 0.000 0.474 383 V N 4.434 124.304 119.914 -0.074 0.000 2.273 383 V HA -0.071 4.115 4.120 0.111 0.000 0.242 383 V C 0.958 177.031 176.094 -0.035 0.000 1.035 383 V CA 1.434 63.709 62.300 -0.042 0.000 1.013 383 V CB -0.515 31.294 31.823 -0.023 0.000 0.652 383 V HN 0.826 nan 8.190 nan 0.000 0.452 384 K N -1.005 119.371 120.400 -0.040 0.000 2.499 384 K HA 0.380 4.767 4.320 0.111 0.000 0.284 384 K C -3.318 173.250 176.600 -0.053 0.000 1.039 384 K CA -1.855 54.411 56.287 -0.035 0.000 0.873 384 K CB 0.855 33.341 32.500 -0.022 0.000 1.545 384 K HN -0.156 nan 8.250 nan 0.000 0.402 385 P HA -0.043 nan 4.420 nan 0.000 0.259 385 P C -0.869 176.351 177.300 -0.134 0.000 1.163 385 P CA 0.952 64.001 63.100 -0.084 0.000 0.760 385 P CB 0.240 31.908 31.700 -0.053 0.000 0.762 386 Q N -0.769 118.898 119.800 -0.222 0.000 2.416 386 Q HA -0.154 4.252 4.340 0.111 0.000 0.235 386 Q C -0.600 175.324 176.000 -0.127 0.000 0.773 386 Q CA 1.070 56.706 55.803 -0.279 0.000 1.286 386 Q CB -2.061 26.479 28.738 -0.331 0.000 1.556 386 Q HN 0.283 nan 8.270 nan 0.000 0.650 387 V N 0.857 120.721 119.914 -0.082 0.000 2.407 387 V HA 0.554 4.740 4.120 0.111 0.000 0.291 387 V C -0.231 175.839 176.094 -0.040 0.000 1.018 387 V CA -0.745 61.535 62.300 -0.034 0.000 0.842 387 V CB 2.066 33.878 31.823 -0.018 0.000 0.996 387 V HN 0.053 nan 8.190 nan 0.000 0.426 388 D N 3.687 124.081 120.400 -0.011 0.000 2.646 388 D HA 0.543 5.249 4.640 0.111 0.000 0.245 388 D C -1.162 175.108 176.300 -0.050 0.000 1.099 388 D CA -0.429 53.523 54.000 -0.081 0.000 0.849 388 D CB 3.268 44.012 40.800 -0.093 0.000 1.448 388 D HN 0.366 nan 8.370 nan 0.000 0.489 389 L N 2.461 123.579 121.223 -0.174 0.000 2.319 389 L HA 0.475 4.881 4.340 0.111 0.000 0.281 389 L C -1.737 175.028 176.870 -0.175 0.000 1.005 389 L CA -0.442 54.339 54.840 -0.099 0.000 0.828 389 L CB 1.022 43.028 42.059 -0.088 0.000 1.227 389 L HN 0.319 nan 8.230 nan 0.000 0.415 390 W N 4.156 125.403 121.300 -0.089 0.000 2.471 390 W HA 0.615 5.342 4.660 0.111 0.000 0.318 390 W C -0.327 176.114 176.519 -0.130 0.000 1.034 390 W CA -0.448 56.825 57.345 -0.120 0.000 1.224 390 W CB 2.265 31.666 29.460 -0.099 0.000 1.335 390 W HN 0.382 nan 8.180 nan 0.000 0.452 391 T N 4.145 118.732 114.554 0.054 0.000 2.779 391 T HA 0.444 4.860 4.350 0.111 0.000 0.280 391 T C -0.816 173.826 174.700 -0.096 0.000 0.987 391 T CA -0.575 61.543 62.100 0.029 0.000 0.966 391 T CB 0.574 69.456 68.868 0.023 0.000 0.933 391 T HN -0.032 nan 8.240 nan 0.000 0.442 392 F N 1.449 121.452 119.950 0.088 0.000 2.411 392 F HA 0.474 5.067 4.527 0.111 0.000 0.350 392 F C 1.534 177.365 175.800 0.051 0.000 1.114 392 F CA -0.509 57.531 58.000 0.067 0.000 1.135 392 F CB 1.136 40.163 39.000 0.046 0.000 1.120 392 F HN 0.770 nan 8.300 nan 0.000 0.495 393 G N 1.327 110.234 108.800 0.178 0.000 2.494 393 G HA2 -0.172 3.855 3.960 0.111 0.000 0.216 393 G HA3 -0.172 3.855 3.960 0.111 0.000 0.216 393 G C 1.256 176.225 174.900 0.116 0.000 1.140 393 G CA 0.524 45.692 45.100 0.114 0.000 0.801 393 G HN 0.686 nan 8.290 nan 0.000 0.536 394 D N 1.099 121.585 120.400 0.144 0.000 2.178 394 D HA -0.123 4.584 4.640 0.111 0.000 0.202 394 D C 2.157 178.506 176.300 0.082 0.000 0.974 394 D CA 1.982 56.042 54.000 0.100 0.000 0.841 394 D CB -0.835 40.020 40.800 0.093 0.000 0.953 394 D HN 0.399 nan 8.370 nan 0.000 0.478 395 T N -5.314 109.305 114.554 0.108 0.000 2.978 395 T HA 0.429 4.846 4.350 0.111 0.000 0.248 395 T C 1.832 176.586 174.700 0.091 0.000 1.018 395 T CA 0.499 62.644 62.100 0.076 0.000 1.026 395 T CB 0.326 69.217 68.868 0.039 0.000 1.032 395 T HN 0.416 nan 8.240 nan 0.000 0.485 396 G N 1.976 110.851 108.800 0.124 0.000 2.176 396 G HA2 -0.222 3.805 3.960 0.111 0.000 0.253 396 G HA3 -0.222 3.805 3.960 0.111 0.000 0.253 396 G C 0.082 175.060 174.900 0.129 0.000 0.979 396 G CA -0.191 44.975 45.100 0.111 0.000 0.641 396 G HN 0.671 nan 8.290 nan 0.000 0.530 397 R N 0.596 121.189 120.500 0.154 