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 1b7z_1_A DATA FIRST_RESID 1 DATA SEQUENCE APRKSVRWcT ISPAEAAKcA KFQRNMKKVR GPSVScIRKT SSFEcIQAIA DATA SEQUENCE ANKADAVTLD GGLVYEAGLH PYKLRPVAAE VYQTRGKPQT RYYAVAVVKK DATA SEQUENCE GSGFQLNQLQ GVKScHTGLG RSAGWNIPIG TLRPYLNWTG PPEPLQKAVA DATA SEQUENCE NFFSAScVPc ADGKQYPNLc RLcAGTEADK cAcSSQEPYF GYSGAFKcLE DATA SEQUENCE NGAGDVAFVK DSTVFENLPD EAERDKYELL cPDNTRKPVD AFKEcHLARV DATA SEQUENCE PSHAVVARSV DGREDLIWKL LHRAQEEFGR NKSSAFQLFG STPGEQDLLF DATA SEQUENCE KDSALGFVRI PSQIDSGLYL GANYLTATQN LRETAAEVAA RRERVVWcAV DATA SEQUENCE GPEEERKcKQ WSDVSNRKVA cASASTTEEc IALVLKGEAD ALNLDGGFIY DATA SEQUENCE VAGKcGLVPV LAENQKSQNS NAPDcVHRPP EGYLAVAVVR KSDADLTWNS DATA SEQUENCE LSGKKScHTG VGRTAAWNIP MGLLFNQTGS cKFDKFFSQS cAPGADPQSS DATA SEQUENCE LcALcVGNNE NENKcMPNSE ERYYGYTGAF RcLAEKAGDV AFVKDVTVLQ DATA SEQUENCE NTDGKNSEPW AKDLKQEDFE LLcLDGTRKP VAEAEScHLA RAPNHAVVSQ DATA SEQUENCE SDRAQHLKKV LFLQQDQFGG NGPDcPGKFc LFKSETKNLL FNDNTEcLAE DATA SEQUENCE LQGKTTYEQY LGSEYVTSIT NLRRcSSSPL LEAcAFLRA 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.582 177.584 -0.004 0.000 1.274 1 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 1 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 2 P HA 0.706 nan 4.420 nan 0.000 0.277 2 P C -0.554 176.744 177.300 -0.003 0.000 1.240 2 P CA 0.013 63.110 63.100 -0.004 0.000 0.798 2 P CB 0.710 32.406 31.700 -0.005 0.000 0.979 3 R N 1.468 121.967 120.500 -0.002 0.000 2.451 3 R HA 0.330 4.670 4.340 -0.001 0.000 0.307 3 R C 0.052 176.353 176.300 0.001 0.000 0.965 3 R CA -0.833 55.267 56.100 0.001 0.000 0.865 3 R CB 0.731 31.033 30.300 0.003 0.000 1.174 3 R HN 0.204 nan 8.270 nan 0.000 0.455 4 K N 1.041 121.442 120.400 0.002 0.000 2.170 4 K HA -0.044 4.275 4.320 -0.001 0.000 0.250 4 K C -0.467 176.136 176.600 0.006 0.000 1.055 4 K CA 0.749 57.037 56.287 0.003 0.000 0.774 4 K CB 0.110 32.612 32.500 0.004 0.000 1.051 4 K HN 0.711 nan 8.250 nan 0.000 0.539 5 S N -1.076 114.628 115.700 0.007 0.000 2.549 5 S HA 0.493 4.963 4.470 -0.001 0.000 0.297 5 S C -0.567 174.054 174.600 0.036 0.000 1.115 5 S CA -1.060 57.148 58.200 0.013 0.000 1.059 5 S CB 1.552 64.753 63.200 0.001 0.000 1.046 5 S HN 0.199 nan 8.310 nan 0.000 0.506 6 V N 3.032 122.985 119.914 0.065 0.000 2.530 6 V HA 0.328 4.448 4.120 -0.001 0.000 0.282 6 V C 0.501 176.674 176.094 0.132 0.000 1.048 6 V CA -0.420 61.946 62.300 0.111 0.000 0.997 6 V CB 0.472 32.417 31.823 0.204 0.000 0.987 6 V HN 0.840 nan 8.190 nan 0.000 0.477 7 R N 4.637 125.193 120.500 0.094 0.000 2.198 7 R HA 0.227 4.567 4.340 -0.001 0.000 0.339 7 R C -0.497 175.876 176.300 0.121 0.000 1.020 7 R CA -0.294 55.863 56.100 0.095 0.000 0.864 7 R CB 0.916 31.238 30.300 0.037 0.000 1.105 7 R HN 0.724 nan 8.270 nan 0.000 0.463 8 W N 4.282 125.606 121.300 0.040 0.000 2.316 8 W HA 0.249 4.908 4.660 -0.002 0.000 0.321 8 W C -0.457 176.079 176.519 0.028 0.000 1.203 8 W CA -0.843 56.538 57.345 0.060 0.000 1.214 8 W CB 1.505 31.034 29.460 0.115 0.000 1.169 8 W HN 0.432 nan 8.180 nan 0.000 0.561 9 c N 5.554 124.083 118.600 -0.119 0.000 2.319 9 c HA 0.633 5.203 4.570 -0.001 0.000 0.335 9 c C 0.524 174.685 174.090 0.119 0.000 1.274 9 c CA 0.012 56.336 56.329 -0.009 0.000 1.806 9 c CB 0.023 42.466 42.510 -0.111 0.000 2.329 9 c HN 0.623 nan 8.230 nan 0.000 0.524 10 T N 3.355 117.970 114.554 0.103 0.000 2.912 10 T HA 0.509 4.859 4.350 -0.001 0.000 0.288 10 T C 0.634 175.350 174.700 0.026 0.000 1.030 10 T CA -0.698 61.455 62.100 0.089 0.000 1.020 10 T CB 1.303 70.221 68.868 0.084 0.000 1.056 10 T HN 0.773 nan 8.240 nan 0.000 0.480 11 I N -1.078 119.494 120.570 0.002 0.000 4.070 11 I HA 0.365 4.535 4.170 -0.001 0.000 0.328 11 I C 0.340 176.417 176.117 -0.065 0.000 1.298 11 I CA -0.498 60.780 61.300 -0.038 0.000 1.173 11 I CB 0.246 38.209 38.000 -0.062 0.000 1.051 11 I HN 0.711 nan 8.210 nan 0.000 0.409 12 S N -0.817 114.850 115.700 -0.054 0.000 2.588 12 S HA 0.533 5.002 4.470 -0.001 0.000 0.269 12 S C -2.534 172.044 174.600 -0.037 0.000 1.157 12 S CA -0.923 57.239 58.200 -0.064 0.000 0.824 12 S CB 1.691 64.825 63.200 -0.109 0.000 1.126 12 S HN -0.248 nan 8.310 nan 0.000 0.464 13 P HA -0.195 nan 4.420 nan 0.000 0.212 13 P C 1.828 179.119 177.300 -0.016 0.000 1.174 13 P CA 2.954 66.041 63.100 -0.021 0.000 0.934 13 P CB -0.325 31.361 31.700 -0.023 0.000 0.791 14 A N -0.464 122.345 122.820 -0.018 0.000 1.915 14 A HA -0.355 3.965 4.320 -0.001 0.000 0.220 14 A C 2.324 179.907 177.584 -0.002 0.000 1.198 14 A CA 2.500 54.532 52.037 -0.008 0.000 0.647 14 A CB -1.586 17.411 19.000 -0.006 0.000 0.825 14 A HN 0.287 nan 8.150 nan 0.000 0.456 15 E N -0.620 119.577 120.200 -0.005 0.000 2.077 15 E HA -0.081 4.269 4.350 -0.001 0.000 0.193 15 E C 2.203 178.810 176.600 0.012 0.000 0.989 15 E CA 0.950 57.352 56.400 0.003 0.000 0.800 15 E CB -0.274 29.428 29.700 0.004 0.000 0.746 15 E HN 0.584 nan 8.360 nan 0.000 0.452 16 A N 1.330 124.157 122.820 0.010 0.000 1.883 16 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 16 A C 2.412 180.000 177.584 0.005 0.000 1.186 16 A CA 2.022 54.069 52.037 0.017 0.000 0.624 16 A CB -0.970 18.035 19.000 0.008 0.000 0.822 16 A HN 0.422 nan 8.150 nan 0.000 0.444 17 A N 0.021 122.838 122.820 -0.004 0.000 1.859 17 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 17 A C 2.157 179.732 177.584 -0.015 0.000 1.198 17 A CA 2.391 54.420 52.037 -0.013 0.000 0.629 17 A CB -0.639 18.355 19.000 -0.010 0.000 0.830 17 A HN 0.601 nan 8.150 nan 0.000 0.446 18 K N -0.739 119.663 120.400 0.004 0.000 2.103 18 K HA -0.218 4.102 4.320 -0.001 0.000 0.207 18 K C 2.095 178.703 176.600 0.014 0.000 1.048 18 K CA 1.723 58.026 56.287 0.026 0.000 0.930 18 K CB -0.606 31.922 32.500 0.047 0.000 0.716 18 K HN 0.519 nan 8.250 nan 0.000 0.444 19 c N 0.439 119.048 118.600 0.015 0.000 2.425 19 c HA 0.005 4.575 4.570 -0.001 0.000 0.277 19 c C 2.787 176.880 174.090 0.006 0.000 1.280 19 c CA 1.132 57.489 56.329 0.046 0.000 1.744 19 c CB -1.073 41.475 42.510 0.065 0.000 1.989 19 c HN 0.636 nan 8.230 nan 0.000 0.491 20 A N -0.214 122.582 122.820 -0.040 0.000 1.898 20 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 20 A C 2.177 179.656 177.584 -0.175 0.000 1.181 20 A CA 1.906 53.889 52.037 -0.089 0.000 0.620 20 A CB -0.641 18.319 19.000 -0.066 0.000 0.819 20 A HN 0.689 nan 8.150 nan 0.000 0.442 21 K N -1.352 118.926 120.400 -0.203 0.000 2.063 21 K HA -0.162 4.157 4.320 -0.001 0.000 0.208 21 K C 1.700 177.874 176.600 -0.710 0.000 1.048 21 K CA 1.700 57.761 56.287 -0.376 0.000 0.928 21 K CB -0.377 31.945 32.500 -0.297 0.000 0.713 21 K HN 0.405 nan 8.250 nan 0.000 0.442 22 F N 2.039 121.460 119.950 -0.881 0.000 2.095 22 F HA -0.231 4.295 4.527 -0.002 0.000 0.298 22 F C 2.360 177.865 175.800 -0.492 0.000 1.104 22 F CA 1.954 59.412 58.000 -0.903 0.000 1.232 22 F CB -0.875 37.917 39.000 -0.347 0.000 0.987 22 F HN 0.191 nan 8.300 nan 0.000 0.475 23 Q N 0.400 119.927 119.800 -0.456 0.000 2.061 23 Q HA -0.244 4.095 4.340 -0.001 0.000 0.204 23 Q C 2.539 178.349 176.000 -0.318 0.000 0.984 23 Q CA 1.789 57.340 55.803 -0.420 0.000 0.846 23 Q CB -0.369 28.225 28.738 -0.240 0.000 0.902 23 Q HN 0.462 nan 8.270 nan 0.000 0.421 24 R N 0.157 120.489 120.500 -0.281 0.000 2.177 24 R HA -0.207 4.132 4.340 -0.001 0.000 0.221 24 R C 1.815 177.984 176.300 -0.217 0.000 1.110 24 R CA 2.309 58.278 56.100 -0.219 0.000 0.875 24 R CB -0.540 29.628 30.300 -0.219 0.000 0.810 24 R HN 0.359 nan 8.270 nan 0.000 0.437 25 N N 0.157 118.676 118.700 -0.303 0.000 2.242 25 N HA -0.233 4.507 4.740 -0.001 0.000 0.191 25 N C 1.519 177.041 175.510 0.020 0.000 1.005 25 N CA 1.878 54.814 53.050 -0.190 0.000 0.877 25 N CB -0.234 38.002 38.487 -0.419 0.000 0.983 25 N HN 0.260 nan 8.380 nan 0.000 0.439 26 M N 1.093 120.643 119.600 -0.083 0.000 2.077 26 M HA -0.092 4.388 4.480 -0.001 0.000 0.261 26 M C 1.953 178.254 176.300 0.002 0.000 1.070 26 M CA 1.503 56.818 55.300 0.025 0.000 1.125 26 M CB -0.324 32.125 32.600 -0.251 0.000 1.339 26 M HN -0.001 nan 8.290 nan 0.000 0.409 27 K N 0.330 120.689 120.400 -0.068 0.000 2.147 27 K HA -0.229 4.091 4.320 -0.001 0.000 0.205 27 K C 1.920 178.513 176.600 -0.012 0.000 1.049 27 K CA 1.708 57.967 56.287 -0.047 0.000 0.936 27 K CB -0.646 31.814 32.500 -0.067 0.000 0.722 27 K HN 0.485 nan 8.250 nan 0.000 0.446 28 K N 0.874 121.275 120.400 0.002 0.000 2.280 28 K HA -0.037 4.282 4.320 -0.001 0.000 0.202 28 K C 1.167 177.799 176.600 0.052 0.000 1.047 28 K CA 0.976 57.278 56.287 0.024 0.000 0.942 28 K CB 0.244 32.762 32.500 0.029 0.000 0.739 28 K HN 0.034 nan 8.250 nan 0.000 0.457 29 V N 1.324 121.287 119.914 0.081 0.000 3.444 29 V HA 0.112 4.232 4.120 -0.001 0.000 0.308 29 V C -0.194 175.912 176.094 0.020 0.000 1.371 29 V CA -0.160 62.180 62.300 0.065 0.000 1.141 29 V CB -0.731 31.156 31.823 0.106 0.000 1.037 29 V HN 0.359 nan 8.190 nan 0.000 0.433 30 R N 1.045 121.552 120.500 0.011 0.000 3.158 30 R HA -0.181 4.158 4.340 -0.001 0.000 0.244 30 R C 0.627 176.920 176.300 -0.011 0.000 0.900 30 R CA 0.729 56.825 56.100 -0.005 0.000 0.618 30 R CB -1.413 28.883 30.300 -0.007 0.000 1.061 30 R HN 0.645 nan 8.270 nan 0.000 0.471 31 G N 0.182 108.976 108.800 -0.010 0.000 3.013 31 G HA2 0.669 4.628 3.960 -0.001 0.000 0.278 31 G HA3 0.669 4.628 3.960 -0.001 0.000 0.278 31 G C -2.593 172.289 174.900 -0.029 0.000 1.353 31 G CA -1.492 43.598 45.100 -0.017 0.000 1.043 31 G HN -0.029 nan 8.290 nan 0.000 0.523 32 P HA 0.141 nan 4.420 nan 0.000 0.261 32 P C 0.260 177.516 177.300 -0.073 0.000 1.183 32 P CA 0.019 63.096 63.100 -0.038 0.000 0.761 32 P CB 0.651 32.338 31.700 -0.023 0.000 0.785 33 S N 2.073 117.734 115.700 -0.065 0.000 2.576 33 S HA 0.438 4.907 4.470 -0.001 0.000 0.276 33 S C 0.120 174.664 174.600 -0.094 0.000 1.339 33 S CA -0.630 57.516 58.200 -0.091 0.000 1.039 33 S CB 0.441 63.605 63.200 -0.060 0.000 0.902 33 S HN 0.191 nan 8.310 nan 0.000 0.516 34 V N 0.803 120.628 119.914 -0.149 0.000 3.113 34 V HA 0.873 4.993 4.120 -0.001 0.000 0.316 34 V C 0.160 176.222 176.094 -0.055 0.000 1.125 34 V CA -0.931 61.305 62.300 -0.106 0.000 1.026 34 V CB 1.772 33.431 31.823 -0.275 0.000 1.080 34 V HN 0.993 nan 8.190 nan 0.000 0.444 35 S N -0.436 115.281 115.700 0.028 0.000 2.569 35 S HA 0.655 5.125 4.470 -0.001 0.000 0.280 35 S C -1.277 173.380 174.600 0.095 0.000 1.111 35 S CA -0.368 57.852 58.200 0.033 0.000 0.887 35 S CB 1.574 64.795 63.200 0.035 0.000 1.095 35 S HN 0.864 nan 8.310 nan 0.000 0.476 36 c N 4.937 123.581 118.600 0.072 0.000 2.344 36 c HA 0.599 5.168 4.570 -0.001 0.000 0.326 36 c C -0.175 173.962 174.090 0.078 0.000 1.201 36 c CA -1.049 55.348 56.329 0.113 0.000 1.410 36 c CB -0.590 41.970 42.510 0.083 0.000 2.070 36 c HN 0.700 nan 8.230 nan 0.000 0.445 37 I N 2.512 123.134 120.570 0.086 0.000 2.934 37 I HA 0.541 4.710 4.170 -0.001 0.000 0.315 37 I C 0.512 176.655 176.117 0.045 0.000 0.997 37 I CA -0.316 61.013 61.300 0.047 0.000 1.184 37 I CB 0.587 38.605 38.000 0.029 0.000 1.400 37 I HN 0.529 nan 8.210 nan 0.000 0.549 38 R N 2.697 123.211 120.500 0.025 0.000 2.500 38 R HA 0.416 4.756 4.340 -0.001 0.000 0.299 38 R C -0.764 175.541 176.300 0.008 0.000 1.038 38 R CA -0.777 55.333 56.100 0.018 0.000 0.903 38 R CB 2.179 32.486 30.300 0.012 0.000 1.177 38 R HN 0.497 nan 8.270 nan 0.000 0.455 39 K N 0.384 120.786 120.400 0.004 0.000 2.331 39 K HA 0.395 4.715 4.320 -0.001 0.000 0.238 39 K C 0.830 177.425 176.600 -0.008 0.000 1.058 39 K CA -0.577 55.711 56.287 0.001 0.000 0.871 39 K CB 1.635 34.135 32.500 0.000 0.000 1.292 39 K HN 0.535 nan 8.250 nan 0.000 0.470 40 T N -2.679 111.871 114.554 -0.006 0.000 3.134 40 T HA 0.208 4.557 4.350 -0.001 0.000 0.260 40 T C 0.236 174.922 174.700 -0.023 0.000 1.027 40 T CA -0.289 61.799 62.100 -0.020 0.000 0.913 40 T CB -0.403 68.456 68.868 -0.014 0.000 1.046 40 T HN 0.522 nan 8.240 nan 0.000 0.553 41 S N -1.204 114.491 115.700 -0.009 0.000 2.614 41 S HA 0.380 4.849 4.470 -0.001 0.000 0.280 41 S C 0.438 175.019 174.600 -0.031 0.000 1.111 41 S CA -0.418 57.780 58.200 -0.002 0.000 0.847 41 S CB 0.961 64.224 63.200 0.104 0.000 1.079 41 S HN -0.072 nan 8.310 nan 0.000 0.452 42 S N 0.508 116.142 115.700 -0.109 0.000 2.383 42 S HA -0.003 4.467 4.470 -0.001 0.000 0.229 42 S C 1.237 175.713 174.600 -0.207 0.000 1.030 42 S CA 1.636 59.729 58.200 -0.179 0.000 1.002 42 S CB -0.752 62.304 63.200 -0.240 0.000 0.829 42 S HN 0.608 nan 8.310 nan 0.000 0.467 43 F N 1.694 121.624 119.950 -0.034 0.000 2.202 43 F HA -0.072 4.454 4.527 -0.001 0.000 0.301 43 F C 2.417 178.163 175.800 -0.089 0.000 1.082 43 F CA 0.865 58.820 58.000 -0.075 0.000 1.313 43 F CB -0.491 38.483 39.000 -0.044 0.000 1.024 43 F HN 0.247 nan 8.300 nan 0.000 0.495 44 E N -0.942 119.323 120.200 0.107 0.000 2.152 44 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 44 E C 2.232 178.832 176.600 -0.001 0.000 0.983 44 E CA 1.026 57.458 56.400 0.053 0.000 0.818 44 E CB -0.140 