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 3lii_1_B DATA FIRST_RESID 5 DATA SEQUENCE DAELLVTVRG GRLRGIRLKT PGGPVSAFLG IPFAEPPMGP RRFLPPEPKQ DATA SEQUENCE PWSGVVDATT FQSVcYQYVD TLYPGFEGTE MWNPNRELSE DcLYLNVWTP DATA SEQUENCE YPRPTSPTPV LVWIYGGGFY SGASSLDVYD GRFLVQAERT VLVSMNYRVG DATA SEQUENCE AFGFLALPGS REAPGNVGLL DQRLALQWVQ ENVAAFGGDP TSVTLFGESA DATA SEQUENCE GAASVGMHLL SPPSRGLFHR AVLQSGAPNG PWATVGMGEA RRRATQLAHL DATA SEQUENCE VGCPXXXXXX NDTELVACLR TRPAQVLVNH EWHVLPQESV FRFSFVPVVD DATA SEQUENCE GDFLSDTPEA LINAGDFHGL QVLVGVVKDE GSYFLVYGAP GFSKDNESLI DATA SEQUENCE SRAEFLAGVR VGVPQVSDLA AEAVVLHYTD WLHPEDPARL REALSDVVGD DATA SEQUENCE HNVVcPVAQL AGRLAAQGAR VYAYVFEHRA STLSWPLWMG VPHGYEIEFI DATA SEQUENCE FGIPLDPSRN YTAEEKIFAQ RLMRYWANFA RTGDPNEPXD PKAPQWPPYT DATA SEQUENCE AGAQQYVSLD LRPLEVRRGL RAQAcAFWNR FLPKLLSAT 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.320 176.300 0.034 0.000 2.045 5 D CA 0.000 54.027 54.000 0.045 0.000 0.868 5 D CB 0.000 40.857 40.800 0.094 0.000 0.688 6 A N 0.739 123.568 122.820 0.015 0.000 1.477 6 A HA -0.452 3.868 4.320 0.000 0.000 0.224 6 A C 1.900 179.473 177.584 -0.017 0.000 0.593 6 A CA 2.400 54.435 52.037 -0.003 0.000 1.095 6 A CB -1.066 17.929 19.000 -0.008 0.000 1.465 6 A HN 0.320 nan 8.150 nan 0.000 0.719 7 E N -0.188 119.984 120.200 -0.047 0.000 2.169 7 E HA -0.212 4.138 4.350 0.000 0.000 0.202 7 E C 1.750 178.361 176.600 0.018 0.000 1.016 7 E CA 1.800 58.130 56.400 -0.117 0.000 0.817 7 E CB -0.359 29.129 29.700 -0.353 0.000 0.736 7 E HN 0.880 nan 8.360 nan 0.000 0.462 8 L N -0.278 120.960 121.223 0.025 0.000 2.766 8 L HA 0.253 4.593 4.340 0.000 0.000 0.242 8 L C 0.278 177.158 176.870 0.017 0.000 1.136 8 L CA -0.180 54.646 54.840 -0.023 0.000 0.933 8 L CB 0.162 42.155 42.059 -0.110 0.000 1.241 8 L HN -0.100 nan 8.230 nan 0.000 0.522 9 L N 0.180 121.443 121.223 0.067 0.000 2.325 9 L HA 0.713 5.053 4.340 0.000 0.000 0.278 9 L C -0.376 176.551 176.870 0.096 0.000 1.023 9 L CA -0.570 54.326 54.840 0.093 0.000 0.811 9 L CB 2.193 44.280 42.059 0.048 0.000 1.249 9 L HN -0.303 nan 8.230 nan 0.000 0.431 10 V N 0.375 120.355 119.914 0.110 0.000 3.188 10 V HA 0.610 4.730 4.120 0.000 0.000 0.305 10 V C -0.673 175.403 176.094 -0.029 0.000 1.232 10 V CA -0.450 61.819 62.300 -0.052 0.000 1.043 10 V CB 2.961 34.608 31.823 -0.294 0.000 1.068 10 V HN 0.827 nan 8.190 nan 0.000 0.439 11 T N 1.622 116.107 114.554 -0.114 0.000 2.848 11 T HA 0.722 5.072 4.350 0.000 0.000 0.285 11 T C -0.963 173.673 174.700 -0.107 0.000 0.995 11 T CA -0.383 61.667 62.100 -0.084 0.000 0.970 11 T CB 1.778 70.591 68.868 -0.092 0.000 0.976 11 T HN 0.387 nan 8.240 nan 0.000 0.441 12 V N 2.675 122.550 119.914 -0.066 0.000 2.960 12 V HA 0.436 4.556 4.120 0.000 0.000 0.315 12 V C 1.336 177.353 176.094 -0.128 0.000 1.087 12 V CA -1.003 61.274 62.300 -0.039 0.000 0.982 12 V CB 2.118 34.069 31.823 0.213 0.000 1.039 12 V HN 0.873 nan 8.190 nan 0.000 0.437 13 R N 1.933 122.352 120.500 -0.134 0.000 2.371 13 R HA -0.102 4.238 4.340 0.000 0.000 0.226 13 R C 1.423 177.626 176.300 -0.161 0.000 1.132 13 R CA 1.724 57.746 56.100 -0.130 0.000 1.027 13 R CB -0.224 30.015 30.300 -0.103 0.000 0.848 13 R HN 0.898 nan 8.270 nan 0.000 0.479 14 G N -1.978 106.670 108.800 -0.254 0.000 3.228 14 G HA2 0.447 4.407 3.960 0.000 0.000 0.245 14 G HA3 0.447 4.407 3.960 0.000 0.000 0.245 14 G C 0.041 174.146 174.900 -1.325 0.000 1.051 14 G CA 0.225 45.037 45.100 -0.480 0.000 0.809 14 G HN 0.533 nan 8.290 nan 0.000 0.531 15 G N -0.598 107.448 108.800 -1.256 0.000 2.359 15 G HA2 0.289 4.249 3.960 0.000 0.000 0.293 15 G HA3 0.289 4.249 3.960 0.000 0.000 0.293 15 G C -1.222 173.374 174.900 -0.506 0.000 1.300 15 G CA -1.104 43.163 45.100 -1.389 0.000 0.888 15 G HN 0.310 nan 8.290 nan 0.000 0.541 16 R N -1.224 119.229 120.500 -0.079 0.000 2.543 16 R HA 0.803 5.143 4.340 0.000 0.000 0.268 16 R C -0.520 176.040 176.300 0.434 0.000 1.067 16 R CA -0.435 55.760 56.100 0.159 0.000 1.142 16 R CB 0.699 31.071 30.300 0.121 0.000 1.110 16 R HN 0.428 nan 8.270 nan 0.000 0.549 17 L N 1.486 122.911 121.223 0.338 0.000 2.470 17 L HA 0.457 4.797 4.340 0.000 0.000 0.268 17 L C -0.562 176.453 176.870 0.242 0.000 0.964 17 L CA -0.618 54.450 54.840 0.379 0.000 0.839 17 L CB 2.146 44.526 42.059 0.536 0.000 1.276 17 L HN 0.472 nan 8.230 nan 0.000 0.403 18 R N 1.649 122.224 120.500 0.125 0.000 2.204 18 R HA 0.538 4.878 4.340 0.000 0.000 0.341 18 R C 0.330 176.524 176.300 -0.177 0.000 1.035 18 R CA -0.195 55.900 56.100 -0.008 0.000 0.887 18 R CB 1.069 31.362 30.300 -0.012 0.000 1.114 18 R HN 0.830 nan 8.270 nan 0.000 0.473 19 G N 3.236 111.759 108.800 -0.461 0.000 2.553 19 G HA2 0.310 4.270 3.960 0.000 0.000 0.278 19 G HA3 0.310 4.270 3.960 0.000 0.000 0.278 19 G C -0.692 173.895 174.900 -0.522 0.000 1.349 19 G CA -0.554 43.957 45.100 -0.983 0.000 1.037 19 G HN 0.648 nan 8.290 nan 0.000 0.508 20 I N -1.032 119.241 120.570 -0.495 0.000 2.586 20 I HA 0.443 4.613 4.170 0.000 0.000 0.288 20 I C 0.023 176.043 176.117 -0.162 0.000 1.147 20 I CA -0.960 60.187 61.300 -0.255 0.000 1.047 20 I CB 1.713 39.580 38.000 -0.222 0.000 1.244 20 I HN 0.607 nan 8.210 nan 0.000 0.429 21 R N 7.122 127.586 120.500 -0.060 0.000 2.641 21 R HA 0.659 4.999 4.340 0.000 0.000 0.269 21 R C -1.698 174.607 176.300 0.007 0.000 1.074 21 R CA -0.039 56.084 56.100 0.038 0.000 1.133 21 R CB 0.810 31.157 30.300 0.077 0.000 1.029 21 R HN 0.735 nan 8.270 nan 0.000 0.488 22 L N 2.383 123.632 121.223 0.042 0.000 2.424 22 L HA 0.436 4.776 4.340 0.000 0.000 0.258 22 L C -1.004 175.861 176.870 -0.008 0.000 0.995 22 L CA -1.235 53.616 54.840 0.019 0.000 0.821 22 L CB 2.643 44.733 42.059 0.052 0.000 1.383 22 L HN 0.673 nan 8.230 nan 0.000 0.410 23 K N 0.929 121.305 120.400 -0.039 0.000 2.316 23 K HA 0.610 4.930 4.320 0.000 0.000 0.267 23 K C -1.128 175.418 176.600 -0.091 0.000 1.025 23 K CA -0.452 55.804 56.287 -0.052 0.000 0.896 23 K CB 1.383 33.866 32.500 -0.029 0.000 1.124 23 K HN 0.345 nan 8.250 nan 0.000 0.451 24 T N 3.321 117.827 114.554 -0.079 0.000 2.841 24 T HA 0.198 4.548 4.350 0.000 0.000 0.285 24 T C -2.062 172.636 174.700 -0.004 0.000 0.991 24 T CA -1.792 60.256 62.100 -0.088 0.000 0.966 24 T CB 1.669 70.467 68.868 -0.116 0.000 0.962 24 T HN 0.237 nan 8.240 nan 0.000 0.438 25 P HA -0.112 nan 4.420 nan 0.000 0.223 25 P C 1.225 178.553 177.300 0.047 0.000 1.138 25 P CA 1.053 64.192 63.100 0.066 0.000 0.787 25 P CB 0.088 31.857 31.700 0.115 0.000 0.752 26 G N -3.226 105.597 108.800 0.039 0.000 2.801 26 G HA2 0.463 4.423 3.960 0.000 0.000 0.213 26 G HA3 0.463 4.423 3.960 0.000 0.000 0.213 26 G C 0.491 175.398 174.900 0.012 0.000 1.052 26 G CA 0.537 45.653 45.100 0.027 0.000 0.868 26 G HN 0.511 nan 8.290 nan 0.000 0.589 27 G N -0.518 108.282 108.800 0.001 0.000 2.561 27 G HA2 0.662 4.622 3.960 0.000 0.000 0.310 27 G HA3 0.662 4.622 3.960 0.000 0.000 0.310 27 G C -3.535 171.353 174.900 -0.020 0.000 1.292 27 G CA -0.642 44.457 45.100 -0.002 0.000 0.811 27 G HN 0.084 nan 8.290 nan 0.000 0.482 28 P HA 0.787 nan 4.420 nan 0.000 0.294 28 P C -1.456 175.918 177.300 0.124 0.000 1.297 28 P CA -1.021 62.077 63.100 -0.003 0.000 1.025 28 P CB 3.003 34.621 31.700 -0.135 0.000 1.457 29 V N -0.682 119.338 119.914 0.176 0.000 2.932 29 V HA 0.354 4.474 4.120 0.000 0.000 0.307 29 V C -0.206 176.073 176.094 0.308 0.000 1.147 29 V CA -0.596 61.863 62.300 0.265 0.000 0.951 29 V CB 2.032 33.995 31.823 0.233 0.000 1.031 29 V HN 0.494 nan 8.190 nan 0.000 0.426 30 S N 2.602 118.495 115.700 0.322 0.000 2.545 30 S HA 0.792 5.262 4.470 0.000 0.000 0.275 30 S C 0.089 174.878 174.600 0.315 0.000 1.299 30 S CA -0.195 58.176 58.200 0.285 0.000 1.048 30 S CB 1.418 64.811 63.200 0.321 0.000 0.938 30 S HN 1.230 nan 8.310 nan 0.000 0.496 31 A N 2.517 125.394 122.820 0.095 0.000 2.414 31 A HA 0.799 5.119 4.320 0.000 0.000 0.306 31 A C -1.160 176.376 177.584 -0.080 0.000 1.054 31 A CA -0.768 51.240 52.037 -0.050 0.000 0.724 31 A CB 0.804 19.545 19.000 -0.433 0.000 1.267 31 A HN 0.764 nan 8.150 nan 0.000 0.418 32 F N 2.848 122.628 119.950 -0.283 0.000 2.532 32 F HA 0.396 4.923 4.527 -0.000 0.000 0.365 32 F C -0.237 175.406 175.800 -0.262 0.000 1.112 32 F CA -0.521 57.393 58.000 -0.144 0.000 1.082 32 F CB 1.277 40.361 39.000 0.140 0.000 1.319 32 F HN 0.323 nan 8.300 nan 0.000 0.457 33 L N 2.576 123.660 121.223 -0.232 0.000 2.312 33 L HA 0.627 4.967 4.340 0.000 0.000 0.281 33 L C 0.991 177.784 176.870 -0.128 0.000 1.070 33 L CA -0.644 54.001 54.840 -0.324 0.000 0.805 33 L CB 1.294 42.941 42.059 -0.686 0.000 1.174 33 L HN 0.914 nan 8.230 nan 0.000 0.434 34 G N 3.203 111.995 108.800 -0.013 0.000 2.182 34 G HA2 -0.249 3.711 3.960 0.000 0.000 0.248 34 G HA3 -0.249 3.711 3.960 0.000 0.000 0.248 34 G C -0.005 174.988 174.900 0.155 0.000 1.042 34 G CA -0.444 44.679 45.100 0.039 0.000 0.775 34 G HN 0.547 nan 8.290 nan 0.000 0.501 35 I N 2.009 122.660 120.570 0.136 0.000 2.581 35 I HA 0.169 4.339 4.170 0.000 0.000 0.285 35 I C -1.369 174.794 176.117 0.077 0.000 1.129 35 I CA -1.683 59.684 61.300 0.111 0.000 1.397 35 I CB 0.514 38.555 38.000 0.068 0.000 1.399 35 I HN -0.018 nan 8.210 nan 0.000 0.537 36 P HA -0.025 nan 4.420 nan 0.000 0.271 36 P C -0.124 177.082 177.300 -0.156 0.000 1.233 36 P CA 0.116 63.024 63.100 -0.320 0.000 0.764 36 P CB 0.298 31.812 31.700 -0.310 0.000 0.825 37 F N 1.832 121.591 119.950 -0.318 0.000 2.682 37 F HA 0.704 5.231 4.527 -0.000 0.000 0.308 37 F C 0.028 175.784 175.800 -0.074 0.000 1.093 37 F CA -0.891 57.003 58.000 -0.177 0.000 1.244 37 F CB 0.244 39.040 39.000 -0.340 0.000 1.052 37 F HN 0.299 nan 8.300 nan 0.000 0.573 38 A N 0.091 122.620 122.820 -0.485 0.000 2.572 38 A HA 0.588 4.908 4.320 0.000 0.000 0.295 38 A C -0.940 176.481 177.584 -0.272 0.000 1.072 38 A CA -0.748 51.122 52.037 -0.279 0.000 0.691 38 A CB 0.989 19.794 19.000 -0.324 0.000 1.291 38 A HN 0.051 nan 8.150 nan 0.000 0.404 39 E N 1.742 121.870 120.200 -0.121 0.000 2.366 39 E HA 0.250 4.600 4.350 0.000 0.000 0.266 39 E C -2.295 174.230 176.600 -0.124 0.000 1.015 39 E CA -1.393 54.952 56.400 -0.091 0.000 0.906 39 E CB 0.085 29.771 29.700 -0.023 0.000 0.979 39 E HN 0.261 nan 8.360 nan 0.000 0.443 40 P HA -0.031 nan 4.420 nan 0.000 0.260 40 P C -2.322 174.927 177.300 -0.086 0.000 1.172 40 P CA -0.604 62.426 63.100 -0.117 0.000 0.760 40 P CB -0.071 31.589 31.700 -0.066 0.000 0.773 41 P HA 0.165 nan 4.420 nan 0.000 0.247 41 P C -0.731 176.519 177.300 -0.083 0.000 1.756 41 P CA 0.553 63.610 63.100 -0.072 0.000 1.117 41 P CB 0.139 31.799 31.700 -0.066 0.000 1.869 42 M N 0.728 120.284 119.600 -0.073 0.000 2.501 42 M HA 0.426 4.906 4.480 0.000 0.000 0.293 42 M C 1.084 177.340 176.300 -0.072 0.000 1.192 42 M CA -0.365 54.887 55.300 -0.080 0.000 0.886 42 M CB 2.466 35.029 32.600 -0.062 0.000 1.710 42 M HN 0.392 nan 8.290 nan 0.000 0.457 43 G N 2.610 111.360 108.800 -0.082 0.000 3.024 43 G HA2 -0.270 3.690 3.960 0.000 0.000 0.339 43 G HA3 -0.270 3.690 3.960 0.000 0.000 0.339 43 G C -1.552 173.313 174.900 -0.058 0.000 1.200 43 G CA 0.641 45.704 45.100 -0.062 0.000 0.968 43 G HN 0.561 nan 8.290 nan 0.000 0.593 44 P HA 0.145 nan 4.420 nan 0.000 0.235 44 P C 1.388 178.679 177.300 -0.015 0.000 1.177 44 P CA 0.938 64.029 63.100 -0.014 0.000 0.785 44 P CB 0.108 31.808 31.700 0.000 0.000 0.885 45 R N -0.121 120.360 120.500 -0.033 0.000 2.388 45 R HA 0.142 4.482 4.340 0.000 0.000 0.247 45 R C 1.086 177.352 176.300 -0.057 0.000 0.931 45 R CA -0.302 55.783 56.100 -0.025 0.000 1.082 45 R CB 0.044 30.331 30.300 -0.021 0.000 1.135 45 R HN 0.098 nan 8.270 nan 0.000 0.525 46 R N 0.436 120.857 120.500 -0.132 0.000 2.390 46 R HA -0.007 4.333 4.340 0.000 0.000 0.291 46 R C -0.591 175.546 176.300 -0.272 0.000 1.070 46 R CA 0.171 56.100 56.100 -0.285 0.000 1.014 46 R CB 0.332 30.353 30.300 -0.465 0.000 1.007 46 R HN 0.064 nan 8.270 nan 0.000 0.466 47 F N 0.318 120.280 119.950 0.020 0.000 2.411 47 F HA -0.237 4.290 4.527 0.000 0.000 0.393 47 F C -0.426 175.366 175.800 -0.014 0.000 0.576 47 F CA 0.123 58.113 58.000 -0.017 0.000 1.609 47 F CB -1.672 37.309 39.000 -0.033 0.000 2.186 47 F HN 0.421 nan 8.300 nan 0.000 0.274 48 L N 0.599 121.907 121.223 0.141 0.000 2.358 48 L HA 0.519 4.859 4.340 0.000 0.000 0.268 48 L C -1.704 175.206 176.870 0.065 0.000 1.032 48 L CA -1.777 53.118 54.840 0.092 0.000 0.805 48 L CB 1.081 43.179 42.059 0.066 0.000 1.253 48 L HN -0.381 nan 8.230 nan 0.000 0.452 49 P HA 0.106 nan 4.420 nan 0.000 0.271 49 P C -2.513 174.825 177.300 0.062 0.000 1.233 49 P CA -0.698 62.441 63.100 0.066 0.000 0.789 49 P CB -0.177 31.569 31.700 0.077 0.000 0.951 50 P HA 0.231 nan 4.420 nan 0.000 0.274 50 P C -0.699 176.647 177.300 0.077 0.000 1.231 50 P CA 0.049 63.192 63.100 0.072 0.000 0.790 50 P CB 0.562 32.339 31.700 0.128 0.000 0.951 51 E N 2.089 122.323 120.200 0.056 0.000 2.202 51 E HA 0.384 4.734 4.350 0.000 0.000 0.272 51 E C -2.261 174.393 176.600 0.089 0.000 0.951 51 E CA -2.217 54.225 56.400 0.069 0.000 0.813 51 E CB 0.568 30.297 29.700 0.049 0.000 1.151 51 E HN 0.347 nan 8.360 nan 0.000 0.398 52 P HA 0.016 nan 4.420 nan 0.000 0.271 52 P C -0.845 176.544 177.300 0.148 0.000 1.218 52 P CA -0.485 62.716 63.100 0.168 0.000 0.780 52 P CB 0.472 32.275 31.700 0.170 0.000 0.901 53 K N 3.476 123.985 120.400 0.182 0.000 2.402 53 K HA -0.034 4.286 4.320 0.000 0.000 0.279 53 K C 0.272 177.006 176.600 0.223 0.000 1.082 53 K CA 0.465 56.853 56.287 0.168 0.000 1.080 53 K CB -0.571 32.055 32.500 0.210 0.000 0.899 53 K HN 0.257 nan 8.250 nan 0.000 0.469 54 Q N 4.415 124.317 119.800 0.169 0.000 2.326 54 Q HA 0.006 4.346 4.340 0.000 0.000 0.314 54 Q C -1.941 174.212 176.000 0.254 0.000 1.091 54 Q CA -1.024 54.881 55.803 0.170 0.000 0.974 54 Q CB -0.180 28.634 28.738 0.126 0.000 1.220 54 Q HN 0.554 nan 8.270 nan 0.000 0.398 55 P HA 0.155 nan 4.420 nan 0.000 0.273 55 P C -0.984 176.469 177.300 0.255 0.000 1.250 55 P CA -0.214 62.971 63.100 0.141 0.000 0.793 55 P CB 0.325 32.027 31.700 0.003 0.000 1.011 56 W N -1.012 120.328 121.300 0.066 0.000 3.274 56 W HA 0.624 5.283 4.660 -0.000 0.000 0.327 56 W C -1.242 175.308 176.519 0.051 0.000 1.172 56 W CA -0.729 56.652 57.345 0.059 0.000 1.217 56 W CB -0.018 29.485 29.460 0.071 0.000 1.376 56 W HN 0.103 nan 8.180 nan 0.000 0.507 57 S N 2.873 118.725 115.700 0.253 0.000 2.579 57 S HA 0.523 4.993 4.470 0.000 0.000 0.275 57 S C 0.833 175.584 174.600 0.252 0.000 1.345 57 S CA 1.162 59.462 58.200 0.165 0.000 1.031 57 S CB 0.423 63.700 63.200 0.128 0.000 0.892 57 S HN 1.614 nan 8.310 nan 0.000 0.529 58 G N 0.427 109.320 108.800 0.155 0.000 2.692 58 G HA2 -0.180 3.780 3.960 0.000 0.000 0.248 58 G HA3 -0.180 3.780 3.960 0.000 0.000 0.248 58 G C -0.186 174.876 174.900 0.270 0.000 1.340 58 G CA -0.236 44.964 45.100 0.167 0.000 0.896 58 G HN 1.740 nan 8.290 nan 0.000 0.570 59 V N -1.657 118.393 119.914 0.227 0.000 2.435 59 V HA 0.771 4.891 4.120 0.000 0.000 0.290 59 V C 0.548 176.778 176.094 0.228 0.000 1.030 59 V CA -0.560 61.901 62.300 0.270 0.000 0.881 59 V CB 1.556 33.478 31.823 0.165 0.000 0.983 59 V HN 1.330 nan 8.190 nan 0.000 0.445 60 V N 4.992 125.079 119.914 0.289 0.000 2.546 60 V HA 0.289 4.409 4.120 0.000 0.000 0.284 60 V C 0.277 176.394 176.094 0.038 0.000 1.050 60 V CA -0.049 62.271 62.300 0.033 0.000 0.981 60 V CB 1.528 33.205 31.823 -0.243 0.000 0.990 60 V HN 1.188 nan 8.190 nan 0.000 0.474 61 D N 4.274 124.653 120.400 -0.034 0.000 2.382 61 D HA 0.469 5.109 4.640 0.000 0.000 0.245 61 D C 0.211 176.475 176.300 -0.060 0.000 1.120 61 D CA 0.368 54.340 54.000 -0.046 0.000 0.890 61 D CB 1.339 42.098 40.800 -0.069 0.000 1.201 61 D HN 0.673 nan 8.370 nan 0.000 0.433 62 A N 2.532 125.305 122.820 -0.079 0.000 2.843 62 A HA 0.213 4.533 4.320 0.000 0.000 0.248 62 A C 0.759 178.229 177.584 -0.191 0.000 0.904 62 A CA 0.022 52.005 52.037 -0.090 0.000 1.091 62 A CB -0.350 18.663 19.000 0.023 0.000 1.208 62 A HN 0.580 nan 8.150 nan 0.000 0.476 63 T N -3.871 110.570 114.554 -0.187 0.000 3.040 63 T HA 0.329 4.679 4.350 0.000 0.000 0.250 63 T C 0.535 175.094 174.700 -0.236 0.000 1.058 63 T CA 0.754 62.727 62.100 -0.211 0.000 0.988 63 T CB 0.268 69.044 68.868 -0.153 0.000 0.993 63 T HN 0.447 nan 8.240 nan 0.000 0.519 64 T N 0.832 115.242 114.554 -0.240 0.000 3.105 64 T HA 0.524 4.874 4.350 0.000 0.000 0.321 64 T C -1.531 173.050 174.700 -0.198 0.000 1.135 64 T CA -0.801 61.173 62.100 -0.210 0.000 1.053 64 T CB 0.450 69.244 68.868 -0.123 0.000 1.133 64 T HN 0.112 nan 8.240 nan 0.000 0.463 65 F N 3.995 123.897 119.950 -0.081 0.000 2.602 65 F HA 0.199 4.726 4.527 0.000 0.000 0.385 65 F C 1.560 177.280 175.800 -0.133 0.000 1.063 65 F CA 0.214 58.171 58.000 -0.073 0.000 1.233 65 F CB 0.511 39.496 39.000 -0.025 0.000 1.067 65 F HN 0.433 nan 8.300 nan 0.000 0.564 66 Q N 1.417 121.228 119.800 0.019 0.000 2.526 66 Q HA 0.142 4.482 4.340 0.000 0.000 0.207 66 Q C 0.071 175.994 176.000 -0.128 0.000 1.078 66 Q CA -0.189 55.477 55.803 -0.228 0.000 1.041 66 Q CB 0.946 29.313 28.738 -0.617 0.000 1.228 66 Q HN 0.728 nan 8.270 nan 0.000 0.603 67 S N -0.712 114.871 115.700 -0.194 0.000 2.549 67 S HA 0.215 4.685 4.470 0.000 0.000 0.283 67 S C 0.347 174.912 174.600 -0.060 0.000 1.320 67 S CA -0.851 57.282 58.200 -0.112 0.000 1.058 67 S CB 0.484 63.618 63.200 -0.109 0.000 0.882 67 S HN 0.340 nan 8.310 nan 0.000 0.498 68 V N 2.227 122.087 119.914 -0.091 0.000 2.872 68 V HA 0.012 4.132 4.120 0.000 0.000 0.307 68 V C 0.873 176.902 176.094 -0.109 0.000 1.072 68 V CA -0.659 61.578 62.300 -0.105 0.000 1.148 68 V CB 0.090 31.820 31.823 -0.154 0.000 0.954 68 V HN 1.118 nan 8.190 nan 0.000 0.490 69 c N 3.991 122.541 118.600 -0.084 0.000 2.605 69 c HA 0.220 4.790 4.570 0.000 0.000 0.404 69 c C 0.344 174.372 174.090 -0.104 0.000 1.284 69 c CA -0.774 55.512 56.329 -0.071 0.000 2.199 69 c CB -0.536 41.962 42.510 -0.020 0.000 2.647 69 c HN 0.724 nan 8.230 nan 0.000 0.604 70 Y N 3.197 123.327 120.300 -0.283 0.000 2.677 70 Y HA 0.263 4.814 4.550 0.000 0.000 0.335 70 Y C 0.760 176.614 175.900 -0.077 0.000 1.162 70 Y CA 1.009 58.918 58.100 -0.318 0.000 1.483 70 Y CB -0.041 37.976 38.460 -0.738 0.000 1.209 70 Y HN 0.723 nan 8.280 nan 0.000 0.528 71 Q N 3.892 123.762 119.800 0.116 0.000 2.386 71 Q HA 0.244 4.584 4.340 0.000 0.000 0.274 71 Q C -1.440 174.746 