0.000 2.368 397 R HA 0.592 4.999 4.340 0.111 0.000 0.302 397 R C -0.424 175.983 176.300 0.177 0.000 1.002 397 R CA -0.195 55.995 56.100 0.151 0.000 0.929 397 R CB 1.404 31.771 30.300 0.112 0.000 1.073 397 R HN 0.186 nan 8.270 nan 0.000 0.464 398 S N 2.947 118.693 115.700 0.075 0.000 2.509 398 S HA 0.500 5.036 4.470 0.111 0.000 0.297 398 S C -0.346 174.222 174.600 -0.053 0.000 1.118 398 S CA -0.734 57.444 58.200 -0.037 0.000 1.074 398 S CB 1.211 64.221 63.200 -0.316 0.000 1.038 398 S HN 0.308 nan 8.310 nan 0.000 0.498 399 I N 2.675 123.286 120.570 0.069 0.000 2.406 399 I HA 0.404 4.641 4.170 0.111 0.000 0.290 399 I C -0.253 175.928 176.117 0.106 0.000 0.999 399 I CA -1.208 60.146 61.300 0.091 0.000 1.124 399 I CB 1.197 39.292 38.000 0.158 0.000 1.289 399 I HN 0.588 nan 8.210 nan 0.000 0.441 400 I N 6.474 127.080 120.570 0.060 0.000 2.379 400 I HA 0.151 4.388 4.170 0.111 0.000 0.290 400 I C -0.053 176.142 176.117 0.131 0.000 1.063 400 I CA -0.192 61.161 61.300 0.088 0.000 1.351 400 I CB 0.692 38.730 38.000 0.064 0.000 1.410 400 I HN 0.151 nan 8.210 nan 0.000 0.505 401 V N 7.963 128.002 119.914 0.207 0.000 2.370 401 V HA 0.330 4.517 4.120 0.111 0.000 0.283 401 V C 0.226 176.401 176.094 0.135 0.000 1.023 401 V CA -0.656 61.759 62.300 0.191 0.000 0.857 401 V CB 1.415 33.409 31.823 0.285 0.000 0.985 401 V HN 0.455 nan 8.190 nan 0.000 0.443 402 L N 3.843 125.119 121.223 0.089 0.000 2.290 402 L HA 0.373 4.779 4.340 0.111 0.000 0.284 402 L C 1.100 178.007 176.870 0.061 0.000 1.078 402 L CA -0.138 54.735 54.840 0.055 0.000 0.815 402 L CB 1.171 43.255 42.059 0.042 0.000 1.162 402 L HN 0.839 nan 8.230 nan 0.000 0.435 403 S N 1.817 117.522 115.700 0.009 0.000 3.635 403 S HA -0.183 4.353 4.470 0.111 0.000 0.328 403 S C 0.735 175.448 174.600 0.188 0.000 1.135 403 S CA 1.111 59.314 58.200 0.005 0.000 0.942 403 S CB -1.129 62.121 63.200 0.084 0.000 0.930 403 S HN 0.938 nan 8.310 nan 0.000 0.512 404 E N -1.539 118.766 120.200 0.175 0.000 2.450 404 E HA -0.299 4.118 4.350 0.111 0.000 0.244 404 E C 0.972 177.694 176.600 0.203 0.000 1.226 404 E CA 0.748 57.299 56.400 0.252 0.000 0.720 404 E CB -1.982 27.925 29.700 0.346 0.000 1.254 404 E HN 1.453 nan 8.360 nan 0.000 0.399 405 G N -0.198 108.695 108.800 0.154 0.000 2.168 405 G HA2 -0.399 3.627 3.960 0.111 0.000 0.263 405 G HA3 -0.399 3.627 3.960 0.111 0.000 0.263 405 G C 0.372 175.338 174.900 0.109 0.000 0.977 405 G CA 0.753 45.917 45.100 0.107 0.000 0.659 405 G HN 0.317 nan 8.290 nan 0.000 0.533 406 R N 0.003 120.595 120.500 0.154 0.000 2.583 406 R HA 0.559 4.965 4.340 0.111 0.000 0.268 406 R C 1.561 177.932 176.300 0.119 0.000 1.101 406 R CA -0.474 55.706 56.100 0.134 0.000 1.180 406 R CB 0.292 30.701 30.300 0.182 0.000 1.128 406 R HN 0.369 nan 8.270 nan 0.000 0.568 407 L N 3.313 124.582 121.223 0.078 0.000 2.678 407 L HA 0.019 4.426 4.340 0.111 0.000 0.276 407 L C 1.004 177.910 176.870 0.060 0.000 1.142 407 L CA 0.172 55.044 54.840 0.053 0.000 0.961 407 L CB -0.767 41.303 42.059 0.019 0.000 1.291 407 L HN 0.744 nan 8.230 nan 0.000 0.476 408 L N 2.878 124.135 121.223 0.058 0.000 2.137 408 L HA -0.225 4.181 4.340 0.111 0.000 0.213 408 L C 2.345 179.239 176.870 0.039 0.000 1.085 408 L CA 2.155 57.025 54.840 0.050 0.000 0.760 408 L CB -1.272 40.813 42.059 0.043 0.000 0.893 408 L HN 0.782 nan 8.230 nan 0.000 0.434 409 N N 1.163 119.882 118.700 0.032 0.000 2.106 409 N HA -0.204 4.603 4.740 0.111 0.000 0.188 409 N C 1.788 177.304 175.510 0.010 0.000 1.029 409 N CA 2.225 55.296 53.050 0.035 0.000 0.848 409 N CB -1.010 37.514 38.487 0.060 0.000 1.007 409 N HN 0.527 nan 8.380 nan 0.000 0.423 410 L N -0.160 121.037 121.223 -0.043 0.000 2.217 410 L HA 0.132 4.538 4.340 0.111 0.000 0.211 410 L C 2.490 179.383 176.870 0.039 0.000 1.107 410 L CA 1.213 56.014 54.840 -0.066 0.000 0.783 410 L CB -0.356 41.548 42.059 -0.258 0.000 0.919 410 L HN 0.393 nan 8.230 nan 0.000 0.442 411 G N -1.405 107.441 108.800 