29.589 29.700 0.048 0.000 0.758 44 E HN 0.356 nan 8.360 nan 0.000 0.467 45 c N 0.320 118.898 118.600 -0.037 0.000 2.440 45 c HA -0.053 4.517 4.570 -0.001 0.000 0.278 45 c C 2.460 176.496 174.090 -0.090 0.000 1.295 45 c CA 0.162 56.452 56.329 -0.065 0.000 1.738 45 c CB -0.704 41.752 42.510 -0.088 0.000 1.987 45 c HN 0.454 nan 8.230 nan 0.000 0.492 46 I N 0.768 121.257 120.570 -0.134 0.000 2.151 46 I HA -0.331 3.839 4.170 -0.001 0.000 0.243 46 I C 2.691 178.711 176.117 -0.163 0.000 1.080 46 I CA 1.747 62.921 61.300 -0.211 0.000 1.339 46 I CB -0.618 37.151 38.000 -0.384 0.000 1.039 46 I HN 0.505 nan 8.210 nan 0.000 0.409 47 Q N 0.505 120.237 119.800 -0.114 0.000 2.020 47 Q HA -0.205 4.134 4.340 -0.001 0.000 0.202 47 Q C 2.479 178.527 176.000 0.080 0.000 0.982 47 Q CA 1.839 57.699 55.803 0.095 0.000 0.838 47 Q CB -0.369 28.445 28.738 0.127 0.000 0.899 47 Q HN 0.586 nan 8.270 nan 0.000 0.423 48 A N 0.838 123.672 122.820 0.023 0.000 1.940 48 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 48 A C 2.028 179.611 177.584 -0.002 0.000 1.176 48 A CA 1.236 53.279 52.037 0.010 0.000 0.631 48 A CB -0.620 18.375 19.000 -0.008 0.000 0.814 48 A HN 0.326 nan 8.150 nan 0.000 0.446 49 I N -0.756 119.801 120.570 -0.022 0.000 2.286 49 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 49 I C 2.949 179.068 176.117 0.003 0.000 1.104 49 I CA 0.919 62.198 61.300 -0.034 0.000 1.397 49 I CB -0.331 37.625 38.000 -0.073 0.000 1.072 49 I HN 0.367 nan 8.210 nan 0.000 0.417 50 A N 0.699 123.551 122.820 0.053 0.000 1.933 50 A HA -0.063 4.257 4.320 -0.001 0.000 0.218 50 A C 2.160 179.774 177.584 0.049 0.000 1.175 50 A CA 1.622 53.712 52.037 0.088 0.000 0.628 50 A CB -0.569 18.582 19.000 0.252 0.000 0.814 50 A HN 0.411 nan 8.150 nan 0.000 0.444 51 A N -1.124 121.727 122.820 0.052 0.000 2.359 51 A HA 0.337 4.657 4.320 -0.001 0.000 0.240 51 A C 0.677 178.269 177.584 0.013 0.000 1.306 51 A CA 0.387 52.441 52.037 0.029 0.000 0.898 51 A CB -1.219 17.804 19.000 0.039 0.000 0.956 51 A HN 0.693 nan 8.150 nan 0.000 0.497 52 N N -1.409 117.294 118.700 0.006 0.000 2.727 52 N HA -0.194 4.545 4.740 -0.001 0.000 0.249 52 N C 1.047 176.555 175.510 -0.002 0.000 1.048 52 N CA 1.054 54.103 53.050 -0.003 0.000 0.714 52 N CB -0.184 38.301 38.487 -0.004 0.000 0.959 52 N HN 0.421 nan 8.380 nan 0.000 0.544 53 K N -0.666 119.733 120.400 -0.002 0.000 2.365 53 K HA 0.360 4.679 4.320 -0.001 0.000 0.195 53 K C 0.382 176.976 176.600 -0.009 0.000 1.079 53 K CA 1.173 57.459 56.287 -0.002 0.000 0.979 53 K CB 0.592 33.094 32.500 0.004 0.000 0.929 53 K HN 0.356 nan 8.250 nan 0.000 0.523 54 A N 0.144 122.950 122.820 -0.023 0.000 2.486 54 A HA 0.557 4.877 4.320 -0.001 0.000 0.277 54 A C -0.514 177.033 177.584 -0.062 0.000 1.282 54 A CA -0.405 51.606 52.037 -0.043 0.000 0.784 54 A CB 0.905 19.865 19.000 -0.067 0.000 1.350 54 A HN 0.101 nan 8.150 nan 0.000 0.454 55 D N -1.573 118.764 120.400 -0.106 0.000 2.267 55 D HA 0.404 5.043 4.640 -0.001 0.000 0.297 55 D C 0.253 176.436 176.300 -0.195 0.000 1.087 55 D CA 1.086 55.021 54.000 -0.108 0.000 0.864 55 D CB 1.174 41.941 40.800 -0.055 0.000 1.557 55 D HN 0.767 nan 8.370 nan 0.000 0.523 56 A N 0.743 123.342 122.820 -0.369 0.000 2.593 56 A HA 0.769 5.089 4.320 -0.001 0.000 0.290 56 A C -1.346 175.715 177.584 -0.871 0.000 1.126 56 A CA -0.583 51.091 52.037 -0.605 0.000 0.695 56 A CB 1.960 20.479 19.000 -0.800 0.000 1.290 56 A HN 0.048 nan 8.150 nan 0.000 0.414 57 V N -2.253 117.217 119.914 -0.740 0.000 3.088 57 V HA 0.559 4.679 4.120 -0.001 0.000 0.272 57 V C -0.484 175.546 176.094 -0.106 0.000 1.611 57 V CA -0.811 61.208 62.300 -0.469 0.000 0.990 57 V CB 0.960 32.642 31.823 -0.235 0.000 1.234 57 V HN 1.000 nan 8.190 nan 0.000 0.453 58 T N 4.077 118.714 114.554 0.138 0.000 2.882 58 T HA 0.819 5.169 4.350 -0.001 0.000 0.287 58 T C -0.388 174.426 174.700 0.191 0.000 0.992 58 T CA -0.298 61.983 62.100 0.302 0.000 1.076 58 T CB 1.045 70.182 68.868 0.448 0.000 0.961 58 T HN 0.590 nan 8.240 nan 0.000 0.490 59 L N 1.706 123.038 121.223 0.182 0.000 2.393 59 L HA 0.490 4.830 4.340 -0.001 0.000 0.260 59 L C -0.408 176.432 176.870 -0.050 0.000 1.002 59 L CA -1.177 53.698 54.840 0.058 0.000 0.818 59 L CB 2.523 44.586 42.059 0.007 0.000 1.369 59 L HN 0.631 nan 8.230 nan 0.000 0.412 60 D N 0.249 120.491 120.400 -0.264 0.000 2.304 60 D HA 0.288 4.928 4.640 -0.001 0.000 0.247 60 D C 1.277 177.482 176.300 -0.157 0.000 1.089 60 D CA 0.362 54.010 54.000 -0.587 0.000 0.910 60 D CB 1.958 42.489 40.800 -0.448 0.000 1.199 60 D HN 0.595 nan 8.370 nan 0.000 0.426 61 G N 2.612 111.359 108.800 -0.088 0.000 2.703 61 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.222 61 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.222 61 G C 1.436 176.341 174.900 0.008 0.000 1.183 61 G CA 1.099 46.131 45.100 -0.113 0.000 0.775 61 G HN 0.686 nan 8.290 nan 0.000 0.615 62 G N 0.510 109.395 108.800 0.141 0.000 2.469 62 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.220 62 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.220 62 G C 1.778 176.812 174.900 0.224 0.000 1.136 62 G CA 0.984 46.239 45.100 0.258 0.000 0.759 62 G HN 0.476 nan 8.290 nan 0.000 0.562 63 L N 0.035 121.317 121.223 0.098 0.000 2.341 63 L HA 0.065 4.404 4.340 -0.001 0.000 0.214 63 L C 2.838 179.765 176.870 0.095 0.000 1.115 63 L CA -0.142 54.734 54.840 0.060 0.000 0.820 63 L CB -0.221 41.767 42.059 -0.119 0.000 0.944 63 L HN 0.060 nan 8.230 nan 0.000 0.452 64 V N -0.292 119.689 119.914 0.112 0.000 2.287 64 V HA -0.353 3.766 4.120 -0.001 0.000 0.248 64 V C 2.282 178.477 176.094 0.170 0.000 1.053 64 V CA 2.027 64.403 62.300 0.127 0.000 1.027 64 V CB -0.525 31.407 31.823 0.181 0.000 0.646 64 V HN 0.414 nan 8.190 nan 0.000 0.447 65 Y N 1.435 121.801 120.300 0.111 0.000 2.014 65 Y HA -0.301 4.248 4.550 -0.001 0.000 0.270 65 Y C 2.706 178.688 175.900 0.138 0.000 1.145 65 Y CA 2.344 60.531 58.100 0.145 0.000 1.106 65 Y CB -0.375 38.207 38.460 0.203 0.000 0.968 65 Y HN 0.258 nan 8.280 nan 0.000 0.484 66 E N 0.407 120.803 120.200 0.327 0.000 2.147 66 E HA -0.304 4.046 4.350 -0.001 0.000 0.199 66 E C 2.340 178.990 176.600 0.084 0.000 1.005 66 E CA 1.344 57.871 56.400 0.212 0.000 0.810 66 E CB -0.892 28.980 29.700 0.287 0.000 0.736 66 E HN 0.629 nan 8.360 nan 0.000 0.460 67 A N 0.919 123.762 122.820 0.039 0.000 1.930 67 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 67 A C 2.408 180.023 177.584 0.052 0.000 1.175 67 A CA 1.662 53.690 52.037 -0.014 0.000 0.627 67 A CB -0.749 18.230 19.000 -0.035 0.000 0.815 67 A HN 0.323 nan 8.150 nan 0.000 0.443 68 G N -0.875 107.935 108.800 0.017 0.000 2.920 68 G HA2 0.312 4.272 3.960 -0.001 0.000 0.208 68 G HA3 0.312 4.272 3.960 -0.001 0.000 0.208 68 G C 0.569 175.460 174.900 -0.014 0.000 1.159 68 G CA -0.269 44.831 45.100 -0.000 0.000 0.784 68 G HN 0.398 nan 8.290 nan 0.000 0.535 69 L N -0.272 120.955 121.223 0.008 0.000 2.464 69 L HA 0.137 4.477 4.340 -0.001 0.000 0.264 69 L C 2.066 178.981 176.870 0.075 0.000 1.199 69 L CA -0.880 53.974 54.840 0.023 0.000 0.818 69 L CB 0.483 42.569 42.059 0.046 0.000 1.102 69 L HN 0.214 nan 8.230 nan 0.000 0.473 70 H N 3.679 122.742 119.070 -0.011 0.000 2.352 70 H HA -0.221 4.334 4.556 -0.000 0.000 0.251 70 H C -0.907 174.355 175.328 -0.111 0.000 1.093 70 H CA 3.152 59.172 56.048 -0.046 0.000 1.340 70 H CB -1.417 28.314 29.762 -0.052 0.000 1.675 70 H HN 0.532 nan 8.280 nan 0.000 0.754 71 P HA -0.221 nan 4.420 nan 0.000 0.219 71 P C 1.020 177.912 177.300 -0.680 0.000 1.151 71 P CA 2.188 64.903 63.100 -0.641 0.000 0.850 71 P CB -0.457 30.869 31.700 -0.623 0.000 0.784 72 Y N -1.039 119.177 120.300 -0.139 0.000 2.314 72 Y HA 0.215 4.766 4.550 0.001 0.000 0.294 72 Y C 1.368 177.200 175.900 -0.113 0.000 1.139 72 Y CA -0.051 57.992 58.100 -0.095 0.000 1.162 72 Y CB -0.694 37.742 38.460 -0.041 0.000 1.121 72 Y HN -0.281 nan 8.280 nan 0.000 0.529 73 K N 1.269 121.695 120.400 0.043 0.000 3.257 73 K HA -0.174 4.145 4.320 -0.001 0.000 0.270 73 K C -0.575 176.029 176.600 0.006 0.000 0.984 73 K CA 0.333 56.611 56.287 -0.014 0.000 0.739 73 K CB -1.721 30.726 32.500 -0.089 0.000 1.351 73 K HN 0.350 nan 8.250 nan 0.000 0.463 74 L N 0.306 121.547 121.223 0.030 0.000 2.488 74 L HA 0.441 4.781 4.340 -0.001 0.000 0.249 74 L C 0.948 177.809 176.870 -0.016 0.000 1.151 74 L CA -0.534 54.306 54.840 -0.000 0.000 0.806 74 L CB 0.724 42.778 42.059 -0.008 0.000 1.261 74 L HN 0.344 nan 8.230 nan 0.000 0.484 75 R N 0.315 120.793 120.500 -0.037 0.000 2.626 75 R HA 0.459 4.799 4.340 -0.001 0.000 0.274 75 R C -2.980 173.268 176.300 -0.086 0.000 1.031 75 R CA -1.594 54.476 56.100 -0.051 0.000 0.898 75 R CB 1.585 31.853 30.300 -0.054 0.000 1.222 75 R HN 0.185 nan 8.270 nan 0.000 0.455 76 P HA 0.018 nan 4.420 nan 0.000 0.276 76 P C 0.235 177.396 177.300 -0.232 0.000 1.264 76 P CA -0.362 62.605 63.100 -0.221 0.000 0.769 76 P CB 1.467 32.877 31.700 -0.482 0.000 0.840 77 V N 3.045 122.867 119.914 -0.153 0.000 2.500 77 V HA 0.171 4.291 4.120 -0.001 0.000 0.243 77 V C 1.188 177.185 176.094 -0.161 0.000 1.039 77 V CA 1.704 63.919 62.300 -0.142 0.000 1.053 77 V CB -0.620 31.168 31.823 -0.058 0.000 0.695 77 V HN 0.715 nan 8.190 nan 0.000 0.463 78 A N -0.487 122.300 122.820 -0.055 0.000 2.520 78 A HA 0.860 5.180 4.320 -0.001 0.000 0.298 78 A C -0.736 176.962 177.584 0.190 0.000 1.051 78 A CA 0.029 52.092 52.037 0.043 0.000 0.690 78 A CB 1.529 20.639 19.000 0.182 0.000 1.281 78 A HN 0.482 nan 8.150 nan 0.000 0.402 79 A N 1.612 124.572 122.820 0.234 0.000 2.317 79 A HA 0.671 4.991 4.320 -0.001 0.000 0.327 79 A C -0.072 177.670 177.584 0.263 0.000 1.178 79 A CA -0.474 51.733 52.037 0.283 0.000 0.817 79 A CB 0.253 19.447 19.000 0.324 0.000 1.189 79 A HN 0.820 nan 8.150 nan 0.000 0.489 80 E N 0.664 120.923 120.200 0.099 0.000 2.398 80 E HA 0.343 4.692 4.350 -0.001 0.000 0.263 80 E C -0.593 175.647 176.600 -0.600 0.000 1.046 80 E CA -0.164 56.013 56.400 -0.373 0.000 0.908 80 E CB 1.046 30.473 29.700 -0.457 0.000 0.963 80 E HN 0.387 nan 8.360 nan 0.000 0.431 81 V N 3.020 122.545 119.914 -0.649 0.000 2.612 81 V HA 0.314 4.433 4.120 -0.001 0.000 0.301 81 V C -0.843 174.868 176.094 -0.639 0.000 1.046 81 V CA -0.466 61.521 62.300 -0.521 0.000 0.946 81 V CB 0.588 32.244 31.823 -0.279 0.000 1.003 81 V HN 0.521 nan 8.190 nan 0.000 0.459 82 Y N 0.897 121.087 120.300 -0.183 0.000 2.662 82 Y HA 0.342 4.892 4.550 -0.001 0.000 0.335 82 Y C 1.122 176.910 175.900 -0.188 0.000 1.066 82 Y CA -1.120 56.847 58.100 -0.221 0.000 1.116 82 Y CB 1.043 39.372 38.460 -0.219 0.000 1.308 82 Y HN 0.691 nan 8.280 nan 0.000 0.502 83 Q N 0.053 119.854 119.800 0.001 0.000 1.954 83 Q HA -0.235 4.104 4.340 -0.001 0.000 0.215 83 Q C 0.572 176.540 176.000 -0.052 0.000 1.026 83 Q CA 3.333 59.088 55.803 -0.080 0.000 0.881 83 Q CB -1.103 27.540 28.738 -0.157 0.000 0.977 83 Q HN 0.857 nan 8.270 nan 0.000 0.416 84 T N -1.036 113.495 114.554 -0.039 0.000 8.466 84 T HA -0.362 3.987 4.350 -0.001 0.000 0.319 84 T C 0.798 175.533 174.700 0.059 0.000 2.022 84 T CA 1.691 63.807 62.100 0.026 0.000 3.147 84 T CB -1.281 67.602 68.868 0.024 0.000 2.153 84 T HN 0.702 nan 8.240 nan 0.000 1.109 85 R N 0.663 121.157 120.500 -0.011 0.000 3.977 85 R HA -0.250 4.090 4.340 -0.001 0.000 0.428 85 R C 0.580 176.877 176.300 -0.005 0.000 1.079 85 R CA 2.494 58.584 56.100 -0.016 0.000 1.269 85 R CB -1.798 28.539 30.300 0.063 0.000 1.856 85 R HN 1.005 nan 8.270 nan 0.000 0.551 86 G N 0.018 108.822 108.800 0.006 0.000 3.495 86 G HA2 0.408 4.368 3.960 -0.001 0.000 0.178 86 G HA3 0.408 4.368 3.960 -0.001 0.000 0.178 86 G C -1.227 173.669 174.900 -0.007 0.000 1.262 86 G CA -0.347 44.754 45.100 0.002 0.000 1.096 86 G HN 0.118 nan 8.290 nan 0.000 0.727 87 K N 1.987 122.386 120.400 -0.001 0.000 2.249 87 K HA 0.495 4.814 4.320 -0.001 0.000 0.280 87 K C -2.539 174.051 176.600 -0.017 0.000 1.033 87 K CA -1.550 54.730 56.287 -0.011 0.000 0.946 87 K CB 1.077 33.572 32.500 -0.007 0.000 1.005 87 K HN 0.090 nan 8.250 nan 0.000 0.469 88 P HA -0.070 nan 4.420 nan 0.000 0.267 88 P C -0.833 176.442 177.300 -0.041 0.000 1.201 88 P CA 0.078 63.150 63.100 -0.046 0.000 0.775 88 P CB 0.534 32.195 31.700 -0.065 0.000 0.854 89 Q N -0.361 119.415 119.800 -0.040 0.000 2.462 89 Q HA 0.339 4.679 4.340 -0.001 0.000 0.285 89 Q C -0.362 175.606 176.000 -0.053 0.000 1.035 89 Q CA -0.542 55.238 55.803 -0.038 0.000 0.799 89 Q CB 1.925 30.654 28.738 -0.015 0.000 1.452 89 Q HN 0.403 nan 8.270 nan 0.000 0.404 90 T N -1.554 112.967 114.554 -0.055 0.000 3.243 90 T HA 0.396 4.745 4.350 -0.001 0.000 0.264 90 T C 0.155 174.881 174.700 0.044 0.000 1.000 90 T CA -0.345 61.736 62.100 -0.031 0.000 0.901 90 T CB 0.089 68.944 68.868 -0.021 0.000 1.083 90 T HN 0.218 nan 8.240 nan 0.000 0.559 91 R N 0.917 121.453 120.500 0.060 0.000 2.740 91 R HA 0.592 4.931 4.340 -0.001 0.000 0.273 91 R C -1.705 174.629 176.300 0.055 0.000 0.998 91 R CA -0.859 