176.000 0.310 0.000 1.011 71 Q CA -1.260 54.718 55.803 0.290 0.000 0.867 71 Q CB 1.083 29.939 28.738 0.197 0.000 1.409 71 Q HN 0.582 nan 8.270 nan 0.000 0.395 72 Y N 1.585 122.096 120.300 0.352 0.000 3.073 72 Y HA 0.140 4.690 4.550 0.000 0.000 0.343 72 Y C -1.036 175.038 175.900 0.290 0.000 1.274 72 Y CA 0.679 58.995 58.100 0.360 0.000 1.554 72 Y CB 0.581 39.347 38.460 0.509 0.000 1.250 72 Y HN 0.508 nan 8.280 nan 0.000 0.622 73 V N 5.843 125.354 119.914 -0.671 0.000 2.604 73 V HA 0.144 4.264 4.120 0.000 0.000 0.305 73 V C -0.730 174.979 176.094 -0.642 0.000 1.043 73 V CA -1.135 60.901 62.300 -0.440 0.000 0.888 73 V CB 1.756 33.443 31.823 -0.226 0.000 0.995 73 V HN 0.720 nan 8.190 nan 0.000 0.429 74 D N 2.995 123.326 120.400 -0.115 0.000 2.455 74 D HA 0.112 4.752 4.640 0.000 0.000 0.234 74 D C 1.304 177.683 176.300 0.131 0.000 1.224 74 D CA 0.071 54.166 54.000 0.158 0.000 0.999 74 D CB 0.585 41.657 40.800 0.453 0.000 1.072 74 D HN 0.766 nan 8.370 nan 0.000 0.514 75 T N 0.447 115.032 114.554 0.051 0.000 3.473 75 T HA 0.022 4.372 4.350 0.000 0.000 0.247 75 T C 1.338 176.088 174.700 0.083 0.000 1.010 75 T CA -0.315 61.810 62.100 0.043 0.000 0.940 75 T CB -0.112 68.757 68.868 0.002 0.000 1.068 75 T HN 0.213 nan 8.240 nan 0.000 0.604 76 L N -0.467 120.852 121.223 0.161 0.000 2.200 76 L HA 0.427 4.767 4.340 0.000 0.000 0.200 76 L C 0.199 177.075 176.870 0.010 0.000 1.072 76 L CA 0.939 55.842 54.840 0.105 0.000 0.787 76 L CB 0.271 42.453 42.059 0.205 0.000 0.957 76 L HN 0.390 nan 8.230 nan 0.000 0.459 77 Y N -0.029 120.265 120.300 -0.009 0.000 2.495 77 Y HA 0.367 4.917 4.550 0.000 0.000 0.362 77 Y C -2.123 173.783 175.900 0.010 0.000 0.956 77 Y CA -2.641 55.432 58.100 -0.045 0.000 1.127 77 Y CB 0.020 38.401 38.460 -0.131 0.000 1.173 77 Y HN 0.083 nan 8.280 nan 0.000 0.639 78 P HA -0.007 nan 4.420 nan 0.000 0.263 78 P C 0.880 178.232 177.300 0.086 0.000 1.175 78 P CA 1.322 64.470 63.100 0.080 0.000 0.761 78 P CB 0.626 32.344 31.700 0.029 0.000 0.794 79 G N 2.050 110.891 108.800 0.068 0.000 2.283 79 G HA2 -0.284 3.676 3.960 0.000 0.000 0.280 79 G HA3 -0.284 3.676 3.960 0.000 0.000 0.280 79 G C -0.171 174.769 174.900 0.067 0.000 1.029 79 G CA -0.353 44.770 45.100 0.038 0.000 0.840 79 G HN 0.516 nan 8.290 nan 0.000 0.505 80 F N 0.442 120.350 119.950 -0.069 0.000 2.385 80 F HA 0.596 5.123 4.527 0.000 0.000 0.336 80 F C 1.334 177.011 175.800 -0.206 0.000 1.100 80 F CA -0.716 57.186 58.000 -0.163 0.000 1.116 80 F CB 0.911 39.766 39.000 -0.242 0.000 1.166 80 F HN 0.197 nan 8.300 nan 0.000 0.511 81 E N 3.389 122.994 120.200 -0.992 0.000 2.012 81 E HA -0.174 4.176 4.350 0.000 0.000 0.211 81 E C 2.239 178.460 176.600 -0.631 0.000 1.029 81 E CA 2.296 58.249 56.400 -0.745 0.000 0.867 81 E CB -0.822 28.445 29.700 -0.722 0.000 0.790 81 E HN 0.975 nan 8.360 nan 0.000 0.482 82 G N -0.404 107.862 108.800 -0.889 0.000 2.606 82 G HA2 -0.373 3.587 3.960 0.000 0.000 0.223 82 G HA3 -0.373 3.587 3.960 0.000 0.000 0.223 82 G C 1.688 176.823 174.900 0.392 0.000 1.106 82 G CA 1.785 46.745 45.100 -0.232 0.000 0.745 82 G HN 0.254 nan 8.290 nan 0.000 0.597 83 T N -0.062 114.701 114.554 0.349 0.000 2.809 83 T HA 0.024 4.374 4.350 0.000 0.000 0.260 83 T C 2.267 177.185 174.700 0.364 0.000 1.039 83 T CA 1.134 63.552 62.100 0.530 0.000 1.141 83 T CB -0.041 69.061 68.868 0.390 0.000 0.869 83 T HN 0.230 nan 8.240 nan 0.000 0.437 84 E N 1.488 121.754 120.200 0.111 0.000 2.216 84 E HA -0.027 4.323 4.350 0.000 0.000 0.192 84 E C 2.201 178.734 176.600 -0.112 0.000 0.988 84 E CA 0.402 56.812 56.400 0.017 0.000 0.834 84 E CB -0.368 29.308 29.700 -0.040 0.000 0.772 84 E HN 0.627 nan 8.360 nan 0.000 0.479 85 M N -0.880 118.559 119.600 -0.270 0.000 2.146 85 M HA -0.206 4.274 4.480 0.000 0.000 0.256 85 M C 1.375 177.320 176.300 -0.591 0.000 1.075 85 M CA 1.916 56.889 55.300 -0.546 0.000 1.082 85 M CB -0.653 31.500 32.600 -0.744 0.000 1.355 85 M HN 0.057 nan 8.290 nan 0.000 0.402 86 W N 1.381 122.652 121.300 -0.048 0.000 3.077 86 W HA 0.277 4.937 4.660 0.000 0.000 0.266 86 W C 0.629 177.092 176.519 -0.093 0.000 1.300 86 W CA -0.711 56.578 57.345 -0.094 0.000 1.586 86 W CB -0.482 28.965 29.460 -0.021 0.000 1.103 86 W HN 0.164 nan 8.180 nan 0.000 0.652 87 N N 2.831 121.594 118.700 0.104 0.000 2.444 87 N HA 0.070 4.810 4.740 0.000 0.000 0.255 87 N C -2.235 173.238 175.510 -0.063 0.000 1.255 87 N CA -1.001 52.075 53.050 0.044 0.000 0.933 87 N CB 0.053 38.557 38.487 0.028 0.000 1.143 87 N HN -0.364 nan 8.380 nan 0.000 0.453 88 P HA -0.022 nan 4.420 nan 0.000 0.266 88 P C -0.413 176.802 177.300 -0.142 0.000 1.193 88 P CA 0.207 63.226 63.100 -0.134 0.000 0.770 88 P CB 0.253 31.872 31.700 -0.135 0.000 0.836 89 N N 1.276 119.877 118.700 -0.166 0.000 2.571 89 N HA 0.184 4.924 4.740 0.000 0.000 0.298 89 N C -0.133 175.300 175.510 -0.129 0.000 1.671 89 N CA -0.472 52.490 53.050 -0.147 0.000 0.900 89 N CB 0.547 38.936 38.487 -0.164 0.000 1.365 89 N HN 0.143 nan 8.380 nan 0.000 0.493 90 R N -0.241 120.184 120.500 -0.126 0.000 2.766 90 R HA 0.282 4.622 4.340 0.000 0.000 0.270 90 R C -0.585 175.644 176.300 -0.118 0.000 1.035 90 R CA -0.575 55.463 56.100 -0.104 0.000 0.911 90 R CB 0.632 30.878 30.300 -0.091 0.000 1.243 90 R HN 0.193 nan 8.270 nan 0.000 0.460 91 E N 1.936 122.072 120.200 -0.107 0.000 2.892 91 E HA -0.118 4.232 4.350 0.000 0.000 0.273 91 E C -0.088 176.412 176.600 -0.166 0.000 0.921 91 E CA 0.693 57.021 56.400 -0.120 0.000 0.968 91 E CB 0.178 29.820 29.700 -0.097 0.000 0.941 91 E HN 0.266 nan 8.360 nan 0.000 0.492 92 L N 2.162 123.240 121.223 -0.241 0.000 2.281 92 L HA 0.193 4.533 4.340 0.000 0.000 0.285 92 L C 0.760 177.480 176.870 -0.249 0.000 1.074 92 L CA -0.203 54.411 54.840 -0.377 0.000 0.817 92 L CB 0.804 42.379 42.059 -0.807 0.000 1.168 92 L HN 0.340 nan 8.230 nan 0.000 0.434 93 S N 1.560 117.187 115.700 -0.120 0.000 2.599 93 S HA 0.305 4.775 4.470 0.000 0.000 0.294 93 S C 0.596 175.224 174.600 0.047 0.000 1.094 93 S CA -0.649 57.564 58.200 0.022 0.000 0.931 93 S CB 1.930 65.127 63.200 -0.005 0.000 1.093 93 S HN 0.724 nan 8.310 nan 0.000 0.488 94 E N 0.626 120.843 120.200 0.028 0.000 2.285 94 E HA -0.042 4.308 4.350 0.000 0.000 0.194 94 E C -0.460 176.100 176.600 -0.066 0.000 0.997 94 E CA 0.371 56.704 56.400 -0.112 0.000 0.845 94 E CB 0.081 29.668 29.700 -0.189 0.000 0.782 94 E HN 0.593 nan 8.360 nan 0.000 0.491 95 D N 0.477 120.868 120.400 -0.015 0.000 2.470 95 D HA -0.021 4.619 4.640 0.000 0.000 0.226 95 D C 0.191 176.572 176.300 0.135 0.000 1.196 95 D CA -0.208 53.810 54.000 0.030 0.000 0.979 95 D CB -0.108 40.722 40.800 0.050 0.000 1.059 95 D HN 0.116 nan 8.370 nan 0.000 0.515 96 c N 2.628 121.281 118.600 0.088 0.000 3.772 96 c HA 0.399 4.969 4.570 0.000 0.000 0.293 96 c C 0.427 174.611 174.090 0.156 0.000 1.659 96 c CA -0.719 55.707 56.329 0.160 0.000 1.810 96 c CB -1.213 41.323 42.510 0.044 0.000 3.059 96 c HN 0.437 nan 8.230 nan 0.000 0.617 97 L N 2.564 123.660 121.223 -0.212 0.000 2.389 97 L HA 0.490 4.830 4.340 0.000 0.000 0.265 97 L C -1.025 175.154 176.870 -1.153 0.000 1.167 97 L CA 0.271 54.716 54.840 -0.659 0.000 1.045 97 L CB -0.323 41.252 42.059 -0.808 0.000 1.351 97 L HN 0.384 nan 8.230 nan 0.000 0.419 98 Y N 2.140 122.280 120.300 -0.267 0.000 2.609 98 Y HA 0.661 5.211 4.550 -0.000 0.000 0.342 98 Y C -0.167 175.887 175.900 0.256 0.000 1.058 98 Y CA -1.115 56.952 58.100 -0.055 0.000 1.055 98 Y CB 2.094 40.533 38.460 -0.034 0.000 1.292 98 Y HN 0.234 nan 8.280 nan 0.000 0.476 99 L N -0.423 120.993 121.223 0.322 0.000 2.341 99 L HA 0.794 5.135 4.340 0.000 0.000 0.254 99 L C -1.578 175.349 176.870 0.094 0.000 1.040 99 L CA -1.047 53.914 54.840 0.201 0.000 0.837 99 L CB 2.132 44.157 42.059 -0.057 0.000 1.425 99 L HN 0.520 nan 8.230 nan 0.000 0.414 100 N N 0.071 118.842 118.700 0.118 0.000 2.249 100 N HA 0.635 5.375 4.740 0.000 0.000 0.296 100 N C -1.525 173.984 175.510 -0.001 0.000 1.051 100 N CA -0.446 52.594 53.050 -0.016 0.000 0.815 100 N CB 2.912 41.355 38.487 -0.074 0.000 1.487 100 N HN 0.478 nan 8.380 nan 0.000 0.475 101 V N 1.463 121.303 119.914 -0.123 0.000 2.459 101 V HA 0.478 4.598 4.120 0.000 0.000 0.295 101 V C -0.596 175.506 176.094 0.013 0.000 1.029 101 V CA -0.644 61.633 62.300 -0.039 0.000 0.874 101 V CB 2.027 33.617 31.823 -0.388 0.000 0.985 101 V HN 0.564 nan 8.190 nan 0.000 0.438 102 W N 2.426 123.804 121.300 0.130 0.000 2.600 102 W HA 0.597 5.257 4.660 -0.000 0.000 0.325 102 W C -0.051 176.548 176.519 0.132 0.000 1.034 102 W CA -0.401 57.046 57.345 0.169 0.000 1.226 102 W CB 2.274 31.818 29.460 0.140 0.000 1.379 102 W HN 0.520 nan 8.180 nan 0.000 0.466 103 T N 3.784 118.560 114.554 0.369 0.000 2.906 103 T HA 0.568 4.918 4.350 0.000 0.000 0.295 103 T C -2.604 172.234 174.700 0.231 0.000 1.061 103 T CA -2.095 60.161 62.100 0.261 0.000 1.000 103 T CB 2.245 71.263 68.868 0.250 0.000 1.103 103 T HN -0.030 nan 8.240 nan 0.000 0.486 104 P HA 0.333 nan 4.420 nan 0.000 0.276 104 P C -1.645 175.749 177.300 0.158 0.000 1.261 104 P CA -0.407 62.789 63.100 0.160 0.000 0.800 104 P CB 0.309 32.080 31.700 0.118 0.000 1.066 105 Y N 1.242 121.591 120.300 0.081 0.000 2.328 105 Y HA 0.416 4.965 4.550 -0.000 0.000 0.337 105 Y C -1.946 173.982 175.900 0.047 0.000 0.966 105 Y CA -2.019 56.120 58.100 0.066 0.000 1.136 105 Y CB 0.595 39.088 38.460 0.054 0.000 1.170 105 Y HN 0.302 nan 8.280 nan 0.000 0.470 106 P HA 0.302 nan 4.420 nan 0.000 0.281 106 P C -0.886 176.387 177.300 -0.046 0.000 1.264 106 P CA -0.899 62.192 63.100 -0.015 0.000 0.824 106 P CB 1.033 32.757 31.700 0.039 0.000 1.092 107 R N 1.852 122.272 120.500 -0.132 0.000 2.474 107 R HA -0.003 4.337 4.340 0.000 0.000 0.290 107 R C -1.913 174.378 176.300 -0.015 0.000 0.918 107 R CA -0.449 55.620 56.100 -0.052 0.000 1.130 107 R CB -0.490 29.762 30.300 -0.081 0.000 0.881 107 R HN 0.378 nan 8.270 nan 0.000 0.416 108 P HA 0.142 nan 4.420 nan 0.000 0.281 108 P C 0.079 177.383 177.300 0.007 0.000 1.264 108 P CA -0.488 62.621 63.100 0.017 0.000 0.824 108 P CB 1.301 33.018 31.700 0.029 0.000 1.092 109 T N -3.459 111.098 114.554 0.005 0.000 3.010 109 T HA 0.073 4.423 4.350 0.000 0.000 0.252 109 T C 0.791 175.488 174.700 -0.004 0.000 1.047 109 T CA 0.407 62.505 62.100 -0.002 0.000 1.140 109 T CB -0.671 68.196 68.868 -0.001 0.000 0.885 109 T HN 0.496 nan 8.240 nan 0.000 0.464 110 S N 1.921 117.620 115.700 -0.001 0.000 2.509 110 S HA 0.628 5.098 4.470 0.000 0.000 0.297 110 S C -3.126 171.473 174.600 -0.001 0.000 1.118 110 S CA -1.783 56.414 58.200 -0.004 0.000 1.074 110 S CB 1.017 64.213 63.200 -0.006 0.000 1.038 110 S HN 0.033 nan 8.310 nan 0.000 0.498 111 P HA 0.064 nan 4.420 nan 0.000 0.255 111 P C -0.019 177.279 177.300 -0.003 0.000 1.173 111 P CA 0.544 63.642 63.100 -0.003 0.000 0.780 111 P CB -0.166 31.526 31.700 -0.013 0.000 0.758 112 T N 3.504 118.064 114.554 0.011 0.000 2.929 112 T HA 0.555 4.905 4.350 0.000 0.000 0.284 112 T C -2.666 172.042 174.700 0.014 0.000 1.014 112 T CA -2.794 59.313 62.100 0.011 0.000 1.051 112 T CB 1.035 69.916 68.868 0.023 0.000 1.028 112 T HN 0.047 nan 8.240 nan 0.000 0.485 113 P HA 0.293 nan 4.420 nan 0.000 0.275 113 P C -0.881 176.439 177.300 0.033 0.000 1.228 113 P CA -0.352 62.751 63.100 0.005 0.000 0.786 113 P CB 0.742 32.430 31.700 -0.020 0.000 0.927 114 V N 3.559 123.508 119.914 0.058 0.000 2.417 114 V HA 0.348 4.468 4.120 0.000 0.000 0.291 114 V C 0.466 176.626 176.094 0.110 0.000 1.024 114 V CA -0.802 61.551 62.300 0.089 0.000 0.861 114 V CB 1.308 33.196 31.823 0.108 0.000 0.985 114 V HN 0.379 nan 8.190 nan 0.000 0.436 115 L N 4.900 126.190 121.223 0.110 0.000 2.264 115 L HA 0.552 4.892 4.340 0.000 0.000 0.289 115 L C -0.547 176.532 176.870 0.349 0.000 1.044 115 L CA -0.495 54.431 54.840 0.143 0.000 0.807 115 L CB 1.732 43.758 42.059 -0.054 0.000 1.192 115 L HN 0.439 nan 8.230 nan 0.000 0.425 116 V N 3.439 123.614 119.914 0.434 0.000 2.417 116 V HA 0.298 4.418 4.120 0.000 0.000 0.291 116 V C -0.595 175.816 176.094 0.529 0.000 1.024 116 V CA -0.573 61.973 62.300 0.411 0.000 0.861 116 V CB 2.009 33.954 31.823 0.203 0.000 0.985 116 V HN 0.695 nan 8.190 nan 0.000 0.436 117 W N 7.389 128.808 121.300 0.199 0.000 2.314 117 W HA 0.615 5.275 4.660 0.000 0.000 0.310 117 W C -1.392 175.025 176.519 -0.169 0.000 1.075 117 W CA -0.857 56.368 57.345 -0.199 0.000 1.253 117 W CB 1.299 30.640 29.460 -0.197 0.000 1.238 117 W HN 0.433 nan 8.180 nan 0.000 0.440 118 I N 8.411 128.406 120.570 -0.958 0.000 2.331 118 I HA 0.102 4.272 4.170 0.000 0.000 0.292 118 I C 0.090 175.370 176.117 -1.395 0.000 0.998 118 I CA -0.898 59.854 61.300 -0.914 0.000 1.267 118 I CB 0.728 38.343 38.000 -0.641 0.000 1.386 118 I HN 0.301 nan 8.210 nan 0.000 0.476 119 Y N 4.606 124.498 120.300 -0.679 0.000 2.298 119 Y HA 0.775 5.325 4.550 -0.000 0.000 0.329 119 Y C 0.805 176.535 175.900 -0.283 0.000 1.293 119 Y CA -1.209 56.575 58.100 -0.527 0.000 1.388 119 Y CB -0.239 38.221 38.460 0.001 0.000 1.309 119 Y HN 0.560 nan 8.280 nan 0.000 0.544 120 G N -0.581 108.273 108.800 0.090 0.000 2.666 120 G HA2 0.403 4.363 3.960 0.000 0.000 0.207 120 G HA3 0.403 4.363 3.960 0.000 0.000 0.207 120 G C 0.357 175.174 174.900 -0.139 0.000 1.481 120 G CA -0.772 44.288 45.100 -0.066 0.000 1.071 120 G HN 1.698 nan 8.290 nan 0.000 0.572 121 G N -1.225 107.374 108.800 -0.335 0.000 2.331 121 G HA2 0.317 4.277 3.960 0.000 0.000 0.254 121 G HA3 0.317 4.277 3.960 0.000 0.000 0.254 121 G C 1.277 175.681 174.900 -0.825 0.000 0.879 121 G CA 0.797 45.550 45.100 -0.578 0.000 1.287 121 G HN 2.228 nan 8.290 nan 0.000 0.383 122 G N 1.413 109.728 108.800 -0.808 0.000 2.468 122 G HA2 -0.061 3.899 3.960 0.000 0.000 0.311 122 G HA3 -0.061 3.899 3.960 0.000 0.000 0.311 122 G C 1.009 175.801 174.900 -0.180 0.000 0.942 122 G CA 0.865 45.483 45.100 -0.804 0.000 0.893 122 G HN 2.144 nan 8.290 nan 0.000 0.513 123 F N -3.856 116.068 119.950 -0.044 0.000 2.890 123 F HA -0.348 4.179 4.527 0.000 0.000 0.346 123 F C 1.546 177.471 175.800 0.208 0.000 0.660 123 F CA 2.000 60.075 58.000 0.124 0.000 1.091 123 F CB -2.125 36.819 39.000 -0.094 0.000 1.535 123 F HN 0.750 nan 8.300 nan 0.000 0.314 124 Y N -0.405 119.965 120.300 0.116 0.000 2.444 124 Y HA 0.631 5.181 4.550 0.000 0.000 0.249 124 Y C 0.729 176.734 175.900 0.175 0.000 1.134 124 Y CA 0.207 58.386 58.100 0.132 0.000 1.261 124 Y CB 0.046 38.474 38.460 -0.054 0.000 1.143 124 Y HN 0.164 nan 8.280 nan 0.000 0.523 125 S N -0.897 114.666 115.700 -0.229 0.000 2.703 125 S HA 0.775 5.245 4.470 0.000 0.000 0.273 125 S C -0.265 174.217 174.600 -0.196 0.000 1.178 125 S CA -0.375 57.715 58.200 -0.183 0.000 0.838 125 S CB 1.149 64.111 63.200 -0.397 0.000 1.178 125 S HN 1.475 nan 8.310 nan 0.000 0.494 126 G N -0.423 108.245 108.800 -0.219 0.000 2.617 126 G HA2 0.538 4.498 3.960 0.000 0.000 0.686 126 G HA3 0.538 4.498 3.960 0.000 0.000 0.686 126 G C -0.483 173.893 174.900 -0.873 0.000 1.214 126 G CA -0.275 44.573 45.100 -0.421 0.000 0.796 126 G HN 2.266 nan 8.290 nan 0.000 0.654 127 A N -0.214 122.018 122.820 -0.980 0.000 2.612 127 A HA 0.983 5.303 4.320 0.000 0.000 0.293 127 A C 0.966 178.331 177.584 -0.366 0.000 1.075 127 A CA 0.644 52.184 52.037 -0.829 0.000 0.680 127 A CB 0.852 19.628 19.000 -0.375 0.000 1.279 127 A HN 2.422 nan 8.150 nan 0.000 0.411 128 S N -0.175 115.546 115.700 0.034 0.000 2.522 128 S HA -0.059 4.411 4.470 0.000 0.000 0.227 128 S C 1.364 176.071 174.600 0.179 0.000 0.986 128 S CA 1.416 59.877 58.200 0.435 0.000 0.929 128 S CB -0.446 63.097 63.200 0.572 0.000 0.769 128 S HN 1.569 nan 8.310 nan 0.000 0.529 129 S N 1.520 117.058 115.700 -0.269 0.000 2.527 129 S HA 0.299 4.769 4.470 0.000 0.000 0.222 129 S C 0.761 174.925 174.600 -0.726 0.000 0.985 129 S CA -0.487 57.115 58.200 -0.996 0.000 0.921 129 S CB -0.738 61.907 63.200 -0.926 0.000 0.772 129 S HN 0.497 nan 8.310 nan 0.000 0.529 130 L N 2.132 123.050 121.223 -0.508 0.000 2.492 130 L HA 0.093 4.433 4.340 0.000 0.000 0.280 130 L C 1.193 177.754 176.870 -0.516 0.000 1.240 130 L CA -0.342 54.163 54.840 -0.559 0.000 0.831 130 L CB 0.066 41.662 42.059 -0.772 0.000 1.100 130 L HN 0.062 nan 8.230 nan 0.000 0.505 131 D N 0.686 120.835 120.400 -0.419 0.000 2.178 131 D HA -0.118 4.522 4.640 0.000 0.000 0.201 131 D C 1.944 178.060 176.300 -0.307 0.000 0.980 131 D CA 0.951 54.792 54.000 -0.264 0.000 0.842 131 D CB -0.018 40.655 40.800 -0.211 0.000 0.948 131 D HN 0.418 nan 8.370 nan 0.000 0.472 132 V N -0.167 119.417 119.914 -0.550 0.000 2.970 132 V HA -0.154 3.966 4.120 0.000 0.000 0.260 132 V C 0.587 176.361 176.094 -0.534 0.000 1.100 132 V CA 0.778 62.765 62.300 -0.522 0.000 1.122 132 V CB -0.957 30.493 31.823 -0.622 0.000 0.721 132 V HN 0.130 nan 8.190 nan 0.000 0.483 133 Y N 0.508 120.472 120.300 -0.560 0.000 2.933 133 Y HA 0.471 5.021 4.550 -0.000 0.000 0.380 133 Y C 0.357 176.164 175.900 -0.155 0.000 1.056 133 Y CA -2.075 55.543 58.100 -0.804 0.000 1.704 133 Y CB -0.989 37.142 38.460 -0.549 0.000 1.558 133 Y HN 0.131 nan 8.280 nan 0.000 0.501 134 D N 0.179 120.672 120.400 0.156 0.000 2.347 134 D HA 0.209 4.849 4.640 0.000 0.000 0.235 134 D C 1.357 177.581 176.300 -0.127 0.000 1.149 134 D CA 0.158 54.245 54.000 0.145 0.000 0.850 134 D CB 1.583 42.552 40.800 0.281 0.000 1.061 134 D HN 0.542 nan 8.370 nan 0.000 0.487 135 G N 4.967 113.121 108.800 -1.077 0.000 2.514 135 G HA2 -0.347 3.613 3.960 0.000 0.000 0.217 135 G HA3 -0.347 3.613 3.960 0.000 0.000 0.217 135 G C 1.488 175.967 174.900 -0.702 0.000 1.198 135 G CA 1.395 45.551 45.100 -1.573 0.000 0.780 135 G HN 0.697 nan 8.290 nan 0.000 0.565 136 R N -0.117 120.109 120.500 -0.457 0.000 2.261 136 R HA -0.320 4.020 4.340 0.000 0.000 0.241 136 R C 2.276 178.404 176.300 -0.287 0.000 1.113 136 R CA 2.601 58.560 56.100 -0.236 0.000 0.908 136 R CB -1.498 28.585 30.300 -0.361 0.000 0.938 136 R HN 0.376 nan 8.270 nan 0.000 0.427 137 F N 0.594 120.495 119.950 -0.082 0.000 2.161 137 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 137 F C 2.508 178.236 175.800 -0.119 0.000 1.089 137 F CA 1.306 59.255 58.000 -0.084 0.000 1.282 137 F CB -0.457 38.486 39.000 -0.095 0.000 1.010 137 F HN 0.081 nan 8.300 nan 0.000 0.485 138 L N -0.433 120.779 121.223 -0.017 0.000 2.049 138 L HA -0.061 4.279 4.340 0.000 0.000 0.203 138 L C 2.261 179.082 176.870 -0.081 0.000 