0.077 0.000 2.510 411 G HA2 -0.109 3.918 3.960 0.111 0.000 0.212 411 G HA3 -0.109 3.918 3.960 0.111 0.000 0.212 411 G C 1.357 176.272 174.900 0.024 0.000 1.151 411 G CA -0.027 45.142 45.100 0.116 0.000 0.817 411 G HN 0.237 nan 8.290 nan 0.000 0.534 412 N N 0.347 119.057 118.700 0.018 0.000 2.405 412 N HA 0.251 5.058 4.740 0.111 0.000 0.175 412 N C 0.999 176.524 175.510 0.026 0.000 1.051 412 N CA 0.662 53.715 53.050 0.004 0.000 0.899 412 N CB 0.828 39.319 38.487 0.006 0.000 1.000 412 N HN 0.377 nan 8.380 nan 0.000 0.451 413 A N 0.148 122.993 122.820 0.041 0.000 3.827 413 A HA 0.451 4.838 4.320 0.111 0.000 0.199 413 A C 0.512 178.136 177.584 0.065 0.000 0.867 413 A CA -0.026 52.045 52.037 0.057 0.000 0.776 413 A CB 0.029 19.070 19.000 0.068 0.000 1.446 413 A HN 0.116 nan 8.150 nan 0.000 0.768 414 T N -2.380 112.222 114.554 0.080 0.000 3.182 414 T HA 0.521 4.938 4.350 0.111 0.000 0.277 414 T C 1.041 175.777 174.700 0.059 0.000 1.013 414 T CA 1.113 63.262 62.100 0.082 0.000 0.900 414 T CB -0.473 68.458 68.868 0.105 0.000 1.098 414 T HN 2.508 nan 8.240 nan 0.000 0.543 415 G N 1.881 110.701 108.800 0.035 0.000 2.598 415 G HA2 -0.216 3.811 3.960 0.111 0.000 0.244 415 G HA3 -0.216 3.811 3.960 0.111 0.000 0.244 415 G C -0.416 174.547 174.900 0.105 0.000 1.302 415 G CA -0.420 44.664 45.100 -0.027 0.000 0.903 415 G HN 0.810 nan 8.290 nan 0.000 0.575 416 H N 1.538 120.609 119.070 0.001 0.000 2.836 416 H HA 0.338 4.961 4.556 0.110 0.000 0.368 416 H C -1.811 173.471 175.328 -0.076 0.000 1.164 416 H CA -0.584 55.452 56.048 -0.021 0.000 1.425 416 H CB 0.267 29.999 29.762 -0.051 0.000 1.414 416 H HN 0.371 nan 8.280 nan 0.000 0.614 417 P HA 0.007 nan 4.420 nan 0.000 0.274 417 P C 0.367 177.649 177.300 -0.029 0.000 1.231 417 P CA -0.093 62.920 63.100 -0.145 0.000 0.790 417 P CB 0.859 32.325 31.700 -0.390 0.000 0.951 418 S N 0.856 116.561 115.700 0.008 0.000 2.381 418 S HA -0.249 4.287 4.470 0.111 0.000 0.230 418 S C 1.508 176.124 174.600 0.027 0.000 1.052 418 S CA 1.544 59.761 58.200 0.028 0.000 1.068 418 S CB -1.141 62.095 63.200 0.061 0.000 0.918 418 S HN 0.524 nan 8.310 nan 0.000 0.448 419 F N 1.626 121.551 119.950 -0.042 0.000 2.216 419 F HA -0.114 4.482 4.527 0.114 0.000 0.300 419 F C 2.166 177.916 175.800 -0.084 0.000 1.085 419 F CA 0.859 58.846 58.000 -0.021 0.000 1.326 419 F CB -0.242 38.748 39.000 -0.017 0.000 1.027 419 F HN -0.025 nan 8.300 nan 0.000 0.497 420 V N -0.179 119.732 119.914 -0.005 0.000 2.307 420 V HA -0.295 3.892 4.120 0.111 0.000 0.245 420 V C 2.294 178.263 176.094 -0.209 0.000 1.045 420 V CA 1.566 63.817 62.300 -0.082 0.000 1.024 420 V CB -0.429 31.380 31.823 -0.023 0.000 0.651 420 V HN 0.248 nan 8.190 nan 0.000 0.449 421 M N -0.540 118.922 119.600 -0.231 0.000 2.394 421 M HA -0.033 4.513 4.480 0.111 0.000 0.264 421 M C 2.403 178.477 176.300 -0.376 0.000 1.073 421 M CA 1.212 56.232 55.300 -0.466 0.000 1.111 421 M CB -1.549 30.709 32.600 -0.570 0.000 1.401 421 M HN 0.419 nan 8.290 nan 0.000 0.448 422 S N 0.989 116.544 115.700 -0.241 0.000 2.383 422 S HA -0.159 4.378 4.470 0.111 0.000 0.229 422 S C 1.700 176.221 174.600 -0.132 0.000 1.030 422 S CA 1.671 59.798 58.200 -0.121 0.000 1.002 422 S CB -0.068 63.062 63.200 -0.118 0.000 0.829 422 S HN 0.464 nan 8.310 nan 0.000 0.467 423 N N 1.165 119.620 118.700 -0.408 0.000 2.039 423 N HA 0.003 4.810 4.740 0.111 0.000 0.193 423 N C 2.021 177.443 175.510 -0.147 0.000 1.044 423 N CA 1.749 54.578 53.050 -0.368 0.000 0.847 423 N CB -0.741 37.457 38.487 -0.481 0.000 1.030 423 N HN 0.303 nan 8.380 nan 0.000 0.422 424 S N 0.128 115.726 115.700 -0.170 0.000 2.359 424 S HA -0.068 4.468 4.470 0.111 0.000 0.224 424 S C 1.506 176.176 174.600 0.117 0.000 1.035 424 S CA 0.986 59.136 58.200 -0.083 0.000 1.018 424 S CB -0.351 62.700 63.200 -0.248 0.000 0.876 424 S HN 0.243 nan 8.310 nan 0.000 0.448 425 F N 1.395 121.344 119.950 -0.002 0.000 2.512 425 F HA 0.335 4.929 4.527 0.111 0.000 