55.237 56.100 -0.007 0.000 0.900 91 R CB 2.073 32.266 30.300 -0.179 0.000 1.223 91 R HN 0.465 nan 8.270 nan 0.000 0.466 92 Y N -1.369 118.823 120.300 -0.181 0.000 2.597 92 Y HA 0.562 5.114 4.550 0.002 0.000 0.340 92 Y C -1.599 174.118 175.900 -0.304 0.000 1.097 92 Y CA -1.498 56.432 58.100 -0.282 0.000 1.037 92 Y CB 0.892 39.236 38.460 -0.192 0.000 1.305 92 Y HN 0.394 nan 8.280 nan 0.000 0.463 93 Y N 1.730 122.060 120.300 0.049 0.000 2.326 93 Y HA 0.696 5.245 4.550 -0.001 0.000 0.337 93 Y C 0.473 176.454 175.900 0.135 0.000 1.023 93 Y CA -0.690 57.405 58.100 -0.008 0.000 1.143 93 Y CB 1.411 39.854 38.460 -0.028 0.000 1.183 93 Y HN 0.918 nan 8.280 nan 0.000 0.485 94 A N 3.430 126.424 122.820 0.290 0.000 2.354 94 A HA 0.723 5.043 4.320 -0.001 0.000 0.269 94 A C -0.240 177.539 177.584 0.325 0.000 1.109 94 A CA -0.300 51.926 52.037 0.316 0.000 0.800 94 A CB 0.181 19.327 19.000 0.242 0.000 1.045 94 A HN 0.828 nan 8.150 nan 0.000 0.489 95 V N -1.934 118.167 119.914 0.312 0.000 3.181 95 V HA 0.945 5.064 4.120 -0.001 0.000 0.308 95 V C -0.270 176.002 176.094 0.297 0.000 1.214 95 V CA -0.460 62.015 62.300 0.291 0.000 1.053 95 V CB 1.536 33.519 31.823 0.266 0.000 1.069 95 V HN 1.833 nan 8.190 nan 0.000 0.441 96 A N 1.558 124.531 122.820 0.255 0.000 2.310 96 A HA 0.821 5.140 4.320 -0.001 0.000 0.304 96 A C -0.605 177.021 177.584 0.070 0.000 1.231 96 A CA -0.584 51.562 52.037 0.182 0.000 0.799 96 A CB 0.942 20.109 19.000 0.278 0.000 1.162 96 A HN 1.384 nan 8.150 nan 0.000 0.486 97 V N 3.048 122.972 119.914 0.017 0.000 2.509 97 V HA 0.634 4.754 4.120 -0.001 0.000 0.284 97 V C 0.326 176.410 176.094 -0.016 0.000 1.047 97 V CA -0.338 61.988 62.300 0.044 0.000 0.952 97 V CB 1.034 32.924 31.823 0.111 0.000 0.988 97 V HN 1.020 nan 8.190 nan 0.000 0.469 98 V N 1.313 121.232 119.914 0.008 0.000 3.114 98 V HA 0.643 4.763 4.120 -0.001 0.000 0.308 98 V C -0.551 175.510 176.094 -0.055 0.000 1.168 98 V CA -1.342 60.925 62.300 -0.056 0.000 1.015 98 V CB 1.845 33.556 31.823 -0.186 0.000 1.050 98 V HN 0.724 nan 8.190 nan 0.000 0.433 99 K N 1.234 121.544 120.400 -0.151 0.000 2.202 99 K HA 0.384 4.703 4.320 -0.001 0.000 0.264 99 K C -0.110 176.325 176.600 -0.275 0.000 1.010 99 K CA -0.422 55.673 56.287 -0.321 0.000 0.940 99 K CB 0.701 33.009 32.500 -0.320 0.000 0.983 99 K HN 0.651 nan 8.250 nan 0.000 0.475 100 K N 0.586 120.810 120.400 -0.294 0.000 2.298 100 K HA 0.117 4.436 4.320 -0.001 0.000 0.280 100 K C 0.329 176.821 176.600 -0.179 0.000 1.032 100 K CA 0.482 56.647 56.287 -0.205 0.000 0.958 100 K CB 0.969 33.369 32.500 -0.167 0.000 0.978 100 K HN 0.878 nan 8.250 nan 0.000 0.472 101 G N 1.554 110.262 108.800 -0.153 0.000 2.270 101 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.224 101 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.224 101 G C 0.269 175.106 174.900 -0.105 0.000 1.079 101 G CA 0.282 45.312 45.100 -0.116 0.000 0.807 101 G HN 0.628 nan 8.290 nan 0.000 0.492 102 S N -1.939 113.672 115.700 -0.149 0.000 2.604 102 S HA 0.483 4.953 4.470 -0.001 0.000 0.235 102 S C 2.341 176.889 174.600 -0.088 0.000 1.043 102 S CA 1.344 59.488 58.200 -0.093 0.000 0.997 102 S CB 0.748 63.874 63.200 -0.123 0.000 0.956 102 S HN 2.268 nan 8.310 nan 0.000 0.535 103 G N 2.657 111.352 108.800 -0.175 0.000 2.934 103 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.231 103 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.231 103 G C 0.176 175.015 174.900 -0.102 0.000 1.235 103 G CA 0.688 45.723 45.100 -0.109 0.000 0.812 103 G HN 1.110 nan 8.290 nan 0.000 0.521 104 F N 2.079 122.009 119.950 -0.033 0.000 2.595 104 F HA 0.623 5.149 4.527 -0.002 0.000 0.359 104 F C 0.621 176.407 175.800 -0.023 0.000 1.147 104 F CA -0.533 57.449 58.000 -0.030 0.000 1.341 104 F CB 0.370 39.350 39.000 -0.033 0.000 1.104 104 F HN 0.305 nan 8.300 nan 0.000 0.603 105 Q N 2.431 122.331 119.800 0.168 0.000 2.364 105 Q HA 0.280 4.620 4.340 -0.001 0.000 0.204 105 Q C 1.128 177.227 176.000 0.165 0.000 1.002 105 Q CA -0.781 55.072 55.803 0.085 0.000 1.012 105 Q CB 0.751 29.515 28.738 0.043 0.000 1.188 105 Q HN 0.886 nan 8.270 nan 0.000 0.522 106 L N 1.802 123.085 121.223 0.099 0.000 2.083 106 L HA -0.173 4.166 4.340 -0.001 0.000 0.209 106 L C 1.232 178.083 176.870 -0.032 0.000 1.083 106 L CA 1.940 56.840 54.840 0.099 0.000 0.752 106 L CB -0.554 41.558 42.059 0.088 0.000 0.899 106 L HN 0.658 nan 8.230 nan 0.000 0.433 107 N N -0.743 117.899 118.700 -0.097 0.000 2.421 107 N HA -0.088 4.652 4.740 -0.001 0.000 0.201 107 N C 0.424 175.765 175.510 -0.281 0.000 1.198 107 N CA 0.380 53.212 53.050 -0.363 0.000 0.838 107 N CB -0.265 38.180 38.487 -0.070 0.000 1.011 107 N HN 0.588 nan 8.380 nan 0.000 0.463 108 Q N -0.159 119.575 119.800 -0.110 0.000 2.089 108 Q HA 0.334 4.674 4.340 -0.001 0.000 0.248 108 Q C 0.660 176.585 176.000 -0.125 0.000 0.828 108 Q CA -0.123 55.636 55.803 -0.074 0.000 1.102 108 Q CB 0.559 29.320 28.738 0.040 0.000 1.221 108 Q HN 0.246 nan 8.270 nan 0.000 0.455 109 L N 0.292 121.462 121.223 -0.088 0.000 2.552 109 L HA -0.002 4.337 4.340 -0.001 0.000 0.227 109 L C 1.098 177.739 176.870 -0.382 0.000 1.146 109 L CA 0.297 55.081 54.840 -0.095 0.000 0.858 109 L CB -0.328 41.936 42.059 0.341 0.000 0.969 109 L HN 0.354 nan 8.230 nan 0.000 0.451 110 Q N 1.328 120.709 119.800 -0.699 0.000 2.304 110 Q HA 0.121 4.461 4.340 -0.001 0.000 0.301 110 Q C 1.212 176.830 176.000 -0.637 0.000 1.063 110 Q CA 1.298 56.392 55.803 -1.182 0.000 0.947 110 Q CB 0.556 28.792 28.738 -0.836 0.000 1.201 110 Q HN 0.348 nan 8.270 nan 0.000 0.389 111 G N 1.961 110.420 108.800 -0.568 0.000 2.184 111 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.264 111 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.264 111 G C 0.067 174.861 174.900 -0.176 0.000 0.975 111 G CA 0.151 45.081 45.100 -0.282 0.000 0.642 111 G HN 0.663 nan 8.290 nan 0.000 0.536 112 V N 0.720 120.533 119.914 -0.169 0.000 3.214 112 V HA 0.428 4.548 4.120 -0.001 0.000 0.306 112 V C 0.840 176.970 176.094 0.059 0.000 1.078 112 V CA -0.240 61.979 62.300 -0.135 0.000 1.077 112 V CB 1.450 33.086 31.823 -0.311 0.000 1.121 112 V HN 0.314 nan 8.190 nan 0.000 0.468 113 K N 1.971 122.363 120.400 -0.013 0.000 2.183 113 K HA 0.553 4.873 4.320 -0.001 0.000 0.274 113 K C -0.437 176.113 176.600 -0.084 0.000 1.009 113 K CA -0.175 56.116 56.287 0.007 0.000 0.888 113 K CB 1.478 33.965 32.500 -0.021 0.000 1.078 113 K HN 0.814 nan 8.250 nan 0.000 0.459 114 S N 0.683 116.298 115.700 -0.143 0.000 2.542 114 S HA 0.502 4.972 4.470 -0.001 0.000 0.293 114 S C -0.459 174.007 174.600 -0.224 0.000 1.089 114 S CA -0.888 57.092 58.200 -0.367 0.000 0.961 114 S CB 1.020 63.718 63.200 -0.836 0.000 1.062 114 S HN 0.612 nan 8.310 nan 0.000 0.483 115 c N 3.664 122.064 118.600 -0.334 0.000 2.322 115 c HA 0.667 5.237 4.570 -0.001 0.000 0.324 115 c C -0.105 173.878 174.090 -0.180 0.000 1.284 115 c CA -0.540 55.677 56.329 -0.186 0.000 1.606 115 c CB -0.554 41.796 42.510 -0.267 0.000 2.251 115 c HN 0.904 nan 8.230 nan 0.000 0.502 116 H N 1.175 120.269 119.070 0.041 0.000 2.690 116 H HA 0.255 4.810 4.556 -0.002 0.000 0.368 116 H C 0.870 176.222 175.328 0.041 0.000 1.150 116 H CA -0.131 55.994 56.048 0.128 0.000 1.174 116 H CB 2.046 31.941 29.762 0.221 0.000 1.684 116 H HN 0.720 nan 8.280 nan 0.000 0.538 117 T N 0.864 115.479 114.554 0.102 0.000 2.555 117 T HA -0.028 4.321 4.350 -0.001 0.000 0.264 117 T C 1.058 175.641 174.700 -0.195 0.000 1.083 117 T CA 0.969 62.983 62.100 -0.144 0.000 1.179 117 T CB -0.193 68.501 68.868 -0.289 0.000 0.863 117 T HN 0.748 nan 8.240 nan 0.000 0.412 118 G N 0.241 108.984 108.800 -0.094 0.000 2.579 118 G HA2 0.484 4.444 3.960 -0.001 0.000 0.292 118 G HA3 0.484 4.444 3.960 -0.001 0.000 0.292 118 G C -1.667 173.175 174.900 -0.096 0.000 1.484 118 G CA -0.885 44.168 45.100 -0.079 0.000 0.813 118 G HN 0.579 nan 8.290 nan 0.000 0.515 119 L N 1.552 122.663 121.223 -0.186 0.000 2.534 119 L HA 0.468 4.808 4.340 -0.001 0.000 0.271 119 L C 1.446 178.158 176.870 -0.262 0.000 1.178 119 L CA 2.497 57.015 54.840 -0.537 0.000 0.907 119 L CB 0.525 42.272 42.059 -0.520 0.000 1.164 119 L HN 2.027 nan 8.230 nan 0.000 0.482 120 G N 3.458 112.029 108.800 -0.383 0.000 2.213 120 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.226 120 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.226 120 G C 0.496 175.471 174.900 0.125 0.000 0.992 120 G CA 0.090 45.202 45.100 0.020 0.000 0.632 120 G HN 0.648 nan 8.290 nan 0.000 0.511 121 R N 1.076 121.637 120.500 0.103 0.000 2.459 121 R HA 0.637 4.977 4.340 -0.001 0.000 0.281 121 R C 1.594 178.014 176.300 0.199 0.000 1.050 121 R CA 0.060 56.223 56.100 0.105 0.000 1.055 121 R CB 0.934 31.223 30.300 -0.018 0.000 1.045 121 R HN 0.153 nan 8.270 nan 0.000 0.495 122 S N 1.897 117.735 115.700 0.230 0.000 2.456 122 S HA -0.309 4.160 4.470 -0.001 0.000 0.232 122 S C 1.836 176.566 174.600 0.217 0.000 1.046 122 S CA 1.993 60.373 58.200 0.300 0.000 1.175 122 S CB -0.374 63.036 63.200 0.350 0.000 1.129 122 S HN 0.816 nan 8.310 nan 0.000 0.420 123 A N 0.508 123.487 122.820 0.265 0.000 2.167 123 A HA 0.336 4.655 4.320 -0.001 0.000 0.214 123 A C 1.990 179.710 177.584 0.225 0.000 1.151 123 A CA 1.140 53.329 52.037 0.254 0.000 0.735 123 A CB -0.654 18.582 19.000 0.393 0.000 0.802 123 A HN 0.557 nan 8.150 nan 0.000 0.467 124 G N -2.976 105.949 108.800 0.208 0.000 2.887 124 G HA2 0.171 4.131 3.960 -0.001 0.000 0.211 124 G HA3 0.171 4.131 3.960 -0.001 0.000 0.211 124 G C 0.933 176.092 174.900 0.432 0.000 1.152 124 G CA 0.727 45.987 45.100 0.265 0.000 0.769 124 G HN 0.578 nan 8.290 nan 0.000 0.541 125 W N -0.495 120.831 121.300 0.043 0.000 5.456 125 W HA 0.019 4.679 4.660 0.000 0.000 0.165 125 W C 1.035 177.498 176.519 -0.093 0.000 2.732 125 W CA 0.217 57.555 57.345 -0.013 0.000 1.988 125 W CB -0.506 28.947 29.460 -0.013 0.000 0.907 125 W HN 0.036 nan 8.180 nan 0.000 1.066 126 N N 1.910 120.710 118.700 0.166 0.000 2.060 126 N HA -0.204 4.535 4.740 -0.001 0.000 0.195 126 N C 1.568 176.965 175.510 -0.189 0.000 1.028 126 N CA 2.561 55.581 53.050 -0.050 0.000 0.861 126 N CB -0.734 37.723 38.487 -0.050 0.000 1.029 126 N HN 0.147 nan 8.380 nan 0.000 0.428 127 I N 1.309 121.805 120.570 -0.124 0.000 2.193 127 I HA -0.118 4.052 4.170 -0.001 0.000 0.240 127 I C -0.651 175.352 176.117 -0.190 0.000 1.084 127 I CA 1.221 62.441 61.300 -0.134 0.000 1.365 127 I CB -2.181 35.803 38.000 -0.026 0.000 1.064 127 I HN 0.104 nan 8.210 nan 0.000 0.410 128 P HA -0.125 nan 4.420 nan 0.000 0.215 128 P C 1.957 178.993 177.300 -0.439 0.000 1.157 128 P CA 1.434 64.246 63.100 -0.480 0.000 0.863 128 P CB -0.039 30.937 31.700 -1.206 0.000 0.787 129 I N 0.480 120.733 120.570 -0.529 0.000 2.208 129 I HA -0.128 4.042 4.170 -0.001 0.000 0.245 129 I C 2.745 178.620 176.117 -0.404 0.000 1.097 129 I CA 1.827 62.784 61.300 -0.572 0.000 1.363 129 I CB -2.351 35.082 38.000 -0.944 0.000 1.051 129 I HN 0.032 nan 8.210 nan 0.000 0.413 130 G N 0.345 108.949 108.800 -0.327 0.000 2.422 130 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.218 130 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.218 130 G C 1.626 176.435 174.900 -0.152 0.000 1.146 130 G CA 1.330 46.301 45.100 -0.214 0.000 0.769 130 G HN 0.388 nan 8.290 nan 0.000 0.547 131 T N 1.229 115.696 114.554 -0.144 0.000 2.867 131 T HA 0.033 4.383 4.350 -0.001 0.000 0.268 131 T C 2.072 176.767 174.700 -0.009 0.000 1.057 131 T CA 0.585 62.648 62.100 -0.060 0.000 1.136 131 T CB -0.082 68.764 68.868 -0.037 0.000 0.874 131 T HN 0.185 nan 8.240 nan 0.000 0.466 132 L N 0.479 121.652 121.223 -0.082 0.000 2.611 132 L HA 0.323 4.663 4.340 -0.001 0.000 0.229 132 L C 2.481 179.275 176.870 -0.125 0.000 1.137 132 L CA -0.106 54.715 54.840 -0.031 0.000 0.901 132 L CB -0.366 41.545 42.059 -0.247 0.000 1.098 132 L HN 0.109 nan 8.230 nan 0.000 0.456 133 R N 1.664 122.078 120.500 -0.144 0.000 2.096 133 R HA -0.173 4.167 4.340 -0.001 0.000 0.240 133 R C -0.523 175.722 176.300 -0.092 0.000 1.139 133 R CA 1.830 57.865 56.100 -0.109 0.000 0.952 133 R CB -0.954 29.335 30.300 -0.019 0.000 0.854 133 R HN 0.200 nan 8.270 nan 0.000 0.436 134 P HA -0.147 nan 4.420 nan 0.000 0.222 134 P C -0.008 177.035 177.300 -0.428 0.000 1.142 134 P CA 1.358 64.269 63.100 -0.315 0.000 0.788 134 P CB -0.011 31.411 31.700 -0.464 0.000 0.767 135 Y N -2.539 117.727 120.300 -0.057 0.000 2.444 135 Y HA 0.208 4.758 4.550 -0.000 0.000 0.249 135 Y C 1.954 177.866 175.900 0.021 0.000 1.134 135 Y CA -0.077 58.042 58.100 0.032 0.000 1.261 135 Y CB -0.527 38.018 38.460 0.142 0.000 1.143 135 Y HN -0.164 nan 8.280 nan 0.000 0.523 136 L N 0.002 121.198 121.223 -0.045 0.000 2.291 136 L HA -0.103 4.237 4.340 -0.001 0.000 0.214 136 L C 0.022 176.943 176.870 0.085 0.000 1.120 136 L CA 0.799 55.592 54.840 -0.078 0.000 0.799 136 L CB -0.647 41.287 42.059 -0.209 0.000 0.925 136 L HN 0.319 nan 8.230 nan 0.000 0.446 137 N N -0.530 118.227 