1.074 138 L CA 1.169 55.939 54.840 -0.116 0.000 0.749 138 L CB -0.667 41.210 42.059 -0.303 0.000 0.907 138 L HN -0.082 nan 8.230 nan 0.000 0.439 139 V N 0.175 120.041 119.914 -0.081 0.000 2.252 139 V HA -0.351 3.769 4.120 0.000 0.000 0.249 139 V C 2.632 178.743 176.094 0.029 0.000 1.056 139 V CA 2.236 64.541 62.300 0.008 0.000 1.022 139 V CB -0.854 31.030 31.823 0.101 0.000 0.641 139 V HN 0.647 nan 8.190 nan 0.000 0.445 140 Q N 0.406 120.217 119.800 0.020 0.000 1.975 140 Q HA -0.234 4.106 4.340 0.000 0.000 0.205 140 Q C 2.230 178.245 176.000 0.026 0.000 0.990 140 Q CA 2.577 58.398 55.803 0.030 0.000 0.845 140 Q CB -0.487 28.255 28.738 0.007 0.000 0.913 140 Q HN 0.582 nan 8.270 nan 0.000 0.420 141 A N 0.218 123.050 122.820 0.021 0.000 2.125 141 A HA -0.116 4.204 4.320 0.000 0.000 0.219 141 A C 1.287 178.874 177.584 0.006 0.000 1.156 141 A CA 1.469 53.516 52.037 0.017 0.000 0.671 141 A CB -0.019 18.991 19.000 0.017 0.000 0.794 141 A HN 0.449 nan 8.150 nan 0.000 0.459 142 E N -1.440 118.762 120.200 0.004 0.000 2.702 142 E HA 0.102 4.452 4.350 0.000 0.000 0.225 142 E C -0.543 176.063 176.600 0.010 0.000 0.942 142 E CA -0.308 56.093 56.400 0.001 0.000 1.210 142 E CB 0.221 29.914 29.700 -0.011 0.000 1.143 142 E HN 0.499 nan 8.360 nan 0.000 0.544 143 R N 1.796 122.310 120.500 0.023 0.000 2.403 143 R HA -0.135 4.205 4.340 0.000 0.000 0.261 143 R C -0.748 175.571 176.300 0.032 0.000 0.941 143 R CA 1.206 57.328 56.100 0.036 0.000 0.821 143 R CB -1.579 28.745 30.300 0.040 0.000 2.135 143 R HN 0.125 nan 8.270 nan 0.000 0.532 144 T N -1.695 112.882 114.554 0.038 0.000 3.032 144 T HA 0.337 4.687 4.350 0.000 0.000 0.312 144 T C 0.193 174.934 174.700 0.069 0.000 1.078 144 T CA -1.023 61.099 62.100 0.037 0.000 1.028 144 T CB 2.062 70.936 68.868 0.010 0.000 1.091 144 T HN 0.082 nan 8.240 nan 0.000 0.457 145 V N 3.576 123.541 119.914 0.085 0.000 2.872 145 V HA 0.296 4.416 4.120 0.000 0.000 0.307 145 V C 0.129 176.303 176.094 0.134 0.000 1.072 145 V CA -0.444 61.927 62.300 0.118 0.000 1.148 145 V CB 0.860 32.740 31.823 0.095 0.000 0.954 145 V HN 0.792 nan 8.190 nan 0.000 0.490 146 L N 6.011 127.359 121.223 0.208 0.000 2.409 146 L HA 0.696 5.036 4.340 0.000 0.000 0.272 146 L C -0.748 176.356 176.870 0.391 0.000 0.980 146 L CA -0.298 54.694 54.840 0.254 0.000 0.826 146 L CB 1.892 44.045 42.059 0.157 0.000 1.268 146 L HN 0.465 nan 8.230 nan 0.000 0.407 147 V N 3.471 123.607 119.914 0.370 0.000 2.680 147 V HA 0.782 4.902 4.120 0.000 0.000 0.309 147 V C 0.114 176.488 176.094 0.468 0.000 1.052 147 V CA -0.474 62.058 62.300 0.386 0.000 0.908 147 V CB 1.899 33.861 31.823 0.232 0.000 1.001 147 V HN 0.936 nan 8.190 nan 0.000 0.431 148 S N 4.907 120.940 115.700 0.554 0.000 2.599 148 S HA 0.949 5.419 4.470 0.000 0.000 0.294 148 S C -0.732 174.122 174.600 0.423 0.000 1.094 148 S CA -0.739 57.792 58.200 0.552 0.000 0.931 148 S CB 2.483 66.134 63.200 0.751 0.000 1.093 148 S HN 1.048 nan 8.310 nan 0.000 0.488 149 M N 0.984 120.809 119.600 0.375 0.000 2.683 149 M HA 0.638 5.118 4.480 0.000 0.000 0.274 149 M C -2.346 174.242 176.300 0.480 0.000 1.272 149 M CA -0.562 54.947 55.300 0.349 0.000 0.833 149 M CB 1.534 34.213 32.600 0.133 0.000 1.708 149 M HN 0.617 nan 8.290 nan 0.000 0.463 150 N N 1.642 120.662 118.700 0.533 0.000 2.372 150 N HA 0.707 5.447 4.740 0.000 0.000 0.291 150 N C -1.828 173.956 175.510 0.456 0.000 1.024 150 N CA -0.017 53.351 53.050 0.530 0.000 0.873 150 N CB 1.270 39.986 38.487 0.383 0.000 1.206 150 N HN 0.670 nan 8.380 nan 0.000 0.486 151 Y N -1.234 119.243 120.300 0.295 0.000 2.545 151 Y HA 0.585 5.135 4.550 -0.000 0.000 0.348 151 Y C 0.038 176.074 175.900 0.226 0.000 1.002 151 Y CA -1.350 56.874 58.100 0.207 0.000 1.039 151 Y CB 0.991 39.519 38.460 0.114 0.000 1.271 151 Y HN 0.146 nan 8.280 nan 0.000 0.467 152 R N 2.328 122.943 120.500 0.192 0.000 2.480 152 R HA 0.298 4.638 4.340 0.000 0.000 0.303 152 R C -0.011 176.430 176.300 0.235 0.000 0.985 152 R CA 0.038 56.222 56.100 0.140 0.000 1.051 152 R CB 0.219 30.581 30.300 0.103 0.000 0.935 152 R HN 0.702 nan 8.270 nan 0.000 0.410 153 V N 0.794 120.872 119.914 0.274 0.000 3.302 153 V HA 0.800 4.920 4.120 0.000 0.000 0.316 153 V C 1.080 177.492 176.094 0.530 0.000 1.111 153 V CA -0.179 62.399 62.300 0.463 0.000 1.029 153 V CB 0.982 32.994 31.823 0.315 0.000 1.170 153 V HN 0.945 nan 8.190 nan 0.000 0.452 154 G N 0.404 109.545 108.800 0.567 0.000 2.564 154 G HA2 -0.097 3.863 3.960 0.000 0.000 0.309 154 G HA3 -0.097 3.863 3.960 0.000 0.000 0.309 154 G C 1.102 176.107 174.900 0.175 0.000 1.320 154 G CA 1.203 46.560 45.100 0.429 0.000 0.941 154 G HN 2.239 nan 8.290 nan 0.000 0.543 155 A N -1.418 121.200 122.820 -0.336 0.000 2.131 155 A HA 0.210 4.530 4.320 0.000 0.000 0.220 155 A C 2.133 179.543 177.584 -0.289 0.000 1.158 155 A CA 2.333 53.884 52.037 -0.810 0.000 0.665 155 A CB -0.444 17.824 19.000 -1.222 0.000 0.795 155 A HN 0.746 nan 8.150 nan 0.000 0.460 156 F N -0.732 119.290 119.950 0.119 0.000 2.456 156 F HA 0.129 4.656 4.527 0.000 0.000 0.298 156 F C 2.388 178.220 175.800 0.054 0.000 1.104 156 F CA 0.880 58.952 58.000 0.121 0.000 1.435 156 F CB -0.214 38.800 39.000 0.024 0.000 1.078 156 F HN 0.284 nan 8.300 nan 0.000 0.546 157 G N -1.849 107.045 108.800 0.157 0.000 2.709 157 G HA2 0.024 3.984 3.960 0.000 0.000 0.208 157 G HA3 0.024 3.984 3.960 0.000 0.000 0.208 157 G C 0.958 175.413 174.900 -0.741 0.000 1.129 157 G CA 0.191 45.125 45.100 -0.277 0.000 0.793 157 G HN 0.348 nan 8.290 nan 0.000 0.524 158 F N -0.500 119.541 119.950 0.153 0.000 2.856 158 F HA 0.441 4.968 4.527 -0.000 0.000 0.338 158 F C 0.511 176.387 175.800 0.126 0.000 1.100 158 F CA -0.756 57.318 58.000 0.124 0.000 1.150 158 F CB 0.724 39.824 39.000 0.167 0.000 1.101 158 F HN -0.079 nan 8.300 nan 0.000 0.548 159 L N 2.015 123.273 121.223 0.058 0.000 2.455 159 L HA 0.564 4.904 4.340 0.000 0.000 0.272 159 L C -0.092 176.759 176.870 -0.031 0.000 1.174 159 L CA 0.118 54.938 54.840 -0.034 0.000 0.869 159 L CB 0.514 42.183 42.059 -0.650 0.000 1.130 159 L HN 0.072 nan 8.230 nan 0.000 0.474 160 A N 5.498 128.355 122.820 0.061 0.000 2.449 160 A HA 0.693 5.013 4.320 0.000 0.000 0.302 160 A C -1.544 176.029 177.584 -0.019 0.000 1.048 160 A CA -0.601 51.433 52.037 -0.005 0.000 0.708 160 A CB 1.418 20.438 19.000 0.033 0.000 1.274 160 A HN 0.524 nan 8.150 nan 0.000 0.410 161 L N 3.224 124.423 121.223 -0.040 0.000 2.335 161 L HA 0.405 4.745 4.340 0.000 0.000 0.268 161 L C -2.401 174.463 176.870 -0.010 0.000 1.037 161 L CA -2.179 52.646 54.840 -0.025 0.000 0.895 161 L CB 0.684 42.722 42.059 -0.035 0.000 1.266 161 L HN 0.344 nan 8.230 nan 0.000 0.439 162 P HA 0.308 nan 4.420 nan 0.000 0.260 162 P C 0.870 178.172 177.300 0.003 0.000 1.207 162 P CA 0.550 63.652 63.100 0.003 0.000 0.780 162 P CB 0.814 32.513 31.700 -0.001 0.000 0.789 163 G N 2.214 111.019 108.800 0.009 0.000 3.288 163 G HA2 -0.155 3.805 3.960 0.000 0.000 0.195 163 G HA3 -0.155 3.805 3.960 0.000 0.000 0.195 163 G C 0.176 175.083 174.900 0.012 0.000 1.093 163 G CA 0.109 45.214 45.100 0.009 0.000 0.852 163 G HN 0.670 nan 8.290 nan 0.000 0.453 164 S N 1.224 116.930 115.700 0.011 0.000 2.576 164 S HA 0.499 4.969 4.470 0.000 0.000 0.276 164 S C 1.160 175.774 174.600 0.023 0.000 1.339 164 S CA 0.106 58.315 58.200 0.015 0.000 1.039 164 S CB 1.372 64.578 63.200 0.009 0.000 0.902 164 S HN 0.509 nan 8.310 nan 0.000 0.516 165 R N 0.902 121.418 120.500 0.027 0.000 2.339 165 R HA 0.036 4.376 4.340 0.000 0.000 0.199 165 R C 0.769 177.095 176.300 0.044 0.000 1.018 165 R CA 0.455 56.576 56.100 0.035 0.000 1.036 165 R CB -0.218 30.102 30.300 0.033 0.000 0.899 165 R HN 0.662 nan 8.270 nan 0.000 0.473 166 E N 0.822 121.047 120.200 0.041 0.000 2.110 166 E HA 0.123 4.473 4.350 0.000 0.000 0.193 166 E C 0.264 176.910 176.600 0.078 0.000 0.950 166 E CA 0.594 57.029 56.400 0.057 0.000 0.840 166 E CB 0.395 30.121 29.700 0.045 0.000 0.809 166 E HN 0.164 nan 8.360 nan 0.000 0.465 167 A N 2.114 124.951 122.820 0.029 0.000 2.545 167 A HA 0.453 4.773 4.320 0.000 0.000 0.300 167 A C -2.351 175.232 177.584 -0.002 0.000 1.252 167 A CA -1.233 50.810 52.037 0.010 0.000 0.753 167 A CB 1.115 20.032 19.000 -0.138 0.000 1.144 167 A HN -0.113 nan 8.150 nan 0.000 0.457 168 P HA 0.261 nan 4.420 nan 0.000 0.251 168 P C 0.789 178.108 177.300 0.031 0.000 1.223 168 P CA 1.198 64.316 63.100 0.030 0.000 0.796 168 P CB 0.463 32.190 31.700 0.045 0.000 1.068 169 G N 0.440 109.254 108.800 0.023 0.000 2.612 169 G HA2 -0.161 3.799 3.960 0.000 0.000 0.686 169 G HA3 -0.161 3.799 3.960 0.000 0.000 0.686 169 G C -0.357 174.546 174.900 0.006 0.000 1.274 169 G CA -0.404 44.714 45.100 0.031 0.000 0.849 169 G HN 0.084 nan 8.290 nan 0.000 0.595 170 N N -2.090 116.630 118.700 0.033 0.000 2.666 170 N HA -0.279 4.461 4.740 0.000 0.000 0.248 170 N C 1.789 177.165 175.510 -0.223 0.000 1.118 170 N CA 1.912 54.929 53.050 -0.056 0.000 0.722 170 N CB -1.548 36.801 38.487 -0.230 0.000 1.050 170 N HN 1.895 nan 8.380 nan 0.000 0.550 171 V N -3.423 116.347 119.914 -0.240 0.000 3.305 171 V HA 0.107 4.227 4.120 0.000 0.000 0.269 171 V C 2.036 178.000 176.094 -0.217 0.000 1.157 171 V CA 1.781 63.984 62.300 -0.162 0.000 1.157 171 V CB -0.359 31.429 31.823 -0.057 0.000 0.772 171 V HN 0.289 nan 8.190 nan 0.000 0.498 172 G N 0.022 108.503 108.800 -0.532 0.000 2.492 172 G HA2 0.055 4.015 3.960 0.000 0.000 0.214 172 G HA3 0.055 4.015 3.960 0.000 0.000 0.214 172 G C 1.386 176.289 174.900 0.006 0.000 1.147 172 G CA 0.535 45.483 45.100 -0.254 0.000 0.809 172 G HN 0.481 nan 8.290 nan 0.000 0.533 173 L N 0.176 121.346 121.223 -0.088 0.000 2.027 173 L HA 0.029 4.369 4.340 0.000 0.000 0.206 173 L C 2.859 179.726 176.870 -0.005 0.000 1.074 173 L CA 0.654 55.386 54.840 -0.181 0.000 0.745 173 L CB -0.417 41.173 42.059 -0.782 0.000 0.898 173 L HN 0.164 nan 8.230 nan 0.000 0.433 174 L N -0.426 120.795 121.223 -0.003 0.000 2.081 174 L HA -0.283 4.057 4.340 0.000 0.000 0.212 174 L C 2.207 179.192 176.870 0.192 0.000 1.080 174 L CA 1.163 56.105 54.840 0.170 0.000 0.754 174 L CB -0.713 41.426 42.059 0.134 0.000 0.893 174 L HN 0.322 nan 8.230 nan 0.000 0.433 175 D N -0.245 120.257 120.400 0.171 0.000 2.084 175 D HA -0.189 4.451 4.640 0.000 0.000 0.194 175 D C 2.310 178.757 176.300 0.246 0.000 0.990 175 D CA 1.109 55.274 54.000 0.275 0.000 0.826 175 D CB -0.151 40.826 40.800 0.294 0.000 0.971 175 D HN 0.329 nan 8.370 nan 0.000 0.453 176 Q N 0.099 119.992 119.800 0.155 0.000 2.077 176 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 176 Q C 2.278 178.292 176.000 0.022 0.000 0.989 176 Q CA 1.479 57.305 55.803 0.037 0.000 0.853 176 Q CB -0.070 28.690 28.738 0.036 0.000 0.907 176 Q HN 0.183 nan 8.270 nan 0.000 0.418 177 R N 0.457 121.078 120.500 0.202 0.000 2.083 177 R HA -0.195 4.145 4.340 0.000 0.000 0.237 177 R C 2.216 178.571 176.300 0.091 0.000 1.137 177 R CA 1.347 57.555 56.100 0.181 0.000 0.951 177 R CB -0.368 30.133 30.300 0.334 0.000 0.851 177 R HN 0.255 nan 8.270 nan 0.000 0.434 178 L N 0.889 122.183 121.223 0.119 0.000 2.127 178 L HA -0.125 4.215 4.340 0.000 0.000 0.211 178 L C 2.382 179.200 176.870 -0.088 0.000 1.089 178 L CA 2.006 56.910 54.840 0.108 0.000 0.757 178 L CB -0.434 41.779 42.059 0.257 0.000 0.899 178 L HN 0.334 nan 8.230 nan 0.000 0.434 179 A N -0.823 121.767 122.820 -0.384 0.000 1.933 179 A HA -0.160 4.160 4.320 0.000 0.000 0.218 179 A C 2.213 179.706 177.584 -0.152 0.000 1.175 179 A CA 1.778 53.440 52.037 -0.627 0.000 0.628 179 A CB -0.755 17.804 19.000 -0.736 0.000 0.814 179 A HN 0.475 nan 8.150 nan 0.000 0.444 180 L N -0.930 120.241 121.223 -0.087 0.000 2.141 180 L HA -0.220 4.120 4.340 0.000 0.000 0.209 180 L C 2.846 179.756 176.870 0.067 0.000 1.094 180 L CA 1.297 56.132 54.840 -0.009 0.000 0.763 180 L CB -0.579 41.443 42.059 -0.061 0.000 0.908 180 L HN 0.514 nan 8.230 nan 0.000 0.437 181 Q N -1.124 118.725 119.800 0.081 0.000 2.079 181 Q HA -0.255 4.085 4.340 0.000 0.000 0.200 181 Q C 2.027 178.113 176.000 0.144 0.000 0.974 181 Q CA 1.924 57.789 55.803 0.103 0.000 0.840 181 Q CB -0.309 28.496 28.738 0.112 0.000 0.898 181 Q HN 0.546 nan 8.270 nan 0.000 0.430 182 W N 0.836 122.121 121.300 -0.025 0.000 2.342 182 W HA -0.215 4.445 4.660 -0.000 0.000 0.297 182 W C 1.875 178.392 176.519 -0.003 0.000 1.213 182 W CA 1.184 58.531 57.345 0.003 0.000 1.251 182 W CB -0.033 29.415 29.460 -0.020 0.000 1.136 182 W HN -0.151 nan 8.180 nan 0.000 0.526 183 V N 0.955 121.074 119.914 0.342 0.000 2.407 183 V HA -0.335 3.785 4.120 0.000 0.000 0.248 183 V C 2.506 178.608 176.094 0.013 0.000 1.055 183 V CA 1.885 64.302 62.300 0.194 0.000 1.049 183 V CB -0.838 31.103 31.823 0.197 0.000 0.662 183 V HN 0.200 nan 8.190 nan 0.000 0.455 184 Q N 0.134 119.944 119.800 0.018 0.000 1.948 184 Q HA -0.239 4.101 4.340 0.000 0.000 0.205 184 Q C 2.238 178.196 176.000 -0.070 0.000 0.992 184 Q CA 1.967 57.767 55.803 -0.004 0.000 0.849 184 Q CB -0.639 28.107 28.738 0.014 0.000 0.918 184 Q HN 0.690 nan 8.270 nan 0.000 0.421 185 E N 0.248 120.381 120.200 -0.112 0.000 2.136 185 E HA -0.181 4.169 4.350 0.000 0.000 0.202 185 E C 1.442 177.887 176.600 -0.258 0.000 1.019 185 E CA 1.448 57.744 56.400 -0.173 0.000 0.819 185 E CB 0.032 29.617 29.700 -0.193 0.000 0.739 185 E HN 0.319 nan 8.360 nan 0.000 0.458 186 N N -0.952 117.496 118.700 -0.420 0.000 2.210 186 N HA 0.002 4.742 4.740 0.000 0.000 0.203 186 N C 1.292 176.688 175.510 -0.191 0.000 1.175 186 N CA 0.137 52.897 53.050 -0.484 0.000 0.894 186 N CB 0.989 38.769 38.487 -1.178 0.000 1.041 186 N HN -0.003 nan 8.380 nan 0.000 0.506 187 V N 1.529 121.363 119.914 -0.133 0.000 2.719 187 V HA -0.017 4.103 4.120 0.000 0.000 0.252 187 V C 2.260 178.430 176.094 0.126 0.000 1.065 187 V CA 1.408 63.716 62.300 0.014 0.000 1.086 187 V CB -0.474 31.346 31.823 -0.004 0.000 0.700 187 V HN 0.201 nan 8.190 nan 0.000 0.467 188 A N 0.988 123.830 122.820 0.037 0.000 1.873 188 A HA -0.341 3.979 4.320 0.000 0.000 0.219 188 A C 2.479 180.080 177.584 0.029 0.000 1.269 188 A CA 3.010 55.059 52.037 0.020 0.000 0.671 188 A CB -1.595 17.390 19.000 -0.025 0.000 0.842 188 A HN 1.162 nan 8.150 nan 0.000 0.460 189 A N -2.233 120.581 122.820 -0.010 0.000 2.277 189 A HA -0.104 4.216 4.320 0.000 0.000 0.220 189 A C 1.458 178.881 177.584 -0.268 0.000 1.181 189 A CA 1.862 53.817 52.037 -0.136 0.000 0.678 189 A CB -0.859 18.006 19.000 -0.224 0.000 0.795 189 A HN 0.697 nan 8.150 nan 0.000 0.489 190 F N -2.774 117.105 119.950 -0.119 0.000 2.798 190 F HA 0.426 4.953 4.527 0.000 0.000 0.328 190 F C 1.547 177.307 175.800 -0.067 0.000 1.098 190 F CA 0.352 58.277 58.000 -0.124 0.000 1.172 190 F CB 0.770 39.678 39.000 -0.153 0.000 1.072 190 F HN 0.294 nan 8.300 nan 0.000 0.555 191 G N 0.852 109.726 108.800 0.123 0.000 2.144 191 G HA2 -0.131 3.829 3.960 0.000 0.000 0.218 191 G HA3 -0.131 3.829 3.960 0.000 0.000 0.218 191 G C 0.382 175.324 174.900 0.069 0.000 0.988 191 G CA -0.375 44.767 45.100 0.069 0.000 0.659 191 G HN 0.668 nan 8.290 nan 0.000 0.522 192 G N -0.575 108.278 108.800 0.089 0.000 2.412 192 G HA2 0.506 4.466 3.960 0.000 0.000 0.318 192 G HA3 0.506 4.466 3.960 0.000 0.000 0.318 192 G C -0.932 173.993 174.900 0.042 0.000 1.146 192 G CA 0.022 45.162 45.100 0.065 0.000 0.882 192 G HN 0.165 nan 8.290 nan 0.000 0.501 193 D N 1.591 122.010 120.400 0.031 0.000 2.428 193 D HA 0.315 4.955 4.640 0.000 0.000 0.221 193 D C -1.349 174.970 176.300 0.032 0.000 1.123 193 D CA -2.318 51.689 54.000 0.011 0.000 0.869 193 D CB 1.702 42.490 40.800 -0.019 0.000 1.032 193 D HN -0.057 nan 8.370 nan 0.000 0.506 194 P HA -0.143 nan 4.420 nan 0.000 0.220 194 P C 0.641 178.029 177.300 0.147 0.000 1.142 194 P CA 1.360 64.504 63.100 0.073 0.000 0.801 194 P CB 0.112 31.835 31.700 0.039 0.000 0.764 195 T N -6.949 107.638 114.554 0.054 0.000 3.266 195 T HA 0.346 4.696 4.350 0.000 0.000 0.278 195 T C 0.403 174.781 174.700 -0.536 0.000 1.010 195 T CA -0.329 61.715 62.100 -0.094 0.000 0.909 195 T CB -0.408 68.396 68.868 -0.107 0.000 1.122 195 T HN -0.139 nan 8.240 nan 0.000 0.536 196 S N 1.001 116.578 115.700 -0.205 0.000 2.512 196 S HA 0.460 4.930 4.470 0.000 0.000 0.161 196 S C -0.706 173.957 174.600 0.105 0.000 1.383 196 S CA -0.382 57.718 58.200 -0.167 0.000 1.248 196 S CB 0.034 63.149 63.200 -0.142 0.000 1.488 196 S HN 0.326 nan 8.310 nan 0.000 0.382 197 V N 2.922 123.066 119.914 0.384 0.000 2.370 197 V HA 0.479 4.599 4.120 0.000 0.000 0.279 197 V C 0.281 176.558 176.094 0.305 0.000 1.029 197 V CA -0.382 62.094 62.300 0.294 0.000 0.870 197 V CB 1.526 33.528 31.823 0.299 0.000 0.984 197 V HN 0.578 nan 8.190 nan 0.000 0.451 198 T N 6.889 121.576 114.554 0.221 0.000 2.749 198 T HA 0.538 4.888 4.350 0.000 0.000 0.287 198 T C -0.076 174.789 174.700 0.275 0.000 0.970 198 T CA -0.275 61.972 62.100 0.245 0.000 0.980 198 T CB 0.596 69.558 68.868 0.156 0.000 0.924 198 T HN 0.340 nan 8.240 nan 0.000 0.456 199 L N 5.190 126.571 121.223 0.263 0.000 2.349 199 L HA 0.620 4.960 4.340 0.000 0.000 0.275 199 L C -0.314 176.798 176.870 0.404 0.000 1.115 199 L CA -0.651 54.297 54.840 0.180 0.000 0.820 199 L CB 0.310 42.240 42.059 -0.215 0.000 1.135 199 L HN 0.627 nan 8.230 nan 0.000 0.445 200 F N 0.713 120.731 119.950 0.113 0.000 2.645 200 F HA 0.965 5.492 4.527 0.000 0.000 0.310 200 F C -0.305 175.460 175.800 -0.057 0.000 1.102 200 F CA -1.477 56.624 58.000 0.169 0.000 0.952 200 F CB 1.474 40.722 39.000 0.414 0.000 1.326 200 F HN 0.495 nan 8.300 nan 0.000 0.456 201 G N 0.586 109.177 108.800 -0.350 0.000 2.495 201 G HA2 0.510 4.470 3.960 0.000 0.000 0.294 201 G HA3 0.510 4.470 3.960 0.000 0.000 0.294 201 G C -2.484 172.153 174.900 -0.438 0.000 1.397 201 G CA -0.698 43.798 45.100 -1.007 0.000 0.790 201 G HN 0.907 nan 8.290 nan 0.000 0.486 202 E N -0.406 119.523 120.200 -0.452 0.000 2.413 202 E HA 0.601 4.951 4.350 0.000 0.000 0.277 202 E C 0.780 177.310 176.600 -0.116 0.000 0.958 202 E CA 0.396 56.720 56.400 -0.126 0.000 0.779 202 E CB 2.156 31.867 29.700 0.018 0.000 1.278 202 E HN 1.539 nan 8.360 nan 0.000 0.456 203 S N 2.382 118.091 115.700 0.015 0.000 4.041 203 S HA -0.405 4.065 4.470 0.000 0.000 0.549 203 S C 1.555 176.222 174.600 0.111 0.000 1.977 203 S CA 3.085 61.373 58.200 0.145 0.000 4.160 203 S CB -1.597 61.707 63.200 0.173 0.000 0.741 203 S HN 1.240 