0.296 425 F C 2.407 178.204 175.800 -0.005 0.000 1.110 425 F CA -0.457 57.545 58.000 0.004 0.000 1.446 425 F CB -1.373 37.625 39.000 -0.004 0.000 1.092 425 F HN 0.159 nan 8.300 nan 0.000 0.554 426 A N 0.610 123.529 122.820 0.164 0.000 1.902 426 A HA -0.222 4.165 4.320 0.111 0.000 0.217 426 A C 2.072 179.700 177.584 0.074 0.000 1.181 426 A CA 1.924 54.018 52.037 0.096 0.000 0.623 426 A CB -1.151 17.900 19.000 0.084 0.000 0.818 426 A HN 0.425 nan 8.150 nan 0.000 0.443 427 N N -1.039 117.703 118.700 0.069 0.000 2.149 427 N HA -0.221 4.585 4.740 0.111 0.000 0.188 427 N C 1.986 177.536 175.510 0.067 0.000 1.019 427 N CA 1.456 54.539 53.050 0.056 0.000 0.857 427 N CB -0.116 38.400 38.487 0.048 0.000 0.997 427 N HN 0.605 nan 8.380 nan 0.000 0.426 428 Q N 0.299 120.163 119.800 0.106 0.000 2.123 428 Q HA -0.023 4.383 4.340 0.111 0.000 0.199 428 Q C 1.779 177.800 176.000 0.036 0.000 0.966 428 Q CA 1.405 57.262 55.803 0.089 0.000 0.845 428 Q CB -0.081 28.746 28.738 0.147 0.000 0.907 428 Q HN 0.205 nan 8.270 nan 0.000 0.439 429 T N 0.617 115.189 114.554 0.029 0.000 2.674 429 T HA -0.102 4.314 4.350 0.111 0.000 0.265 429 T C 1.714 176.389 174.700 -0.042 0.000 1.039 429 T CA 1.457 63.547 62.100 -0.018 0.000 1.150 429 T CB -0.276 68.585 68.868 -0.012 0.000 0.864 429 T HN 0.248 nan 8.240 nan 0.000 0.427 430 I N 1.413 121.974 120.570 -0.016 0.000 2.151 430 I HA -0.246 3.990 4.170 0.111 0.000 0.243 430 I C 2.925 179.036 176.117 -0.010 0.000 1.080 430 I CA 1.332 62.621 61.300 -0.019 0.000 1.339 430 I CB -0.510 37.499 38.000 0.015 0.000 1.039 430 I HN 0.207 nan 8.210 nan 0.000 0.409 431 A N -0.049 122.774 122.820 0.004 0.000 1.933 431 A HA -0.224 4.163 4.320 0.111 0.000 0.218 431 A C 2.287 179.859 177.584 -0.020 0.000 1.175 431 A CA 1.374 53.412 52.037 0.002 0.000 0.628 431 A CB -0.456 18.552 19.000 0.013 0.000 0.814 431 A HN 0.440 nan 8.150 nan 0.000 0.444 432 Q N -0.352 119.436 119.800 -0.021 0.000 2.046 432 Q HA -0.109 4.298 4.340 0.111 0.000 0.200 432 Q C 2.214 178.228 176.000 0.023 0.000 0.975 432 Q CA 1.375 57.165 55.803 -0.021 0.000 0.836 432 Q CB -0.406 28.304 28.738 -0.047 0.000 0.896 432 Q HN 0.764 nan 8.270 nan 0.000 0.428 433 I N 1.311 121.873 120.570 -0.012 0.000 2.151 433 I HA -0.301 3.936 4.170 0.111 0.000 0.243 433 I C 2.305 178.463 176.117 0.069 0.000 1.080 433 I CA 1.311 62.614 61.300 0.004 0.000 1.339 433 I CB -0.343 37.562 38.000 -0.158 0.000 1.039 433 I HN 0.208 nan 8.210 nan 0.000 0.409 434 E N 0.604 120.833 120.200 0.048 0.000 2.047 434 E HA -0.177 4.240 4.350 0.111 0.000 0.191 434 E C 2.326 178.970 176.600 0.074 0.000 0.987 434 E CA 1.157 57.616 56.400 0.098 0.000 0.799 434 E CB -0.313 29.465 29.700 0.130 0.000 0.752 434 E HN 0.511 nan 8.360 nan 0.000 0.449 435 L N 0.032 121.211 121.223 -0.073 0.000 2.291 435 L HA -0.078 4.329 4.340 0.111 0.000 0.214 435 L C 2.308 179.204 176.870 0.043 0.000 1.120 435 L CA 0.653 55.373 54.840 -0.199 0.000 0.799 435 L CB -0.151 41.765 42.059 -0.239 0.000 0.925 435 L HN 0.305 nan 8.230 nan 0.000 0.446 436 W N 0.408 121.656 121.300 -0.087 0.000 2.539 436 W HA -0.157 4.607 4.660 0.174 0.000 0.299 436 W C 2.359 178.862 176.519 -0.026 0.000 1.165 436 W CA 1.603 58.909 57.345 -0.065 0.000 1.400 436 W CB -0.045 29.369 29.460 -0.076 0.000 1.123 436 W HN 0.224 nan 8.180 nan 0.000 0.533 437 T N -1.196 113.328 114.554 -0.050 0.000 3.043 437 T HA 0.033 4.450 4.350 0.111 0.000 0.263 437 T C 1.028 175.679 174.700 -0.082 0.000 1.094 437 T CA 0.687 62.705 62.100 -0.137 0.000 1.127 437 T CB -0.194 68.672 68.868 -0.002 0.000 0.905 437 T HN -0.014 nan 8.240 nan 0.000 0.490 438 K N 1.309 121.723 120.400 0.024 0.000 3.045 438 K HA 0.312 4.699 4.320 0.111 0.000 0.211 438 K C 1.087 177.789 176.600 0.171 0.000 1.141 438 K CA -0.226 56.110 56.287 0.081 0.000 1.036 438 K CB 0.152 32.733 32.500 0.134 0.000 0.851 438 K HN 0.301 nan 8.250 nan 0.000 0.462 439 N N 0.989 119.722 118.700 0.055 0.000 2.331 439 