118.700 0.094 0.000 2.614 137 N HA -0.245 4.495 4.740 -0.001 0.000 0.276 137 N C -0.941 174.674 175.510 0.175 0.000 1.119 137 N CA 0.270 53.380 53.050 0.100 0.000 0.742 137 N CB -0.643 37.895 38.487 0.084 0.000 0.900 137 N HN 0.438 nan 8.380 nan 0.000 0.549 138 W N 2.193 123.459 121.300 -0.056 0.000 2.900 138 W HA 0.438 5.098 4.660 0.001 0.000 0.336 138 W C 0.931 177.421 176.519 -0.049 0.000 1.064 138 W CA -0.488 56.825 57.345 -0.054 0.000 1.237 138 W CB 0.631 30.043 29.460 -0.079 0.000 1.391 138 W HN 0.092 nan 8.180 nan 0.000 0.468 139 T N 3.134 117.519 114.554 -0.282 0.000 2.399 139 T HA 0.165 4.515 4.350 -0.001 0.000 0.242 139 T C 0.758 174.940 174.700 -0.862 0.000 1.348 139 T CA 2.583 64.417 62.100 -0.443 0.000 1.200 139 T CB -0.966 67.729 68.868 -0.288 0.000 0.862 139 T HN 0.994 nan 8.240 nan 0.000 0.404 140 G N -0.273 107.662 108.800 -1.443 0.000 2.367 140 G HA2 0.296 4.255 3.960 -0.001 0.000 0.272 140 G HA3 0.296 4.255 3.960 -0.001 0.000 0.272 140 G C -2.394 172.005 174.900 -0.834 0.000 1.271 140 G CA -0.132 44.055 45.100 -1.521 0.000 0.893 140 G HN 0.093 nan 8.290 nan 0.000 0.485 141 P HA -0.144 nan 4.420 nan 0.000 0.219 141 P C -1.143 176.208 177.300 0.084 0.000 1.158 141 P CA 2.867 65.989 63.100 0.037 0.000 0.895 141 P CB -0.979 30.723 31.700 0.003 0.000 0.792 142 P HA -0.102 nan 4.420 nan 0.000 0.216 142 P C 0.829 178.192 177.300 0.106 0.000 1.150 142 P CA 1.127 64.252 63.100 0.042 0.000 0.837 142 P CB -0.339 31.359 31.700 -0.003 0.000 0.786 143 E N 0.400 120.687 120.200 0.145 0.000 2.229 143 E HA 0.156 4.506 4.350 -0.001 0.000 0.283 143 E C -2.301 174.550 176.600 0.418 0.000 1.030 143 E CA -2.729 53.825 56.400 0.258 0.000 0.836 143 E CB 0.414 30.278 29.700 0.274 0.000 1.068 143 E HN 0.008 nan 8.360 nan 0.000 0.401 144 P HA -0.092 nan 4.420 nan 0.000 0.262 144 P C 0.523 177.810 177.300 -0.022 0.000 1.199 144 P CA -0.007 63.179 63.100 0.144 0.000 0.763 144 P CB 0.502 32.266 31.700 0.107 0.000 0.790 145 L N 4.942 126.094 121.223 -0.118 0.000 2.051 145 L HA -0.285 4.055 4.340 -0.001 0.000 0.214 145 L C 2.049 178.653 176.870 -0.443 0.000 1.076 145 L CA 2.025 56.498 54.840 -0.613 0.000 0.758 145 L CB -0.979 40.817 42.059 -0.440 0.000 0.890 145 L HN 0.399 nan 8.230 nan 0.000 0.433 146 Q N -0.634 119.009 119.800 -0.261 0.000 2.096 146 Q HA -0.295 4.045 4.340 -0.001 0.000 0.204 146 Q C 2.320 177.950 176.000 -0.617 0.000 0.982 146 Q CA 2.032 57.619 55.803 -0.360 0.000 0.850 146 Q CB -0.251 28.183 28.738 -0.507 0.000 0.901 146 Q HN 0.537 nan 8.270 nan 0.000 0.422 147 K N -0.004 120.010 120.400 -0.644 0.000 2.280 147 K HA -0.118 4.201 4.320 -0.001 0.000 0.202 147 K C 1.822 178.308 176.600 -0.190 0.000 1.047 147 K CA 0.878 56.941 56.287 -0.374 0.000 0.942 147 K CB 0.028 32.483 32.500 -0.075 0.000 0.739 147 K HN 0.175 nan 8.250 nan 0.000 0.457 148 A N 0.133 122.791 122.820 -0.271 0.000 1.855 148 A HA -0.053 4.266 4.320 -0.001 0.000 0.213 148 A C 2.141 179.598 177.584 -0.212 0.000 1.195 148 A CA 1.079 52.966 52.037 -0.250 0.000 0.610 148 A CB -0.523 18.151 19.000 -0.544 0.000 0.837 148 A HN 0.099 nan 8.150 nan 0.000 0.444 149 V N 0.328 120.079 119.914 -0.272 0.000 2.295 149 V HA -0.263 3.857 4.120 -0.001 0.000 0.246 149 V C 3.062 179.190 176.094 0.056 0.000 1.049 149 V CA 1.967 64.178 62.300 -0.148 0.000 1.024 149 V CB -1.364 30.391 31.823 -0.114 0.000 0.648 149 V HN 0.595 nan 8.190 nan 0.000 0.447 150 A N 0.277 123.119 122.820 0.037 0.000 1.986 150 A HA -0.260 4.060 4.320 -0.001 0.000 0.220 150 A C 2.038 179.688 177.584 0.110 0.000 1.171 150 A CA 2.134 54.239 52.037 0.112 0.000 0.640 150 A CB -0.636 18.411 19.000 0.078 0.000 0.811 150 A HN 0.611 nan 8.150 nan 0.000 0.451 151 N N -1.899 116.837 118.700 0.061 0.000 2.409 151 N HA -0.015 4.725 4.740 -0.001 0.000 0.179 151 N C 1.293 176.830 175.510 0.046 0.000 1.032 151 N CA 0.866 53.949 53.050 0.056 0.000 0.898 151 N CB -0.266 38.249 38.487 0.047 0.000 0.971 151 N HN 0.584 nan 8.380 nan 0.000 0.441 152 F N 0.646 120.493 119.950 -0.172 0.000 2.123 152 F HA 0.154 4.680 4.527 -0.001 0.000 0.289 152 F C 0.194 175.783 175.800 -0.352 0.000 1.099 152 F CA 0.411 58.211 58.000 -0.332 0.000 1.234 152 F CB -0.069 38.592 39.000 -0.565 0.000 1.034 152 F HN -0.257 nan 8.300 nan 0.000 0.479 153 F N 1.617 121.717 119.950 0.249 0.000 2.445 153 F HA 0.163 4.691 4.527 0.002 0.000 0.359 153 F C 1.792 177.627 175.800 0.058 0.000 1.101 153 F CA -0.404 57.680 58.000 0.141 0.000 1.177 153 F CB 0.501 39.649 39.000 0.246 0.000 1.110 153 F HN 0.013 nan 8.300 nan 0.000 0.522 154 S N 2.116 117.909 115.700 0.155 0.000 2.440 154 S HA 0.159 4.628 4.470 -0.001 0.000 0.240 154 S C 0.640 175.306 174.600 0.110 0.000 1.014 154 S CA 0.545 58.792 58.200 0.078 0.000 0.980 154 S CB -0.306 62.904 63.200 0.017 0.000 0.775 154 S HN 0.933 nan 8.310 nan 0.000 0.499 155 A N -0.750 122.166 122.820 0.160 0.000 2.596 155 A HA 0.630 4.950 4.320 -0.001 0.000 0.305 155 A C -0.536 177.136 177.584 0.147 0.000 1.032 155 A CA -0.499 51.620 52.037 0.137 0.000 0.776 155 A CB 0.477 19.529 19.000 0.087 0.000 1.253 155 A HN 0.308 nan 8.150 nan 0.000 0.402 156 S N -0.724 115.069 115.700 0.154 0.000 2.656 156 S HA 0.722 5.192 4.470 -0.001 0.000 0.273 156 S C -1.243 173.447 174.600 0.149 0.000 1.168 156 S CA -0.279 58.011 58.200 0.149 0.000 0.817 156 S CB 1.708 65.039 63.200 0.219 0.000 1.146 156 S HN 1.887 nan 8.310 nan 0.000 0.475 157 c N 2.548 121.249 118.600 0.168 0.000 2.386 157 c HA 0.762 5.332 4.570 -0.001 0.000 0.318 157 c C -1.055 173.157 174.090 0.204 0.000 1.128 157 c CA -0.129 56.306 56.329 0.176 0.000 1.438 157 c CB -1.286 41.335 42.510 0.185 0.000 1.987 157 c HN 0.588 nan 8.230 nan 0.000 0.426 158 V N 8.750 128.741 119.914 0.130 0.000 2.289 158 V HA 0.328 4.448 4.120 -0.001 0.000 0.272 158 V C -2.129 173.989 176.094 0.040 0.000 1.026 158 V CA -1.308 61.018 62.300 0.043 0.000 0.807 158 V CB 1.100 32.844 31.823 -0.132 0.000 1.044 158 V HN 0.708 nan 8.190 nan 0.000 0.443 159 P HA 0.066 nan 4.420 nan 0.000 0.266 159 P C 0.747 178.115 177.300 0.113 0.000 1.186 159 P CA 0.316 63.522 63.100 0.177 0.000 0.767 159 P CB 0.250 32.168 31.700 0.364 0.000 0.820 160 c N 0.044 118.714 118.600 0.117 0.000 4.784 160 c HA -0.139 4.431 4.570 -0.001 0.000 0.261 160 c C 1.096 175.178 174.090 -0.014 0.000 1.492 160 c CA 0.090 56.474 56.329 0.092 0.000 1.622 160 c CB -2.838 39.803 42.510 0.219 0.000 1.855 160 c HN 0.819 nan 8.230 nan 0.000 0.662 161 A N 0.721 123.519 122.820 -0.037 0.000 2.401 161 A HA 0.468 4.788 4.320 -0.001 0.000 0.259 161 A C 0.541 178.140 177.584 0.025 0.000 1.103 161 A CA 0.539 52.543 52.037 -0.056 0.000 0.789 161 A CB 0.196 19.165 19.000 -0.052 0.000 1.035 161 A HN 0.439 nan 8.150 nan 0.000 0.491 162 D N 2.841 123.280 120.400 0.065 0.000 2.669 162 D HA 0.049 4.689 4.640 -0.001 0.000 0.229 162 D C 1.594 177.908 176.300 0.022 0.000 1.092 162 D CA 0.843 54.865 54.000 0.037 0.000 1.175 162 D CB -0.415 40.407 40.800 0.037 0.000 1.133 162 D HN 0.654 nan 8.370 nan 0.000 0.471 163 G N 1.860 110.681 108.800 0.035 0.000 2.537 163 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.220 163 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.220 163 G C 1.606 176.496 174.900 -0.017 0.000 1.111 163 G CA 0.425 45.548 45.100 0.038 0.000 0.748 163 G HN 0.377 nan 8.290 nan 0.000 0.564 164 K N -0.556 119.804 120.400 -0.068 0.000 1.991 164 K HA -0.009 4.310 4.320 -0.001 0.000 0.207 164 K C 2.591 179.088 176.600 -0.171 0.000 1.045 164 K CA 1.068 57.299 56.287 -0.093 0.000 0.937 164 K CB -0.162 32.284 32.500 -0.090 0.000 0.720 164 K HN 0.273 nan 8.250 nan 0.000 0.438 165 Q N -0.426 119.167 119.800 -0.346 0.000 2.083 165 Q HA -0.091 4.248 4.340 -0.001 0.000 0.198 165 Q C -0.068 175.556 176.000 -0.628 0.000 0.969 165 Q CA 1.158 56.599 55.803 -0.604 0.000 0.838 165 Q CB 0.342 28.444 28.738 -1.059 0.000 0.900 165 Q HN 0.287 nan 8.270 nan 0.000 0.436 166 Y N -0.166 120.150 120.300 0.027 0.000 2.726 166 Y HA 0.248 4.797 4.550 -0.002 0.000 0.367 166 Y C -1.805 174.122 175.900 0.044 0.000 1.038 166 Y CA -2.803 55.321 58.100 0.040 0.000 1.174 166 Y CB 0.390 38.878 38.460 0.046 0.000 1.265 166 Y HN 0.138 nan 8.280 nan 0.000 0.622 167 P HA -0.217 nan 4.420 nan 0.000 0.221 167 P C 1.042 178.410 177.300 0.113 0.000 1.145 167 P CA 1.515 64.666 63.100 0.086 0.000 0.795 167 P CB 0.540 32.271 31.700 0.053 0.000 0.775 168 N N -0.289 118.496 118.700 0.142 0.000 2.396 168 N HA -0.056 4.683 4.740 -0.001 0.000 0.180 168 N C 1.888 177.493 175.510 0.159 0.000 1.028 168 N CA 0.471 53.605 53.050 0.140 0.000 0.893 168 N CB -0.613 37.962 38.487 0.146 0.000 0.967 168 N HN 0.062 nan 8.380 nan 0.000 0.440 169 L N -0.865 120.464 121.223 0.177 0.000 2.156 169 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 169 L C 1.479 178.430 176.870 0.134 0.000 1.095 169 L CA 0.653 55.593 54.840 0.166 0.000 0.770 169 L CB -0.203 41.961 42.059 0.175 0.000 0.914 169 L HN 0.399 nan 8.230 nan 0.000 0.439 170 c N -1.721 116.952 118.600 0.122 0.000 2.912 170 c HA 0.090 4.660 4.570 -0.001 0.000 0.274 170 c C 2.640 176.797 174.090 0.111 0.000 1.248 170 c CA -0.563 55.832 56.329 0.110 0.000 1.694 170 c CB -0.242 42.320 42.510 0.087 0.000 2.024 170 c HN 0.418 nan 8.230 nan 0.000 0.605 171 R N 1.261 121.825 120.500 0.106 0.000 2.196 171 R HA -0.223 4.117 4.340 -0.001 0.000 0.244 171 R C 1.760 178.123 176.300 0.105 0.000 1.121 171 R CA 1.875 58.032 56.100 0.096 0.000 0.930 171 R CB -0.496 29.860 30.300 0.092 0.000 0.890 171 R HN 0.477 nan 8.270 nan 0.000 0.435 172 L N 0.311 121.603 121.223 0.115 0.000 2.456 172 L HA -0.072 4.268 4.340 -0.001 0.000 0.224 172 L C 0.917 177.923 176.870 0.226 0.000 1.148 172 L CA -0.118 54.800 54.840 0.130 0.000 0.825 172 L CB -0.408 41.696 42.059 0.075 0.000 0.937 172 L HN 0.307 nan 8.230 nan 0.000 0.450 173 c N 1.618 120.354 118.600 0.226 0.000 2.634 173 c HA 0.390 4.960 4.570 -0.001 0.000 0.418 173 c C 1.169 175.359 174.090 0.168 0.000 1.373 173 c CA -0.942 55.556 56.329 0.283 0.000 1.756 173 c CB -0.365 42.259 42.510 0.190 0.000 2.589 173 c HN 0.431 nan 8.230 nan 0.000 0.602 174 A N 2.871 125.723 122.820 0.053 0.000 2.294 174 A HA 0.937 5.256 4.320 -0.001 0.000 0.330 174 A C 0.224 177.750 177.584 -0.097 0.000 1.133 174 A CA 0.253 52.246 52.037 -0.073 0.000 0.836 174 A CB 0.817 19.678 19.000 -0.231 0.000 1.190 174 A HN 1.847 nan 8.150 nan 0.000 0.492 175 G N 0.068 108.830 108.800 -0.064 0.000 2.282 175 G HA2 0.526 4.486 3.960 -0.001 0.000 0.274 175 G HA3 0.526 4.486 3.960 -0.001 0.000 0.274 175 G C -0.302 174.581 174.900 -0.027 0.000 1.718 175 G CA -0.057 45.011 45.100 -0.053 0.000 0.927 175 G HN 1.554 nan 8.290 nan 0.000 0.733 176 T N 0.214 114.752 114.554 -0.027 0.000 2.600 176 T HA 0.245 4.594 4.350 -0.001 0.000 0.369 176 T C 1.648 176.343 174.700 -0.009 0.000 1.055 176 T CA 0.883 62.974 62.100 -0.016 0.000 1.051 176 T CB 0.390 69.249 68.868 -0.016 0.000 1.106 176 T HN 0.735 nan 8.240 nan 0.000 0.524 177 E N 1.402 121.598 120.200 -0.006 0.000 2.194 177 E HA -0.314 4.036 4.350 -0.001 0.000 0.246 177 E C 2.152 178.751 176.600 -0.002 0.000 0.974 177 E CA 2.133 58.531 56.400 -0.003 0.000 0.949 177 E CB -1.412 28.286 29.700 -0.004 0.000 0.896 177 E HN 0.896 nan 8.360 nan 0.000 0.550 178 A N 0.655 123.472 122.820 -0.004 0.000 2.275 178 A HA -0.007 4.312 4.320 -0.001 0.000 0.212 178 A C 1.386 178.967 177.584 -0.006 0.000 1.201 178 A CA 0.499 52.534 52.037 -0.004 0.000 0.843 178 A CB -0.005 18.992 19.000 -0.005 0.000 0.873 178 A HN 0.091 nan 8.150 nan 0.000 0.492 179 D N 0.433 120.827 120.400 -0.011 0.000 2.183 179 D HA -0.047 4.593 4.640 -0.001 0.000 0.203 179 D C 0.985 177.279 176.300 -0.009 0.000 0.969 179 D CA 0.729 54.718 54.000 -0.018 0.000 0.842 179 D CB -0.094 40.690 40.800 -0.025 0.000 0.957 179 D HN 0.417 nan 8.370 nan 0.000 0.484 180 K N 0.131 120.532 120.400 0.002 0.000 2.511 180 K HA -0.086 4.233 4.320 -0.001 0.000 0.280 180 K C 0.324 176.947 176.600 0.038 0.000 1.008 180 K CA 0.131 56.430 56.287 0.020 0.000 1.050 180 K CB 0.212 32.728 32.500 0.026 0.000 0.889 180 K HN 0.214 nan 8.250 nan 0.000 0.484 181 c N 2.727 121.367 118.600 0.067 0.000 4.331 181 c HA -0.226 4.343 4.570 -0.001 0.000 0.293 181 c C 0.669 174.806 174.090 0.079 0.000 1.436 181 c CA 0.329 56.713 56.329 0.093 0.000 1.993 181 c CB -2.466 40.093 42.510 0.083 0.000 1.266 181 c HN 0.871 nan 8.230 nan 0.000 0.795 182 A N -0.574 122.274 122.820 0.047 0.000 2.406 182 A HA 0.381 4.701 4.320 -0.001 0.000 0.243 182 A C 0.959 178.555 177.584 0.020 0.000 1.082 182 A CA 0.693 52.735 52.037 0.008 0.000 0.786 182 A CB 0.143 19.113 19.000 -0.049 0.000 1.029 182 A HN 1.326 nan 8.150 nan 0.000 0.495 183 c N 1.960 120.559 118.600 -0.002 0.000 2.271 183 c HA 0.531 5.101 4.570 -0.001 0.000 0.364 183 c C 1.031 174.927 174.090 -0.324 0.000 1.337 183 c CA 0.454 56.811 56.329 0.047 0.000 1.753 183 c CB -3.075 39.529 42.510 0.156 0.000 2.123 183 c HN 0.966 nan 8.230 