nan 8.310 nan 0.000 0.622 204 A N 1.260 124.026 122.820 -0.090 0.000 2.076 204 A HA 0.201 4.521 4.320 0.000 0.000 0.220 204 A C 2.599 179.994 177.584 -0.316 0.000 1.160 204 A CA 2.244 54.108 52.037 -0.289 0.000 0.653 204 A CB -1.793 16.440 19.000 -1.278 0.000 0.801 204 A HN 1.656 nan 8.150 nan 0.000 0.455 205 G N -0.387 108.237 108.800 -0.293 0.000 2.404 205 G HA2 0.009 3.969 3.960 0.000 0.000 0.215 205 G HA3 0.009 3.969 3.960 0.000 0.000 0.215 205 G C 1.754 176.513 174.900 -0.236 0.000 1.174 205 G CA 1.274 46.147 45.100 -0.379 0.000 0.780 205 G HN 0.756 nan 8.290 nan 0.000 0.537 206 A N 1.207 123.954 122.820 -0.121 0.000 1.902 206 A HA 0.258 4.578 4.320 0.000 0.000 0.217 206 A C 2.820 180.419 177.584 0.025 0.000 1.181 206 A CA 2.287 54.311 52.037 -0.021 0.000 0.623 206 A CB -0.823 18.211 19.000 0.057 0.000 0.818 206 A HN 0.806 nan 8.150 nan 0.000 0.443 207 A N -0.425 122.456 122.820 0.101 0.000 1.902 207 A HA -0.085 4.235 4.320 0.000 0.000 0.217 207 A C 2.436 180.069 177.584 0.081 0.000 1.181 207 A CA 2.110 54.205 52.037 0.096 0.000 0.623 207 A CB -0.882 18.218 19.000 0.167 0.000 0.818 207 A HN 0.466 nan 8.150 nan 0.000 0.443 208 S N -0.358 115.388 115.700 0.077 0.000 2.359 208 S HA -0.155 4.315 4.470 0.000 0.000 0.224 208 S C 1.912 176.551 174.600 0.064 0.000 1.035 208 S CA 1.431 59.648 58.200 0.027 0.000 1.018 208 S CB -0.647 62.505 63.200 -0.080 0.000 0.876 208 S HN 0.354 nan 8.310 nan 0.000 0.448 209 V N 1.870 121.794 119.914 0.016 0.000 2.231 209 V HA -0.247 3.873 4.120 0.000 0.000 0.248 209 V C 2.693 178.822 176.094 0.058 0.000 1.054 209 V CA 2.167 64.467 62.300 -0.000 0.000 1.015 209 V CB -1.630 30.167 31.823 -0.044 0.000 0.638 209 V HN 0.607 nan 8.190 nan 0.000 0.444 210 G N -0.463 108.367 108.800 0.050 0.000 2.469 210 G HA2 -0.299 3.661 3.960 0.000 0.000 0.219 210 G HA3 -0.299 3.661 3.960 0.000 0.000 0.219 210 G C 1.516 176.466 174.900 0.082 0.000 1.150 210 G CA 1.435 46.574 45.100 0.065 0.000 0.763 210 G HN 0.486 nan 8.290 nan 0.000 0.561 211 M N -0.164 119.460 119.600 0.040 0.000 2.117 211 M HA -0.037 4.443 4.480 0.000 0.000 0.262 211 M C 2.330 178.679 176.300 0.081 0.000 1.065 211 M CA 1.085 56.420 55.300 0.058 0.000 1.114 211 M CB -0.944 31.678 32.600 0.036 0.000 1.361 211 M HN 0.225 nan 8.290 nan 0.000 0.408 212 H N 1.037 120.201 119.070 0.158 0.000 2.352 212 H HA -0.063 4.493 4.556 0.000 0.000 0.299 212 H C 2.303 177.786 175.328 0.259 0.000 1.097 212 H CA 1.409 57.541 56.048 0.139 0.000 1.311 212 H CB -0.542 29.173 29.762 -0.078 0.000 1.377 212 H HN 0.400 nan 8.280 nan 0.000 0.504 213 L N 0.563 122.042 121.223 0.427 0.000 2.129 213 L HA -0.191 4.149 4.340 0.000 0.000 0.212 213 L C 1.961 179.003 176.870 0.286 0.000 1.087 213 L CA 0.966 56.077 54.840 0.451 0.000 0.757 213 L CB -0.232 42.055 42.059 0.380 0.000 0.896 213 L HN 0.207 nan 8.230 nan 0.000 0.434 214 L N -1.813 119.522 121.223 0.187 0.000 2.628 214 L HA 0.115 4.455 4.340 0.000 0.000 0.229 214 L C 0.765 177.633 176.870 -0.003 0.000 1.137 214 L CA -0.074 54.832 54.840 0.110 0.000 0.909 214 L CB 0.255 42.377 42.059 0.105 0.000 1.137 214 L HN 0.026 nan 8.230 nan 0.000 0.470 215 S N -0.275 115.397 115.700 -0.047 0.000 2.733 215 S HA 0.378 4.848 4.470 0.000 0.000 0.307 215 S C -1.931 172.568 174.600 -0.168 0.000 1.127 215 S CA -1.363 56.698 58.200 -0.231 0.000 1.097 215 S CB 1.435 64.244 63.200 -0.651 0.000 1.003 215 S HN -0.170 nan 8.310 nan 0.000 0.477 216 P HA -0.105 nan 4.420 nan 0.000 0.216 216 P C -1.678 175.575 177.300 -0.079 0.000 1.167 216 P CA 1.633 64.675 63.100 -0.097 0.000 0.914 216 P CB -0.671 30.971 31.700 -0.097 0.000 0.793 217 P HA -0.032 nan 4.420 nan 0.000 0.228 217 P C 1.215 178.516 177.300 0.001 0.000 1.151 217 P CA 1.472 64.541 63.100 -0.052 0.000 0.770 217 P CB -0.445 31.221 31.700 -0.058 0.000 0.786 218 S N -0.807 114.910 115.700 0.028 0.000 2.470 218 S HA -0.011 4.459 4.470 0.000 0.000 0.225 218 S C 1.916 176.657 174.600 0.235 0.000 1.006 218 S CA 0.388 58.704 58.200 0.193 0.000 0.934 218 S CB -0.369 63.067 63.200 0.394 0.000 0.778 218 S HN -0.011 nan 8.310 nan 0.000 0.517 219 R N 1.926 122.483 120.500 0.095 0.000 2.189 219 R HA 0.071 4.411 4.340 0.000 0.000 0.223 219 R C 1.886 178.052 176.300 -0.224 0.000 1.092 219 R CA 0.769 56.835 56.100 -0.057 0.000 0.989 219 R CB -1.189 29.061 30.300 -0.084 0.000 0.876 219 R HN 0.414 nan 8.270 nan 0.000 0.457 220 G N -0.839 107.891 108.800 -0.117 0.000 3.026 220 G HA2 0.033 3.993 3.960 0.000 0.000 0.208 220 G HA3 0.033 3.993 3.960 0.000 0.000 0.208 220 G C 0.926 175.737 174.900 -0.150 0.000 1.169 220 G CA -0.053 44.958 45.100 -0.147 0.000 0.788 220 G HN 0.313 nan 8.290 nan 0.000 0.533 221 L N -0.757 120.433 121.223 -0.055 0.000 2.731 221 L HA 0.420 4.760 4.340 0.000 0.000 0.240 221 L C 0.160 177.087 176.870 0.095 0.000 1.120 221 L CA -0.385 54.477 54.840 0.037 0.000 0.913 221 L CB 0.072 42.196 42.059 0.109 0.000 1.213 221 L HN 0.253 nan 8.230 nan 0.000 0.515 222 F N -3.376 116.412 119.950 -0.271 0.000 2.692 222 F HA 0.538 5.064 4.527 -0.000 0.000 0.320 222 F C 0.413 175.912 175.800 -0.501 0.000 1.123 222 F CA -1.105 56.731 58.000 -0.274 0.000 0.961 222 F CB 0.940 39.894 39.000 -0.077 0.000 1.383 222 F HN -0.132 nan 8.300 nan 0.000 0.483 223 H N -1.509 117.524 119.070 -0.062 0.000 3.400 223 H HA 0.508 5.064 4.556 0.000 0.000 0.251 223 H C -0.348 174.954 175.328 -0.042 0.000 1.040 223 H CA -0.206 55.757 56.048 -0.142 0.000 1.175 223 H CB 0.744 30.463 29.762 -0.071 0.000 1.487 223 H HN 0.375 nan 8.280 nan 0.000 0.505 224 R N 0.237 120.891 120.500 0.256 0.000 2.774 224 R HA 0.799 5.139 4.340 0.000 0.000 0.272 224 R C -1.535 175.054 176.300 0.482 0.000 1.000 224 R CA -0.903 55.360 56.100 0.271 0.000 0.906 224 R CB 2.622 32.943 30.300 0.035 0.000 1.227 224 R HN 0.142 nan 8.270 nan 0.000 0.468 225 A N 1.399 124.515 122.820 0.493 0.000 2.422 225 A HA 0.637 4.957 4.320 0.000 0.000 0.302 225 A C -1.232 176.511 177.584 0.265 0.000 1.041 225 A CA -0.617 51.654 52.037 0.390 0.000 0.708 225 A CB 1.758 20.971 19.000 0.355 0.000 1.257 225 A HN 0.322 nan 8.150 nan 0.000 0.414 226 V N 2.678 122.723 119.914 0.218 0.000 2.417 226 V HA 0.464 4.584 4.120 0.000 0.000 0.291 226 V C -0.950 175.245 176.094 0.167 0.000 1.024 226 V CA -0.393 61.969 62.300 0.102 0.000 0.861 226 V CB 1.152 33.073 31.823 0.163 0.000 0.985 226 V HN 0.686 nan 8.190 nan 0.000 0.436 227 L N 5.145 126.425 121.223 0.094 0.000 2.295 227 L HA 0.490 4.830 4.340 0.000 0.000 0.281 227 L C 0.075 177.025 176.870 0.134 0.000 1.018 227 L CA 0.166 55.059 54.840 0.087 0.000 0.841 227 L CB 1.456 43.526 42.059 0.018 0.000 1.218 227 L HN 0.632 nan 8.230 nan 0.000 0.424 228 Q N 2.108 122.029 119.800 0.202 0.000 2.400 228 Q HA 0.387 4.727 4.340 0.000 0.000 0.255 228 Q C 0.042 176.142 176.000 0.167 0.000 1.008 228 Q CA -0.394 55.578 55.803 0.282 0.000 0.841 228 Q CB 1.060 30.045 28.738 0.411 0.000 1.220 228 Q HN 0.646 nan 8.270 nan 0.000 0.474 229 S N 1.251 117.035 115.700 0.140 0.000 3.631 229 S HA -0.163 4.307 4.470 0.000 0.000 0.366 229 S C -0.042 174.719 174.600 0.267 0.000 0.993 229 S CA 0.538 58.846 58.200 0.179 0.000 1.167 229 S CB -1.072 62.223 63.200 0.158 0.000 0.909 229 S HN 0.977 nan 8.310 nan 0.000 0.478 230 G N -0.966 107.962 108.800 0.213 0.000 2.411 230 G HA2 0.785 4.745 3.960 0.000 0.000 0.295 230 G HA3 0.785 4.745 3.960 0.000 0.000 0.295 230 G C -1.368 173.616 174.900 0.140 0.000 1.542 230 G CA 0.228 45.518 45.100 0.316 0.000 0.814 230 G HN 1.325 nan 8.290 nan 0.000 0.557 231 A N 0.878 123.738 122.820 0.067 0.000 2.577 231 A HA 0.857 5.178 4.320 0.000 0.000 0.297 231 A C -2.595 174.881 177.584 -0.179 0.000 1.060 231 A CA -1.014 50.983 52.037 -0.066 0.000 0.697 231 A CB 2.138 21.078 19.000 -0.100 0.000 1.281 231 A HN 0.456 nan 8.150 nan 0.000 0.402 232 P HA 0.008 nan 4.420 nan 0.000 0.245 232 P C 0.388 177.516 177.300 -0.288 0.000 1.212 232 P CA 0.699 63.669 63.100 -0.217 0.000 0.774 232 P CB -0.011 31.622 31.700 -0.112 0.000 0.999 233 N N -0.455 118.088 118.700 -0.263 0.000 2.314 233 N HA 0.054 4.794 4.740 0.000 0.000 0.200 233 N C 0.800 176.084 175.510 -0.377 0.000 1.135 233 N CA -0.109 52.780 53.050 -0.269 0.000 0.835 233 N CB -0.556 37.824 38.487 -0.180 0.000 0.989 233 N HN -0.080 nan 8.380 nan 0.000 0.478 234 G N 1.898 110.359 108.800 -0.565 0.000 2.544 234 G HA2 0.192 4.152 3.960 0.000 0.000 0.242 234 G HA3 0.192 4.152 3.960 0.000 0.000 0.242 234 G C -1.184 173.245 174.900 -0.785 0.000 1.247 234 G CA -0.877 43.765 45.100 -0.763 0.000 0.840 234 G HN 0.031 nan 8.290 nan 0.000 0.578 235 P HA -0.103 nan 4.420 nan 0.000 0.221 235 P C 1.371 178.452 177.300 -0.365 0.000 1.145 235 P CA 1.400 64.236 63.100 -0.440 0.000 0.795 235 P CB 0.050 31.484 31.700 -0.444 0.000 0.775 236 W N -1.221 119.857 121.300 -0.370 0.000 3.077 236 W HA 0.546 5.206 4.660 -0.000 0.000 0.266 236 W C 1.084 177.528 176.519 -0.125 0.000 1.300 236 W CA 0.407 57.570 57.345 -0.304 0.000 1.586 236 W CB -1.039 28.162 29.460 -0.432 0.000 1.103 236 W HN -0.114 nan 8.180 nan 0.000 0.652 237 A N 1.390 123.773 122.820 -0.727 0.000 2.195 237 A HA 0.260 4.580 4.320 0.000 0.000 0.210 237 A C 0.997 178.319 177.584 -0.437 0.000 1.165 237 A CA 1.471 53.066 52.037 -0.737 0.000 0.806 237 A CB -0.477 17.708 19.000 -1.358 0.000 0.847 237 A HN 0.229 nan 8.150 nan 0.000 0.482 238 T N -5.331 109.010 114.554 -0.355 0.000 2.665 238 T HA 0.601 4.951 4.350 0.000 0.000 0.303 238 T C -1.159 173.415 174.700 -0.210 0.000 1.334 238 T CA -0.445 61.480 62.100 -0.293 0.000 1.011 238 T CB 1.564 70.275 68.868 -0.262 0.000 1.573 238 T HN 0.626 nan 8.240 nan 0.000 0.492 239 V N -0.326 119.486 119.914 -0.170 0.000 2.915 239 V HA 0.620 4.740 4.120 0.000 0.000 0.273 239 V C -0.123 175.907 176.094 -0.107 0.000 1.538 239 V CA -0.096 62.123 62.300 -0.135 0.000 0.946 239 V CB 1.838 33.575 31.823 -0.143 0.000 1.183 239 V HN 1.544 nan 8.190 nan 0.000 0.446 240 G N 4.003 112.750 108.800 -0.088 0.000 2.388 240 G HA2 0.559 4.519 3.960 0.000 0.000 0.330 240 G HA3 0.559 4.519 3.960 0.000 0.000 0.330 240 G C 0.902 175.770 174.900 -0.054 0.000 1.142 240 G CA -0.475 44.585 45.100 -0.067 0.000 0.908 240 G HN 0.817 nan 8.290 nan 0.000 0.473 241 M N 1.798 121.375 119.600 -0.039 0.000 2.785 241 M HA -0.321 4.159 4.480 0.000 0.000 0.260 241 M C 2.443 178.723 176.300 -0.034 0.000 0.983 241 M CA 2.367 57.649 55.300 -0.029 0.000 1.018 241 M CB -1.913 30.675 32.600 -0.020 0.000 1.371 241 M HN 0.707 nan 8.290 nan 0.000 0.474 242 G N 0.699 109.478 108.800 -0.036 0.000 2.896 242 G HA2 -0.315 3.645 3.960 0.000 0.000 0.225 242 G HA3 -0.315 3.645 3.960 0.000 0.000 0.225 242 G C 1.213 176.085 174.900 -0.047 0.000 1.265 242 G CA 1.506 46.583 45.100 -0.038 0.000 0.778 242 G HN 0.628 nan 8.290 nan 0.000 0.714 243 E N 0.748 120.913 120.200 -0.058 0.000 2.187 243 E HA -0.214 4.136 4.350 0.000 0.000 0.199 243 E C 2.921 179.468 176.600 -0.088 0.000 1.004 243 E CA 1.188 57.543 56.400 -0.075 0.000 0.813 243 E CB -0.438 29.208 29.700 -0.089 0.000 0.736 243 E HN 0.396 nan 8.360 nan 0.000 0.468 244 A N 1.663 124.438 122.820 -0.074 0.000 1.877 244 A HA -0.229 4.091 4.320 0.000 0.000 0.216 244 A C 2.177 179.734 177.584 -0.045 0.000 1.186 244 A CA 1.965 53.960 52.037 -0.069 0.000 0.620 244 A CB -0.475 18.501 19.000 -0.039 0.000 0.822 244 A HN 0.298 nan 8.150 nan 0.000 0.443 245 R N -1.184 119.297 120.500 -0.032 0.000 2.062 245 R HA -0.012 4.328 4.340 0.000 0.000 0.226 245 R C 2.271 178.558 176.300 -0.021 0.000 1.125 245 R CA 0.972 57.061 56.100 -0.018 0.000 0.966 245 R CB -0.574 29.716 30.300 -0.017 0.000 0.861 245 R HN 0.312 nan 8.270 nan 0.000 0.433 246 R N 1.361 121.841 120.500 -0.034 0.000 2.140 246 R HA -0.164 4.176 4.340 0.000 0.000 0.250 246 R C 1.810 178.088 176.300 -0.037 0.000 1.150 246 R CA 2.149 58.228 56.100 -0.036 0.000 0.966 246 R CB -0.288 29.986 30.300 -0.044 0.000 0.869 246 R HN 0.389 nan 8.270 nan 0.000 0.445 247 R N -0.850 119.609 120.500 -0.068 0.000 2.240 247 R HA 0.078 4.418 4.340 0.000 0.000 0.203 247 R C 2.102 178.400 176.300 -0.004 0.000 1.011 247 R CA 0.735 56.772 56.100 -0.104 0.000 1.007 247 R CB 0.069 30.191 30.300 -0.296 0.000 0.911 247 R HN 0.273 nan 8.270 nan 0.000 0.468 248 A N 0.618 123.469 122.820 0.053 0.000 1.871 248 A HA -0.095 4.225 4.320 0.000 0.000 0.211 248 A C 2.221 179.854 177.584 0.082 0.000 1.207 248 A CA 1.467 53.592 52.037 0.145 0.000 0.620 248 A CB -0.827 18.220 19.000 0.078 0.000 0.860 248 A HN 0.365 nan 8.150 nan 0.000 0.450 249 T N -0.951 113.627 114.554 0.040 0.000 2.684 249 T HA -0.317 4.033 4.350 0.000 0.000 0.267 249 T C 1.958 176.705 174.700 0.078 0.000 1.036 249 T CA 1.928 64.053 62.100 0.042 0.000 1.148 249 T CB -0.689 68.189 68.868 0.017 0.000 0.863 249 T HN 0.515 nan 8.240 nan 0.000 0.436 250 Q N 0.682 120.521 119.800 0.066 0.000 2.297 250 Q HA -0.034 4.306 4.340 0.000 0.000 0.208 250 Q C 2.077 178.173 176.000 0.161 0.000 0.981 250 Q CA 1.266 57.128 55.803 0.100 0.000 0.876 250 Q CB -0.572 28.198 28.738 0.052 0.000 0.921 250 Q HN 0.594 nan 8.270 nan 0.000 0.446 251 L N -0.074 121.247 121.223 0.164 0.000 2.049 251 L HA 0.155 4.495 4.340 0.000 0.000 0.203 251 L C 2.290 179.240 176.870 0.134 0.000 1.074 251 L CA 1.812 56.763 54.840 0.186 0.000 0.749 251 L CB -1.122 41.083 42.059 0.243 0.000 0.907 251 L HN 0.254 nan 8.230 nan 0.000 0.439 252 A N -0.488 122.395 122.820 0.106 0.000 1.896 252 A HA -0.391 3.929 4.320 0.000 0.000 0.220 252 A C 2.410 180.048 177.584 0.091 0.000 1.206 252 A CA 2.396 54.484 52.037 0.084 0.000 0.647 252 A CB -1.504 17.536 19.000 0.065 0.000 0.828 252 A HN 0.793 nan 8.150 nan 0.000 0.455 253 H N -0.264 118.823 119.070 0.027 0.000 2.253 253 H HA -0.065 4.491 4.556 0.000 0.000 0.296 253 H C 1.790 177.118 175.328 0.000 0.000 1.067 253 H CA 1.739 57.794 56.048 0.012 0.000 1.245 253 H CB -0.723 29.041 29.762 0.003 0.000 1.364 253 H HN 0.340 nan 8.280 nan 0.000 0.494 254 L N 1.200 122.323 121.223 -0.168 0.000 2.683 254 L HA -0.130 4.210 4.340 0.000 0.000 0.236 254 L C 1.482 178.187 176.870 -0.275 0.000 1.179 254 L CA 0.820 55.495 54.840 -0.275 0.000 0.822 254 L CB -0.140 41.873 42.059 -0.078 0.000 0.952 254 L HN 0.276 nan 8.230 nan 0.000 0.455 255 V N -1.560 118.290 119.914 -0.107 0.000 3.372 255 V HA 0.293 4.413 4.120 0.000 0.000 0.304 255 V C 0.391 176.498 176.094 0.022 0.000 1.530 255 V CA 0.491 62.833 62.300 0.070 0.000 1.080 255 V CB 0.777 32.718 31.823 0.197 0.000 0.929 255 V HN 0.544 nan 8.190 nan 0.000 0.455 256 G N 1.424 110.183 108.800 -0.068 0.000 3.450 256 G HA2 0.078 4.038 3.960 0.000 0.000 0.668 256 G HA3 0.078 4.038 3.960 0.000 0.000 0.668 256 G C -0.209 174.693 174.900 0.002 0.000 0.941 256 G CA -0.170 44.903 45.100 -0.045 0.000 0.766 256 G HN 2.154 nan 8.290 nan 0.000 0.451 257 C N 0.763 120.071 119.300 0.014 0.000 1.594 257 C HA 0.398 4.858 4.460 0.000 0.000 0.193 257 C C -2.217 172.811 174.990 0.063 0.000 0.662 257 C CA -0.600 58.441 59.018 0.040 0.000 0.755 257 C CB -0.522 27.244 27.740 0.042 0.000 2.527 257 C HN 1.292 nan 8.230 nan 0.000 0.820 266 D N -0.608 119.800 120.400 0.013 0.000 2.566 266 D HA 0.210 4.850 4.640 0.000 0.000 0.253 266 D C 1.474 177.784 176.300 0.017 0.000 0.992 266 D CA 1.422 55.429 54.000 0.011 0.000 0.940 266 D CB 0.231 41.036 40.800 0.009 0.000 1.095 266 D HN 0.065 nan 8.370 nan 0.000 0.480 267 T N 0.451 115.018 114.554 0.021 0.000 2.788 267 T HA -0.136 4.214 4.350 0.000 0.000 0.268 267 T C 1.623 176.343 174.700 0.034 0.000 1.044 267 T CA 1.087 63.205 62.100 0.030 0.000 1.139 267 T CB -0.222 68.663 68.868 0.029 0.000 0.867 267 T HN 0.222 nan 8.240 nan 0.000 0.454 268 E N 0.737 120.954 120.200 0.028 0.000 2.035 268 E HA -0.188 4.162 4.350 0.000 0.000 0.204 268 E C 2.146 178.767 176.600 0.035 0.000 1.025 268 E CA 1.277 57.694 56.400 0.029 0.000 0.835 268 E CB -0.309 29.406 29.700 0.025 0.000 0.764 268 E HN 0.355 nan 8.360 nan 0.000 0.457 269 L N 0.183 121.424 121.223 0.030 0.000 2.261 269 L HA -0.179 4.161 4.340 0.000 0.000 0.216 269 L C 2.132 179.025 176.870 0.038 0.000 1.114 269 L CA 0.747 55.606 54.840 0.031 0.000 0.777 269 L CB 0.100 42.170 42.059 0.019 0.000 0.910 269 L HN 0.075 nan 8.230 nan 0.000 0.440 270 V N -1.493 118.450 119.914 0.047 0.000 2.436 270 V HA -0.015 4.105 4.120 0.000 0.000 0.240 270 V C 2.464 178.635 176.094 0.129 0.000 1.040 270 V CA 1.221 63.570 62.300 0.081 0.000 1.052 270 V CB -0.189 31.677 31.823 0.072 0.000 0.707 270 V HN 0.443 nan 8.190 nan 0.000 0.469 271 A N -1.399 121.476 122.820 0.091 0.000 1.972 271 A HA -0.270 4.050 4.320 0.000 0.000 0.219 271 A C 2.064 179.689 177.584 0.068 0.000 1.169 271 A CA 1.858 53.940 52.037 0.075 0.000 0.635 271 A CB -1.125 17.906 19.000 0.052 0.000 0.810 271 A HN 0.568 nan 8.150 nan 0.000 0.446 272 C N -0.810 118.528 119.300 0.064 0.000 2.477 272 C HA 0.345 4.805 4.460 0.000 0.000 0.321 272 C C 1.476 176.508 174.990 0.070 0.000 1.369 272 C CA 1.254 60.306 59.018 0.057 0.000 1.607 272 C CB -1.814 25.954 27.740 0.048 0.000 1.632 272 C HN 0.622 nan 8.230 nan 0.000 0.597 273 L N -1.505 119.777 121.223 0.097 0.000 3.610 273 L HA 0.315 4.655 4.340 0.000 0.000 0.362 273 L C 1.933 178.904 176.870 0.167 0.000 1.003 273 L CA 0.720 55.640 54.840 0.134 0.000 1.443 273 L CB -0.831 41.319 42.059 0.152 0.000 2.184 273 L HN 0.017 nan 8.230 nan 0.000 0.613 274 R N -0.193 120.396 120.500 0.149 0.000 2.152 274 R HA -0.103 4.237 4.340 0.000 0.000 0.232 274 R C 1.911 178.208 176.300 -0.004 0.000 1.117 274 R CA 1.991 58.109 56.100 0.031 0.000 0.981 274 R CB -0.322 29.994 30.300 0.026 0.000 0.870 274 R HN 0.697 nan 8.270 nan 0.000 0.451 275 T N -1.002 113.567 114.554 0.025 0.000 2.770 275 T HA -0.010 4.340 4.350 0.000 0.000 0.263 275 T C 0.997 175.705 174.700 0.013 0.000 1.039 275 T CA 0.034 62.142 62.100 0.013 0.000 1.142 275 T CB -0.052 68.828 68.868 0.021 0.000 0.868 275 T HN -0.041 nan 8.240 nan 0.000 0.435 276 R N 3.102 123.620 120.500 0.030 0.000 2.538 276 R HA 0.106 4.446 4.340 0.000 0.000 0.273 276 R C -2.289 174.013 176.300 0.003 0.000 0.967 276 R CA -1.000 55.116 56.100 0.028 0.000 1.101 276 R CB -0.795 29.535 30.300 0.049 0.000 0.908 276 R HN 0.397 nan 8.270 nan 0.000 0.411 277 P HA -0.059 nan 4.420 nan 0.000 0.269 277 P C 0.355 177.612 177.300 -0.072 0.000 1.217 277 P CA 0.194 63.269 63.100 -0.042 0.000 0.783 277 P CB 0.422 