N HA -0.129 4.678 4.740 0.111 0.000 0.180 439 N C 0.341 175.934 175.510 0.138 0.000 1.019 439 N CA 1.115 54.220 53.050 0.092 0.000 0.881 439 N CB 0.376 38.827 38.487 -0.060 0.000 0.972 439 N HN 0.176 nan 8.380 nan 0.000 0.435 440 D N 0.548 120.981 120.400 0.055 0.000 2.349 440 D HA 0.012 4.719 4.640 0.111 0.000 0.215 440 D C 0.847 177.155 176.300 0.014 0.000 1.016 440 D CA 0.388 54.411 54.000 0.037 0.000 0.870 440 D CB 0.086 40.882 40.800 -0.006 0.000 0.917 440 D HN 0.364 nan 8.370 nan 0.000 0.524 441 E N -0.546 119.639 120.200 -0.026 0.000 2.511 441 E HA -0.052 4.365 4.350 0.111 0.000 0.196 441 E C -0.323 176.012 176.600 -0.442 0.000 1.066 441 E CA 0.327 56.583 56.400 -0.241 0.000 0.871 441 E CB 0.254 29.736 29.700 -0.362 0.000 0.863 441 E HN 0.375 nan 8.360 nan 0.000 0.520 442 Y N 0.464 120.717 120.300 -0.077 0.000 2.364 442 Y HA 0.191 4.691 4.550 -0.084 0.000 0.340 442 Y C 0.658 176.638 175.900 0.133 0.000 0.975 442 Y CA -1.185 56.875 58.100 -0.067 0.000 1.089 442 Y CB 1.215 39.636 38.460 -0.064 0.000 1.192 442 Y HN -0.192 nan 8.280 nan 0.000 0.454 443 D N 0.695 121.351 120.400 0.425 0.000 2.398 443 D HA 0.041 4.748 4.640 0.111 0.000 0.264 443 D C -0.329 176.172 176.300 0.336 0.000 1.263 443 D CA 0.052 54.246 54.000 0.324 0.000 1.037 443 D CB 0.573 41.538 40.800 0.275 0.000 1.101 443 D HN 0.498 nan 8.370 nan 0.000 0.551 444 N N 1.404 120.215 118.700 0.184 0.000 3.188 444 N HA 0.142 4.949 4.740 0.111 0.000 0.279 444 N C -0.676 174.861 175.510 0.044 0.000 1.213 444 N CA 0.125 53.242 53.050 0.113 0.000 1.138 444 N CB 0.328 38.840 38.487 0.042 0.000 1.417 444 N HN 0.288 nan 8.380 nan 0.000 0.526 445 E N -0.962 119.247 120.200 0.015 0.000 2.416 445 E HA 0.404 4.821 4.350 0.111 0.000 0.273 445 E C -0.658 175.786 176.600 -0.261 0.000 0.935 445 E CA -1.000 55.279 56.400 -0.202 0.000 0.784 445 E CB 1.940 31.369 29.700 -0.452 0.000 1.301 445 E HN -0.109 nan 8.360 nan 0.000 0.454 446 V N 2.111 121.912 119.914 -0.189 0.000 2.508 446 V HA 0.147 4.334 4.120 0.111 0.000 0.281 446 V C -0.852 175.109 176.094 -0.222 0.000 1.041 446 V CA 0.154 62.401 62.300 -0.087 0.000 1.016 446 V CB -0.753 31.109 31.823 0.066 0.000 0.984 446 V HN 0.483 nan 8.190 nan 0.000 0.478 447 Y N 3.733 124.126 120.300 0.155 0.000 2.549 447 Y HA 0.711 5.344 4.550 0.138 0.000 0.339 447 Y C 0.495 176.481 175.900 0.144 0.000 1.053 447 Y CA -1.039 57.168 58.100 0.178 0.000 1.105 447 Y CB 1.780 40.397 38.460 0.262 0.000 1.258 447 Y HN 0.469 nan 8.280 nan 0.000 0.478 448 R N 1.283 121.976 120.500 0.322 0.000 2.711 448 R HA 0.568 4.974 4.340 0.111 0.000 0.284 448 R C -1.153 175.265 176.300 0.196 0.000 0.968 448 R CA -1.071 55.157 56.100 0.214 0.000 0.924 448 R CB 1.689 32.097 30.300 0.179 0.000 1.162 448 R HN 0.556 nan 8.270 nan 0.000 0.465 449 L N 3.641 124.945 121.223 0.135 0.000 2.483 449 L HA 0.145 4.552 4.340 0.111 0.000 0.276 449 L C -1.537 175.374 176.870 0.068 0.000 1.213 449 L CA -1.413 53.481 54.840 0.091 0.000 0.843 449 L CB 0.045 42.131 42.059 0.045 0.000 1.107 449 L HN 0.338 nan 8.230 nan 0.000 0.487 450 P HA -0.019 nan 4.420 nan 0.000 0.269 450 P C 0.002 177.279 177.300 -0.038 0.000 1.215 450 P CA -0.258 62.855 63.100 0.023 0.000 0.780 450 P CB 0.875 32.598 31.700 0.039 0.000 0.898 451 K N 1.684 122.116 120.400 0.054 0.000 2.026 451 K HA -0.223 4.164 4.320 0.111 0.000 0.208 451 K C 2.225 178.843 176.600 0.031 0.000 1.048 451 K CA 1.484 57.813 56.287 0.071 0.000 0.929 451 K CB -0.572 32.004 32.500 0.127 0.000 0.713 451 K HN 0.632 nan 8.250 nan 0.000 0.439 452 H N 0.818 119.903 119.070 0.025 0.000 2.330 452 H HA -0.229 4.391 4.556 0.106 0.000 0.290 452 H C 1.924 177.270 175.328 0.030 0.000 1.111 452 H CA 2.011 58.061 56.048 0.002 0.000 1.226 452 H CB -0.791 28.961 29.762 -0.017 0.000 1.355 452 H HN 0.278 nan 8.280 nan 0.000 0.485 453 L N 0.472 121.388 121.223 -0.513 0.000 2.156 453 L HA -0.115 4.292 4.340 0.111 0.000 0.208 453 L C 2.645 179.462 176.870 -0.089 0.000 1.095 453 L CA 0.988 55.662 54.840 -0.276 0.000 0.770 453 L CB -0.372 41.494 42.059 -0.323 0.000 0.914 453 L HN 0.220 nan 8.230 nan 0.000 0.439 454 D N 0.395 120.758 120.400 -0.062 0.000 2.104 454 D HA -0.205 4.502 4.640 0.111 0.000 0.194 454 D C 2.043 178.341 176.300 -0.002 0.000 0.994 454 D CA 1.391 55.379 54.000 -0.019 0.000 0.830 454 D CB 0.097 40.898 40.800 0.002 0.000 0.959 454 D HN 0.402 nan 8.370 nan 0.000 0.452 455 E N 0.631 120.854 120.200 0.038 0.000 2.077 455 E HA -0.174 4.243 4.350 0.111 0.000 0.193 455 E C 2.075 178.719 176.600 0.073 0.000 0.989 455 E CA 0.638 57.091 56.400 0.088 0.000 0.800 455 E CB 0.020 29.805 29.700 0.142 0.000 0.746 455 E HN 0.177 nan 8.360 nan 0.000 0.452 456 K N 0.873 121.306 120.400 0.056 0.000 2.059 456 K HA -0.215 4.172 4.320 0.111 0.000 0.212 456 K C 2.058 178.682 176.600 0.039 0.000 1.050 456 K CA 1.639 57.959 56.287 0.055 0.000 0.927 456 K CB -0.083 32.449 32.500 0.053 0.000 0.714 456 K HN -0.008 nan 8.250 nan 0.000 0.447 457 V N 0.944 120.876 119.914 0.030 0.000 2.358 457 V HA -0.205 3.981 4.120 0.111 0.000 0.246 457 V C 2.436 178.585 176.094 0.091 0.000 1.047 457 V CA 1.862 64.191 62.300 0.048 0.000 1.035 457 V CB -0.614 31.219 31.823 0.017 0.000 0.658 457 V HN 0.516 nan 8.190 nan 0.000 0.452 458 A N -0.109 122.715 122.820 0.007 0.000 1.908 458 A HA -0.271 4.116 4.320 0.111 0.000 0.218 458 A C 2.403 180.015 177.584 0.046 0.000 1.181 458 A CA 2.108 54.125 52.037 -0.032 0.000 0.627 458 A CB -0.585 18.380 19.000 -0.058 0.000 0.818 458 A HN 0.466 nan 8.150 nan 0.000 0.445 459 R N -0.541 119.988 120.500 0.049 0.000 2.096 459 R HA -0.084 4.323 4.340 0.111 0.000 0.235 459 R C 1.888 178.189 176.300 0.003 0.000 1.127 459 R CA 1.569 57.694 56.100 0.042 0.000 0.968 459 R CB -0.399 29.935 30.300 0.057 0.000 0.861 459 R HN 0.566 nan 8.270 nan 0.000 0.440 460 I N -0.427 120.114 120.570 -0.048 0.000 2.264 460 I HA -0.278 3.959 4.170 0.111 0.000 0.248 460 I C 1.675 177.628 176.117 -0.274 0.000 1.111 460 I CA 1.581 62.767 61.300 -0.190 0.000 1.382 460 I CB -0.169 37.641 38.000 -0.317 0.000 1.060 460 I HN 0.274 nan 8.210 nan 0.000 0.418 461 H N -1.089 117.957 119.070 -0.041 0.000 2.431 461 H HA 0.009 4.631 4.556 0.110 0.000 0.295 461 H C 2.199 177.614 175.328 0.146 0.000 1.038 461 H CA 0.910 56.998 56.048 0.067 0.000 1.360 461 H CB -0.230 29.483 29.762 -0.081 0.000 1.433 461 H HN 0.019 nan 8.280 nan 0.000 0.536 462 V N 1.210 121.210 119.914 0.143 0.000 2.233 462 V HA -0.308 3.879 4.120 0.111 0.000 0.247 462 V C 2.460 178.559 176.094 0.008 0.000 1.050 462 V CA 2.289 64.626 62.300 0.061 0.000 1.010 462 V CB -0.503 31.339 31.823 0.032 0.000 0.637 462 V HN 0.423 nan 8.190 nan 0.000 0.444 463 E N 1.504 121.702 120.200 -0.003 0.000 2.021 463 E HA -0.269 4.147 4.350 0.111 0.000 0.200 463 E C 2.085 178.679 176.600 -0.009 0.000 1.015 463 E CA 2.275 58.659 56.400 -0.026 0.000 0.824 463 E CB -0.848 28.838 29.700 -0.022 0.000 0.762 463 E HN 0.454 nan 8.360 nan 0.000 0.454 464 A N 0.395 123.233 122.820 0.031 0.000 1.997 464 A HA -0.182 4.204 4.320 0.111 0.000 0.221 464 A C 2.414 180.041 177.584 0.071 0.000 1.172 464 A CA 1.840 53.932 52.037 0.092 0.000 0.645 464 A CB -0.736 18.389 19.000 0.209 0.000 0.813 464 A HN 0.415 nan 8.150 nan 0.000 0.454 465 L N -2.570 118.681 121.223 0.047 0.000 2.375 465 L HA 0.195 4.602 4.340 0.111 0.000 0.215 465 L C 1.755 178.566 176.870 -0.098 0.000 1.108 465 L CA 0.708 55.507 54.840 -0.068 0.000 0.830 465 L CB -0.040 41.970 42.059 -0.082 0.000 0.959 465 L HN 0.629 nan 8.230 nan 0.000 0.457 466 G N -0.325 108.400 108.800 -0.125 0.000 2.168 466 G HA2 -0.184 3.843 3.960 0.111 0.000 0.197 466 G HA3 -0.184 3.843 3.960 0.111 0.000 0.197 466 G C 0.544 175.160 174.900 -0.474 0.000 0.997 466 G CA -0.336 44.625 45.100 -0.232 0.000 0.658 466 G HN 0.457 nan 8.290 nan 0.000 0.513 467 G N -0.066 108.554 108.800 -0.299 0.000 2.380 467 G HA2 0.478 4.504 3.960 0.111 0.000 