nan 0.000 0.577 184 S N -1.263 113.982 115.700 -0.760 0.000 2.790 184 S HA 0.349 4.818 4.470 -0.001 0.000 0.292 184 S C 0.591 174.500 174.600 -1.151 0.000 1.197 184 S CA 0.283 57.816 58.200 -1.111 0.000 0.851 184 S CB 0.797 63.729 63.200 -0.446 0.000 1.217 184 S HN 0.391 nan 8.310 nan 0.000 0.526 185 S N 0.343 115.646 115.700 -0.662 0.000 2.595 185 S HA -0.055 4.415 4.470 -0.001 0.000 0.235 185 S C 1.452 175.970 174.600 -0.137 0.000 0.974 185 S CA 0.385 58.439 58.200 -0.243 0.000 0.942 185 S CB -0.506 62.652 63.200 -0.071 0.000 0.766 185 S HN 0.548 nan 8.310 nan 0.000 0.536 186 Q N 1.651 121.347 119.800 -0.174 0.000 2.061 186 Q HA -0.025 4.315 4.340 -0.001 0.000 0.204 186 Q C 0.982 176.939 176.000 -0.072 0.000 0.984 186 Q CA 1.382 57.124 55.803 -0.101 0.000 0.846 186 Q CB -0.617 28.062 28.738 -0.098 0.000 0.902 186 Q HN 0.762 nan 8.270 nan 0.000 0.421 187 E N 1.798 121.959 120.200 -0.065 0.000 2.220 187 E HA 0.042 4.392 4.350 -0.001 0.000 0.272 187 E C -2.084 174.529 176.600 0.022 0.000 1.099 187 E CA -1.822 54.575 56.400 -0.005 0.000 0.907 187 E CB 1.026 30.769 29.700 0.072 0.000 1.022 187 E HN -0.086 nan 8.360 nan 0.000 0.428 188 P HA -0.122 nan 4.420 nan 0.000 0.234 188 P C -0.431 176.832 177.300 -0.062 0.000 1.162 188 P CA 0.980 64.002 63.100 -0.129 0.000 0.759 188 P CB 0.045 31.565 31.700 -0.300 0.000 0.813 189 Y N -2.939 117.449 120.300 0.145 0.000 2.555 189 Y HA 0.294 4.851 4.550 0.013 0.000 0.259 189 Y C 0.472 176.478 175.900 0.177 0.000 1.179 189 Y CA -1.813 56.371 58.100 0.141 0.000 1.230 189 Y CB -0.838 37.685 38.460 0.106 0.000 1.146 189 Y HN -0.104 nan 8.280 nan 0.000 0.526 190 F N 1.287 121.347 119.950 0.183 0.000 2.445 190 F HA 0.547 5.074 4.527 -0.001 0.000 0.359 190 F C 0.750 176.605 175.800 0.092 0.000 1.101 190 F CA 0.523 58.592 58.000 0.115 0.000 1.177 190 F CB 0.089 39.132 39.000 0.073 0.000 1.110 190 F HN 0.229 nan 8.300 nan 0.000 0.522 191 G N 4.853 113.325 108.800 -0.545 0.000 2.661 191 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.685 191 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.685 191 G C -0.126 174.678 174.900 -0.161 0.000 1.298 191 G CA -0.303 44.519 45.100 -0.463 0.000 0.855 191 G HN 0.710 nan 8.290 nan 0.000 0.560 192 Y N 0.378 120.649 120.300 -0.048 0.000 2.139 192 Y HA -0.150 4.397 4.550 -0.004 0.000 0.282 192 Y C 3.339 179.258 175.900 0.031 0.000 1.179 192 Y CA 2.509 60.602 58.100 -0.011 0.000 1.161 192 Y CB -0.497 37.920 38.460 -0.071 0.000 0.970 192 Y HN 0.447 nan 8.280 nan 0.000 0.511 193 S N -0.723 115.099 115.700 0.203 0.000 2.414 193 S HA -0.039 4.430 4.470 -0.001 0.000 0.227 193 S C 2.346 177.089 174.600 0.238 0.000 1.022 193 S CA 0.803 59.110 58.200 0.178 0.000 0.958 193 S CB -0.639 62.635 63.200 0.125 0.000 0.797 193 S HN 0.638 nan 8.310 nan 0.000 0.493 194 G N 1.367 110.310 108.800 0.239 0.000 2.402 194 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.216 194 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.216 194 G C 1.523 176.573 174.900 0.250 0.000 1.162 194 G CA 0.749 46.060 45.100 0.352 0.000 0.777 194 G HN 0.537 nan 8.290 nan 0.000 0.539 195 A N -0.067 122.837 122.820 0.140 0.000 2.024 195 A HA 0.060 4.379 4.320 -0.001 0.000 0.220 195 A C 2.075 179.674 177.584 0.024 0.000 1.164 195 A CA 1.373 53.430 52.037 0.034 0.000 0.643 195 A CB -0.427 18.601 19.000 0.047 0.000 0.806 195 A HN 0.407 nan 8.150 nan 0.000 0.451 196 F N -0.578 119.354 119.950 -0.030 0.000 2.387 196 F HA 0.135 4.659 4.527 -0.006 0.000 0.294 196 F C 1.982 177.760 175.800 -0.038 0.000 1.093 196 F CA 1.219 59.184 58.000 -0.058 0.000 1.420 196 F CB 0.209 39.171 39.000 -0.062 0.000 1.086 196 F HN -0.008 nan 8.300 nan 0.000 0.531 197 K N -0.018 120.499 120.400 0.195 0.000 2.031 197 K HA -0.144 4.176 4.320 -0.001 0.000 0.205 197 K C 2.343 178.909 176.600 -0.057 0.000 1.049 197 K CA 1.242 57.643 56.287 0.190 0.000 0.939 197 K CB -1.353 31.395 32.500 0.413 0.000 0.717 197 K HN 0.395 nan 8.250 nan 0.000 0.438 198 c N 0.663 118.954 118.600 -0.514 0.000 2.403 198 c HA -0.077 4.493 4.570 -0.001 0.000 0.282 198 c C 2.350 176.144 174.090 -0.493 0.000 1.297 198 c CA 0.796 56.440 56.329 -1.142 0.000 1.785 198 c CB -0.981 40.702 42.510 -1.379 0.000 1.963 198 c HN 0.484 nan 8.230 nan 0.000 0.507 199 L N 1.058 122.049 121.223 -0.387 0.000 2.071 199 L HA 0.115 4.455 4.340 -0.001 0.000 0.201 199 L C 2.525 179.225 176.870 -0.282 0.000 1.076 199 L CA 2.428 57.063 54.840 -0.341 0.000 0.755 199 L CB -1.394 40.407 42.059 -0.431 0.000 0.915 199 L HN 0.414 nan 8.230 nan 0.000 0.445 200 E N -0.149 119.829 120.200 -0.370 0.000 2.118 200 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 200 E C 1.224 177.793 176.600 -0.051 0.000 0.992 200 E CA 1.463 57.750 56.400 -0.188 0.000 0.804 200 E CB -0.181 29.391 29.700 -0.213 0.000 0.741 200 E HN 0.669 nan 8.360 nan 0.000 0.458 201 N N -0.332 118.351 118.700 -0.029 0.000 2.471 201 N HA 0.042 4.782 4.740 -0.001 0.000 0.205 201 N C 0.307 175.816 175.510 -0.001 0.000 1.251 201 N CA 0.192 53.261 53.050 0.031 0.000 0.843 201 N CB 0.340 38.898 38.487 0.120 0.000 1.044 201 N HN 0.228 nan 8.380 nan 0.000 0.461 202 G N 0.611 109.383 108.800 -0.047 0.000 2.356 202 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.296 202 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.296 202 G C 0.791 175.665 174.900 -0.044 0.000 1.022 202 G CA 0.470 45.540 45.100 -0.050 0.000 0.961 202 G HN 0.481 nan 8.290 nan 0.000 0.510 203 A N -1.279 121.495 122.820 -0.076 0.000 2.063 203 A HA 0.690 5.010 4.320 -0.001 0.000 0.211 203 A C 1.525 179.057 177.584 -0.088 0.000 1.177 203 A CA 1.739 53.740 52.037 -0.061 0.000 0.759 203 A CB 0.362 19.320 19.000 -0.071 0.000 0.857 203 A HN 1.827 nan 8.150 nan 0.000 0.468 204 G N -1.662 107.057 108.800 -0.134 0.000 2.798 204 G HA2 0.474 4.433 3.960 -0.001 0.000 0.286 204 G HA3 0.474 4.433 3.960 -0.001 0.000 0.286 204 G C -0.756 174.079 174.900 -0.108 0.000 1.389 204 G CA -0.024 44.999 45.100 -0.128 0.000 0.894 204 G HN -0.033 nan 8.290 nan 0.000 0.488 205 D N -1.327 119.021 120.400 -0.087 0.000 2.423 205 D HA 0.131 4.771 4.640 -0.001 0.000 0.208 205 D C 0.242 176.571 176.300 0.050 0.000 1.068 205 D CA 0.495 54.502 54.000 0.013 0.000 0.860 205 D CB 1.940 42.781 40.800 0.068 0.000 0.992 205 D HN 0.167 nan 8.370 nan 0.000 0.504 206 V N 0.247 120.084 119.914 -0.129 0.000 2.971 206 V HA 0.701 4.821 4.120 -0.001 0.000 0.309 206 V C -1.823 173.948 176.094 -0.539 0.000 1.130 206 V CA -0.732 61.410 62.300 -0.264 0.000 0.964 206 V CB 2.146 33.804 31.823 -0.274 0.000 1.029 206 V HN 0.064 nan 8.190 nan 0.000 0.427 207 A N 5.422 127.922 122.820 -0.532 0.000 2.343 207 A HA 0.862 5.182 4.320 -0.001 0.000 0.308 207 A C -1.405 175.910 177.584 -0.450 0.000 1.092 207 A CA -0.358 51.393 52.037 -0.477 0.000 0.751 207 A CB 0.970 19.844 19.000 -0.209 0.000 1.203 207 A HN 0.724 nan 8.150 nan 0.000 0.452 208 F N 2.948 122.830 119.950 -0.113 0.000 2.334 208 F HA 0.502 5.028 4.527 -0.001 0.000 0.367 208 F C 0.684 176.520 175.800 0.059 0.000 1.115 208 F CA -0.339 57.644 58.000 -0.028 0.000 1.116 208 F CB 1.221 40.165 39.000 -0.094 0.000 1.230 208 F HN 0.534 nan 8.300 nan 0.000 0.484 209 V N -0.647 119.438 119.914 0.284 0.000 3.087 209 V HA 0.589 4.709 4.120 -0.001 0.000 0.311 209 V C -0.410 175.914 176.094 0.383 0.000 1.333 209 V CA -1.376 61.126 62.300 0.337 0.000 1.054 209 V CB 1.476 33.472 31.823 0.287 0.000 1.123 209 V HN 0.400 nan 8.190 nan 0.000 0.473 210 K N 0.541 121.168 120.400 0.378 0.000 2.107 210 K HA 0.224 4.544 4.320 -0.001 0.000 0.251 210 K C 0.749 177.358 176.600 0.014 0.000 1.012 210 K CA 0.366 56.727 56.287 0.122 0.000 0.920 210 K CB 0.921 33.111 32.500 -0.518 0.000 1.033 210 K HN 0.969 nan 8.250 nan 0.000 0.478 211 D N -0.432 119.932 120.400 -0.059 0.000 2.309 211 D HA -0.152 4.488 4.640 -0.001 0.000 0.212 211 D C 1.214 177.340 176.300 -0.289 0.000 0.968 211 D CA 1.185 55.036 54.000 -0.249 0.000 0.882 211 D CB 0.034 40.439 40.800 -0.659 0.000 0.918 211 D HN 0.382 nan 8.370 nan 0.000 0.503 212 S N -1.659 113.884 115.700 -0.262 0.000 2.505 212 S HA 0.022 4.492 4.470 -0.001 0.000 0.216 212 S C 1.724 176.299 174.600 -0.042 0.000 1.018 212 S CA 0.139 58.275 58.200 -0.107 0.000 0.911 212 S CB -0.445 62.560 63.200 -0.325 0.000 0.818 212 S HN 0.110 nan 8.310 nan 0.000 0.497 213 T N 3.117 117.557 114.554 -0.189 0.000 2.714 213 T HA -0.148 4.202 4.350 -0.001 0.000 0.268 213 T C 1.769 176.194 174.700 -0.459 0.000 1.036 213 T CA 1.833 63.777 62.100 -0.260 0.000 1.148 213 T CB -0.788 67.995 68.868 -0.142 0.000 0.856 213 T HN 0.298 nan 8.240 nan 0.000 0.462 214 V N 0.920 120.570 119.914 -0.439 0.000 2.237 214 V HA -0.153 3.967 4.120 -0.001 0.000 0.245 214 V C 2.128 177.863 176.094 -0.599 0.000 1.046 214 V CA 1.887 63.748 62.300 -0.732 0.000 1.007 214 V CB -0.881 30.560 31.823 -0.637 0.000 0.638 214 V HN 0.460 nan 8.190 nan 0.000 0.445 215 F N 0.380 120.173 119.950 -0.261 0.000 2.269 215 F HA -0.131 4.395 4.527 -0.002 0.000 0.301 215 F C 2.405 178.076 175.800 -0.214 0.000 1.082 215 F CA 1.409 59.298 58.000 -0.186 0.000 1.360 215 F CB -0.681 38.249 39.000 -0.117 0.000 1.041 215 F HN 0.196 nan 8.300 nan 0.000 0.512 216 E N 0.012 120.166 120.200 -0.076 0.000 2.204 216 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 216 E C 1.600 178.094 176.600 -0.177 0.000 0.989 216 E CA 0.919 57.238 56.400 -0.136 0.000 0.824 216 E CB -0.154 29.437 29.700 -0.183 0.000 0.756 216 E HN 0.533 nan 8.360 nan 0.000 0.477 217 N N -0.389 118.127 118.700 -0.307 0.000 2.407 217 N HA 0.074 4.814 4.740 -0.001 0.000 0.182 217 N C 0.085 175.475 175.510 -0.200 0.000 1.079 217 N CA 0.236 53.111 53.050 -0.291 0.000 0.882 217 N CB 0.887 39.075 38.487 -0.497 0.000 1.106 217 N HN 0.048 nan 8.380 nan 0.000 0.461 218 L N 2.145 123.233 121.223 -0.225 0.000 2.506 218 L HA 0.363 4.703 4.340 -0.001 0.000 0.247 218 L C -1.993 174.847 176.870 -0.051 0.000 1.141 218 L CA -1.382 53.386 54.840 -0.120 0.000 0.973 218 L CB 1.491 43.462 42.059 -0.148 0.000 1.319 218 L HN -0.265 nan 8.230 nan 0.000 0.455 219 P HA -0.111 nan 4.420 nan 0.000 0.219 219 P C -0.115 177.203 177.300 0.031 0.000 1.146 219 P CA 1.193 64.302 63.100 0.016 0.000 0.808 219 P CB 0.214 31.917 31.700 0.005 0.000 0.779 220 D N -0.401 120.013 120.400 0.023 0.000 2.359 220 D HA 0.009 4.648 4.640 -0.001 0.000 0.230 220 D C 0.969 177.291 176.300 0.037 0.000 1.118 220 D CA -0.145 53.874 54.000 0.032 0.000 0.844 220 D CB 0.808 41.625 40.800 0.028 0.000 1.059 220 D HN 0.182 nan 8.370 nan 0.000 0.493 221 E N 2.436 122.665 120.200 0.048 0.000 2.352 221 E HA -0.297 4.053 4.350 -0.001 0.000 0.203 221 E C 1.420 178.047 176.600 0.045 0.000 1.024 221 E CA 1.147 57.578 56.400 0.052 0.000 0.842 221 E CB 0.292 30.027 29.700 0.059 0.000 0.753 221 E HN 0.527 nan 8.360 nan 0.000 0.508 222 A N 1.225 124.070 122.820 0.042 0.000 1.872 222 A HA -0.179 4.140 4.320 -0.001 0.000 0.214 222 A C 1.946 179.567 177.584 0.061 0.000 1.187 222 A CA 1.299 53.361 52.037 0.041 0.000 0.614 222 A CB -0.358 18.662 19.000 0.034 0.000 0.826 222 A HN 0.267 nan 8.150 nan 0.000 0.442 223 E N 0.382 120.625 120.200 0.071 0.000 2.070 223 E HA -0.256 4.094 4.350 -0.001 0.000 0.197 223 E C 2.135 178.850 176.600 0.192 0.000 1.004 223 E CA 1.494 57.966 56.400 0.120 0.000 0.805 223 E CB -0.461 29.291 29.700 0.087 0.000 0.744 223 E HN 0.613 nan 8.360 nan 0.000 0.451 224 R N 0.736 121.299 120.500 0.105 0.000 2.083 224 R HA -0.142 4.197 4.340 -0.001 0.000 0.237 224 R C 1.970 178.368 176.300 0.163 0.000 1.137 224 R CA 1.566 57.724 56.100 0.096 0.000 0.951 224 R CB -0.331 29.940 30.300 -0.048 0.000 0.851 224 R HN 0.127 nan 8.270 nan 0.000 0.434 225 D N 0.428 120.882 120.400 0.089 0.000 2.357 225 D HA -0.137 4.503 4.640 -0.001 0.000 0.216 225 D C 1.003 177.317 176.300 0.022 0.000 0.973 225 D CA 1.194 55.224 54.000 0.051 0.000 0.912 225 D CB 0.026 40.841 40.800 0.026 0.000 0.900 225 D HN 0.218 nan 8.370 nan 0.000 0.501 226 K N -0.837 119.585 120.400 0.038 0.000 2.487 226 K HA 0.043 4.363 4.320 -0.001 0.000 0.192 226 K C -0.331 175.994 176.600 -0.459 0.000 1.027 226 K CA 0.262 56.438 56.287 -0.184 0.000 1.054 226 K CB 0.337 32.703 32.500 -0.222 0.000 0.824 226 K HN 0.209 nan 8.250 nan 0.000 0.510 227 Y N 0.032 120.307 120.300 -0.043 0.000 2.602 227 Y HA 0.426 4.976 4.550 0.000 0.000 0.342 227 Y C 0.012 175.878 175.900 -0.055 0.000 1.029 227 Y CA -1.162 56.908 58.100 -0.051 0.000 1.080 227 Y CB 1.907 40.359 38.460 -0.015 0.000 1.284 227 Y HN -0.182 nan 8.280 nan 0.000 0.485 228 E N 0.324 120.579 120.200 0.093 0.000 2.458 228 E HA 0.620 4.970 4.350 -0.001 0.000 0.278 228 E C -1.878 174.745 176.600 0.038 0.000 1.004 228 E CA -0.930 55.487 56.400 0.029 0.000 0.823 228 E CB 2.786 32.460 29.700 -0.043 0.000 1.396 228 E HN 0.424 nan 8.360 nan 0.000 0.463 229 L N 1.941 123.182 121.223 0.030 0.000 2.362 229 L HA 0.448 4.788 4.340 -0.001 0.000 0.275 229 L C -0.717 176.168 