32.109 31.700 -0.021 0.000 0.898 278 A N 2.107 124.798 122.820 -0.215 0.000 1.836 278 A HA -0.261 4.059 4.320 0.000 0.000 0.215 278 A C 2.025 179.524 177.584 -0.141 0.000 1.214 278 A CA 1.624 53.428 52.037 -0.389 0.000 0.636 278 A CB -1.729 16.340 19.000 -1.552 0.000 0.847 278 A HN 0.525 nan 8.150 nan 0.000 0.451 279 Q N -0.269 119.487 119.800 -0.074 0.000 2.389 279 Q HA -0.168 4.172 4.340 0.000 0.000 0.213 279 Q C 2.201 178.255 176.000 0.090 0.000 0.989 279 Q CA 1.693 57.603 55.803 0.178 0.000 0.891 279 Q CB -0.832 28.043 28.738 0.228 0.000 0.923 279 Q HN 0.789 nan 8.270 nan 0.000 0.455 280 V N -2.709 117.218 119.914 0.021 0.000 2.323 280 V HA -0.200 3.920 4.120 0.000 0.000 0.244 280 V C 2.205 178.250 176.094 -0.082 0.000 1.041 280 V CA 1.109 63.375 62.300 -0.056 0.000 1.025 280 V CB -0.830 30.979 31.823 -0.024 0.000 0.656 280 V HN 0.214 nan 8.190 nan 0.000 0.451 281 L N 0.502 121.737 121.223 0.020 0.000 1.971 281 L HA -0.179 4.161 4.340 0.000 0.000 0.215 281 L C 2.746 179.667 176.870 0.084 0.000 1.072 281 L CA 2.201 57.056 54.840 0.025 0.000 0.758 281 L CB -1.096 40.904 42.059 -0.097 0.000 0.889 281 L HN 0.315 nan 8.230 nan 0.000 0.433 282 V N -0.095 119.937 119.914 0.196 0.000 2.439 282 V HA -0.342 3.778 4.120 0.000 0.000 0.253 282 V C 1.949 178.205 176.094 0.270 0.000 1.074 282 V CA 2.360 64.844 62.300 0.306 0.000 1.076 282 V CB -1.031 31.052 31.823 0.433 0.000 0.664 282 V HN 0.517 nan 8.190 nan 0.000 0.461 283 N N -1.079 117.693 118.700 0.120 0.000 2.300 283 N HA -0.077 4.663 4.740 0.000 0.000 0.179 283 N C 1.657 177.249 175.510 0.138 0.000 1.016 283 N CA 0.851 53.943 53.050 0.068 0.000 0.876 283 N CB -0.079 38.320 38.487 -0.146 0.000 0.979 283 N HN 0.672 nan 8.380 nan 0.000 0.432 284 H N -0.265 118.952 119.070 0.246 0.000 2.592 284 H HA 0.157 4.713 4.556 0.000 0.000 0.265 284 H C 1.236 176.685 175.328 0.201 0.000 0.955 284 H CA -0.190 56.028 56.048 0.283 0.000 1.175 284 H CB 0.496 30.424 29.762 0.276 0.000 1.433 284 H HN 0.196 nan 8.280 nan 0.000 0.537 285 E N 0.847 121.202 120.200 0.259 0.000 2.110 285 E HA -0.264 4.086 4.350 0.000 0.000 0.225 285 E C 0.674 177.292 176.600 0.029 0.000 1.063 285 E CA 1.896 58.382 56.400 0.143 0.000 0.906 285 E CB -0.158 29.514 29.700 -0.047 0.000 0.795 285 E HN 0.602 nan 8.360 nan 0.000 0.479 286 W N -0.136 121.124 121.300 -0.067 0.000 2.961 286 W HA -0.025 4.635 4.660 -0.000 0.000 0.240 286 W C 1.865 178.334 176.519 -0.083 0.000 1.305 286 W CA 0.196 57.469 57.345 -0.119 0.000 1.465 286 W CB -0.116 29.215 29.460 -0.216 0.000 1.135 286 W HN 0.256 nan 8.180 nan 0.000 0.688 287 H N -0.499 118.745 119.070 0.290 0.000 2.482 287 H HA -0.046 4.510 4.556 0.000 0.000 0.286 287 H C 2.350 177.750 175.328 0.121 0.000 1.017 287 H CA 1.713 57.877 56.048 0.194 0.000 1.322 287 H CB -0.845 29.018 29.762 0.169 0.000 1.426 287 H HN 0.244 nan 8.280 nan 0.000 0.546 288 V N -0.770 119.256 119.914 0.187 0.000 2.548 288 V HA -0.044 4.076 4.120 0.000 0.000 0.249 288 V C 1.393 177.485 176.094 -0.003 0.000 1.055 288 V CA 0.339 62.679 62.300 0.067 0.000 1.065 288 V CB -0.771 31.051 31.823 -0.002 0.000 0.681 288 V HN 0.073 nan 8.190 nan 0.000 0.462 289 L N 1.920 123.143 121.223 -0.001 0.000 2.628 289 L HA 0.069 4.409 4.340 0.000 0.000 0.292 289 L C -1.315 175.570 176.870 0.024 0.000 1.250 289 L CA -0.131 54.708 54.840 -0.003 0.000 0.892 289 L CB 0.346 42.445 42.059 0.065 0.000 1.138 289 L HN 0.325 nan 8.230 nan 0.000 0.502 290 P HA 0.204 nan 4.420 nan 0.000 0.280 290 P C -0.571 176.737 177.300 0.013 0.000 1.431 290 P CA -0.012 63.091 63.100 0.004 0.000 1.058 290 P CB 1.022 32.709 31.700 -0.021 0.000 1.521 291 Q N -0.874 118.940 119.800 0.022 0.000 2.633 291 Q HA 0.234 4.574 4.340 0.000 0.000 0.289 291 Q C -1.155 174.869 176.000 0.040 0.000 0.940 291 Q CA -0.696 55.124 55.803 0.028 0.000 0.785 291 Q CB 1.829 30.575 28.738 0.013 0.000 1.467 291 Q HN -0.123 nan 8.270 nan 0.000 0.401 292 E N 0.803 121.028 120.200 0.041 0.000 2.415 292 E HA 0.295 4.645 4.350 0.000 0.000 0.263 292 E C -1.411 175.214 176.600 0.040 0.000 0.995 292 E CA 0.394 56.824 56.400 0.050 0.000 0.915 292 E CB 0.435 30.162 29.700 0.043 0.000 0.951 292 E HN 0.526 nan 8.360 nan 0.000 0.449 293 S N 2.294 118.025 115.700 0.052 0.000 2.582 293 S HA 0.175 4.645 4.470 0.000 0.000 0.287 293 S C -0.746 173.887 174.600 0.056 0.000 1.146 293 S CA -1.018 57.205 58.200 0.039 0.000 0.941 293 S CB 1.090 64.305 63.200 0.025 0.000 1.115 293 S HN 0.314 nan 8.310 nan 0.000 0.458 294 V N 4.100 124.043 119.914 0.048 0.000 3.003 294 V HA 0.508 4.628 4.120 0.000 0.000 0.305 294 V C 0.441 176.569 176.094 0.055 0.000 1.078 294 V CA 0.151 62.494 62.300 0.073 0.000 1.083 294 V CB 0.473 32.342 31.823 0.075 0.000 1.039 294 V HN 1.288 nan 8.190 nan 0.000 0.481 295 F N 4.115 123.953 119.950 -0.187 0.000 2.943 295 F HA -0.161 4.366 4.527 0.000 0.000 0.258 295 F C 0.027 175.372 175.800 -0.757 0.000 0.995 295 F CA 0.675 58.330 58.000 -0.575 0.000 0.896 295 F CB -0.631 37.870 39.000 -0.831 0.000 0.821 295 F HN 0.530 nan 8.300 nan 0.000 0.828 296 R N 0.972 121.164 120.500 -0.513 0.000 2.604 296 R HA 0.645 4.985 4.340 0.000 0.000 0.281 296 R C -1.065 174.874 176.300 -0.602 0.000 1.020 296 R CA -0.629 55.129 56.100 -0.569 0.000 0.899 296 R CB 1.246 31.443 30.300 -0.173 0.000 1.205 296 R HN -0.015 nan 8.270 nan 0.000 0.450 297 F N -0.987 119.033 119.950 0.116 0.000 2.593 297 F HA 0.449 4.976 4.527 0.000 0.000 0.320 297 F C 1.463 177.184 175.800 -0.130 0.000 1.060 297 F CA -0.942 57.027 58.000 -0.051 0.000 0.940 297 F CB 1.616 40.699 39.000 0.139 0.000 1.268 297 F HN 0.320 nan 8.300 nan 0.000 0.475 298 S N -0.083 115.558 115.700 -0.098 0.000 2.421 298 S HA 0.203 4.673 4.470 0.000 0.000 0.224 298 S C -0.259 174.049 174.600 -0.487 0.000 1.035 298 S CA 0.708 58.722 58.200 -0.310 0.000 0.953 298 S CB -0.091 62.890 63.200 -0.364 0.000 0.810 298 S HN 0.342 nan 8.310 nan 0.000 0.497 299 F N 1.578 121.553 119.950 0.042 0.000 2.460 299 F HA 0.573 5.100 4.527 0.000 0.000 0.341 299 F C -0.093 175.751 175.800 0.075 0.000 1.130 299 F CA -0.906 57.147 58.000 0.088 0.000 0.962 299 F CB 1.595 40.678 39.000 0.139 0.000 1.171 299 F HN -0.130 nan 8.300 nan 0.000 0.436 300 V N 0.827 120.734 119.914 -0.012 0.000 3.165 300 V HA 0.759 4.879 4.120 0.000 0.000 0.309 300 V C -3.009 172.723 176.094 -0.604 0.000 1.267 300 V CA -3.218 58.778 62.300 -0.507 0.000 1.067 300 V CB 1.998 33.660 31.823 -0.268 0.000 1.082 300 V HN 0.298 nan 8.190 nan 0.000 0.451 301 P HA 0.319 nan 4.420 nan 0.000 0.269 301 P C -0.871 176.284 177.300 -0.242 0.000 1.209 301 P CA 0.132 62.942 63.100 -0.483 0.000 0.776 301 P CB 0.951 32.282 31.700 -0.615 0.000 0.876 302 V N 4.062 123.915 119.914 -0.102 0.000 2.581 302 V HA 0.226 4.346 4.120 0.000 0.000 0.303 302 V C -0.317 175.749 176.094 -0.045 0.000 1.041 302 V CA -0.914 61.345 62.300 -0.069 0.000 0.907 302 V CB 2.043 33.854 31.823 -0.019 0.000 0.994 302 V HN 0.160 nan 8.190 nan 0.000 0.442 303 V N 7.135 127.019 119.914 -0.049 0.000 2.242 303 V HA 0.163 4.283 4.120 0.000 0.000 0.242 303 V C 0.801 176.892 176.094 -0.005 0.000 1.240 303 V CA 0.168 62.455 62.300 -0.022 0.000 1.211 303 V CB -0.364 31.435 31.823 -0.040 0.000 1.338 303 V HN 1.023 nan 8.190 nan 0.000 0.499 304 D N 2.297 122.708 120.400 0.019 0.000 2.350 304 D HA 0.127 4.767 4.640 0.000 0.000 0.213 304 D C 1.674 177.987 176.300 0.022 0.000 1.031 304 D CA 0.768 54.781 54.000 0.022 0.000 0.861 304 D CB 0.467 41.291 40.800 0.039 0.000 0.926 304 D HN 0.638 nan 8.370 nan 0.000 0.520 305 G N 0.687 109.500 108.800 0.023 0.000 2.234 305 G HA2 -0.368 3.592 3.960 0.000 0.000 0.260 305 G HA3 -0.368 3.592 3.960 0.000 0.000 0.260 305 G C 0.649 175.565 174.900 0.028 0.000 0.987 305 G CA 0.660 45.770 45.100 0.017 0.000 0.625 305 G HN 0.503 nan 8.290 nan 0.000 0.532 306 D N -0.646 119.787 120.400 0.054 0.000 2.634 306 D HA 0.136 4.776 4.640 0.000 0.000 0.262 306 D C 2.031 178.388 176.300 0.096 0.000 1.354 306 D CA 0.659 54.699 54.000 0.067 0.000 1.028 306 D CB -0.144 40.705 40.800 0.081 0.000 1.061 306 D HN 0.247 nan 8.370 nan 0.000 0.387 307 F N 0.818 120.767 119.950 -0.001 0.000 2.171 307 F HA 0.062 4.589 4.527 -0.000 0.000 0.300 307 F C 0.463 176.249 175.800 -0.022 0.000 1.090 307 F CA 0.653 58.650 58.000 -0.005 0.000 1.293 307 F CB 0.136 39.134 39.000 -0.003 0.000 1.013 307 F HN -0.046 nan 8.300 nan 0.000 0.486 308 L N 0.324 121.713 121.223 0.275 0.000 2.280 308 L HA 0.225 4.565 4.340 0.000 0.000 0.287 308 L C 1.396 178.294 176.870 0.047 0.000 1.023 308 L CA -0.062 54.855 54.840 0.129 0.000 0.819 308 L CB 0.811 42.939 42.059 0.115 0.000 1.212 308 L HN 0.049 nan 8.230 nan 0.000 0.420 309 S N 2.215 117.917 115.700 0.004 0.000 2.402 309 S HA -0.040 4.430 4.470 0.000 0.000 0.229 309 S C 0.513 175.110 174.600 -0.006 0.000 1.021 309 S CA 1.216 59.411 58.200 -0.008 0.000 0.974 309 S CB 0.108 63.292 63.200 -0.027 0.000 0.800 309 S HN 0.779 nan 8.310 nan 0.000 0.484 310 D N -1.059 119.337 120.400 -0.006 0.000 2.665 310 D HA 0.263 4.903 4.640 0.000 0.000 0.287 310 D C -0.943 175.346 176.300 -0.018 0.000 1.266 310 D CA -0.044 53.948 54.000 -0.013 0.000 0.830 310 D CB 1.375 42.166 40.800 -0.015 0.000 1.356 310 D HN 0.060 nan 8.370 nan 0.000 0.437 311 T N 0.765 115.301 114.554 -0.030 0.000 2.891 311 T HA 0.105 4.455 4.350 0.000 0.000 0.296 311 T C -1.655 173.018 174.700 -0.044 0.000 1.025 311 T CA -0.247 61.825 62.100 -0.047 0.000 1.149 311 T CB 0.682 69.518 68.868 -0.054 0.000 1.007 311 T HN 0.175 nan 8.240 nan 0.000 0.528 312 P HA -0.012 nan 4.420 nan 0.000 0.220 312 P C 1.233 178.508 177.300 -0.042 0.000 1.148 312 P CA 0.880 63.950 63.100 -0.049 0.000 0.803 312 P CB 0.151 31.798 31.700 -0.087 0.000 0.782 313 E N -0.133 120.030 120.200 -0.061 0.000 2.023 313 E HA -0.196 4.154 4.350 0.000 0.000 0.196 313 E C 2.148 178.742 176.600 -0.011 0.000 1.003 313 E CA 1.737 58.112 56.400 -0.042 0.000 0.809 313 E CB -0.801 28.868 29.700 -0.051 0.000 0.755 313 E HN 0.129 nan 8.360 nan 0.000 0.449 314 A N 0.282 123.094 122.820 -0.013 0.000 1.969 314 A HA -0.123 4.197 4.320 0.000 0.000 0.218 314 A C 2.038 179.634 177.584 0.021 0.000 1.169 314 A CA 0.828 52.865 52.037 0.000 0.000 0.635 314 A CB -0.374 18.620 19.000 -0.010 0.000 0.810 314 A HN 0.187 nan 8.150 nan 0.000 0.445 315 L N -0.811 120.426 121.223 0.024 0.000 2.275 315 L HA 0.064 4.404 4.340 0.000 0.000 0.215 315 L C 1.877 178.823 176.870 0.127 0.000 1.119 315 L CA 1.240 56.107 54.840 0.045 0.000 0.790 315 L CB -0.135 41.944 42.059 0.034 0.000 0.919 315 L HN 0.443 nan 8.230 nan 0.000 0.443 316 I N -1.722 118.930 120.570 0.138 0.000 4.070 316 I HA -0.005 4.165 4.170 0.000 0.000 0.328 316 I C 1.244 177.486 176.117 0.208 0.000 1.298 316 I CA 0.059 61.490 61.300 0.218 0.000 1.173 316 I CB 0.115 38.148 38.000 0.055 0.000 1.051 316 I HN 0.210 nan 8.210 nan 0.000 0.409 317 N N 1.263 120.038 118.700 0.126 0.000 2.424 317 N HA 0.117 4.857 4.740 0.000 0.000 0.178 317 N C 0.589 176.169 175.510 0.116 0.000 1.060 317 N CA 0.565 53.674 53.050 0.099 0.000 0.901 317 N CB 0.629 39.145 38.487 0.048 0.000 0.979 317 N HN 0.202 nan 8.380 nan 0.000 0.451 318 A N -0.429 122.460 122.820 0.116 0.000 3.292 318 A HA 0.613 4.933 4.320 0.000 0.000 0.231 318 A C 0.497 178.074 177.584 -0.012 0.000 0.952 318 A CA -0.384 51.682 52.037 0.049 0.000 1.044 318 A CB -0.111 18.899 19.000 0.018 0.000 1.236 318 A HN 0.159 nan 8.150 nan 0.000 0.525 319 G N -0.821 107.955 108.800 -0.041 0.000 2.971 319 G HA2 0.513 4.473 3.960 0.000 0.000 0.235 319 G HA3 0.513 4.473 3.960 0.000 0.000 0.235 319 G C -1.110 173.340 174.900 -0.749 0.000 1.351 319 G CA -0.236 44.584 45.100 -0.466 0.000 1.039 319 G HN 0.109 nan 8.290 nan 0.000 0.563 320 D N -0.332 119.419 120.400 -1.081 0.000 2.479 320 D HA 0.376 5.016 4.640 0.000 0.000 0.247 320 D C -0.389 175.508 176.300 -0.671 0.000 1.119 320 D CA -0.651 52.962 54.000 -0.645 0.000 0.922 320 D CB 0.240 40.825 40.800 -0.357 0.000 1.014 320 D HN 0.066 nan 8.370 nan 0.000 0.510 321 F N 0.336 120.305 119.950 0.032 0.000 2.706 321 F HA 0.210 4.737 4.527 -0.000 0.000 0.308 321 F C 1.027 176.845 175.800 0.030 0.000 1.095 321 F CA -0.617 57.397 58.000 0.022 0.000 1.244 321 F CB -0.707 38.297 39.000 0.008 0.000 1.063 321 F HN 0.336 nan 8.300 nan 0.000 0.582 322 H N 0.672 119.793 119.070 0.085 0.000 3.107 322 H HA 0.361 4.917 4.556 -0.000 0.000 0.301 322 H C 1.201 176.553 175.328 0.040 0.000 0.981 322 H CA 0.650 56.732 56.048 0.057 0.000 1.443 322 H CB 0.244 30.018 29.762 0.020 0.000 1.479 322 H HN 0.437 nan 8.280 nan 0.000 0.564 323 G N 4.946 113.730 108.800 -0.026 0.000 2.333 323 G HA2 -0.238 3.722 3.960 0.000 0.000 0.296 323 G HA3 -0.238 3.722 3.960 0.000 0.000 0.296 323 G C -0.353 174.577 174.900 0.050 0.000 1.059 323 G CA 0.262 45.386 45.100 0.040 0.000 1.050 323 G HN 0.598 nan 8.290 nan 0.000 0.508 324 L N -0.218 121.036 121.223 0.051 0.000 2.322 324 L HA 0.589 4.929 4.340 0.000 0.000 0.281 324 L C -0.140 176.773 176.870 0.071 0.000 1.014 324 L CA -0.892 53.994 54.840 0.077 0.000 0.815 324 L CB 1.599 43.744 42.059 0.142 0.000 1.247 324 L HN 0.350 nan 8.230 nan 0.000 0.421 325 Q N 3.658 123.516 119.800 0.097 0.000 2.307 325 Q HA 0.547 4.887 4.340 0.000 0.000 0.262 325 Q C -0.704 175.530 176.000 0.390 0.000 0.961 325 Q CA -0.422 55.486 55.803 0.175 0.000 0.882 325 Q CB 2.351 31.167 28.738 0.130 0.000 1.264 325 Q HN 0.415 nan 8.270 nan 0.000 0.446 326 V N 0.985 121.075 119.914 0.293 0.000 2.709 326 V HA 0.767 4.887 4.120 0.000 0.000 0.308 326 V C -1.630 174.396 176.094 -0.114 0.000 1.062 326 V CA -1.120 61.298 62.300 0.196 0.000 0.901 326 V CB 1.752 33.624 31.823 0.082 0.000 1.003 326 V HN 0.732 nan 8.190 nan 0.000 0.425 327 L N 7.252 128.181 121.223 -0.490 0.000 2.296 327 L HA 0.898 5.238 4.340 0.000 0.000 0.286 327 L C -0.439 176.262 176.870 -0.281 0.000 1.023 327 L CA -0.151 54.316 54.840 -0.623 0.000 0.812 327 L CB 1.617 42.835 42.059 -1.401 0.000 1.223 327 L HN 1.040 nan 8.230 nan 0.000 0.421 328 V N 2.128 121.939 119.914 -0.172 0.000 2.789 328 V HA 1.107 5.227 4.120 0.000 0.000 0.311 328 V C -0.191 175.639 176.094 -0.440 0.000 1.073 328 V CA 0.240 62.427 62.300 -0.187 0.000 0.921 328 V CB 1.118 32.818 31.823 -0.204 0.000 1.009 328 V HN 1.008 nan 8.190 nan 0.000 0.426 329 G N 1.512 109.905 108.800 -0.678 0.000 2.645 329 G HA2 0.852 4.812 3.960 0.000 0.000 0.292 329 G HA3 0.852 4.812 3.960 0.000 0.000 0.292 329 G C -1.124 173.441 174.900 -0.559 0.000 1.415 329 G CA -0.142 44.143 45.100 -1.359 0.000 0.785 329 G HN 2.019 nan 8.290 nan 0.000 0.483 330 V N -2.216 117.517 119.914 -0.302 0.000 3.114 330 V HA 0.883 5.003 4.120 0.000 0.000 0.308 330 V C 0.240 176.494 176.094 0.267 0.000 1.168 330 V CA -0.700 61.627 62.300 0.046 0.000 1.015 330 V CB 1.116 32.948 31.823 0.016 0.000 1.050 330 V HN 1.649 nan 8.190 nan 0.000 0.433 331 V N 0.418 120.512 119.914 0.300 0.000 2.904 331 V HA 0.600 4.720 4.120 0.000 0.000 0.305 331 V C 1.565 177.824 176.094 0.275 0.000 1.067 331 V CA 0.103 62.631 62.300 0.379 0.000 1.044 331 V CB 1.157 33.204 31.823 0.373 0.000 1.050 331 V HN 1.098 nan 8.190 nan 0.000 0.475 332 K N 1.166 121.717 120.400 0.251 0.000 2.127 332 K HA -0.151 4.169 4.320 0.000 0.000 0.208 332 K C 0.661 177.359 176.600 0.164 0.000 1.047 332 K CA 2.302 58.695 56.287 0.176 0.000 0.927 332 K CB -0.245 32.328 32.500 0.122 0.000 0.716 332 K HN 0.924 nan 8.250 nan 0.000 0.450 333 D N 0.675 121.178 120.400 0.171 0.000 2.502 333 D HA 0.044 4.684 4.640 0.000 0.000 0.301 333 D C -0.081 176.330 176.300 0.185 0.000 1.202 333 D CA -0.144 53.953 54.000 0.162 0.000 0.878 333 D CB 1.180 42.060 40.800 0.134 0.000 1.062 333 D HN 0.155 nan 8.370 nan 0.000 0.499 334 E N 0.492 120.817 120.200 0.208 0.000 2.268 334 E HA -0.070 4.280 4.350 0.000 0.000 0.195 334 E C 1.859 178.645 176.600 0.310 0.000 0.995 334 E CA 0.380 56.944 56.400 0.274 0.000 0.836 334 E CB 0.383 30.242 29.700 0.265 0.000 0.763 334 E HN 0.471 nan 8.360 nan 0.000 0.491 335 G N 1.375 110.321 108.800 0.243 0.000 2.417 335 G HA2 -0.213 3.747 3.960 0.000 0.000 0.212 335 G HA3 -0.213 3.747 3.960 0.000 0.000 0.212 335 G C 1.726 176.779 174.900 0.255 0.000 1.187 335 G CA 1.033 46.285 45.100 0.253 0.000 0.804 335 G HN 0.380 nan 8.290 nan 0.000 0.534 336 S N 0.723 116.528 115.700 0.175 0.000 2.401 336 S HA -0.419 4.051 4.470 0.000 0.000 0.236 336 S C 2.142 176.717 174.600 -0.043 0.000 1.058 336 S CA 1.984 60.261 58.200 0.128 0.000 1.151 336 S CB -1.272 61.982 63.200 0.090 0.000 1.049 336 S HN 0.534 nan 8.310 nan 0.000 0.432 337 Y N 2.034 122.134 120.300 -0.333 0.000 2.215 337 Y HA -0.269 4.281 4.550 0.000 0.000 0.282 337 Y C 1.776 177.398 175.900 -0.464 0.000 1.207 337 Y CA 1.905 59.631 58.100 -0.625 0.000 1.196 337 Y CB -0.654 37.319 38.460 -0.812 0.000 0.969 337 Y HN 0.335 nan 8.280 nan 0.000 0.528 338 F N -1.371 118.496 119.950 -0.139 0.000 2.569 338 F HA -0.019 4.508 4.527 0.000 0.000 0.295 338 F C 2.018 177.765 175.800 -0.088 0.000 1.115 338 F CA 0.382 58.273 58.000 -0.181 0.000 1.450 338 F CB -0.284 38.601 39.000 -0.191 0.000 1.107 338 F HN -0.013 nan 8.300 nan 0.000 0.563 339 L N 0.065 121.279 121.223 -0.015 0.000 1.989 339 L HA -0.174 4.166 4.340 0.000 0.000 0.211 339 L C 2.271 179.077 176.870 -0.107 0.000 1.071 339 L CA 1.207 55.875 54.840 -0.287 0.000 0.749 339 L CB -0.843 40.734 42.059 -0.802 0.000 0.890 339 L HN 0.111 nan 8.230 nan 0.000 0.431 340 V N -3.239 116.700 119.914 0.043 0.000 3.392 340 V HA -0.214 3.906 4.120 0.000 0.000 0.273 340 V C 0.317 176.393 176.094 -0.031 0.000 1.228 340 V CA 1.152 63.526 62.300 0.124 0.000 1.224 340 V CB -1.707 30.171 31.823 0.091 0.000 0.986 340 V HN 0.406 nan 8.190 nan 0.000 0.494 341 Y N -0.033 120.265 120.300 -0.003 0.000 2.742 341 Y HA 0.643 5.193 4.550 -0.000 0.000 0.248 341 Y C 1.475 177.370 175.900 -0.009 0.000 1.132 341 Y CA 0.032 58.123 58.100 -0.016 0.000 1.142 341 Y CB 1.366 39.787 38.460 -0.066 0.000 1.222 341 Y HN 0.328 nan 8.280 nan 0.000 0.575 342 G N -0.511 108.376 108.800 0.144 0.000 4.226 342 G HA2 0.135 4.095 3.960 0.000 0.000 0.220 342 G HA3 0.135 4.095 3.960 0.000 0.000 0.220 342 G C -0.129 174.839 174.900 0.113 0.000 0.817 342 G CA -0.114 45.048 45.100 0.104 0.000 0.879 342 G HN 0.293 nan 8.290 nan 0.000 0.669 343 A N 1.613 124.522 122.820 0.149 0.000 2.310 343 A HA 