0.242 467 G HA3 0.478 4.504 3.960 0.111 0.000 0.242 467 G C -0.400 174.277 174.900 -0.373 0.000 1.298 467 G CA -0.061 44.879 45.100 -0.266 0.000 0.878 467 G HN 0.570 nan 8.290 nan 0.000 0.542 468 H N 1.279 120.356 119.070 0.011 0.000 2.595 468 H HA 0.338 4.960 4.556 0.111 0.000 0.313 468 H C 0.202 175.533 175.328 0.004 0.000 1.023 468 H CA -0.665 55.387 56.048 0.008 0.000 1.218 468 H CB 1.318 31.083 29.762 0.004 0.000 1.403 468 H HN 0.263 nan 8.280 nan 0.000 0.477 469 L N 2.706 123.984 121.223 0.092 0.000 2.371 469 L HA 0.245 4.652 4.340 0.111 0.000 0.272 469 L C 0.397 177.288 176.870 0.035 0.000 1.124 469 L CA -0.413 54.453 54.840 0.043 0.000 0.816 469 L CB 1.052 43.123 42.059 0.021 0.000 1.129 469 L HN 0.618 nan 8.230 nan 0.000 0.448 470 T N 2.737 117.293 114.554 0.002 0.000 2.832 470 T HA 0.110 4.527 4.350 0.111 0.000 0.296 470 T C 0.072 174.759 174.700 -0.021 0.000 0.968 470 T CA -0.351 61.744 62.100 -0.008 0.000 1.107 470 T CB 0.762 69.618 68.868 -0.020 0.000 0.916 470 T HN 0.382 nan 8.240 nan 0.000 0.517 471 K N 4.465 124.865 120.400 0.001 0.000 2.262 471 K HA 0.288 4.675 4.320 0.111 0.000 0.282 471 K C -0.143 176.464 176.600 0.012 0.000 1.066 471 K CA -0.591 55.705 56.287 0.015 0.000 0.901 471 K CB 0.334 32.854 32.500 0.033 0.000 1.089 471 K HN 0.565 nan 8.250 nan 0.000 0.476 472 L N 4.666 125.900 121.223 0.019 0.000 2.601 472 L HA -0.052 4.355 4.340 0.111 0.000 0.277 472 L C 1.112 178.005 176.870 0.037 0.000 1.219 472 L CA 0.194 55.052 54.840 0.030 0.000 0.915 472 L CB 0.119 42.221 42.059 0.071 0.000 1.160 472 L HN 0.831 nan 8.230 nan 0.000 0.494 473 T N 0.131 114.698 114.554 0.021 0.000 2.795 473 T HA 0.005 4.422 4.350 0.111 0.000 0.314 473 T C 1.122 175.842 174.700 0.035 0.000 1.069 473 T CA -0.211 61.902 62.100 0.021 0.000 1.071 473 T CB 0.937 69.808 68.868 0.006 0.000 0.988 473 T HN 0.734 nan 8.240 nan 0.000 0.543 474 K N 0.880 121.299 120.400 0.032 0.000 2.059 474 K HA -0.241 4.145 4.320 0.111 0.000 0.212 474 K C 1.982 178.609 176.600 0.045 0.000 1.050 474 K CA 2.220 58.530 56.287 0.037 0.000 0.927 474 K CB -0.333 32.184 32.500 0.029 0.000 0.714 474 K HN 0.718 nan 8.250 nan 0.000 0.447 475 E N 0.698 120.920 120.200 0.036 0.000 2.077 475 E HA -0.177 4.239 4.350 0.111 0.000 0.193 475 E C 2.175 178.812 176.600 0.063 0.000 0.989 475 E CA 1.518 57.944 56.400 0.043 0.000 0.800 475 E CB -0.120 29.589 29.700 0.016 0.000 0.746 475 E HN 0.442 nan 8.360 nan 0.000 0.452 476 Q N -0.280 119.543 119.800 0.038 0.000 2.084 476 Q HA -0.075 4.332 4.340 0.111 0.000 0.202 476 Q C 2.055 178.128 176.000 0.120 0.000 0.978 476 Q CA 1.571 57.403 55.803 0.049 0.000 0.844 476 Q CB -0.182 28.564 28.738 0.013 0.000 0.898 476 Q HN 0.331 nan 8.270 nan 0.000 0.426 477 A N 0.359 123.240 122.820 0.103 0.000 2.119 477 A HA -0.134 4.252 4.320 0.111 0.000 0.216 477 A C 1.602 179.248 177.584 0.103 0.000 1.152 477 A CA 0.871 52.975 52.037 0.112 0.000 0.708 477 A CB -0.124 18.936 19.000 0.101 0.000 0.805 477 A HN 0.294 nan 8.150 nan 0.000 0.460 478 E N -1.689 118.574 120.200 0.105 0.000 2.107 478 E HA -0.152 4.265 4.350 0.111 0.000 0.191 478 E C 1.630 178.300 176.600 0.117 0.000 0.982 478 E CA 1.133 57.588 56.400 0.092 0.000 0.809 478 E CB -0.238 29.512 29.700 0.083 0.000 0.756 478 E HN 0.790 nan 8.360 nan 0.000 0.459 479 Y N 0.552 120.865 120.300 0.021 0.000 2.314 479 Y HA -0.065 4.551 4.550 0.111 0.000 0.293 479 Y C 1.559 177.472 175.900 0.021 0.000 1.129 479 Y CA 1.112 59.224 58.100 0.019 0.000 1.201 479 Y CB 0.287 38.758 38.460 0.017 0.000 0.999 479 Y HN -0.041 nan 8.280 nan 0.000 0.541 480 L N -0.783 120.542 121.223 0.170 0.000 2.585 480 L HA 0.256 4.662 4.340 0.111 0.000 0.226 480 L C 1.346 178.241 176.870 0.042 0.000 1.113 480 L CA 0.448 55.344 54.840 0.093 0.000 0.876 480 L CB -0.450 41.691 42.059 0.136 0.000 1.072 480 L HN 0.343 nan 8.230 nan 0.000 0.468 481 G N 1.903 110.725 108.800 0.036 0.000 2.338 481 G HA2 -0.203 3.823 3.960 0.111 