176.870 0.026 0.000 0.998 229 L CA -0.754 54.118 54.840 0.053 0.000 0.820 229 L CB 1.253 43.370 42.059 0.097 0.000 1.270 229 L HN 0.340 nan 8.230 nan 0.000 0.415 230 L N 2.900 124.146 121.223 0.039 0.000 2.385 230 L HA 0.203 4.542 4.340 -0.001 0.000 0.281 230 L C -0.292 176.614 176.870 0.060 0.000 1.106 230 L CA -0.244 54.620 54.840 0.040 0.000 0.856 230 L CB 0.572 42.683 42.059 0.087 0.000 1.186 230 L HN 0.667 nan 8.230 nan 0.000 0.453 231 c N 5.124 123.742 118.600 0.029 0.000 2.466 231 c HA 0.233 4.803 4.570 -0.001 0.000 0.379 231 c C -0.395 173.707 174.090 0.020 0.000 1.251 231 c CA -0.950 55.387 56.329 0.014 0.000 2.263 231 c CB 0.886 43.390 42.510 -0.010 0.000 2.511 231 c HN 0.622 nan 8.230 nan 0.000 0.573 232 P HA -0.059 nan 4.420 nan 0.000 0.239 232 P C 0.278 177.590 177.300 0.019 0.000 1.184 232 P CA 1.364 64.475 63.100 0.019 0.000 0.760 232 P CB -0.027 31.668 31.700 -0.010 0.000 0.884 233 D N -0.975 119.429 120.400 0.006 0.000 2.643 233 D HA 0.002 4.642 4.640 -0.001 0.000 0.244 233 D C -0.074 176.235 176.300 0.015 0.000 1.257 233 D CA -0.882 53.124 54.000 0.009 0.000 0.831 233 D CB -1.174 39.621 40.800 -0.007 0.000 1.043 233 D HN -0.154 nan 8.370 nan 0.000 0.488 234 N N 0.877 119.593 118.700 0.026 0.000 2.714 234 N HA -0.162 4.577 4.740 -0.001 0.000 0.252 234 N C -0.397 175.117 175.510 0.007 0.000 1.014 234 N CA 1.627 54.692 53.050 0.024 0.000 0.735 234 N CB -1.487 37.021 38.487 0.034 0.000 0.924 234 N HN 0.720 nan 8.380 nan 0.000 0.540 235 T N -3.102 111.450 114.554 -0.002 0.000 2.864 235 T HA 0.703 5.052 4.350 -0.001 0.000 0.289 235 T C -0.087 174.599 174.700 -0.023 0.000 1.082 235 T CA -0.980 61.111 62.100 -0.015 0.000 1.009 235 T CB 2.642 71.501 68.868 -0.015 0.000 1.234 235 T HN 0.142 nan 8.240 nan 0.000 0.526 236 R N 0.450 120.929 120.500 -0.036 0.000 2.599 236 R HA 0.681 5.021 4.340 -0.001 0.000 0.295 236 R C -0.764 175.519 176.300 -0.028 0.000 0.963 236 R CA -0.901 55.173 56.100 -0.043 0.000 0.883 236 R CB 2.115 32.369 30.300 -0.078 0.000 1.171 236 R HN 0.587 nan 8.270 nan 0.000 0.450 237 K N 2.313 122.706 120.400 -0.013 0.000 2.443 237 K HA 0.448 4.768 4.320 -0.001 0.000 0.251 237 K C -2.565 174.043 176.600 0.013 0.000 0.972 237 K CA -2.110 54.174 56.287 -0.005 0.000 0.833 237 K CB 2.422 34.917 32.500 -0.007 0.000 1.317 237 K HN 0.316 nan 8.250 nan 0.000 0.441 238 P HA -0.081 nan 4.420 nan 0.000 0.267 238 P C 1.074 178.416 177.300 0.070 0.000 1.200 238 P CA -0.053 63.067 63.100 0.033 0.000 0.772 238 P CB 0.562 32.279 31.700 0.027 0.000 0.855 239 V N 0.251 120.207 119.914 0.070 0.000 2.636 239 V HA -0.267 3.853 4.120 -0.001 0.000 0.258 239 V C 1.341 177.632 176.094 0.329 0.000 1.092 239 V CA 2.359 64.716 62.300 0.094 0.000 1.110 239 V CB -1.983 29.759 31.823 -0.134 0.000 0.685 239 V HN 0.561 nan 8.190 nan 0.000 0.481 240 D N 0.954 121.539 120.400 0.309 0.000 2.339 240 D HA 0.343 4.982 4.640 -0.001 0.000 0.217 240 D C 1.303 177.552 176.300 -0.085 0.000 1.050 240 D CA 0.728 54.969 54.000 0.403 0.000 0.856 240 D CB 0.034 41.032 40.800 0.330 0.000 0.922 240 D HN 0.560 nan 8.370 nan 0.000 0.518 241 A N 0.383 123.164 122.820 -0.066 0.000 2.684 241 A HA 0.275 4.595 4.320 -0.001 0.000 0.288 241 A C 0.902 178.357 177.584 -0.215 0.000 1.337 241 A CA -0.661 51.254 52.037 -0.204 0.000 0.946 241 A CB -1.292 17.657 19.000 -0.086 0.000 1.093 241 A HN 0.379 nan 8.150 nan 0.000 0.543 242 F N -0.551 119.424 119.950 0.043 0.000 2.373 242 F HA -0.029 4.498 4.527 0.001 0.000 0.300 242 F C 1.499 177.178 175.800 -0.201 0.000 1.080 242 F CA 1.185 59.182 58.000 -0.005 0.000 1.417 242 F CB -0.513 38.524 39.000 0.062 0.000 1.070 242 F HN 0.126 nan 8.300 nan 0.000 0.546 243 K N 0.269 120.373 120.400 -0.493 0.000 2.211 243 K HA -0.099 4.221 4.320 -0.001 0.000 0.203 243 K C 1.588 178.143 176.600 -0.076 0.000 1.050 243 K CA 1.613 57.637 56.287 -0.437 0.000 0.945 243 K CB -0.123 32.194 32.500 -0.305 0.000 0.732 243 K HN 0.291 nan 8.250 nan 0.000 0.451 244 E N -0.791 119.370 120.200 -0.066 0.000 2.290 244 E HA 0.033 4.383 4.350 -0.001 0.000 0.197 244 E C -0.058 176.486 176.600 -0.094 0.000 0.948 244 E CA 0.314 56.683 56.400 -0.052 0.000 0.895 244 E CB 0.576 30.233 29.700 -0.072 0.000 0.865 244 E HN 0.075 nan 8.360 nan 0.000 0.486 245 c N 3.588 122.176 118.600 -0.021 0.000 2.328 245 c HA 0.298 4.867 4.570 -0.001 0.000 0.446 245 c C -0.780 173.356 174.090 0.077 0.000 1.090 245 c CA -0.472 55.850 56.329 -0.012 0.000 1.510 245 c CB -1.963 40.564 42.510 0.028 0.000 1.543 245 c HN 0.341 nan 8.230 nan 0.000 0.533 246 H N 1.898 120.979 119.070 0.019 0.000 2.747 246 H HA 0.340 4.895 4.556 -0.001 0.000 0.371 246 H C 0.241 175.632 175.328 0.105 0.000 1.161 246 H CA -0.976 55.121 56.048 0.082 0.000 1.167 246 H CB 0.789 30.590 29.762 0.065 0.000 1.732 246 H HN 0.234 nan 8.280 nan 0.000 0.544 247 L N 0.426 121.800 121.223 0.251 0.000 2.109 247 L HA 0.198 4.537 4.340 -0.001 0.000 0.207 247 L C 0.936 177.928 176.870 0.204 0.000 1.086 247 L CA 1.455 56.394 54.840 0.165 0.000 0.760 247 L CB -0.197 41.954 42.059 0.153 0.000 0.910 247 L HN 0.857 nan 8.230 nan 0.000 0.437 248 A N -0.732 122.300 122.820 0.355 0.000 2.522 248 A HA 0.485 4.805 4.320 -0.001 0.000 0.291 248 A C -1.074 176.699 177.584 0.314 0.000 1.039 248 A CA -0.660 51.584 52.037 0.345 0.000 0.643 248 A CB 0.938 20.029 19.000 0.152 0.000 1.310 248 A HN 0.049 nan 8.150 nan 0.000 0.436 249 R N 0.677 121.285 120.500 0.180 0.000 2.275 249 R HA 0.572 4.912 4.340 -0.001 0.000 0.326 249 R C -0.533 175.692 176.300 -0.124 0.000 0.973 249 R CA -0.285 55.780 56.100 -0.059 0.000 0.854 249 R CB 0.924 31.155 30.300 -0.115 0.000 1.156 249 R HN 1.081 nan 8.270 nan 0.000 0.487 250 V N 1.673 121.414 119.914 -0.287 0.000 2.966 250 V HA 0.732 4.852 4.120 -0.001 0.000 0.317 250 V C -2.366 173.466 176.094 -0.437 0.000 1.070 250 V CA -2.383 59.753 62.300 -0.274 0.000 1.008 250 V CB 1.515 33.174 31.823 -0.272 0.000 1.070 250 V HN 0.622 nan 8.190 nan 0.000 0.457 251 P HA 0.294 nan 4.420 nan 0.000 0.284 251 P C -0.226 177.075 177.300 0.001 0.000 1.258 251 P CA -0.166 62.765 63.100 -0.282 0.000 0.824 251 P CB 1.359 32.730 31.700 -0.548 0.000 1.038 252 S N 1.309 117.185 115.700 0.293 0.000 2.580 252 S HA 0.077 4.546 4.470 -0.001 0.000 0.266 252 S C 0.589 175.566 174.600 0.630 0.000 1.354 252 S CA -0.366 58.227 58.200 0.655 0.000 1.008 252 S CB -0.430 62.993 63.200 0.371 0.000 0.898 252 S HN 0.433 nan 8.310 nan 0.000 0.555 253 H N 0.264 119.634 119.070 0.499 0.000 2.836 253 H HA 0.446 5.001 4.556 -0.001 0.000 0.368 253 H C 0.403 175.944 175.328 0.355 0.000 1.164 253 H CA 0.408 56.697 56.048 0.402 0.000 1.425 253 H CB 0.491 30.491 29.762 0.397 0.000 1.414 253 H HN 0.860 nan 8.280 nan 0.000 0.614 254 A N 1.665 124.726 122.820 0.401 0.000 2.587 254 A HA 0.448 4.768 4.320 -0.001 0.000 0.293 254 A C -1.015 176.723 177.584 0.257 0.000 1.087 254 A CA -0.713 51.493 52.037 0.281 0.000 0.692 254 A CB 1.274 20.305 19.000 0.052 0.000 1.291 254 A HN 0.399 nan 8.150 nan 0.000 0.407 255 V N 1.602 121.657 119.914 0.235 0.000 2.383 255 V HA 0.510 4.630 4.120 -0.001 0.000 0.275 255 V C 0.427 176.536 176.094 0.025 0.000 1.036 255 V CA -0.401 62.008 62.300 0.182 0.000 0.889 255 V CB 0.672 32.650 31.823 0.258 0.000 0.985 255 V HN 1.086 nan 8.190 nan 0.000 0.459 256 V N 2.292 122.186 119.914 -0.034 0.000 2.713 256 V HA 1.060 5.179 4.120 -0.001 0.000 0.307 256 V C 0.068 176.102 176.094 -0.100 0.000 1.052 256 V CA -0.348 61.912 62.300 -0.067 0.000 0.967 256 V CB 1.433 33.224 31.823 -0.055 0.000 1.019 256 V HN 1.181 nan 8.190 nan 0.000 0.459 257 A N 3.373 126.144 122.820 -0.082 0.000 2.569 257 A HA 0.800 5.120 4.320 -0.001 0.000 0.290 257 A C -0.160 177.391 177.584 -0.056 0.000 1.136 257 A CA -1.251 50.739 52.037 -0.078 0.000 0.710 257 A CB 1.376 20.338 19.000 -0.064 0.000 1.303 257 A HN 0.945 nan 8.150 nan 0.000 0.413 258 R N 0.062 120.535 120.500 -0.045 0.000 2.861 258 R HA 0.242 4.582 4.340 -0.001 0.000 0.268 258 R C 0.728 177.008 176.300 -0.034 0.000 1.027 258 R CA 0.462 56.543 56.100 -0.031 0.000 1.163 258 R CB 0.246 30.531 30.300 -0.026 0.000 1.060 258 R HN 0.692 nan 8.270 nan 0.000 0.483 259 S N -0.137 115.544 115.700 -0.031 0.000 2.458 259 S HA 0.043 4.512 4.470 -0.001 0.000 0.223 259 S C 0.407 174.988 174.600 -0.031 0.000 1.019 259 S CA 0.168 58.348 58.200 -0.034 0.000 0.937 259 S CB 0.612 63.792 63.200 -0.033 0.000 0.788 259 S HN 0.246 nan 8.310 nan 0.000 0.511 260 V N 3.025 122.921 119.914 -0.029 0.000 2.444 260 V HA 0.334 4.454 4.120 -0.001 0.000 0.294 260 V C -1.171 174.909 176.094 -0.022 0.000 1.022 260 V CA -0.701 61.584 62.300 -0.025 0.000 0.850 260 V CB 1.315 33.123 31.823 -0.024 0.000 0.992 260 V HN 0.226 nan 8.190 nan 0.000 0.426 261 D N 4.171 124.559 120.400 -0.019 0.000 2.828 261 D HA -0.141 4.499 4.640 -0.001 0.000 0.241 261 D C 1.032 177.322 176.300 -0.017 0.000 1.142 261 D CA 1.328 55.319 54.000 -0.015 0.000 0.755 261 D CB -0.748 40.044 40.800 -0.013 0.000 1.014 261 D HN 0.876 nan 8.370 nan 0.000 0.420 262 G N 0.101 108.890 108.800 -0.019 0.000 3.159 262 G HA2 0.094 4.053 3.960 -0.001 0.000 0.232 262 G HA3 0.094 4.053 3.960 -0.001 0.000 0.232 262 G C 0.621 175.513 174.900 -0.013 0.000 1.116 262 G CA -0.024 45.063 45.100 -0.022 0.000 0.767 262 G HN 0.360 nan 8.290 nan 0.000 0.547 263 R N 0.224 120.722 120.500 -0.005 0.000 3.423 263 R HA -0.184 4.156 4.340 -0.001 0.000 0.271 263 R C 1.092 177.406 176.300 0.023 0.000 1.093 263 R CA 0.800 56.906 56.100 0.010 0.000 0.730 263 R CB -2.034 28.275 30.300 0.014 0.000 1.190 263 R HN 0.536 nan 8.270 nan 0.000 0.437 264 E N 1.141 121.349 120.200 0.012 0.000 2.049 264 E HA -0.259 4.090 4.350 -0.001 0.000 0.198 264 E C 1.190 177.838 176.600 0.081 0.000 1.007 264 E CA 2.167 58.581 56.400 0.023 0.000 0.809 264 E CB -0.120 29.570 29.700 -0.018 0.000 0.749 264 E HN 0.651 nan 8.360 nan 0.000 0.450 265 D N 0.651 121.095 120.400 0.075 0.000 2.264 265 D HA -0.148 4.492 4.640 -0.001 0.000 0.208 265 D C 1.766 178.142 176.300 0.127 0.000 0.966 265 D CA 0.575 54.650 54.000 0.126 0.000 0.864 265 D CB -0.272 40.576 40.800 0.080 0.000 0.933 265 D HN 0.078 nan 8.370 nan 0.000 0.499 266 L N 0.339 121.613 121.223 0.086 0.000 2.027 266 L HA -0.012 4.328 4.340 -0.001 0.000 0.206 266 L C 2.420 179.353 176.870 0.104 0.000 1.074 266 L CA 1.137 56.021 54.840 0.073 0.000 0.745 266 L CB -0.466 41.626 42.059 0.055 0.000 0.898 266 L HN 0.084 nan 8.230 nan 0.000 0.433 267 I N -1.699 118.950 120.570 0.131 0.000 2.163 267 I HA -0.390 3.780 4.170 -0.001 0.000 0.243 267 I C 2.415 178.661 176.117 0.214 0.000 1.085 267 I CA 1.767 63.175 61.300 0.180 0.000 1.347 267 I CB -0.529 37.559 38.000 0.146 0.000 1.044 267 I HN 0.515 nan 8.210 nan 0.000 0.408 268 W N 2.568 123.876 121.300 0.015 0.000 2.402 268 W HA -0.189 4.471 4.660 -0.001 0.000 0.286 268 W C 2.328 178.869 176.519 0.036 0.000 1.221 268 W CA 1.152 58.498 57.345 0.003 0.000 1.257 268 W CB 0.032 29.484 29.460 -0.013 0.000 1.120 268 W HN 0.094 nan 8.180 nan 0.000 0.551 269 K N 0.200 120.585 120.400 -0.024 0.000 2.026 269 K HA -0.249 4.071 4.320 -0.001 0.000 0.208 269 K C 1.979 178.492 176.600 -0.144 0.000 1.048 269 K CA 1.640 57.843 56.287 -0.141 0.000 0.929 269 K CB -0.800 31.680 32.500 -0.034 0.000 0.713 269 K HN 0.082 nan 8.250 nan 0.000 0.439 270 L N 1.791 122.991 121.223 -0.040 0.000 1.971 270 L HA -0.210 4.129 4.340 -0.001 0.000 0.215 270 L C 1.970 178.822 176.870 -0.030 0.000 1.072 270 L CA 1.700 56.548 54.840 0.014 0.000 0.758 270 L CB -0.640 41.493 42.059 0.125 0.000 0.889 270 L HN 0.144 nan 8.230 nan 0.000 0.433 271 L N -1.169 119.979 121.223 -0.125 0.000 2.042 271 L HA -0.266 4.073 4.340 -0.001 0.000 0.210 271 L C 2.741 179.372 176.870 -0.399 0.000 1.076 271 L CA 1.615 56.268 54.840 -0.311 0.000 0.749 271 L CB -1.132 40.609 42.059 -0.530 0.000 0.893 271 L HN 0.503 nan 8.230 nan 0.000 0.432 272 H N 0.537 119.136 119.070 -0.786 0.000 2.352 272 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 272 H C 2.432 177.560 175.328 -0.333 0.000 1.097 272 H CA 1.601 57.207 56.048 -0.736 0.000 1.311 272 H CB 0.243 29.446 29.762 -0.932 0.000 1.377 272 H HN 0.134 nan 8.280 nan 0.000 0.504 273 R N 0.368 120.805 120.500 -0.105 0.000 2.075 273 R HA -0.015 4.324 4.340 -0.001 0.000 0.232 273 R C 2.474 178.724 176.300 -0.084 0.000 1.126 273 R CA 0.974 57.033 56.100 -0.069 0.000 0.963 273 R CB -0.836 29.443 30.300 -0.034 0.000 0.858 273 R HN 0.397 nan 8.270 nan 0.000 0.435 274 A N 1.386 124.216 122.820 0.017 0.000 1.883 274 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 274 A C 2.159 179.748 177.584 0.007 0.000 1.186 274 A CA 1.492 53.626 52.037 0.161 0.000 0.624 274 A CB -0.481 18.653 19.000 0.224 0.000 0.822 274 A HN 0.405 nan 8.150 nan 0.000 0.444 275 Q N -0.820 118.958 119.800 -0.036 0.000 2.030 275 Q HA -0.251 4.089 4.340 -0.001 0.000 0.204 275 Q C 2.162 178.112 176.000 -0.083 0.000 0.986 275 Q CA 1.633 57.448 