0.706 5.026 4.320 0.000 0.000 0.300 343 A C -2.210 175.596 177.584 0.370 0.000 1.269 343 A CA -1.155 51.012 52.037 0.218 0.000 0.909 343 A CB 0.047 19.110 19.000 0.104 0.000 1.144 343 A HN 0.036 nan 8.150 nan 0.000 0.540 344 P HA 0.094 nan 4.420 nan 0.000 0.255 344 P C 1.043 178.384 177.300 0.068 0.000 1.161 344 P CA 2.445 65.628 63.100 0.137 0.000 0.768 344 P CB 0.348 32.100 31.700 0.087 0.000 0.746 345 G N 2.010 110.797 108.800 -0.021 0.000 2.132 345 G HA2 -0.235 3.725 3.960 0.000 0.000 0.228 345 G HA3 -0.235 3.725 3.960 0.000 0.000 0.228 345 G C -0.251 174.400 174.900 -0.415 0.000 1.000 345 G CA -0.726 44.246 45.100 -0.214 0.000 0.693 345 G HN 0.386 nan 8.290 nan 0.000 0.515 346 F N 0.802 120.761 119.950 0.015 0.000 2.444 346 F HA 0.784 5.311 4.527 0.000 0.000 0.342 346 F C 0.567 176.443 175.800 0.127 0.000 1.121 346 F CA -0.480 57.558 58.000 0.063 0.000 0.997 346 F CB 2.438 41.508 39.000 0.116 0.000 1.130 346 F HN 0.086 nan 8.300 nan 0.000 0.454 347 S N 1.292 117.212 115.700 0.366 0.000 2.596 347 S HA 0.301 4.771 4.470 0.000 0.000 0.270 347 S C 0.379 175.286 174.600 0.512 0.000 1.155 347 S CA -0.936 57.497 58.200 0.388 0.000 0.827 347 S CB 1.555 64.892 63.200 0.228 0.000 1.130 347 S HN 0.669 nan 8.310 nan 0.000 0.467 348 K N 0.847 121.475 120.400 0.380 0.000 2.211 348 K HA -0.015 4.305 4.320 0.000 0.000 0.203 348 K C 0.476 177.213 176.600 0.229 0.000 1.050 348 K CA 1.190 57.609 56.287 0.220 0.000 0.945 348 K CB -0.038 32.378 32.500 -0.139 0.000 0.732 348 K HN 0.371 nan 8.250 nan 0.000 0.451 349 D N 1.410 121.940 120.400 0.216 0.000 2.146 349 D HA -0.068 4.572 4.640 0.000 0.000 0.209 349 D C 0.746 177.146 176.300 0.166 0.000 0.973 349 D CA 1.004 55.088 54.000 0.141 0.000 0.860 349 D CB -0.327 40.531 40.800 0.097 0.000 1.015 349 D HN 0.350 nan 8.370 nan 0.000 0.465 350 N N 0.719 119.516 118.700 0.161 0.000 2.328 350 N HA -0.030 4.710 4.740 0.000 0.000 0.277 350 N C 0.791 176.394 175.510 0.155 0.000 1.286 350 N CA -0.212 52.906 53.050 0.114 0.000 0.949 350 N CB 0.544 39.047 38.487 0.026 0.000 1.136 350 N HN -0.319 nan 8.380 nan 0.000 0.550 351 E N -1.147 119.061 120.200 0.012 0.000 2.427 351 E HA -0.025 4.325 4.350 0.000 0.000 0.196 351 E C 0.075 176.392 176.600 -0.472 0.000 1.028 351 E CA 0.218 56.563 56.400 -0.092 0.000 0.864 351 E CB -0.554 29.105 29.700 -0.069 0.000 0.813 351 E HN 0.611 nan 8.360 nan 0.000 0.514 352 S N -0.646 114.808 115.700 -0.410 0.000 3.017 352 S HA -0.228 4.242 4.470 0.000 0.000 0.283 352 S C 0.272 174.482 174.600 -0.650 0.000 1.304 352 S CA 0.534 58.355 58.200 -0.633 0.000 1.224 352 S CB -1.617 61.083 63.200 -0.833 0.000 1.480 352 S HN 0.330 nan 8.310 nan 0.000 0.698 353 L N 1.633 122.594 121.223 -0.437 0.000 2.841 353 L HA -0.037 4.303 4.340 0.000 0.000 0.282 353 L C 0.630 177.317 176.870 -0.305 0.000 1.130 353 L CA 0.625 55.279 54.840 -0.311 0.000 0.996 353 L CB -0.760 41.178 42.059 -0.203 0.000 1.364 353 L HN 0.312 nan 8.230 nan 0.000 0.466 354 I N 0.472 120.863 120.570 -0.300 0.000 3.076 354 I HA 0.700 4.870 4.170 0.000 0.000 0.313 354 I C 0.441 176.476 176.117 -0.136 0.000 1.053 354 I CA -0.727 60.426 61.300 -0.246 0.000 1.048 354 I CB 1.710 39.554 38.000 -0.260 0.000 1.264 354 I HN 0.552 nan 8.210 nan 0.000 0.498 355 S N 0.847 116.496 115.700 -0.085 0.000 2.537 355 S HA 0.528 4.998 4.470 0.000 0.000 0.301 355 S C 0.613 175.220 174.600 0.013 0.000 1.092 355 S CA -0.777 57.395 58.200 -0.047 0.000 1.048 355 S CB 2.136 65.314 63.200 -0.037 0.000 1.053 355 S HN 0.757 nan 8.310 nan 0.000 0.501 356 R N 2.157 122.660 120.500 0.005 0.000 2.290 356 R HA -0.298 4.042 4.340 0.000 0.000 0.232 356 R C 2.248 178.634 176.300 0.142 0.000 1.110 356 R CA 2.807 58.948 56.100 0.068 0.000 0.871 356 R CB -1.492 28.829 30.300 0.035 0.000 0.964 356 R HN 1.017 nan 8.270 nan 0.000 0.410 357 A N -0.675 122.195 122.820 0.083 0.000 2.178 357 A HA -0.131 4.189 4.320 0.000 0.000 0.218 357 A C 1.903 179.531 177.584 0.073 0.000 1.157 357 A CA 1.751 53.836 52.037 0.079 0.000 0.689 357 A CB -0.431 18.599 19.000 0.049 0.000 0.787 357 A HN 0.626 nan 8.150 nan 0.000 0.465 358 E N -1.389 118.858 120.200 0.078 0.000 2.030 358 E HA -0.019 4.331 4.350 0.000 0.000 0.189 358 E C 1.597 178.273 176.600 0.126 0.000 0.974 358 E CA 0.698 57.140 56.400 0.070 0.000 0.807 358 E CB -0.284 29.427 29.700 0.018 0.000 0.771 358 E HN 0.585 nan 8.360 nan 0.000 0.451 359 F N 2.188 122.148 119.950 0.016 0.000 2.063 359 F HA -0.350 4.177 4.527 -0.000 0.000 0.296 359 F C 1.889 177.718 175.800 0.048 0.000 1.093 359 F CA 1.650 59.676 58.000 0.043 0.000 1.229 359 F CB -0.283 38.722 39.000 0.008 0.000 0.971 359 F HN -0.016 nan 8.300 nan 0.000 0.491 360 L N -0.404 120.842 121.223 0.040 0.000 2.083 360 L HA -0.207 4.133 4.340 0.000 0.000 0.209 360 L C 2.684 179.493 176.870 -0.103 0.000 1.083 360 L CA 1.554 56.345 54.840 -0.082 0.000 0.752 360 L CB -1.563 40.540 42.059 0.073 0.000 0.899 360 L HN 0.384 nan 8.230 nan 0.000 0.433 361 A N -0.124 122.676 122.820 -0.033 0.000 2.021 361 A HA 0.070 4.390 4.320 0.000 0.000 0.216 361 A C 2.356 179.918 177.584 -0.036 0.000 1.163 361 A CA 0.997 53.022 52.037 -0.021 0.000 0.676 361 A CB -0.712 18.296 19.000 0.012 0.000 0.818 361 A HN 0.406 nan 8.150 nan 0.000 0.453 362 G N 0.235 109.010 108.800 -0.041 0.000 2.553 362 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 362 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 362 G C 1.530 176.355 174.900 -0.126 0.000 1.195 362 G CA 1.499 46.580 45.100 -0.033 0.000 0.779 362 G HN 0.296 nan 8.290 nan 0.000 0.577 363 V N 1.277 121.019 119.914 -0.287 0.000 2.317 363 V HA -0.233 3.887 4.120 0.000 0.000 0.251 363 V C 2.776 178.793 176.094 -0.128 0.000 1.065 363 V CA 2.191 64.331 62.300 -0.266 0.000 1.049 363 V CB -0.413 31.184 31.823 -0.377 0.000 0.651 363 V HN 0.385 nan 8.190 nan 0.000 0.450 364 R N -1.049 119.394 120.500 -0.094 0.000 2.323 364 R HA 0.102 4.442 4.340 0.000 0.000 0.198 364 R C 1.594 177.873 176.300 -0.036 0.000 0.988 364 R CA 0.597 56.668 56.100 -0.048 0.000 1.041 364 R CB 0.009 30.292 30.300 -0.029 0.000 0.926 364 R HN 0.487 nan 8.270 nan 0.000 0.476 365 V N -0.793 119.096 119.914 -0.042 0.000 3.219 365 V HA 0.133 4.253 4.120 0.000 0.000 0.240 365 V C 1.969 178.045 176.094 -0.031 0.000 1.222 365 V CA 1.105 63.393 62.300 -0.019 0.000 1.181 365 V CB 0.609 32.436 31.823 0.007 0.000 0.941 365 V HN 0.336 nan 8.190 nan 0.000 0.471 366 G N 0.471 109.237 108.800 -0.055 0.000 2.469 366 G HA2 -0.149 3.811 3.960 0.000 0.000 0.219 366 G HA3 -0.149 3.811 3.960 0.000 0.000 0.219 366 G C 0.777 175.603 174.900 -0.123 0.000 1.150 366 G CA 1.613 46.667 45.100 -0.077 0.000 0.763 366 G HN 0.529 nan 8.290 nan 0.000 0.561 367 V N 3.079 122.912 119.914 -0.135 0.000 2.326 367 V HA 0.258 4.378 4.120 0.000 0.000 0.254 367 V C -2.076 173.963 176.094 -0.093 0.000 1.022 367 V CA -1.656 60.521 62.300 -0.205 0.000 1.074 367 V CB 0.982 32.716 31.823 -0.148 0.000 1.305 367 V HN 0.137 nan 8.190 nan 0.000 0.506 368 P HA 0.030 nan 4.420 nan 0.000 0.270 368 P C 0.150 177.439 177.300 -0.018 0.000 1.223 368 P CA 0.087 63.170 63.100 -0.028 0.000 0.785 368 P CB 0.360 32.049 31.700 -0.019 0.000 0.923 369 Q N -1.581 118.212 119.800 -0.012 0.000 2.410 369 Q HA -0.127 4.213 4.340 0.000 0.000 0.369 369 Q C -1.420 174.576 176.000 -0.007 0.000 1.342 369 Q CA 0.317 56.114 55.803 -0.010 0.000 1.133 369 Q CB -2.027 26.703 28.738 -0.014 0.000 1.288 369 Q HN 0.183 nan 8.270 nan 0.000 0.320 370 V N 1.879 121.791 119.914 -0.004 0.000 2.851 370 V HA 0.493 4.613 4.120 0.000 0.000 0.307 370 V C 0.199 176.293 176.094 0.000 0.000 1.129 370 V CA -0.073 62.227 62.300 0.001 0.000 0.932 370 V CB 2.377 34.208 31.823 0.012 0.000 1.024 370 V HN 0.807 nan 8.190 nan 0.000 0.426 371 S N 2.777 118.475 115.700 -0.004 0.000 2.580 371 S HA 0.071 4.541 4.470 0.000 0.000 0.261 371 S C 0.635 175.241 174.600 0.012 0.000 1.366 371 S CA 0.488 58.687 58.200 -0.001 0.000 0.996 371 S CB 0.478 63.673 63.200 -0.008 0.000 0.902 371 S HN 0.793 nan 8.310 nan 0.000 0.566 372 D N 0.179 120.588 120.400 0.015 0.000 2.312 372 D HA 0.014 4.654 4.640 0.000 0.000 0.211 372 D C 1.558 177.881 176.300 0.038 0.000 0.964 372 D CA 0.251 54.267 54.000 0.026 0.000 0.877 372 D CB -0.332 40.483 40.800 0.025 0.000 0.924 372 D HN 0.346 nan 8.370 nan 0.000 0.515 373 L N 1.105 122.347 121.223 0.031 0.000 2.005 373 L HA -0.027 4.313 4.340 0.000 0.000 0.207 373 L C 2.182 179.091 176.870 0.065 0.000 1.072 373 L CA 1.549 56.416 54.840 0.045 0.000 0.744 373 L CB -0.941 41.135 42.059 0.028 0.000 0.895 373 L HN 0.043 nan 8.230 nan 0.000 0.433 374 A N -0.268 122.576 122.820 0.040 0.000 1.884 374 A HA -0.298 4.022 4.320 0.000 0.000 0.219 374 A C 2.477 180.124 177.584 0.105 0.000 1.197 374 A CA 2.670 54.740 52.037 0.054 0.000 0.637 374 A CB -1.457 17.554 19.000 0.018 0.000 0.827 374 A HN 0.618 nan 8.150 nan 0.000 0.450 375 A N -0.599 122.267 122.820 0.076 0.000 1.873 375 A HA -0.229 4.091 4.320 0.000 0.000 0.218 375 A C 2.015 179.665 177.584 0.109 0.000 1.193 375 A CA 2.426 54.510 52.037 0.078 0.000 0.629 375 A CB -0.588 18.439 19.000 0.045 0.000 0.826 375 A HN 0.552 nan 8.150 nan 0.000 0.447 376 E N 0.481 120.749 120.200 0.113 0.000 2.153 376 E HA -0.060 4.290 4.350 0.000 0.000 0.194 376 E C 1.963 178.667 176.600 0.174 0.000 0.988 376 E CA 1.501 57.984 56.400 0.138 0.000 0.811 376 E CB -0.644 29.123 29.700 0.111 0.000 0.746 376 E HN 0.464 nan 8.360 nan 0.000 0.466 377 A N 0.366 123.304 122.820 0.197 0.000 1.859 377 A HA -0.211 4.109 4.320 0.000 0.000 0.217 377 A C 2.550 180.256 177.584 0.204 0.000 1.198 377 A CA 2.207 54.424 52.037 0.299 0.000 0.629 377 A CB -1.095 18.171 19.000 0.444 0.000 0.830 377 A HN 0.180 nan 8.150 nan 0.000 0.446 378 V N -0.198 119.793 119.914 0.128 0.000 2.219 378 V HA -0.308 3.812 4.120 0.000 0.000 0.248 378 V C 2.564 178.765 176.094 0.179 0.000 1.053 378 V CA 2.218 64.524 62.300 0.010 0.000 1.009 378 V CB -1.255 30.644 31.823 0.127 0.000 0.636 378 V HN 0.391 nan 8.190 nan 0.000 0.445 379 V N 0.167 120.207 119.914 0.210 0.000 2.277 379 V HA -0.347 3.773 4.120 0.000 0.000 0.253 379 V C 2.438 178.741 176.094 0.350 0.000 1.067 379 V CA 2.575 65.061 62.300 0.311 0.000 1.047 379 V CB -0.899 31.105 31.823 0.302 0.000 0.649 379 V HN 0.594 nan 8.190 nan 0.000 0.447 380 L N -0.612 120.813 121.223 0.336 0.000 2.012 380 L HA -0.216 4.124 4.340 0.000 0.000 0.210 380 L C 2.489 179.457 176.870 0.163 0.000 1.073 380 L CA 2.156 57.224 54.840 0.380 0.000 0.748 380 L CB -0.896 41.244 42.059 0.135 0.000 0.891 380 L HN 0.403 nan 8.230 nan 0.000 0.431 381 H N -1.760 117.268 119.070 -0.071 0.000 2.326 381 H HA -0.121 4.435 4.556 0.000 0.000 0.301 381 H C 2.076 177.195 175.328 -0.347 0.000 1.081 381 H CA 2.357 58.197 56.048 -0.347 0.000 1.334 381 H CB -0.143 29.095 29.762 -0.873 0.000 1.385 381 H HN 0.429 nan 8.280 nan 0.000 0.504 382 Y N 1.173 121.532 120.300 0.099 0.000 2.365 382 Y HA -0.026 4.524 4.550 -0.000 0.000 0.293 382 Y C 1.353 177.242 175.900 -0.017 0.000 1.119 382 Y CA 0.381 58.554 58.100 0.122 0.000 1.203 382 Y CB -0.192 38.415 38.460 0.244 0.000 1.026 382 Y HN -0.060 nan 8.280 nan 0.000 0.549 383 T N 1.431 115.954 114.554 -0.052 0.000 2.946 383 T HA -0.085 4.265 4.350 0.000 0.000 0.311 383 T C 0.078 174.414 174.700 -0.606 0.000 1.063 383 T CA 0.003 61.766 62.100 -0.561 0.000 1.139 383 T CB 0.279 68.443 68.868 -1.173 0.000 0.994 383 T HN 0.085 nan 8.240 nan 0.000 0.547 384 D N 1.752 121.839 120.400 -0.522 0.000 2.638 384 D HA 0.122 4.762 4.640 0.000 0.000 0.245 384 D C 0.462 176.572 176.300 -0.316 0.000 1.176 384 D CA -0.884 52.947 54.000 -0.281 0.000 0.996 384 D CB -0.299 40.452 40.800 -0.082 0.000 1.012 384 D HN 0.630 nan 8.370 nan 0.000 0.515 385 W N 1.439 122.709 121.300 -0.050 0.000 2.296 385 W HA -0.234 4.426 4.660 0.000 0.000 0.278 385 W C 2.057 178.517 176.519 -0.099 0.000 1.196 385 W CA 0.150 57.457 57.345 -0.064 0.000 1.165 385 W CB -0.376 29.046 29.460 -0.064 0.000 1.135 385 W HN 0.359 nan 8.180 nan 0.000 0.564 386 L N -1.218 120.012 121.223 0.012 0.000 2.156 386 L HA -0.108 4.232 4.340 0.000 0.000 0.208 386 L C 0.843 177.458 176.870 -0.425 0.000 1.095 386 L CA 1.132 55.848 54.840 -0.207 0.000 0.770 386 L CB -0.170 41.722 42.059 -0.279 0.000 0.914 386 L HN 0.072 nan 8.230 nan 0.000 0.439 387 H N -1.934 117.104 119.070 -0.053 0.000 2.514 387 H HA 0.226 4.782 4.556 0.000 0.000 0.226 387 H C -2.008 173.226 175.328 -0.156 0.000 1.421 387 H CA -1.329 54.671 56.048 -0.081 0.000 1.394 387 H CB 0.494 30.207 29.762 -0.081 0.000 1.701 387 H HN 0.077 nan 8.280 nan 0.000 0.515 388 P HA -0.037 nan 4.420 nan 0.000 0.239 388 P C 1.185 178.363 177.300 -0.202 0.000 1.184 388 P CA 0.928 63.881 63.100 -0.245 0.000 0.760 388 P CB 0.740 32.339 31.700 -0.167 0.000 0.884 389 E N -1.179 118.955 120.200 -0.111 0.000 2.419 389 E HA 0.011 4.361 4.350 0.000 0.000 0.197 389 E C 0.342 176.884 176.600 -0.097 0.000 0.920 389 E CA 0.199 56.548 56.400 -0.085 0.000 1.085 389 E CB -0.965 28.715 29.700 -0.032 0.000 1.084 389 E HN 0.064 nan 8.360 nan 0.000 0.490 390 D N 3.030 123.387 120.400 -0.072 0.000 3.434 390 D HA -0.126 4.514 4.640 0.000 0.000 0.215 390 D C -1.814 174.409 176.300 -0.129 0.000 1.157 390 D CA -0.305 53.637 54.000 -0.097 0.000 0.785 390 D CB 0.840 41.566 40.800 -0.123 0.000 1.164 390 D HN -0.060 nan 8.370 nan 0.000 0.580 391 P HA 0.095 nan 4.420 nan 0.000 0.235 391 P C 0.947 178.160 177.300 -0.145 0.000 1.177 391 P CA 0.785 63.800 63.100 -0.142 0.000 0.785 391 P CB 0.192 31.808 31.700 -0.141 0.000 0.885 392 A N 1.381 124.127 122.820 -0.124 0.000 1.852 392 A HA -0.297 4.023 4.320 0.000 0.000 0.217 392 A C 2.246 179.783 177.584 -0.079 0.000 1.215 392 A CA 2.075 54.053 52.037 -0.097 0.000 0.641 392 A CB -1.386 17.568 19.000 -0.078 0.000 0.838 392 A HN 0.047 nan 8.150 nan 0.000 0.450 393 R N -0.785 119.658 120.500 -0.094 0.000 2.122 393 R HA -0.174 4.166 4.340 0.000 0.000 0.236 393 R C 2.139 178.367 176.300 -0.120 0.000 1.129 393 R CA 1.785 57.830 56.100 -0.092 0.000 0.925 393 R CB -0.928 29.298 30.300 -0.123 0.000 0.850 393 R HN 0.538 nan 8.270 nan 0.000 0.431 394 L N 0.519 121.618 121.223 -0.206 0.000 2.351 394 L HA -0.218 4.122 4.340 0.000 0.000 0.220 394 L C 2.842 179.673 176.870 -0.065 0.000 1.127 394 L CA 1.108 55.762 54.840 -0.310 0.000 0.786 394 L CB -0.323 41.530 42.059 -0.344 0.000 0.914 394 L HN 0.286 nan 8.230 nan 0.000 0.443 395 R N -0.324 120.167 120.500 -0.015 0.000 2.074 395 R HA -0.073 4.267 4.340 0.000 0.000 0.218 395 R C 2.007 178.405 176.300 0.163 0.000 1.137 395 R CA 0.523 56.683 56.100 0.101 0.000 0.998 395 R CB 0.064 30.330 30.300 -0.057 0.000 0.895 395 R HN 0.209 nan 8.270 nan 0.000 0.442 396 E N 1.460 121.727 120.200 0.112 0.000 2.065 396 E HA -0.236 4.114 4.350 0.000 0.000 0.201 396 E C 1.904 178.602 176.600 0.163 0.000 1.016 396 E CA 1.406 57.894 56.400 0.146 0.000 0.818 396 E CB -0.665 29.101 29.700 0.111 0.000 0.749 396 E HN 0.410 nan 8.360 nan 0.000 0.453 397 A N 1.836 124.741 122.820 0.142 0.000 1.941 397 A HA -0.269 4.051 4.320 0.000 0.000 0.220 397 A C 2.327 180.061 177.584 0.250 0.000 1.407 397 A CA 2.306 54.469 52.037 0.210 0.000 0.766 397 A CB -1.261 17.796 19.000 0.094 0.000 0.838 397 A HN 0.290 nan 8.150 nan 0.000 0.482 398 L N -0.235 121.212 121.223 0.374 0.000 2.351 398 L HA -0.133 4.207 4.340 0.000 0.000 0.220 398 L C 2.604 179.530 176.870 0.093 0.000 1.127 398 L CA 2.201 57.195 54.840 0.256 0.000 0.786 398 L CB -0.397 41.868 42.059 0.344 0.000 0.914 398 L HN 0.517 nan 8.230 nan 0.000 0.443 399 S N -1.003 114.778 115.700 0.135 0.000 2.335 399 S HA -0.166 4.304 4.470 0.000 0.000 0.217 399 S C 1.657 176.308 174.600 0.085 0.000 1.032 399 S CA 1.198 59.472 58.200 0.124 0.000 0.985 399 S CB -0.256 63.066 63.200 0.202 0.000 0.896 399 S HN 0.547 nan 8.310 nan 0.000 0.445 400 D N 1.177 121.636 120.400 0.098 0.000 2.127 400 D HA -0.126 4.514 4.640 0.000 0.000 0.190 400 D C 2.179 178.395 176.300 -0.140 0.000 1.000 400 D CA 1.629 55.679 54.000 0.084 0.000 0.839 400 D CB -1.036 39.916 40.800 0.253 0.000 0.955 400 D HN 0.296 nan 8.370 nan 0.000 0.446 401 V N 0.918 120.542 119.914 -0.484 0.000 2.233 401 V HA -0.282 3.838 4.120 0.000 0.000 0.252 401 V C 2.724 178.683 176.094 -0.225 0.000 1.063 401 V CA 1.663 63.626 62.300 -0.563 0.000 1.032 401 V CB -0.808 30.761 31.823 -0.424 0.000 0.645 401 V HN 0.067 nan 8.190 nan 0.000 0.446 402 V N 0.566 120.405 119.914 -0.126 0.000 2.427 402 V HA -0.131 3.989 4.120 0.000 0.000 0.248 402 V C 2.625 178.672 176.094 -0.079 0.000 1.051 402 V CA 2.012 64.263 62.300 -0.083 0.000 1.048 402 V CB -1.329 30.491 31.823 -0.006 0.000 0.666 402 V HN 0.637 nan 8.190 nan 0.000 0.456 403 G N -0.083 108.715 108.800 -0.004 0.000 2.446 403 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 403 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 403 G C 1.187 176.054 174.900 -0.055 0.000 1.168 403 G CA 1.304 46.425 45.100 0.037 0.000 0.771 403 G HN 0.521 nan 8.290 nan 0.000 0.551 404 D N -0.387 119.953 120.400 -0.100 0.000 2.087 404 D HA -0.045 4.595 4.640 0.000 0.000 0.201 404 D C 2.091 178.060 176.300 -0.551 0.000 0.980 404 D CA 1.265 55.161 54.000 -0.173 0.000 0.849 404 D CB -0.907 39.954 40.800 0.101 0.000 1.001 404 D HN 0.360 nan 8.370 nan 0.000 0.452 405 H N 0.592 118.971 119.070 -1.152 0.000 2.368 405 H HA -0.134 4.422 4.556 0.000 0.000 0.292 405 H C 1.394 176.295 175.328 -0.711 0.000 1.117 405 H CA 2.118 57.310 56.048 -1.427 0.000 1.231 405 H CB 0.097 29.000 29.762 -1.432 0.000 1.359 405 H HN 0.026 nan 8.280 nan 0.000 0.490 406 N N -1.530 116.772 118.700 -0.664 0.000 2.407 406 N HA 0.056 4.796 4.740 0.000 0.000 0.182 406 N C 1.092 176.418 175.510 -0.308 0.000 1.079 406 N CA 0.968 53.609 53.050 -0.681 0.000 0.882 406 N CB 1.207 39.017 38.487 -1.128 0.000 1.106 406 N HN 0.259 nan 8.380 nan 0.000 0.461 407 V N -0.316 119.489 119.914 -0.183 0.000 3.668 407 V HA 0.073 4.193 4.120 0.000 0.000 0.199 407 V C 2.190 178.266 176.094 -0.030 0.000 1.241 407 V CA 0.143 62.449 62.300 0.010 0.000 1.308 407 V CB -0.381 31.540 31.823 0.163 0.000 1.411 407 V HN -0.212 nan 8.190 nan 0.000 0.535 408 V N 0.507 120.407 119.914 -0.024 0.000 2.222 408 V HA -0.391 3.729 4.120 0.000 0.000 0.252 408 V C 2.576 178.630 176.094 -0.067 0.000 1.060 408 V CA 2.869 65.146 62.300 -0.038 0.000 1.027 408 V CB -1.013 30.809 31.823 -0.002 0.000 0.644 408 V HN 0.718 nan 8.190 nan 0.000 0.448 409 c N -0.213 118.341 118.600 -0.077 0.000 2.413 409 c HA -0.079 4.491 4.570 0.000 0.000 0.276 409 c C 0.669 174.710 174.090 -0.083 0.000 1.236 409 c CA 1.506 57.808 56.329 -0.044 0.000 1.735 409 c CB -2.055 40.452 42.510 -0.004 0.000 2.031 409 c HN 0.476 nan 8.230 nan 0.000 0.474 410 P HA -0.056 nan 4.420 nan 0.000 0.218 410 P C 1.710 178.935 177.300 -0.125 0.000 1.148 410 P CA 1.271 64.279 63.100 -0.154 0.000 0.822 410 P CB -0.099 31.470 31.700 -0.218 0.000 0.784 411 V N -0.012 119.833 119.914 -0.114 0.000 2.323 411 V HA -0.180 3.940 4.120 0.000 0.000 0.244 411 V C 2.423 178.409 176.094 -0.180 0.000 1.041 411 V CA 2.079 64.298 62.300 -0.135 0.000 1.025 411 V CB -1.628 30.119 31.823 -0.127 0.000 0.656 411 V HN 0.071 nan 8.190 nan 0.000 0.451 412 A N -0.440 122.281 122.820 -0.166 0.000 1.948 412 A HA -0.352 3.968 4.320 0.000 0.000 0.220 412 A C 2.224 179.763 177.584 -0.076 0.000 1.177 412 A CA 2.440 54.379 52.037 -0.163 0.000 0.636 412 A CB -0.562 18.403 19.000 -0.059 0.000 0.815 412 A HN 0.664 nan 8.150 nan 0.000 0.449 413 Q N -0.694 119.071 119.800 -0.057 0.000 2.016 413 Q HA -0.151 4.189 4.340 0.000 0.000 0.200 413 Q C 2.037 178.001 176.000 -0.061 0.000 0.978 413 Q CA 1.692 57.475 55.803 -0.032 0.000 0.833 413 Q CB -0.312 28.402 28.738 -0.039 0.000 0.895 413 Q HN 0.590 nan 8.270 nan 0.000 0.427 414 L N 0.677 121.835 121.223 -0.108 0.000 1.989 414 L HA -0.170 4.170 4.340 0.000 0.000 0.211 414 L C 2.367 179.146 176.870 -0.151 0.000 1.071 414 L CA 2.241 56.995 54.840 -0.143 0.000 0.749 414 L CB -0.767 41.199 42.059 -0.156 0.000 0.890 414 L HN 0.337 nan 8.230 nan 0.000 0.431 415 A N -0.147 122.569 122.820 -0.173 0.000 1.873 415 A HA -0.209 4.111 4.320 0.000 0.000 0.218 415 A C 2.367 179.984 177.584 0.055 0.000 1.193 415 A CA 2.128 54.060 52.037 -0.175 0.000 0.629 415 A CB -1.886 16.806 19.000 -0.512 0.000 0.826 415 A HN 0.598 nan 8.150 nan 0.000 0.447 416 G N -0.822 108.090 108.800 0.187 0.000 2.553 416 G HA2 -0.319 3.641 3.960 0.000 0.000 0.218 416 G HA3 -0.319 3.641 3.960 0.000 0.000 0.218 416 G C 1.771 176.707 174.900 0.059 0.000 1.195 416 G CA 1.349 46.574 45.100 0.209 0.000 0.779 416 G HN 0.557 nan 8.290 nan 0.000 0.577 417 R N -0.417 120.081 120.500 -0.004 0.000 2.115 417 R HA 0.186 4.526 4.340 0.000 0.000 0.230 417 R C 2.696 178.940 176.300 -0.095 0.000 1.111 417 R CA 0.559 56.639 56.100 -0.033 0.000 0.976 417 R CB -0.296 29.986 30.300 -0.030 0.000 0.870 417 R HN 0.335 nan 8.270 nan 0.000 0.445 418 L N -0.447 120.657 121.223 -0.199 0.000 2.027 418 L HA -0.109 4.231 4.340 0.000 0.000 0.206 418 L C 2.520 179.328 176.870 -0.104 0.000 1.074 418 L CA 1.295 55.955 54.840 -0.301 0.000 0.745 418 L CB -0.699 41.146 42.059 -0.357 0.000 0.898 418 L HN 0.283 nan 8.230 nan 0.000 0.433 419 A N 0.382 123.176 122.820 -0.044 0.000 1.865 419 A HA -0.220 4.100 4.320 0.000 0.000 0.217 419 A C 2.389 179.960 177.584 -0.022 0.000 1.191 419 A CA 1.916 53.938 52.037 -0.025 0.000 0.623 419 A CB -0.768 18.240 19.000 0.014 0.000 0.826 419 A HN 0.416 nan 8.150 nan 0.000 0.444 420 A N -1.222 121.598 122.820 0.001 0.000 2.216 420 A HA -0.038 4.282 4.320 0.000 0.000 0.214 420 A C 1.625 179.236 177.584 0.045 0.000 1.160 420 A CA 1.220 53.267 52.037 0.016 0.000 0.725 420 A CB -0.356 18.658 19.000 0.022 0.000 0.784 420 A HN 0.693 nan 8.150 nan 0.000 0.472 421 Q N -1.088 118.757 119.800 0.074 0.000 2.175 421 Q HA 0.365 4.705 4.340 0.000 0.000 0.225 421 Q C 0.450 176.508 176.000 0.096 0.000 0.837 421 Q CA 0.086 55.972 55.803 0.138 0.000 1.032 421 Q CB 0.504 29.406 28.738 0.273 0.000 1.137 421 Q HN 0.721 nan 8.270 nan 0.000 0.483 422 G N 1.098 109.884 108.800 -0.024 0.000 2.401 422 G HA2 -0.142 3.818 3.960 0.000 0.000 0.283 422 G HA3 -0.142 3.818 3.960 0.000 0.000 0.283 422 G C -0.215 174.531 174.900 -0.257 0.000 1.117 422 G CA 0.124 45.089 45.100 -0.225 0.000 1.051 422 G HN 0.464 nan 8.290 nan 0.000 0.510 423 A N 0.155 122.907 122.820 -0.114 0.000 2.337 423 A HA 0.909 5.229 4.320 0.000 0.000 0.331 423 A C 0.402 177.917 177.584 -0.114 0.000 1.137 423 A CA -0.699 51.292 52.037 -0.077 0.000 0.807 423 A CB 1.079 20.063 19.000 -0.026 0.000 1.250 423 A HN 0.609 nan 8.150 nan 0.000 0.468 424 R N 1.062 121.497 120.500 -0.109 0.000 2.202 424 R HA 0.505 4.845 4.340 0.000 0.000 0.334 424 R C -1.387 174.758 176.300 -0.259 0.000 1.036 424 R CA -0.045 55.932 56.100 -0.203 0.000 0.878 424 R CB 0.754 30.965 30.300 -0.147 0.000 1.067 424 R HN 0.467 nan 8.270 nan 0.000 0.457 425 V N 5.817 125.520 119.914 -0.352 0.000 2.409 425 V HA 0.312 4.432 4.120 0.000 0.000 0.291 425 V C -1.018 174.816 176.094 -0.433 0.000 1.020 425 V CA -0.742 61.405 62.300 -0.254 0.000 0.848 425 V CB 1.299 33.073 31.823 -0.082 0.000 0.990 425 V HN 0.618 nan 8.190 nan 0.000 0.430 426 Y N 2.912 123.137 120.300 -0.126 0.000 2.331 426 Y HA 0.732 5.282 4.550 0.000 0.000 0.338 426 Y C 0.441 176.344 175.900 0.005 0.000 0.976 426 Y CA -0.591 57.398 58.100 -0.186 0.000 1.137 426 Y CB 1.819 39.824 38.460 -0.758 0.000 1.172 426 Y HN 0.681 nan 8.280 nan 0.000 0.478 427 A N 4.206 127.294 122.820 0.447 0.000 2.303 427 A HA 0.707 5.027 4.320 0.000 0.000 0.320 427 A C -1.480 176.443 177.584 0.566 0.000 1.192 427 A CA -0.694 51.530 52.037 0.312 0.000 0.821 427 A CB 0.160 19.176 19.000 0.026 0.000 1.188 427 A HN 0.712 nan 8.150 nan 0.000 0.492 428 Y N 0.357 120.913 120.300 0.426 0.000 2.487 428 Y HA 0.764 5.314 4.550 0.000 0.000 0.337 428 Y C -0.877 175.192 175.900 0.281 0.000 1.076 428 Y CA -1.847 56.441 58.100 0.313 0.000 1.115 428 Y CB 1.284 39.943 38.460 0.332 0.000 1.235 428 Y HN 0.279 nan 8.280 nan 0.000 0.468 429 V N 4.840 125.069 119.914 0.525 0.000 2.376 429 V HA 0.222 4.342 4.120 0.000 0.000 0.287 429 V C -1.054 175.351 176.094 0.518 0.000 1.015 429 V CA -0.740 61.840 62.300 0.468 0.000 0.834 429 V CB 0.934 32.988 31.823 0.385 0.000 1.001 429 V HN 0.779 nan 8.190 nan 0.000 0.428 430 F N 5.640 125.852 119.950 0.436 0.000 2.404 430 F HA 0.334 4.861 4.527 -0.000 0.000 0.359 430 F C 1.143 177.064 175.800 0.201 0.000 1.134 430 F CA -0.078 58.096 58.000 0.290 0.000 1.160 430 F CB 0.593 39.751 39.000 0.263 0.000 1.186 430 F HN 0.709 nan 8.300 nan 0.000 0.526 431 E N 3.803 123.889 120.200 -0.189 0.000 2.815 431 E HA 0.087 4.437 4.350 0.000 0.000 0.211 431 E C -0.942 175.481 176.600 -0.296 0.000 1.004 431 E CA -0.519 55.784 56.400 -0.161 0.000 1.173 431 E CB -0.101 29.597 29.700 -0.003 0.000 1.163 431 E HN 0.631 nan 8.360 nan 0.000 0.449 432 H N 1.201 119.802 119.070 -0.781 0.000 2.504 432 H HA 0.331 4.887 4.556 0.000 0.000 0.322 432 H C -0.880 174.243 175.328 -0.343 0.000 1.055 432 H CA -0.767 54.920 56.048 -0.601 0.000 1.231 432 H CB 1.089 30.388 29.762 -0.772 0.000 1.417 432 H HN 0.038 nan 8.280 nan 0.000 0.472 433 R N 3.927 123.950 120.500 -0.796 0.000 2.242 433 R HA 0.429 4.769 4.340 0.000 0.000 0.334 433 R C -0.581 175.322 176.300 -0.661 0.000 1.071 433 R CA -0.498 55.292 56.100 -0.516 0.000 0.922 433 R CB 0.166 30.302 30.300 -0.273 0.000 1.023 433 R HN 0.791 nan 8.270 nan 0.000 0.458 434 A N 3.515 126.242 122.820 -0.156 0.000 2.515 434 A HA 0.021 4.341 4.320 0.000 0.000 0.263 434 A C 1.511 179.177 177.584 0.137 0.000 1.096 434 A CA 0.479 52.687 52.037 0.286 0.000 0.769 434 A CB 0.207 19.617 19.000 0.683 0.000 1.040 434 A HN 1.064 nan 8.150 nan 0.000 0.505 435 S N 2.851 118.652 115.700 0.169 0.000 2.399 435 S HA -0.268 4.202 4.470 0.000 0.000 0.235 435 S C 1.501 176.102 174.600 0.001 0.000 1.063 435 S CA 2.369 60.615 58.200 0.078 0.000 1.070 435 S CB -1.333 61.933 63.200 0.109 0.000 0.904 435 S HN 0.831 nan 8.310 nan 0.000 0.456 436 T N 1.742 116.272 114.554 -0.039 0.000 3.052 436 T HA 0.115 4.465 4.350 0.000 0.000 0.270 436 T C 0.660 175.300 174.700 -0.100 0.000 1.147 436 T CA 0.380 62.383 62.100 -0.161 0.000 1.089 436 T CB -0.633 68.034 68.868 -0.335 0.000 0.875 436 T HN 0.380 nan 8.240 nan 0.000 0.541 437 L N 3.085 124.288 121.223 -0.032 0.000 2.433 437 L HA 0.087 4.427 4.340 0.000 0.000 0.275 437 L C 1.667 178.481 176.870 -0.093 0.000 1.128 437 L CA -0.377 54.441 54.840 -0.035 0.000 0.875 437 L CB 0.541 42.591 42.059 -0.015 0.000 1.171 437 L HN 0.205 nan 8.230 nan 0.000 0.463 438 S N 2.803 118.377 115.700 -0.210 0.000 2.488 438 S HA -0.142 4.328 4.470 0.000 0.000 0.246 438 S C 0.078 174.667 174.600 -0.018 0.000 0.992 438 S CA 0.217 58.211 58.200 -0.342 0.000 0.963 438 S CB -0.321 62.254 63.200 -1.041 0.000 0.754 438 S HN 0.535 nan 8.310 nan 0.000 0.519 439 W N 1.800 123.094 121.300 -0.011 0.000 2.551 439 W HA 0.554 5.214 4.660 -0.000 0.000 0.330 439 W C -2.543 173.868 176.519 -0.180 0.000 1.063 439 W CA -2.745 54.564 57.345 -0.060 0.000 1.222 439 W CB 0.121 29.464 29.460 -0.194 0.000 1.349 439 W HN -0.107 nan 8.180 nan 0.000 0.536 440 P HA -0.165 nan 4.420 nan 0.000 0.265 440 P C 0.898 178.124 177.300 -0.122 0.000 1.167 440 P CA 0.355 63.382 63.100 -0.122 0.000 0.760 440 P CB 0.618 32.061 31.700 -0.429 0.000 0.783 441 L N 3.328 124.551 121.223 0.002 0.000 2.189 441 L HA -0.153 4.187 4.340 0.000 0.000 0.214 441 L C 2.158 179.083 176.870 0.091 0.000 1.097 441 L CA 1.417 56.280 54.840 0.037 0.000 0.764 441 L CB -0.617 41.485 42.059 0.072 0.000 0.900 441 L HN 0.617 nan 8.230 nan 0.000 0.436 442 W N -0.964 120.379 121.300 0.072 0.000 2.363 442 W HA -0.209 4.451 4.660 0.000 0.000 0.296 442 W C 1.675 178.242 176.519 0.080 0.000 1.212 442 W CA 0.590 57.980 57.345 0.075 0.000 1.260 442 W CB -0.894 28.617 29.460 0.084 0.000 1.131 442 W HN 0.107 nan 8.180 nan 0.000 0.530 443 M N 1.937 121.259 119.600 -0.462 0.000 2.700 443 M HA 0.097 4.577 4.480 0.000 0.000 0.249 443 M C 1.621 177.850 176.300 -0.118 0.000 1.082 443 M CA 1.332 56.357 55.300 -0.459 0.000 1.077 443 M CB -1.107 31.019 32.600 -0.790 0.000 1.477 443 M HN 0.233 nan 8.290 nan 0.000 0.529 444 G N 0.676 109.466 108.800 -0.018 0.000 2.594 444 G HA2 -0.295 3.665 3.960 0.000 0.000 0.297 444 G HA3 -0.295 3.665 3.960 0.000 0.000 0.297 444 G C -0.155 174.730 174.900 -0.024 0.000 1.273 444 G CA -0.168 44.941 45.100 0.016 0.000 0.974 444 G HN 0.270 nan 8.290 nan 0.000 0.552 445 V N 3.174 123.097 119.914 0.015 0.000 2.352 445 V HA 0.367 4.487 4.120 0.000 0.000 0.253 445 V C -1.473 174.690 176.094 0.114 0.000 1.083 445 V CA -0.399 61.934 62.300 0.056 0.000 0.993 445 V CB 0.590 32.466 31.823 0.088 0.000 1.111 445 V HN 0.524 nan 8.190 nan 0.000 0.490 446 P HA 0.232 nan 4.420 nan 0.000 0.282 446 P C -0.461 176.970 177.300 0.218 0.000 1.287 446 P CA -0.719 62.433 63.100 0.087 0.000 0.792 446 P CB 0.428 32.032 31.700 -0.159 0.000 1.163 447 H N -0.384 118.663 119.070 -0.038 0.000 3.145 447 H HA 0.377 4.933 4.556 0.000 0.000 0.263 447 H C 1.141 176.275 175.328 -0.324 0.000 1.057 447 H CA 1.769 57.728 56.048 -0.149 0.000 1.477 447 H CB -1.002 28.617 29.762 -0.239 0.000 1.529 447 H HN 0.636 nan 8.280 nan 0.000 0.508 448 G N 3.595 112.111 108.800 -0.473 0.000 2.421 448 G HA2 -0.252 3.708 3.960 0.000 0.000 0.188 448 G HA3 -0.252 3.708 3.960 0.000 0.000 0.188 448 G C 0.274 174.943 174.900 -0.385 0.000 1.001 448 G CA 0.011 44.760 45.100 -0.585 0.000 0.693 448 G HN 0.565 nan 8.290 nan 0.000 0.479 449 Y N 2.174 122.517 120.300 0.071 0.000 2.537 449 Y HA 0.279 4.829 4.550 -0.000 0.000 0.303 449 Y C 2.210 178.138 175.900 0.046 0.000 1.176 449 Y CA 0.785 58.996 58.100 0.185 0.000 1.273 449 Y CB 0.370 38.978 38.460 0.247 0.000 1.110 449 Y HN 0.505 nan 8.280 nan 0.000 0.518 450 E N -0.108 119.928 120.200 -0.273 0.000 2.364 450 E HA -0.035 4.315 4.350 0.000 0.000 0.196 450 E C 1.429 177.815 176.600 -0.357 0.000 0.990 450 E CA 0.585 56.431 56.400 -0.924 0.000 0.886 450 E CB -0.165 28.887 29.700 -1.080 0.000 0.866 450 E HN 0.534 nan 8.360 nan 0.000 0.493 451 I N 1.821 122.316 120.570 -0.125 0.000 2.141 451 I HA -0.235 3.935 4.170 0.000 0.000 0.236 451 I C 2.262 178.362 176.117 -0.029 0.000 1.071 451 I CA 1.309 62.560 61.300 -0.082 0.000 1.345 451 I CB -0.612 37.350 38.000 -0.063 0.000 1.066 451 I HN 0.019 nan 8.210 nan 0.000 0.406 452 E N 0.952 121.157 120.200 0.008 0.000 2.446 452 E HA -0.316 4.034 4.350 0.000 0.000 0.248 452 E C 1.959 178.535 176.600 -0.040 0.000 1.081 452 E CA 2.405 58.819 56.400 0.023 0.000 1.143 452 E CB -0.660 29.177 29.700 0.229 0.000 1.012 452 E HN 0.436 nan 8.360 nan 0.000 0.487 453 F N -0.394 119.475 119.950 -0.135 0.000 2.558 453 F HA 0.009 4.536 4.527 0.000 0.000 0.298 453 F C 2.149 177.768 175.800 -0.302 0.000 1.119 453 F CA 0.318 58.208 58.000 -0.184 0.000 1.451 453 F CB -0.062 38.938 39.000 0.000 0.000 1.091 453 F HN 0.037 nan 8.300 nan 0.000 0.563 454 I N -1.455 119.036 120.570 -0.131 0.000 2.584 454 I HA -0.137 4.033 4.170 0.000 0.000 0.255 454 I C 1.753 177.745 176.117 -0.208 0.000 1.145 454 I CA 1.002 62.076 61.300 -0.378 0.000 1.462 454 I CB -1.021 36.635 38.000 -0.573 0.000 1.102 454 I HN 0.031 nan 8.210 nan 0.000 0.433 455 F N 1.395 121.173 119.950 -0.287 0.000 2.811 455 F HA 0.238 4.765 4.527 0.000 0.000 0.301 455 F C 1.814 177.492 175.800 -0.203 0.000 1.151 455 F CA 0.486 58.345 58.000 -0.236 0.000 1.412 455 F CB -0.506 38.340 39.000 -0.257 0.000 1.113 455 F HN 0.273 nan 8.300 nan 0.000 0.579 456 G N 0.315 109.020 108.800 -0.158 0.000 2.176 456 G HA2 -0.286 3.674 3.960 0.000 0.000 0.252 456 G HA3 -0.286 3.674 3.960 0.000 0.000 0.252 456 G C 1.162 175.717 174.900 -0.576 0.000 1.024 456 G CA 0.436 45.369 45.100 -0.278 0.000 0.755 456 G HN 0.243 nan 8.290 nan 0.000 0.507 457 I N 0.897 121.124 120.570 -0.572 0.000 2.163 457 I HA -0.129 4.041 4.170 0.000 0.000 0.243 457 I C 0.638 176.260 176.117 -0.825 0.000 1.085 457 I CA 2.021 62.886 61.300 -0.725 0.000 1.347 457 I CB -2.287 35.472 38.000 -0.401 0.000 1.044 457 I HN 0.140 nan 8.210 nan 0.000 0.408 458 P HA -0.226 nan 4.420 nan 0.000 0.222 458 P C 2.155 179.221 177.300 -0.390 0.000 1.155 458 P CA 1.632 64.133 63.100 -0.998 0.000 0.890 458 P CB -0.312 30.780 31.700 -1.013 0.000 0.790 459 L N -1.082 119.864 121.223 -0.461 0.000 2.263 459 L HA -0.155 4.185 4.340 0.000 0.000 0.216 459 L C 1.141 177.938 176.870 -0.122 0.000 1.111 459 L CA 1.054 55.736 54.840 -0.262 0.000 0.773 459 L CB -1.226 40.719 42.059 -0.191 0.000 0.906 459 L HN 0.092 nan 8.230 nan 0.000 0.439 460 D N 0.995 121.233 120.400 -0.269 0.000 2.359 460 D HA 0.070 4.710 4.640 0.000 0.000 0.250 460 D C -1.681 174.636 176.300 0.028 0.000 1.264 460 D CA -2.199 51.819 54.000 0.031 0.000 0.911 460 D CB 1.209 42.040 40.800 0.052 0.000 1.056 460 D HN -0.011 nan 8.370 nan 0.000 0.499 461 P HA -0.039 nan 4.420 nan 0.000 0.236 461 P C 1.054 178.364 177.300 0.016 0.000 1.177 461 P CA 0.262 63.381 63.100 0.030 0.000 0.773 461 P CB 0.030 31.748 31.700 0.030 0.000 0.878 462 S N -0.347 115.367 115.700 0.023 0.000 2.672 462 S HA -0.094 4.376 4.470 0.000 0.000 0.250 462 S C 0.654 175.239 174.600 -0.024 0.000 0.975 462 S CA 0.341 58.544 58.200 0.004 0.000 0.971 462 S CB -0.877 62.336 63.200 0.022 0.000 0.765 462 S HN -0.040 nan 8.310 nan 0.000 0.543 463 R N 0.134 120.616 120.500 -0.030 0.000 2.668 463 R HA 0.245 4.585 4.340 0.000 0.000 0.272 463 R C -0.839 175.389 176.300 -0.120 0.000 1.019 463 R CA -0.521 55.525 56.100 -0.089 0.000 0.894 463 R CB 0.977 31.251 30.300 -0.043 0.000 1.228 463 R HN 0.185 nan 8.270 nan 0.000 0.460 464 N N 0.664 119.213 118.700 -0.252 0.000 2.501 464 N HA -0.004 4.736 4.740 0.000 0.000 0.195 464 N C -0.405 174.990 175.510 -0.191 0.000 1.213 464 N CA 0.312 53.238 53.050 -0.207 0.000 0.864 464 N CB -0.253 38.112 38.487 -0.203 0.000 0.999 464 N HN 0.367 nan 8.380 nan 0.000 0.454 465 Y N 1.180 121.438 120.300 -0.070 0.000 2.717 465 Y HA -0.076 4.474 4.550 -0.000 0.000 0.330 465 Y C 1.855 177.738 175.900 -0.028 0.000 1.217 465 Y CA -0.355 57.711 58.100 -0.057 0.000 1.506 465 Y CB 0.007 38.392 38.460 -0.126 0.000 1.268 465 Y HN -0.013 nan 8.280 nan 0.000 0.561 466 T N 0.287 114.927 114.554 0.143 0.000 2.785 466 T HA 0.021 4.371 4.350 0.000 0.000 0.341 466 T C 1.038 175.788 174.700 0.084 0.000 1.093 466 T CA -0.059 62.097 62.100 0.093 0.000 1.103 466 T CB 0.644 69.562 68.868 0.085 0.000 1.011 466 T HN 0.800 nan 8.240 nan 0.000 0.549 467 A N 0.846 123.695 122.820 0.048 0.000 2.308 467 A HA 0.257 4.577 4.320 0.000 0.000 0.217 467 A C 2.104 179.705 177.584 0.028 0.000 1.216 467 A CA 0.449 52.506 52.037 0.034 0.000 0.864 467 A CB -0.501 18.513 19.000 0.022 0.000 0.902 467 A HN 0.990 nan 8.150 nan 0.000 0.499 468 E N 0.231 120.448 120.200 0.028 0.000 2.122 468 E HA -0.116 4.234 4.350 0.000 0.000 0.190 468 E C 1.512 178.132 176.600 0.034 0.000 0.977 468 E CA 0.649 57.058 56.400 0.016 0.000 0.820 468 E CB 0.026 29.718 29.700 -0.013 0.000 0.770 468 E HN 0.716 nan 8.360 nan 0.000 0.462 469 E N 0.707 120.942 120.200 0.057 0.000 2.130 469 E HA -0.227 4.123 4.350 0.000 0.000 0.196 469 E C 1.910 178.550 176.600 0.068 0.000 0.998 469 E CA 1.092 57.565 56.400 0.122 0.000 0.806 469 E CB -0.025 29.790 29.700 0.192 0.000 0.738 469 E HN 0.144 nan 8.360 nan 0.000 0.459 470 K N 0.292 120.692 120.400 0.001 0.000 2.283 470 K HA -0.072 4.248 4.320 0.000 0.000 0.202 470 K C 1.974 178.567 176.600 -0.011 0.000 1.048 470 K CA 0.767 57.018 56.287 -0.060 0.000 0.948 470 K CB 0.020 32.490 32.500 -0.050 0.000 0.742 470 K HN 0.145 nan 8.250 nan 0.000 0.458 471 I N -0.171 120.425 120.570 0.042 0.000 2.716 471 I HA -0.171 3.999 4.170 0.000 0.000 0.259 471 I C 1.921 178.105 176.117 0.111 0.000 1.172 471 I CA 0.452 61.783 61.300 0.052 0.000 1.478 471 I CB -0.068 37.958 38.000 0.044 0.000 1.104 471 I HN 0.021 nan 8.210 nan 0.000 0.439 472 F N 2.157 122.096 119.950 -0.018 0.000 2.022 472 F HA -0.183 4.344 4.527 -0.000 0.000 0.293 472 F C 2.612 178.432 175.800 0.035 0.000 1.142 472 F CA 1.331 59.346 58.000 0.025 0.000 1.177 472 F CB -0.898 38.145 39.000 0.072 0.000 0.982 472 F HN 0.029 nan 8.300 nan 0.000 0.473 473 A N -0.301 122.546 122.820 0.044 0.000 2.016 473 A HA -0.391 3.929 4.320 0.000 0.000 0.225 473 A C 2.115 179.601 177.584 -0.163 0.000 1.230 473 A CA 2.610 54.568 52.037 -0.132 0.000 0.678 473 A CB -1.160 17.710 19.000 -0.217 0.000 0.826 473 A HN 0.698 nan 8.150 nan 0.000 0.484 474 Q N -1.894 117.839 119.800 -0.110 0.000 2.123 474 Q HA -0.012 4.328 4.340 0.000 0.000 0.196 474 Q C 2.395 178.306 