0.000 0.296 481 G HA3 -0.203 3.823 3.960 0.111 0.000 0.296 481 G C -0.075 174.843 174.900 0.029 0.000 1.040 481 G CA 0.548 45.662 45.100 0.023 0.000 1.004 481 G HN 0.352 nan 8.290 nan 0.000 0.509 482 V N -3.843 116.099 119.914 0.047 0.000 3.188 482 V HA 0.830 5.017 4.120 0.111 0.000 0.305 482 V C -0.534 175.582 176.094 0.038 0.000 1.232 482 V CA -1.480 60.843 62.300 0.038 0.000 1.043 482 V CB 2.278 34.152 31.823 0.085 0.000 1.068 482 V HN 0.080 nan 8.190 nan 0.000 0.439 483 D N 1.305 121.699 120.400 -0.009 0.000 2.304 483 D HA 0.380 5.087 4.640 0.111 0.000 0.247 483 D C 1.302 177.625 176.300 0.039 0.000 1.089 483 D CA -0.176 53.821 54.000 -0.005 0.000 0.910 483 D CB 2.231 43.004 40.800 -0.045 0.000 1.199 483 D HN 0.428 nan 8.370 nan 0.000 0.426 484 V N 1.799 121.761 119.914 0.079 0.000 2.453 484 V HA -0.246 3.941 4.120 0.111 0.000 0.252 484 V C 1.818 178.040 176.094 0.214 0.000 1.068 484 V CA 1.824 64.215 62.300 0.152 0.000 1.070 484 V CB -0.358 31.523 31.823 0.096 0.000 0.664 484 V HN 0.556 nan 8.190 nan 0.000 0.461 485 E N -1.092 119.149 120.200 0.069 0.000 2.463 485 E HA 0.400 4.817 4.350 0.111 0.000 0.193 485 E C 0.767 177.248 176.600 -0.197 0.000 1.041 485 E CA 0.489 56.910 56.400 0.035 0.000 0.879 485 E CB 0.563 30.271 29.700 0.013 0.000 0.997 485 E HN 0.628 nan 8.360 nan 0.000 0.478 486 G N 1.762 110.196 108.800 -0.611 0.000 2.712 486 G HA2 -0.173 3.854 3.960 0.111 0.000 0.683 486 G HA3 -0.173 3.854 3.960 0.111 0.000 0.683 486 G C -2.685 171.961 174.900 -0.423 0.000 1.320 486 G CA -0.889 43.574 45.100 -1.062 0.000 0.847 486 G HN 0.014 nan 8.290 nan 0.000 0.553 487 P HA 0.351 nan 4.420 nan 0.000 0.275 487 P C -0.216 176.878 177.300 -0.344 0.000 1.228 487 P CA -0.038 62.862 63.100 -0.332 0.000 0.786 487 P CB 0.304 31.964 31.700 -0.066 0.000 0.927 488 Y N -0.215 120.098 120.300 0.022 0.000 2.457 488 Y HA 0.184 4.802 4.550 0.113 0.000 0.263 488 Y C 1.073 176.905 175.900 -0.114 0.000 1.164 488 Y CA 0.125 58.208 58.100 -0.028 0.000 1.274 488 Y CB 0.475 38.925 38.460 -0.018 0.000 1.097 488 Y HN 0.080 nan 8.280 nan 0.000 0.523 489 K N 0.030 120.420 120.400 -0.017 0.000 2.508 489 K HA 0.411 4.798 4.320 0.111 0.000 0.260 489 K C -2.996 173.536 176.600 -0.114 0.000 0.949 489 K CA -2.183 53.989 56.287 -0.191 0.000 0.834 489 K CB 1.397 33.654 32.500 -0.405 0.000 1.365 489 K HN -0.236 nan 8.250 nan 0.000 0.437 490 P HA 0.034 nan 4.420 nan 0.000 0.269 490 P C 0.402 177.587 177.300 -0.192 0.000 1.215 490 P CA 0.000 62.970 63.100 -0.217 0.000 0.780 490 P CB 0.526 31.912 31.700 -0.523 0.000 0.898 491 D N 0.482 120.851 120.400 -0.052 0.000 2.265 491 D HA -0.216 4.490 4.640 0.111 0.000 0.208 491 D C 1.068 177.430 176.300 0.104 0.000 0.977 491 D CA 1.506 55.550 54.000 0.074 0.000 0.871 491 D CB -0.196 40.684 40.800 0.133 0.000 0.925 491 D HN 0.629 nan 8.370 nan 0.000 0.485 492 H N -3.287 115.854 119.070 0.119 0.000 2.549 492 H HA 0.181 4.803 4.556 0.110 0.000 0.279 492 H C -0.264 175.115 175.328 0.085 0.000 1.018 492 H CA -0.749 55.354 56.048 0.092 0.000 1.175 492 H CB -1.110 28.686 29.762 0.057 0.000 1.485 492 H HN 0.092 nan 8.280 nan 0.000 0.543 493 Y N 2.354 122.466 120.300 -0.313 0.000 2.620 493 Y HA 0.057 4.673 4.550 0.110 0.000 0.330 493 Y C 1.004 176.791 175.900 -0.189 0.000 1.186 493 Y CA 0.114 58.022 58.100 -0.320 0.000 1.467 493 Y CB 0.583 38.736 38.460 -0.512 0.000 1.262 493 Y HN 0.176 nan 8.280 nan 0.000 0.550 494 R N 3.637 123.742 120.500 -0.658 0.000 2.365 494 R HA 0.107 4.513 4.340 0.111 0.000 0.223 494 R C -0.857 175.393 176.300 -0.083 0.000 0.899 494 R CA -0.175 55.795 56.100 -0.216 0.000 1.059 494 R CB 0.137 30.330 30.300 -0.178 0.000 1.086 494 R HN 0.829 nan 8.270 nan 0.000 0.522 495 Y N 0.000 120.063 120.300 -0.395 0.000 2.660 495 Y HA 0.000 4.616 4.550 0.110 0.000 0.201 495 Y CA 0.000 58.093 58.100 -0.012 0.000 1.940 495 Y CB 0.000 38.559 38.460 0.166 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758