55.803 0.020 0.000 0.843 275 Q CB -0.341 28.397 28.738 -0.001 0.000 0.904 275 Q HN 0.847 nan 8.270 nan 0.000 0.420 276 E N 0.508 120.597 120.200 -0.186 0.000 2.160 276 E HA -0.244 4.106 4.350 -0.001 0.000 0.195 276 E C 1.512 177.973 176.600 -0.232 0.000 0.991 276 E CA 1.162 57.444 56.400 -0.196 0.000 0.810 276 E CB 0.214 29.795 29.700 -0.199 0.000 0.742 276 E HN 0.178 nan 8.360 nan 0.000 0.466 277 E N -1.524 118.449 120.200 -0.378 0.000 2.364 277 E HA 0.041 4.391 4.350 -0.001 0.000 0.196 277 E C 0.187 176.273 176.600 -0.857 0.000 0.990 277 E CA 0.454 56.418 56.400 -0.728 0.000 0.886 277 E CB 0.343 29.360 29.700 -1.137 0.000 0.866 277 E HN 0.228 nan 8.360 nan 0.000 0.493 278 F N -1.974 117.957 119.950 -0.031 0.000 2.899 278 F HA 0.437 4.967 4.527 0.005 0.000 0.337 278 F C 1.091 176.790 175.800 -0.168 0.000 1.129 278 F CA -0.151 57.783 58.000 -0.110 0.000 1.128 278 F CB 0.111 39.022 39.000 -0.148 0.000 1.154 278 F HN -0.028 nan 8.300 nan 0.000 0.531 279 G N 0.521 109.358 108.800 0.062 0.000 2.711 279 G HA2 0.095 4.054 3.960 -0.001 0.000 0.186 279 G HA3 0.095 4.054 3.960 -0.001 0.000 0.186 279 G C 0.269 175.228 174.900 0.100 0.000 1.635 279 G CA -0.574 44.624 45.100 0.162 0.000 1.065 279 G HN -0.056 nan 8.290 nan 0.000 0.545 280 R N 1.243 121.776 120.500 0.056 0.000 2.561 280 R HA -0.064 4.276 4.340 -0.001 0.000 0.347 280 R C 0.553 176.849 176.300 -0.007 0.000 0.916 280 R CA 0.329 56.427 56.100 -0.003 0.000 1.063 280 R CB -1.136 29.134 30.300 -0.049 0.000 0.916 280 R HN 0.657 nan 8.270 nan 0.000 0.410 281 N N 1.963 120.661 118.700 -0.003 0.000 2.685 281 N HA -0.238 4.502 4.740 -0.001 0.000 0.251 281 N C 0.475 175.985 175.510 0.000 0.000 1.020 281 N CA 0.947 53.996 53.050 -0.002 0.000 0.762 281 N CB -0.010 38.472 38.487 -0.009 0.000 0.958 281 N HN 0.420 nan 8.380 nan 0.000 0.539 282 K N -0.853 119.548 120.400 0.003 0.000 2.007 282 K HA 0.078 4.398 4.320 -0.001 0.000 0.206 282 K C 1.174 177.783 176.600 0.015 0.000 1.047 282 K CA 0.894 57.172 56.287 -0.015 0.000 0.937 282 K CB -0.422 32.044 32.500 -0.056 0.000 0.718 282 K HN 0.303 nan 8.250 nan 0.000 0.438 283 S N -0.981 114.762 115.700 0.072 0.000 2.753 283 S HA 0.328 4.798 4.470 -0.001 0.000 0.302 283 S C 0.714 175.372 174.600 0.097 0.000 1.104 283 S CA 0.014 58.292 58.200 0.131 0.000 0.968 283 S CB 1.342 64.744 63.200 0.337 0.000 1.278 283 S HN 0.268 nan 8.310 nan 0.000 0.549 284 S N -0.670 115.097 115.700 0.112 0.000 2.590 284 S HA 0.285 4.754 4.470 -0.001 0.000 0.281 284 S C 1.701 176.355 174.600 0.090 0.000 1.068 284 S CA 0.552 58.794 58.200 0.071 0.000 1.193 284 S CB -0.752 62.479 63.200 0.051 0.000 1.040 284 S HN 0.912 nan 8.310 nan 0.000 0.544 285 A N 1.125 124.025 122.820 0.134 0.000 2.024 285 A HA 0.417 4.737 4.320 -0.001 0.000 0.220 285 A C 0.545 178.220 177.584 0.151 0.000 1.164 285 A CA 1.276 53.391 52.037 0.130 0.000 0.643 285 A CB -0.433 18.664 19.000 0.162 0.000 0.806 285 A HN 0.975 nan 8.150 nan 0.000 0.451 286 F N -1.750 118.151 119.950 -0.081 0.000 2.690 286 F HA 0.524 5.046 4.527 -0.007 0.000 0.311 286 F C -2.280 173.432 175.800 -0.146 0.000 1.111 286 F CA -1.480 56.384 58.000 -0.226 0.000 1.003 286 F CB 0.898 39.556 39.000 -0.571 0.000 1.283 286 F HN 0.016 nan 8.300 nan 0.000 0.442 287 Q N 5.585 124.900 119.800 -0.808 0.000 2.310 287 Q HA 0.480 4.820 4.340 -0.001 0.000 0.270 287 Q C 0.041 175.329 176.000 -1.186 0.000 1.025 287 Q CA -0.718 54.682 55.803 -0.672 0.000 0.772 287 Q CB 2.079 30.647 28.738 -0.284 0.000 1.253 287 Q HN 0.721 nan 8.270 nan 0.000 0.450 288 L N 1.398 122.002 121.223 -1.033 0.000 2.044 288 L HA 0.155 4.494 4.340 -0.001 0.000 0.205 288 L C 0.235 176.594 176.870 -0.851 0.000 1.075 288 L CA 1.738 55.901 54.840 -1.127 0.000 0.747 288 L CB 0.042 41.426 42.059 -1.125 0.000 0.903 288 L HN 0.740 nan 8.230 nan 0.000 0.435 289 F N 0.324 120.104 119.950 -0.283 0.000 2.954 289 F HA 0.551 5.077 4.527 -0.001 0.000 0.300 289 F C 0.840 176.557 175.800 -0.139 0.000 1.206 289 F CA -0.126 57.770 58.000 -0.173 0.000 1.345 289 F CB -0.456 38.432 39.000 -0.187 0.000 1.206 289 F HN 0.058 nan 8.300 nan 0.000 0.537 290 G N -0.880 107.879 108.800 -0.069 0.000 2.706 290 G HA2 0.627 4.587 3.960 -0.001 0.000 0.297 290 G HA3 0.627 4.587 3.960 -0.001 0.000 0.297 290 G C -1.122 173.754 174.900 -0.040 0.000 1.403 290 G CA -0.509 44.563 45.100 -0.046 0.000 0.954 290 G HN 0.127 nan 8.290 nan 0.000 0.500 291 S N -1.307 114.390 115.700 -0.006 0.000 2.903 291 S HA 0.825 5.295 4.470 -0.001 0.000 0.314 291 S C 0.268 174.877 174.600 0.015 0.000 1.177 291 S CA -0.257 57.950 58.200 0.013 0.000 0.859 291 S CB 1.274 64.492 63.200 0.030 0.000 1.265 291 S HN 1.233 nan 8.310 nan 0.000 0.584 292 T N -0.375 114.193 114.554 0.023 0.000 2.881 292 T HA 0.493 4.843 4.350 -0.001 0.000 0.278 292 T C -2.400 172.315 174.700 0.024 0.000 0.982 292 T CA -1.445 60.668 62.100 0.021 0.000 0.989 292 T CB 0.606 69.486 68.868 0.021 0.000 1.058 292 T HN 0.219 nan 8.240 nan 0.000 0.529 293 P HA 0.194 nan 4.420 nan 0.000 0.224 293 P C 1.833 179.154 177.300 0.034 0.000 1.159 293 P CA 0.504 63.620 63.100 0.027 0.000 0.824 293 P CB -0.317 31.397 31.700 0.022 0.000 0.833 294 G N -0.076 108.741 108.800 0.028 0.000 2.476 294 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.218 294 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.218 294 G C 0.239 175.162 174.900 0.037 0.000 1.164 294 G CA 0.884 45.999 45.100 0.026 0.000 0.768 294 G HN 0.292 nan 8.290 nan 0.000 0.560 295 E N -0.667 119.558 120.200 0.041 0.000 2.292 295 E HA 0.443 4.792 4.350 -0.001 0.000 0.272 295 E C -0.497 176.144 176.600 0.069 0.000 0.881 295 E CA -0.493 55.943 56.400 0.061 0.000 0.754 295 E CB 1.995 31.722 29.700 0.045 0.000 1.201 295 E HN 0.279 nan 8.360 nan 0.000 0.425 296 Q N 1.137 120.995 119.800 0.097 0.000 2.576 296 Q HA 0.335 4.675 4.340 -0.001 0.000 0.249 296 Q C -0.682 175.389 176.000 0.119 0.000 1.041 296 Q CA -0.978 54.879 55.803 0.090 0.000 0.928 296 Q CB 0.894 29.678 28.738 0.077 0.000 1.302 296 Q HN 0.508 nan 8.270 nan 0.000 0.504 297 D N 0.748 121.210 120.400 0.104 0.000 2.704 297 D HA -0.185 4.454 4.640 -0.001 0.000 0.232 297 D C -0.703 175.674 176.300 0.128 0.000 1.183 297 D CA 0.761 54.838 54.000 0.128 0.000 0.647 297 D CB -1.318 39.588 40.800 0.176 0.000 1.013 297 D HN 0.329 nan 8.370 nan 0.000 0.415 298 L N 0.345 121.618 121.223 0.083 0.000 2.319 298 L HA 0.222 4.561 4.340 -0.001 0.000 0.280 298 L C 2.066 178.915 176.870 -0.034 0.000 1.099 298 L CA -0.518 54.346 54.840 0.041 0.000 0.828 298 L CB 0.850 42.926 42.059 0.028 0.000 1.150 298 L HN 0.229 nan 8.230 nan 0.000 0.442 299 L N 1.331 122.487 121.223 -0.110 0.000 3.530 299 L HA -0.371 3.969 4.340 -0.001 0.000 0.357 299 L C -0.161 176.285 176.870 -0.707 0.000 2.051 299 L CA 1.609 56.186 54.840 -0.438 0.000 2.804 299 L CB -1.056 40.617 42.059 -0.643 0.000 1.640 299 L HN 0.456 nan 8.230 nan 0.000 0.757 300 F N -1.451 118.573 119.950 0.124 0.000 2.790 300 F HA 0.569 5.097 4.527 0.000 0.000 0.337 300 F C 0.253 176.153 175.800 0.167 0.000 1.163 300 F CA -0.938 57.185 58.000 0.204 0.000 0.997 300 F CB 0.628 39.745 39.000 0.195 0.000 1.437 300 F HN -0.291 nan 8.300 nan 0.000 0.512 301 K N 1.494 122.127 120.400 0.388 0.000 2.310 301 K HA 0.200 4.520 4.320 -0.001 0.000 0.290 301 K C -1.180 175.523 176.600 0.171 0.000 1.077 301 K CA -0.208 56.178 56.287 0.166 0.000 0.922 301 K CB -0.252 32.283 32.500 0.058 0.000 1.057 301 K HN 0.325 nan 8.250 nan 0.000 0.479 302 D N 3.140 123.597 120.400 0.095 0.000 2.586 302 D HA -0.060 4.580 4.640 -0.001 0.000 0.234 302 D C -0.139 176.155 176.300 -0.011 0.000 1.132 302 D CA 0.928 54.969 54.000 0.068 0.000 0.860 302 D CB 0.251 41.060 40.800 0.014 0.000 1.159 302 D HN 0.672 nan 8.370 nan 0.000 0.490 303 S N -0.867 114.837 115.700 0.006 0.000 3.593 303 S HA -0.163 4.307 4.470 -0.001 0.000 0.301 303 S C 0.313 174.776 174.600 -0.228 0.000 1.209 303 S CA 0.478 58.615 58.200 -0.105 0.000 0.878 303 S CB -1.462 61.671 63.200 -0.112 0.000 1.000 303 S HN 0.815 nan 8.310 nan 0.000 0.578 304 A N 0.370 122.950 122.820 -0.400 0.000 2.371 304 A HA 0.654 4.974 4.320 -0.001 0.000 0.257 304 A C 1.257 178.295 177.584 -0.911 0.000 1.089 304 A CA -0.275 51.404 52.037 -0.596 0.000 0.794 304 A CB 0.236 18.725 19.000 -0.851 0.000 1.029 304 A HN 0.425 nan 8.150 nan 0.000 0.488 305 L N 1.330 122.172 121.223 -0.635 0.000 2.217 305 L HA 0.176 4.515 4.340 -0.001 0.000 0.211 305 L C 1.514 178.010 176.870 -0.623 0.000 1.107 305 L CA 1.254 55.789 54.840 -0.508 0.000 0.783 305 L CB -0.517 41.365 42.059 -0.294 0.000 0.919 305 L HN 1.024 nan 8.230 nan 0.000 0.442 306 G N -1.512 106.780 108.800 -0.847 0.000 2.591 306 G HA2 0.150 4.110 3.960 -0.001 0.000 0.104 306 G HA3 0.150 4.110 3.960 -0.001 0.000 0.104 306 G C -1.519 172.962 174.900 -0.699 0.000 1.097 306 G CA -0.703 44.001 45.100 -0.660 0.000 1.076 306 G HN -0.092 nan 8.290 nan 0.000 0.485 307 F N -0.422 119.538 119.950 0.018 0.000 2.662 307 F HA 0.726 5.251 4.527 -0.002 0.000 0.312 307 F C -0.019 175.924 175.800 0.239 0.000 1.113 307 F CA -0.705 57.386 58.000 0.150 0.000 0.951 307 F CB 2.360 41.555 39.000 0.324 0.000 1.344 307 F HN 0.677 nan 8.300 nan 0.000 0.462 308 V N -0.628 119.539 119.914 0.422 0.000 2.709 308 V HA 0.645 4.765 4.120 -0.001 0.000 0.308 308 V C -0.673 175.381 176.094 -0.067 0.000 1.062 308 V CA -1.040 61.395 62.300 0.225 0.000 0.901 308 V CB 1.794 33.762 31.823 0.242 0.000 1.003 308 V HN 0.859 nan 8.190 nan 0.000 0.425 309 R N 2.809 122.997 120.500 -0.521 0.000 2.490 309 R HA 0.568 4.907 4.340 -0.001 0.000 0.280 309 R C -0.732 175.206 176.300 -0.603 0.000 1.077 309 R CA -0.417 55.160 56.100 -0.870 0.000 1.065 309 R CB 0.801 30.324 30.300 -1.295 0.000 1.003 309 R HN 0.835 nan 8.270 nan 0.000 0.470 310 I N 6.445 126.658 120.570 -0.596 0.000 2.331 310 I HA 0.253 4.422 4.170 -0.001 0.000 0.292 310 I C -1.814 173.948 176.117 -0.591 0.000 0.998 310 I CA -2.328 58.495 61.300 -0.794 0.000 1.267 310 I CB 1.567 39.181 38.000 -0.642 0.000 1.386 310 I HN 0.420 nan 8.210 nan 0.000 0.476 311 P HA -0.013 nan 4.420 nan 0.000 0.272 311 P C 0.306 177.456 177.300 -0.249 0.000 1.239 311 P CA 0.271 63.170 63.100 -0.335 0.000 0.807 311 P CB 0.532 32.079 31.700 -0.255 0.000 0.951 312 S N -0.747 114.855 115.700 -0.165 0.000 2.486 312 S HA -0.072 4.397 4.470 -0.001 0.000 0.220 312 S C 1.672 176.224 174.600 -0.082 0.000 1.011 312 S CA 0.286 58.413 58.200 -0.122 0.000 0.921 312 S CB -0.277 62.862 63.200 -0.102 0.000 0.785 312 S HN 0.568 nan 8.310 nan 0.000 0.517 313 Q N 1.234 120.997 119.800 -0.062 0.000 2.172 313 Q HA 0.046 4.386 4.340 -0.001 0.000 0.200 313 Q C 0.154 176.138 176.000 -0.027 0.000 0.964 313 Q CA 0.610 56.393 55.803 -0.034 0.000 0.855 313 Q CB -0.189 28.540 28.738 -0.016 0.000 0.918 313 Q HN 0.438 nan 8.270 nan 0.000 0.444 314 I N 3.895 124.444 120.570 -0.035 0.000 2.943 314 I HA -0.144 4.026 4.170 -0.001 0.000 0.296 314 I C -0.033 176.077 176.117 -0.012 0.000 1.220 314 I CA 0.008 61.304 61.300 -0.006 0.000 1.409 314 I CB -0.210 37.776 38.000 -0.023 0.000 1.374 314 I HN 0.334 nan 8.210 nan 0.000 0.545 315 D N 3.966 124.386 120.400 0.033 0.000 2.506 315 D HA 0.220 4.860 4.640 -0.001 0.000 0.254 315 D C 0.967 177.325 176.300 0.096 0.000 1.089 315 D CA -0.542 53.477 54.000 0.032 0.000 1.050 315 D CB 0.833 41.648 40.800 0.025 0.000 1.221 315 D HN 0.440 nan 8.370 nan 0.000 0.589 316 S N -0.507 115.248 115.700 0.091 0.000 2.365 316 S HA -0.171 4.299 4.470 -0.001 0.000 0.225 316 S C 2.123 176.838 174.600 0.191 0.000 1.039 316 S CA 1.439 59.738 58.200 0.166 0.000 1.033 316 S CB -1.510 61.755 63.200 0.108 0.000 0.887 316 S HN 0.740 nan 8.310 nan 0.000 0.447 317 G N 1.726 110.603 108.800 0.129 0.000 2.446 317 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.217 317 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.217 317 G C 1.484 176.459 174.900 0.125 0.000 1.168 317 G CA 0.970 46.148 45.100 0.129 0.000 0.771 317 G HN 0.492 nan 8.290 nan 0.000 0.551 318 L N -1.045 120.252 121.223 0.124 0.000 2.141 318 L HA -0.016 4.324 4.340 -0.001 0.000 0.209 318 L C 2.576 179.547 176.870 0.169 0.000 1.094 318 L CA 0.844 55.757 54.840 0.123 0.000 0.763 318 L CB -0.314 41.814 42.059 0.114 0.000 0.908 318 L HN 0.309 nan 8.230 nan 0.000 0.437 319 Y N 0.738 121.084 120.300 0.077 0.000 2.145 319 Y HA -0.231 4.318 4.550 -0.001 0.000 0.286 319 Y C 2.252 178.187 175.900 0.058 0.000 1.145 319 Y CA 1.468 59.626 58.100 0.096 0.000 1.148 319 Y CB -0.270 38.238 38.460 0.079 0.000 0.981 319 Y HN 0.004 nan 8.280 nan 0.000 0.507 320 L N -0.621 120.527 121.223 -0.126 0.000 2.044 320 L HA 0.126 4.465 4.340 -0.001 0.000 0.205 320 L C 1.351 178.161 176.870 -0.101 0.000 1.075 320 L CA 0.928 55.627 54.840 -0.235 0.000 0.747 320 L CB -1.166 40.883 42.059 -0.017 0.000 0.903 320 L HN 0.458 nan 8.230 nan 0.000 0.435 321 G N -2.045 106.762 108.800 0.012 0.000 2.541 321 G HA2 0.003 3.963 3.960 -0.001 