176.000 -0.148 0.000 0.958 474 Q CA 1.034 56.774 55.803 -0.106 0.000 0.841 474 Q CB -0.063 28.636 28.738 -0.064 0.000 0.915 474 Q HN 0.695 nan 8.270 nan 0.000 0.455 475 R N 0.242 120.640 120.500 -0.169 0.000 2.094 475 R HA -0.180 4.160 4.340 0.000 0.000 0.239 475 R C 2.150 178.229 176.300 -0.368 0.000 1.137 475 R CA 1.504 57.426 56.100 -0.297 0.000 0.943 475 R CB -0.313 29.873 30.300 -0.190 0.000 0.850 475 R HN 0.221 nan 8.270 nan 0.000 0.433 476 L N -0.085 120.980 121.223 -0.262 0.000 1.970 476 L HA -0.256 4.084 4.340 0.000 0.000 0.212 476 L C 2.660 179.516 176.870 -0.023 0.000 1.071 476 L CA 1.656 56.431 54.840 -0.109 0.000 0.751 476 L CB -0.529 41.279 42.059 -0.418 0.000 0.889 476 L HN 0.334 nan 8.230 nan 0.000 0.432 477 M N -0.740 118.772 119.600 -0.146 0.000 2.252 477 M HA -0.289 4.191 4.480 0.000 0.000 0.257 477 M C 2.383 178.702 176.300 0.030 0.000 1.077 477 M CA 1.691 56.945 55.300 -0.077 0.000 1.066 477 M CB -0.443 32.089 32.600 -0.113 0.000 1.380 477 M HN 0.202 nan 8.290 nan 0.000 0.412 478 R N -0.239 120.244 120.500 -0.028 0.000 2.055 478 R HA -0.137 4.203 4.340 0.000 0.000 0.228 478 R C 1.926 178.297 176.300 0.118 0.000 1.143 478 R CA 1.688 57.769 56.100 -0.032 0.000 0.945 478 R CB -0.460 29.738 30.300 -0.170 0.000 0.841 478 R HN 0.174 nan 8.270 nan 0.000 0.429 479 Y N -0.020 120.407 120.300 0.211 0.000 2.030 479 Y HA -0.366 4.185 4.550 0.000 0.000 0.272 479 Y C 2.327 178.398 175.900 0.285 0.000 1.185 479 Y CA 1.644 59.917 58.100 0.288 0.000 1.120 479 Y CB -1.174 37.594 38.460 0.514 0.000 0.955 479 Y HN 0.255 nan 8.280 nan 0.000 0.495 480 W N -0.591 120.815 121.300 0.177 0.000 2.317 480 W HA -0.288 4.372 4.660 -0.000 0.000 0.318 480 W C 2.651 179.196 176.519 0.044 0.000 1.227 480 W CA 1.466 58.849 57.345 0.063 0.000 1.269 480 W CB -0.705 28.721 29.460 -0.056 0.000 1.155 480 W HN 0.129 nan 8.180 nan 0.000 0.484 481 A N 0.237 123.187 122.820 0.217 0.000 1.930 481 A HA -0.208 4.112 4.320 0.000 0.000 0.217 481 A C 1.629 179.252 177.584 0.064 0.000 1.175 481 A CA 1.944 54.031 52.037 0.085 0.000 0.627 481 A CB -1.061 17.962 19.000 0.039 0.000 0.815 481 A HN 0.304 nan 8.150 nan 0.000 0.443 482 N N -0.941 117.815 118.700 0.093 0.000 2.104 482 N HA -0.160 4.580 4.740 0.000 0.000 0.190 482 N C 1.316 176.834 175.510 0.013 0.000 1.024 482 N CA 1.645 54.727 53.050 0.053 0.000 0.853 482 N CB -0.456 38.082 38.487 0.085 0.000 1.008 482 N HN 0.497 nan 8.380 nan 0.000 0.424 483 F N 1.366 121.255 119.950 -0.102 0.000 2.069 483 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 483 F C 2.176 177.914 175.800 -0.103 0.000 1.113 483 F CA 1.581 59.482 58.000 -0.165 0.000 1.214 483 F CB -0.783 38.045 39.000 -0.287 0.000 0.978 483 F HN 0.061 nan 8.300 nan 0.000 0.474 484 A N 0.458 123.230 122.820 -0.080 0.000 1.917 484 A HA -0.243 4.077 4.320 0.000 0.000 0.219 484 A C 2.385 179.869 177.584 -0.167 0.000 1.182 484 A CA 2.069 54.032 52.037 -0.124 0.000 0.633 484 A CB -0.799 18.182 19.000 -0.032 0.000 0.819 484 A HN 0.492 nan 8.150 nan 0.000 0.448 485 R N -1.360 119.069 120.500 -0.120 0.000 2.066 485 R HA -0.074 4.266 4.340 0.000 0.000 0.232 485 R C 2.023 178.241 176.300 -0.136 0.000 1.131 485 R CA 1.916 57.957 56.100 -0.099 0.000 0.955 485 R CB -0.291 29.976 30.300 -0.055 0.000 0.851 485 R HN 0.737 nan 8.270 nan 0.000 0.432 486 T N -5.103 109.349 114.554 -0.170 0.000 3.004 486 T HA 0.250 4.600 4.350 0.000 0.000 0.266 486 T C 1.083 175.651 174.700 -0.221 0.000 0.986 486 T CA 0.331 62.336 62.100 -0.158 0.000 0.902 486 T CB 1.388 70.199 68.868 -0.094 0.000 1.118 486 T HN 0.363 nan 8.240 nan 0.000 0.522 487 G N 1.395 109.934 108.800 -0.435 0.000 2.147 487 G HA2 -0.171 3.789 3.960 0.000 0.000 0.244 487 G HA3 -0.171 3.789 3.960 0.000 0.000 0.244 487 G C -0.409 174.428 174.900 -0.104 0.000 1.005 487 G CA 0.208 44.989 45.100 -0.531 0.000 0.713 487 G HN 0.770 nan 8.290 nan 0.000 0.515 488 D N -0.731 119.599 120.400 -0.117 0.000 2.936 488 D HA 0.414 5.054 4.640 0.000 0.000 0.238 488 D C -1.635 174.528 176.300 -0.228 0.000 1.248 488 D CA -1.439 52.434 54.000 -0.213 0.000 0.903 488 D CB 2.250 42.966 40.800 -0.139 0.000 1.544 488 D HN -0.001 nan 8.370 nan 0.000 0.543 489 P HA -0.019 nan 4.420 nan 0.000 0.231 489 P C 0.147 177.494 177.300 0.079 0.000 1.168 489 P CA 0.426 63.403 63.100 -0.206 0.000 0.779 489 P CB 0.355 31.660 31.700 -0.658 0.000 0.844 490 N N -0.532 118.147 118.700 -0.034 0.000 2.604 490 N HA 0.194 4.934 4.740 0.000 0.000 0.297 490 N C -0.334 175.236 175.510 0.100 0.000 1.266 490 N CA -0.847 52.315 53.050 0.186 0.000 0.961 490 N CB 0.776 39.424 38.487 0.269 0.000 1.166 490 N HN -0.280 nan 8.380 nan 0.000 0.601 491 E N 1.386 121.659 120.200 0.122 0.000 2.104 491 E HA 0.221 4.571 4.350 0.000 0.000 0.278 491 E C -1.899 174.729 176.600 0.046 0.000 1.127 491 E CA -1.307 55.138 56.400 0.076 0.000 0.897 491 E CB 0.730 30.476 29.700 0.078 0.000 1.043 491 E HN 0.479 nan 8.360 nan 0.000 0.410 495 P HA 0.053 nan 4.420 nan 0.000 0.286 495 P C 1.122 178.453 177.300 0.052 0.000 1.577 495 P CA 0.105 63.237 63.100 0.053 0.000 0.805 495 P CB 0.222 31.951 31.700 0.047 0.000 1.706 496 K N 0.358 120.790 120.400 0.052 0.000 1.991 496 K HA -0.011 4.309 4.320 0.000 0.000 0.207 496 K C 1.116 177.749 176.600 0.056 0.000 1.045 496 K CA 0.872 57.188 56.287 0.049 0.000 0.937 496 K CB -0.331 32.195 32.500 0.043 0.000 0.720 496 K HN 0.147 nan 8.250 nan 0.000 0.438 497 A N 1.481 124.344 122.820 0.072 0.000 2.267 497 A HA 0.357 4.677 4.320 0.000 0.000 0.276 497 A C -2.148 175.489 177.584 0.088 0.000 1.336 497 A CA -1.012 51.076 52.037 0.086 0.000 0.815 497 A CB -0.648 18.421 19.000 0.116 0.000 1.256 497 A HN 0.394 nan 8.150 nan 0.000 0.512 498 P HA 0.334 nan 4.420 nan 0.000 0.288 498 P C -0.842 176.535 177.300 0.127 0.000 1.267 498 P CA -0.539 62.615 63.100 0.091 0.000 0.815 498 P CB 0.617 32.356 31.700 0.065 0.000 0.989 499 Q N 0.736 120.614 119.800 0.129 0.000 2.421 499 Q HA 0.089 4.429 4.340 0.000 0.000 0.255 499 Q C -0.755 175.392 176.000 0.246 0.000 1.013 499 Q CA 0.275 56.183 55.803 0.175 0.000 0.895 499 Q CB 0.567 29.395 28.738 0.148 0.000 1.271 499 Q HN 0.543 nan 8.270 nan 0.000 0.460 500 W N 6.290 127.621 121.300 0.050 0.000 2.283 500 W HA 0.345 5.005 4.660 -0.000 0.000 0.317 500 W C -2.438 174.178 176.519 0.161 0.000 1.042 500 W CA -2.723 54.652 57.345 0.050 0.000 1.348 500 W CB 0.511 29.927 29.460 -0.073 0.000 1.216 500 W HN 0.369 nan 8.180 nan 0.000 0.404 501 P HA 0.220 nan 4.420 nan 0.000 0.282 501 P C -2.483 175.092 177.300 0.458 0.000 1.249 501 P CA -1.489 61.856 63.100 0.409 0.000 0.806 501 P CB 0.901 32.752 31.700 0.251 0.000 0.984 502 P HA -0.056 nan 4.420 nan 0.000 0.265 502 P C -0.458 176.879 177.300 0.062 0.000 1.187 502 P CA 0.262 63.299 63.100 -0.105 0.000 0.766 502 P CB 0.334 31.869 31.700 -0.275 0.000 0.820 503 Y N 2.978 123.250 120.300 -0.047 0.000 2.397 503 Y HA 0.278 4.828 4.550 -0.000 0.000 0.335 503 Y C 0.554 176.428 175.900 -0.044 0.000 1.213 503 Y CA 1.124 59.235 58.100 0.018 0.000 1.391 503 Y CB 0.622 39.099 38.460 0.029 0.000 1.293 503 Y HN 0.522 nan 8.280 nan 0.000 0.557 504 T N 1.198 115.462 114.554 -0.483 0.000 2.821 504 T HA 0.570 4.920 4.350 0.000 0.000 0.306 504 T C 0.483 174.911 174.700 -0.453 0.000 1.313 504 T CA -0.490 61.425 62.100 -0.309 0.000 1.012 504 T CB 1.116 69.870 68.868 -0.190 0.000 1.298 504 T HN 0.691 nan 8.240 nan 0.000 0.502 505 A N 0.771 123.472 122.820 -0.198 0.000 1.908 505 A HA 0.184 4.504 4.320 0.000 0.000 0.218 505 A C 2.141 179.645 177.584 -0.134 0.000 1.181 505 A CA 2.341 54.303 52.037 -0.125 0.000 0.627 505 A CB -1.492 17.485 19.000 -0.039 0.000 0.818 505 A HN 1.166 nan 8.150 nan 0.000 0.445 506 G N -1.401 107.327 108.800 -0.120 0.000 2.471 506 G HA2 0.219 4.179 3.960 0.000 0.000 0.211 506 G HA3 0.219 4.179 3.960 0.000 0.000 0.211 506 G C 1.757 176.598 174.900 -0.098 0.000 1.194 506 G CA 1.042 46.094 45.100 -0.081 0.000 0.816 506 G HN 0.763 nan 8.290 nan 0.000 0.545 507 A N -0.316 122.434 122.820 -0.117 0.000 1.930 507 A HA 0.116 4.436 4.320 0.000 0.000 0.217 507 A C 1.320 178.830 177.584 -0.122 0.000 1.175 507 A CA 1.503 53.488 52.037 -0.087 0.000 0.627 507 A CB -0.413 18.549 19.000 -0.062 0.000 0.815 507 A HN 0.499 nan 8.150 nan 0.000 0.443 508 Q N -0.379 119.220 119.800 -0.336 0.000 2.454 508 Q HA -0.178 4.162 4.340 0.000 0.000 0.341 508 Q C -1.035 174.962 176.000 -0.006 0.000 1.437 508 Q CA 0.576 56.045 55.803 -0.557 0.000 0.935 508 Q CB -1.569 27.044 28.738 -0.208 0.000 1.164 508 Q HN 0.848 nan 8.270 nan 0.000 0.373 509 Q N 1.055 120.898 119.800 0.073 0.000 2.290 509 Q HA 0.512 4.852 4.340 0.000 0.000 0.259 509 Q C -0.486 175.818 176.000 0.508 0.000 0.941 509 Q CA -0.389 55.566 55.803 0.254 0.000 0.912 509 Q CB 0.849 29.673 28.738 0.144 0.000 1.244 509 Q HN 0.361 nan 8.270 nan 0.000 0.441 510 Y N -0.690 119.773 120.300 0.271 0.000 2.686 510 Y HA 0.793 5.343 4.550 0.000 0.000 0.330 510 Y C -0.427 175.524 175.900 0.084 0.000 1.082 510 Y CA -1.567 56.684 58.100 0.252 0.000 1.158 510 Y CB 0.371 38.949 38.460 0.198 0.000 1.333 510 Y HN 0.325 nan 8.280 nan 0.000 0.519 511 V N -1.143 118.749 119.914 -0.036 0.000 2.914 511 V HA 0.824 4.944 4.120 0.000 0.000 0.314 511 V C -0.441 175.584 176.094 -0.116 0.000 1.084 511 V CA -0.863 61.244 62.300 -0.322 0.000 0.963 511 V CB 1.322 32.673 31.823 -0.786 0.000 1.025 511 V HN 1.099 nan 8.190 nan 0.000 0.432 512 S N 3.570 119.204 115.700 -0.110 0.000 2.562 512 S HA 0.753 5.223 4.470 0.000 0.000 0.275 512 S C -0.457 174.150 174.600 0.013 0.000 1.281 512 S CA -0.700 57.515 58.200 0.025 0.000 1.045 512 S CB 0.887 64.093 63.200 0.011 0.000 0.962 512 S HN 0.776 nan 8.310 nan 0.000 0.503 513 L N 3.456 124.751 121.223 0.121 0.000 2.316 513 L HA 0.564 4.904 4.340 0.000 0.000 0.280 513 L C -0.780 176.183 176.870 0.155 0.000 1.006 513 L CA -0.423 54.553 54.840 0.228 0.000 0.836 513 L CB 0.726 42.986 42.059 0.335 0.000 1.221 513 L HN 0.877 nan 8.230 nan 0.000 0.418 514 D N 2.065 122.518 120.400 0.088 0.000 3.057 514 D HA 0.280 4.920 4.640 0.000 0.000 0.328 514 D C 0.605 176.541 176.300 -0.608 0.000 1.317 514 D CA -0.728 53.035 54.000 -0.394 0.000 0.973 514 D CB 0.597 41.251 40.800 -0.243 0.000 1.424 514 D HN 0.108 nan 8.370 nan 0.000 0.569 515 L N -0.482 120.312 121.223 -0.716 0.000 1.994 515 L HA 0.080 4.420 4.340 0.000 0.000 0.208 515 L C 1.447 178.213 176.870 -0.173 0.000 1.071 515 L CA 0.965 55.514 54.840 -0.485 0.000 0.745 515 L CB -0.847 40.958 42.059 -0.424 0.000 0.892 515 L HN 0.142 nan 8.230 nan 0.000 0.431 516 R N 0.929 121.358 120.500 -0.119 0.000 2.862 516 R HA 0.022 4.362 4.340 0.000 0.000 0.267 516 R C -2.071 174.235 176.300 0.009 0.000 0.995 516 R CA -1.077 54.999 56.100 -0.041 0.000 1.140 516 R CB -0.853 29.427 30.300 -0.033 0.000 1.031 516 R HN 0.101 nan 8.270 nan 0.000 0.459 517 P HA 0.042 nan 4.420 nan 0.000 0.276 517 P C -0.309 177.018 177.300 0.045 0.000 1.261 517 P CA -0.393 62.746 63.100 0.064 0.000 0.800 517 P CB 0.404 32.141 31.700 0.061 0.000 1.066 518 L N 0.137 121.395 121.223 0.058 0.000 2.771 518 L HA -0.069 4.272 4.340 0.000 0.000 0.278 518 L C 1.085 177.931 176.870 -0.039 0.000 1.175 518 L CA 0.940 55.765 54.840 -0.024 0.000 0.973 518 L CB -1.018 41.013 42.059 -0.048 0.000 1.286 518 L HN 0.468 nan 8.230 nan 0.000 0.481 519 E N 2.652 122.811 120.200 -0.068 0.000 2.227 519 E HA 0.320 4.670 4.350 0.000 0.000 0.282 519 E C -0.972 175.543 176.600 -0.141 0.000 1.015 519 E CA -0.659 55.694 56.400 -0.078 0.000 0.823 519 E CB 1.833 31.493 29.700 -0.066 0.000 1.081 519 E HN 0.317 nan 8.360 nan 0.000 0.396 520 V N 6.180 126.023 119.914 -0.119 0.000 2.348 520 V HA 0.266 4.386 4.120 0.000 0.000 0.270 520 V C 0.154 176.129 176.094 -0.199 0.000 1.037 520 V CA -0.260 61.950 62.300 -0.150 0.000 0.872 520 V CB 0.708 32.501 31.823 -0.050 0.000 1.002 520 V HN 0.614 nan 8.190 nan 0.000 0.464 521 R N 4.720 124.970 120.500 -0.416 0.000 2.674 521 R HA 0.698 5.038 4.340 0.000 0.000 0.266 521 R C -0.529 175.594 176.300 -0.295 0.000 1.016 521 R CA -0.936 54.904 56.100 -0.433 0.000 1.062 521 R CB 1.934 31.803 30.300 -0.719 0.000 1.142 521 R HN 0.538 nan 8.270 nan 0.000 0.517 522 R N -0.206 120.282 120.500 -0.021 0.000 2.664 522 R HA 0.408 4.748 4.340 0.000 0.000 0.286 522 R C -0.180 176.333 176.300 0.355 0.000 0.967 522 R CA -0.393 55.803 56.100 0.160 0.000 0.933 522 R CB 1.915 32.269 30.300 0.089 0.000 1.146 522 R HN 0.931 nan 8.270 nan 0.000 0.468 523 G N 2.315 111.352 108.800 0.396 0.000 2.799 523 G HA2 -0.204 3.756 3.960 0.000 0.000 0.271 523 G HA3 -0.204 3.756 3.960 0.000 0.000 0.271 523 G C -0.504 174.569 174.900 0.288 0.000 1.067 523 G CA -0.727 44.553 45.100 0.300 0.000 1.251 523 G HN 0.415 nan 8.290 nan 0.000 0.560 524 L N 1.928 123.229 121.223 0.129 0.000 2.546 524 L HA 0.476 4.816 4.340 0.000 0.000 0.272 524 L C 1.319 178.163 176.870 -0.044 0.000 1.327 524 L CA 0.399 55.098 54.840 -0.235 0.000 1.199 524 L CB -1.388 40.514 42.059 -0.263 0.000 1.401 524 L HN 0.773 nan 8.230 nan 0.000 0.440 525 R N 1.760 122.282 120.500 0.037 0.000 3.201 525 R HA -0.233 4.107 4.340 0.000 0.000 0.254 525 R C 1.206 177.586 176.300 0.133 0.000 0.978 525 R CA 0.734 56.895 56.100 0.102 0.000 0.661 525 R CB -1.406 28.951 30.300 0.095 0.000 1.170 525 R HN 0.718 nan 8.270 nan 0.000 0.430 526 A N 0.421 123.321 122.820 0.133 0.000 1.872 526 A HA -0.157 4.163 4.320 0.000 0.000 0.214 526 A C 1.702 179.365 177.584 0.131 0.000 1.187 526 A CA 1.258 53.374 52.037 0.132 0.000 0.614 526 A CB -0.171 18.905 19.000 0.126 0.000 0.826 526 A HN 0.549 nan 8.150 nan 0.000 0.442 527 Q N -0.388 119.486 119.800 0.124 0.000 2.170 527 Q HA -0.119 4.221 4.340 0.000 0.000 0.203 527 Q C 2.334 178.412 176.000 0.130 0.000 0.976 527 Q CA 1.530 57.401 55.803 0.114 0.000 0.858 527 Q CB -0.494 28.303 28.738 0.098 0.000 0.907 527 Q HN 0.667 nan 8.270 nan 0.000 0.433 528 A N 0.256 123.177 122.820 0.170 0.000 1.898 528 A HA -0.110 4.210 4.320 0.000 0.000 0.214 528 A C 2.464 180.279 177.584 0.385 0.000 1.183 528 A CA 0.974 53.154 52.037 0.239 0.000 0.622 528 A CB -0.763 18.443 19.000 0.344 0.000 0.824 528 A HN 0.441 nan 8.150 nan 0.000 0.444 529 c N -0.581 118.215 118.600 0.326 0.000 2.419 529 c HA 0.052 4.622 4.570 0.000 0.000 0.281 529 c C 3.217 177.443 174.090 0.227 0.000 1.336 529 c CA 0.571 57.087 56.329 0.312 0.000 1.770 529 c CB -1.436 41.193 42.510 0.198 0.000 1.929 529 c HN 0.685 nan 8.230 nan 0.000 0.509 530 A N 0.409 123.330 122.820 0.168 0.000 1.883 530 A HA -0.241 4.079 4.320 0.000 0.000 0.217 530 A C 1.927 179.570 177.584 0.098 0.000 1.186 530 A CA 1.976 54.082 52.037 0.115 0.000 0.624 530 A CB -0.910 18.147 19.000 0.095 0.000 0.822 530 A HN 0.583 nan 8.150 nan 0.000 0.444 531 F N -1.096 118.804 119.950 -0.083 0.000 2.102 531 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 531 F C 1.980 177.686 175.800 -0.157 0.000 1.105 531 F CA 1.887 59.736 58.000 -0.252 0.000 1.239 531 F CB -0.382 38.139 39.000 -0.798 0.000 0.991 531 F HN 0.376 nan 8.300 nan 0.000 0.474 532 W N 0.611 121.907 121.300 -0.008 0.000 2.443 532 W HA -0.070 4.590 4.660 0.000 0.000 0.296 532 W C 2.262 178.707 176.519 -0.123 0.000 1.202 532 W CA 0.834 58.135 57.345 -0.074 0.000 1.312 532 W CB -0.519 29.044 29.460 0.171 0.000 1.120 532 W HN -0.071 nan 8.180 nan 0.000 0.536 533 N N -0.114 118.694 118.700 0.181 0.000 2.333 533 N HA 0.006 4.746 4.740 0.000 0.000 0.178 533 N C 1.503 177.023 175.510 0.016 0.000 1.018 533 N CA 1.062 54.160 53.050 0.080 0.000 0.882 533 N CB -0.248 38.289 38.487 0.083 0.000 0.984 533 N HN 0.234 nan 8.380 nan 0.000 0.434 534 R N -0.834 119.672 120.500 0.010 0.000 2.076 534 R HA 0.214 4.554 4.340 0.000 0.000 0.203 534 R C 1.729 178.031 176.300 0.003 0.000 1.229 534 R CA 0.034 56.145 56.100 0.019 0.000 1.094 534 R CB -0.543 29.790 30.300 0.055 0.000 0.991 534 R HN 0.021 nan 8.270 nan 0.000 0.471 535 F N 1.837 121.677 119.950 -0.184 0.000 2.146 535 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 535 F C 1.925 177.552 175.800 -0.289 0.000 1.096 535 F CA 1.092 58.966 58.000 -0.211 0.000 1.275 535 F CB -0.215 38.662 39.000 -0.204 0.000 1.008 535 F HN -0.058 nan 8.300 nan 0.000 0.480 536 L N 1.147 121.998 121.223 -0.621 0.000 2.046 536 L HA -0.090 4.250 4.340 0.000 0.000 0.208 536 L C -0.661 175.942 176.870 -0.446 0.000 1.077 536 L CA 1.975 56.383 54.840 -0.720 0.000 0.747 536 L CB -2.200 39.430 42.059 -0.716 0.000 0.896 536 L HN 0.074 nan 8.230 nan 0.000 0.432 537 P HA -0.145 nan 4.420 nan 0.000 0.218 537 P C 1.412 178.584 177.300 -0.214 0.000 1.149 537 P CA 1.413 64.400 63.100 -0.189 0.000 0.817 537 P CB -0.026 31.604 31.700 -0.118 0.000 0.785 538 K N -0.574 119.665 120.400 -0.267 0.000 2.097 538 K HA -0.078 4.242 4.320 0.000 0.000 0.205 538 K C 2.053 178.486 176.600 -0.279 0.000 1.050 538 K CA 0.956 57.109 56.287 -0.224 0.000 0.938 538 K CB -0.709 31.684 32.500 -0.178 0.000 0.718 538 K HN 0.185 nan 8.250 nan 0.000 0.442 539 L N 1.074 122.017 121.223 -0.467 0.000 2.179 539 L HA -0.050 4.290 4.340 0.000 0.000 0.208 539 L C 1.908 178.637 176.870 -0.234 0.000 1.096 539 L CA 0.718 55.310 54.840 -0.412 0.000 0.779 539 L CB 0.043 41.711 42.059 -0.653 0.000 0.922 539 L HN 0.126 nan 8.230 nan 0.000 0.443 540 L N -0.511 120.584 121.223 -0.213 0.000 2.156 540 L HA -0.096 4.244 4.340 0.000 0.000 0.208 540 L C 2.315 179.127 176.870 -0.097 0.000 1.095 540 L CA 1.390 56.154 54.840 -0.128 0.000 0.770 540 L CB -0.551 41.445 42.059 -0.105 0.000 0.914 540 L HN 0.450 nan 8.230 nan 0.000 0.439 541 S N -1.295 114.343 115.700 -0.103 0.000 2.577 541 S HA 0.259 4.729 4.470 0.000 0.000 0.219 541 S C 1.507 176.067 174.600 -0.066 0.000 0.962 541 S CA 0.206 58.361 58.200 -0.074 0.000 0.921 541 S CB 0.597 63.758 63.200 -0.066 0.000 0.789 541 S HN 0.248 nan 8.310 nan 0.000 0.497 542 A N 1.726 124.499 122.820 -0.078 0.000 2.063 542 A HA 0.354 4.674 4.320 0.000 0.000 0.211 542 A C 1.445 179.003 177.584 -0.045 0.000 1.177 542 A CA 0.865 52.868 52.037 -0.057 0.000 0.759 542 A CB -0.369 18.595 19.000 -0.059 0.000 0.857 542 A HN 0.641 nan 8.150 nan 0.000 0.468 543 T N 0.000 114.523 114.554 -0.051 0.000 3.816 543 T HA 0.000 4.350 4.350 0.000 0.000 0.228 543 T CA 0.000 62.078 62.100 -0.036 0.000 1.349 543 T CB 0.000 68.847 68.868 -0.035 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658