0.000 0.686 321 G HA3 0.003 3.963 3.960 -0.001 0.000 0.686 321 G C 0.248 175.192 174.900 0.074 0.000 1.286 321 G CA -0.228 44.890 45.100 0.030 0.000 0.894 321 G HN 0.180 nan 8.290 nan 0.000 0.575 322 A N -0.034 122.817 122.820 0.052 0.000 1.840 322 A HA 0.059 4.378 4.320 -0.001 0.000 0.214 322 A C 2.273 179.891 177.584 0.056 0.000 1.198 322 A CA 2.428 54.495 52.037 0.051 0.000 0.608 322 A CB -0.780 18.236 19.000 0.026 0.000 0.839 322 A HN 0.996 nan 8.150 nan 0.000 0.443 323 N N -0.960 117.767 118.700 0.045 0.000 2.049 323 N HA -0.247 4.493 4.740 -0.001 0.000 0.198 323 N C 1.547 177.083 175.510 0.043 0.000 1.030 323 N CA 2.110 55.181 53.050 0.035 0.000 0.870 323 N CB -0.779 37.729 38.487 0.036 0.000 1.045 323 N HN 0.650 nan 8.380 nan 0.000 0.434 324 Y N 1.012 121.293 120.300 -0.032 0.000 2.200 324 Y HA 0.015 4.564 4.550 -0.001 0.000 0.290 324 Y C 2.155 178.037 175.900 -0.030 0.000 1.137 324 Y CA 1.125 59.200 58.100 -0.043 0.000 1.163 324 Y CB -0.365 38.058 38.460 -0.062 0.000 0.988 324 Y HN 0.017 nan 8.280 nan 0.000 0.518 325 L N -0.349 121.009 121.223 0.226 0.000 2.012 325 L HA -0.301 4.039 4.340 -0.001 0.000 0.210 325 L C 2.626 179.537 176.870 0.068 0.000 1.073 325 L CA 2.239 57.199 54.840 0.200 0.000 0.748 325 L CB -1.186 40.995 42.059 0.204 0.000 0.891 325 L HN 0.436 nan 8.230 nan 0.000 0.431 326 T N -2.224 112.347 114.554 0.029 0.000 2.595 326 T HA -0.254 4.096 4.350 -0.001 0.000 0.264 326 T C 1.944 176.604 174.700 -0.065 0.000 1.058 326 T CA 1.213 63.310 62.100 -0.006 0.000 1.166 326 T CB -0.764 68.097 68.868 -0.012 0.000 0.863 326 T HN 0.335 nan 8.240 nan 0.000 0.415 327 A N 1.731 124.475 122.820 -0.126 0.000 1.958 327 A HA -0.140 4.180 4.320 -0.001 0.000 0.221 327 A C 2.645 180.090 177.584 -0.230 0.000 1.178 327 A CA 2.617 54.543 52.037 -0.185 0.000 0.642 327 A CB -1.647 17.200 19.000 -0.254 0.000 0.816 327 A HN 0.674 nan 8.150 nan 0.000 0.453 328 T N -0.285 114.076 114.554 -0.321 0.000 2.812 328 T HA -0.126 4.224 4.350 -0.001 0.000 0.264 328 T C 2.003 176.560 174.700 -0.238 0.000 1.042 328 T CA 1.516 63.380 62.100 -0.392 0.000 1.140 328 T CB -0.237 68.225 68.868 -0.676 0.000 0.870 328 T HN 0.645 nan 8.240 nan 0.000 0.445 329 Q N 0.870 120.614 119.800 -0.093 0.000 2.167 329 Q HA -0.008 4.332 4.340 -0.001 0.000 0.202 329 Q C 2.233 178.252 176.000 0.033 0.000 0.970 329 Q CA 0.842 56.679 55.803 0.058 0.000 0.855 329 Q CB -0.236 28.574 28.738 0.119 0.000 0.911 329 Q HN 0.610 nan 8.270 nan 0.000 0.438 330 N N 0.448 119.141 118.700 -0.011 0.000 2.120 330 N HA -0.119 4.621 4.740 -0.001 0.000 0.188 330 N C 1.514 177.057 175.510 0.055 0.000 1.024 330 N CA 0.713 53.764 53.050 0.002 0.000 0.852 330 N CB -0.014 38.455 38.487 -0.031 0.000 1.003 330 N HN 0.220 nan 8.380 nan 0.000 0.424 331 L N 1.155 122.408 121.223 0.049 0.000 2.549 331 L HA -0.054 4.286 4.340 -0.001 0.000 0.229 331 L C 1.482 178.514 176.870 0.270 0.000 1.158 331 L CA 0.556 55.489 54.840 0.155 0.000 0.842 331 L CB -0.346 41.729 42.059 0.027 0.000 0.952 331 L HN 0.287 nan 8.230 nan 0.000 0.452 332 R N -0.316 120.285 120.500 0.168 0.000 2.613 332 R HA 0.334 4.673 4.340 -0.001 0.000 0.361 332 R C -0.397 175.963 176.300 0.100 0.000 1.072 332 R CA -0.071 56.132 56.100 0.173 0.000 1.089 332 R CB 0.350 30.747 30.300 0.161 0.000 1.343 332 R HN 0.284 nan 8.270 nan 0.000 0.571 333 E N 1.290 121.521 120.200 0.051 0.000 2.367 333 E HA 0.193 4.542 4.350 -0.001 0.000 0.273 333 E C -0.727 175.796 176.600 -0.128 0.000 0.903 333 E CA -0.902 55.483 56.400 -0.025 0.000 0.764 333 E CB 2.261 31.955 29.700 -0.010 0.000 1.252 333 E HN 0.201 nan 8.360 nan 0.000 0.446 334 T N -1.828 112.629 114.554 -0.161 0.000 2.868 334 T HA 0.304 4.654 4.350 -0.001 0.000 0.292 334 T C 1.187 175.777 174.700 -0.184 0.000 1.028 334 T CA 0.018 61.971 62.100 -0.245 0.000 1.059 334 T CB 1.349 70.100 68.868 -0.195 0.000 0.991 334 T HN 0.535 nan 8.240 nan 0.000 0.531 335 A N 1.527 124.224 122.820 -0.205 0.000 1.978 335 A HA 0.139 4.459 4.320 -0.001 0.000 0.220 335 A C 2.617 180.141 177.584 -0.099 0.000 1.170 335 A CA 1.874 53.829 52.037 -0.137 0.000 0.636 335 A CB -1.489 17.430 19.000 -0.136 0.000 0.810 335 A HN 1.249 nan 8.150 nan 0.000 0.448 336 A N -0.069 122.691 122.820 -0.100 0.000 1.873 336 A HA -0.144 4.176 4.320 -0.001 0.000 0.215 336 A C 1.910 179.459 177.584 -0.060 0.000 1.186 336 A CA 1.506 53.500 52.037 -0.073 0.000 0.616 336 A CB -0.519 18.439 19.000 -0.070 0.000 0.823 336 A HN 0.632 nan 8.150 nan 0.000 0.442 337 E N -0.224 119.937 120.200 -0.064 0.000 2.058 337 E HA -0.147 4.203 4.350 -0.001 0.000 0.194 337 E C 2.028 178.603 176.600 -0.041 0.000 0.997 337 E CA 1.387 57.759 56.400 -0.047 0.000 0.801 337 E CB -0.413 29.260 29.700 -0.045 0.000 0.746 337 E HN 0.377 nan 8.360 nan 0.000 0.450 338 V N 1.711 121.595 119.914 -0.049 0.000 2.233 338 V HA -0.327 3.792 4.120 -0.001 0.000 0.247 338 V C 2.441 178.509 176.094 -0.044 0.000 1.050 338 V CA 2.079 64.353 62.300 -0.044 0.000 1.010 338 V CB -0.916 30.877 31.823 -0.050 0.000 0.637 338 V HN 0.359 nan 8.190 nan 0.000 0.444 339 A N -0.154 122.638 122.820 -0.047 0.000 1.917 339 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 339 A C 2.428 179.993 177.584 -0.032 0.000 1.182 339 A CA 2.576 54.589 52.037 -0.040 0.000 0.633 339 A CB -0.968 18.007 19.000 -0.041 0.000 0.819 339 A HN 0.647 nan 8.150 nan 0.000 0.448 340 A N -0.018 122.783 122.820 -0.030 0.000 1.859 340 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 340 A C 2.183 179.755 177.584 -0.020 0.000 1.198 340 A CA 2.578 54.602 52.037 -0.022 0.000 0.629 340 A CB -0.590 18.396 19.000 -0.024 0.000 0.830 340 A HN 0.526 nan 8.150 nan 0.000 0.446 341 R N -0.145 120.339 120.500 -0.027 0.000 2.103 341 R HA -0.126 4.213 4.340 -0.001 0.000 0.242 341 R C 2.230 178.500 176.300 -0.050 0.000 1.142 341 R CA 2.161 58.243 56.100 -0.030 0.000 0.960 341 R CB -0.613 29.671 30.300 -0.027 0.000 0.858 341 R HN 0.528 nan 8.270 nan 0.000 0.439 342 R N -0.116 120.345 120.500 -0.064 0.000 2.193 342 R HA -0.087 4.253 4.340 -0.001 0.000 0.229 342 R C 1.372 177.575 176.300 -0.161 0.000 1.110 342 R CA 1.809 57.840 56.100 -0.114 0.000 0.988 342 R CB 0.073 30.322 30.300 -0.086 0.000 0.871 342 R HN 0.486 nan 8.270 nan 0.000 0.458 343 E N -0.398 119.779 120.200 -0.039 0.000 2.340 343 E HA -0.023 4.327 4.350 -0.001 0.000 0.198 343 E C 0.468 177.190 176.600 0.204 0.000 0.961 343 E CA -0.119 56.348 56.400 0.111 0.000 0.905 343 E CB 0.250 30.004 29.700 0.090 0.000 0.884 343 E HN 0.313 nan 8.360 nan 0.000 0.491 344 R N 0.947 121.497 120.500 0.082 0.000 2.652 344 R HA 0.410 4.750 4.340 -0.001 0.000 0.272 344 R C -0.347 176.028 176.300 0.125 0.000 1.162 344 R CA -0.414 55.729 56.100 0.072 0.000 1.199 344 R CB 0.605 30.909 30.300 0.006 0.000 1.166 344 R HN -0.219 nan 8.270 nan 0.000 0.597 345 V N 1.062 121.020 119.914 0.073 0.000 2.638 345 V HA 0.289 4.408 4.120 -0.001 0.000 0.306 345 V C -0.802 175.317 176.094 0.042 0.000 1.052 345 V CA -0.925 61.436 62.300 0.103 0.000 0.885 345 V CB 2.031 33.931 31.823 0.128 0.000 0.999 345 V HN 0.580 nan 8.190 nan 0.000 0.424 346 V N 4.307 124.259 119.914 0.063 0.000 2.318 346 V HA 0.297 4.417 4.120 -0.001 0.000 0.271 346 V C -0.084 176.084 176.094 0.123 0.000 1.030 346 V CA -0.473 61.861 62.300 0.057 0.000 0.844 346 V CB 1.163 32.999 31.823 0.022 0.000 1.015 346 V HN 0.863 nan 8.190 nan 0.000 0.460 347 W N 4.597 125.841 121.300 -0.094 0.000 2.184 347 W HA 0.344 5.004 4.660 -0.000 0.000 0.338 347 W C -0.127 176.388 176.519 -0.006 0.000 1.257 347 W CA -0.390 56.934 57.345 -0.035 0.000 1.243 347 W CB 1.585 31.031 29.460 -0.023 0.000 1.122 347 W HN 0.547 nan 8.180 nan 0.000 0.585 348 c N 5.106 123.541 118.600 -0.274 0.000 2.281 348 c HA 0.730 5.299 4.570 -0.001 0.000 0.325 348 c C 0.178 174.251 174.090 -0.027 0.000 1.282 348 c CA -0.329 55.923 56.329 -0.129 0.000 1.640 348 c CB -0.734 41.651 42.510 -0.207 0.000 2.288 348 c HN 0.555 nan 8.230 nan 0.000 0.507 349 A N 5.263 128.143 122.820 0.100 0.000 2.304 349 A HA 0.680 5.000 4.320 -0.001 0.000 0.323 349 A C -0.619 176.993 177.584 0.046 0.000 1.195 349 A CA -0.340 51.789 52.037 0.152 0.000 0.826 349 A CB 0.903 20.029 19.000 0.210 0.000 1.184 349 A HN 0.787 nan 8.150 nan 0.000 0.496 350 V N 2.960 122.886 119.914 0.019 0.000 2.353 350 V HA 0.581 4.701 4.120 -0.001 0.000 0.264 350 V C 0.928 176.993 176.094 -0.048 0.000 1.049 350 V CA 1.058 63.332 62.300 -0.043 0.000 0.896 350 V CB -0.315 31.454 31.823 -0.091 0.000 1.025 350 V HN 1.910 nan 8.190 nan 0.000 0.475 351 G N 7.339 116.109 108.800 -0.049 0.000 2.758 351 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.686 351 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.686 351 G C -1.279 173.616 174.900 -0.009 0.000 1.389 351 G CA -0.281 44.788 45.100 -0.051 0.000 0.845 351 G HN 0.538 nan 8.290 nan 0.000 0.572 352 P HA -0.210 nan 4.420 nan 0.000 0.217 352 P C 1.280 178.600 177.300 0.032 0.000 1.162 352 P CA 2.348 65.455 63.100 0.012 0.000 0.901 352 P CB 0.017 31.719 31.700 0.004 0.000 0.793 353 E N -0.246 119.974 120.200 0.034 0.000 2.106 353 E HA -0.144 4.206 4.350 -0.001 0.000 0.192 353 E C 2.244 178.890 176.600 0.077 0.000 0.984 353 E CA 0.751 57.182 56.400 0.053 0.000 0.806 353 E CB -0.283 29.451 29.700 0.055 0.000 0.750 353 E HN 0.446 nan 8.360 nan 0.000 0.458 354 E N 0.643 120.893 120.200 0.084 0.000 2.204 354 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 354 E C 1.989 178.680 176.600 0.151 0.000 0.989 354 E CA 0.679 57.156 56.400 0.128 0.000 0.824 354 E CB 0.050 29.829 29.700 0.131 0.000 0.756 354 E HN 0.296 nan 8.360 nan 0.000 0.477 355 E N 1.094 121.362 120.200 0.114 0.000 2.072 355 E HA -0.158 4.192 4.350 -0.001 0.000 0.190 355 E C 2.066 178.735 176.600 0.114 0.000 0.982 355 E CA 0.493 56.962 56.400 0.115 0.000 0.803 355 E CB 0.186 29.932 29.700 0.076 0.000 0.755 355 E HN 0.098 nan 8.360 nan 0.000 0.453 356 R N 0.667 121.223 120.500 0.093 0.000 2.082 356 R HA -0.173 4.167 4.340 -0.001 0.000 0.234 356 R C 2.604 178.976 176.300 0.120 0.000 1.136 356 R CA 1.879 58.032 56.100 0.087 0.000 0.935 356 R CB -0.372 29.967 30.300 0.064 0.000 0.842 356 R HN 0.070 nan 8.270 nan 0.000 0.430 357 K N 0.464 120.942 120.400 0.130 0.000 2.113 357 K HA -0.217 4.103 4.320 -0.001 0.000 0.208 357 K C 2.197 178.972 176.600 0.292 0.000 1.047 357 K CA 1.681 58.072 56.287 0.173 0.000 0.928 357 K CB -0.296 32.286 32.500 0.138 0.000 0.716 357 K HN 0.233 nan 8.250 nan 0.000 0.446 358 c N 1.207 119.968 118.600 0.269 0.000 2.429 358 c HA -0.034 4.536 4.570 -0.001 0.000 0.277 358 c C 2.385 176.607 174.090 0.220 0.000 1.262 358 c CA 0.795 57.307 56.329 0.306 0.000 1.733 358 c CB -0.623 42.046 42.510 0.266 0.000 2.010 358 c HN 0.448 nan 8.230 nan 0.000 0.483 359 K N 0.498 120.993 120.400 0.159 0.000 2.063 359 K HA -0.160 4.160 4.320 -0.001 0.000 0.208 359 K C 2.085 178.759 176.600 0.123 0.000 1.048 359 K CA 1.572 57.923 56.287 0.107 0.000 0.928 359 K CB -0.736 31.814 32.500 0.084 0.000 0.713 359 K HN 0.687 nan 8.250 nan 0.000 0.442 360 Q N -0.745 119.169 119.800 0.191 0.000 2.002 360 Q HA -0.199 4.140 4.340 -0.001 0.000 0.204 360 Q C 1.951 178.070 176.000 0.199 0.000 0.988 360 Q CA 1.443 57.389 55.803 0.239 0.000 0.843 360 Q CB -0.333 28.607 28.738 0.337 0.000 0.908 360 Q HN 0.361 nan 8.270 nan 0.000 0.420 361 W N 1.291 122.568 121.300 -0.038 0.000 2.305 361 W HA -0.243 4.417 4.660 -0.000 0.000 0.308 361 W C 2.529 178.801 176.519 -0.412 0.000 1.226 361 W CA 1.661 58.650 57.345 -0.593 0.000 1.253 361 W CB -0.895 28.316 29.460 -0.416 0.000 1.146 361 W HN 0.071 nan 8.180 nan 0.000 0.507 362 S N 0.184 115.851 115.700 -0.054 0.000 2.354 362 S HA -0.212 4.258 4.470 -0.001 0.000 0.219 362 S C 1.619 176.166 174.600 -0.089 0.000 1.035 362 S CA 2.040 60.158 58.200 -0.136 0.000 1.037 362 S CB -0.615 62.544 63.200 -0.068 0.000 0.956 362 S HN 0.210 nan 8.310 nan 0.000 0.428 363 D N 0.805 121.187 120.400 -0.031 0.000 2.104 363 D HA -0.085 4.555 4.640 -0.001 0.000 0.194 363 D C 1.975 178.267 176.300 -0.014 0.000 0.994 363 D CA 1.243 55.237 54.000 -0.010 0.000 0.830 363 D CB -0.758 40.054 40.800 0.020 0.000 0.959 363 D HN 0.330 nan 8.370 nan 0.000 0.452 364 V N 1.142 121.030 119.914 -0.044 0.000 3.078 364 V HA -0.130 3.989 4.120 -0.001 0.000 0.265 364 V C 2.089 178.184 176.094 0.003 0.000 1.122 364 V CA 1.664 63.939 62.300 -0.041 0.000 1.141 364 V CB -0.606 31.104 31.823 -0.188 0.000 0.735 364 V HN 0.245 nan 8.190 nan 0.000 0.498 365 S N -1.251 114.417 115.700 -0.054 0.000 2.540 365 S HA 0.135 4.604 4.470 -0.001 0.000 0.218 365 S C 0.857 175.456 174.600 -0.002 0.000 0.977 365 S CA 0.166 58.370 58.200 0.006 0.000 0.918 365 S CB -0.406 62.726 63.200 -0.114 0.000 0.806 365 S HN 0.498 nan 8.310 nan 0.000 0.496 366 N N 2.598 121.294 118.700 -0.007 0.000 2.740 366 N HA -0.194 4.545 4.740 -0.001 0.000 0.248 366 N C -0.146 175.346 175.510 -0.029 0.000 1.062 366 N CA 0.833 53.878 53.050 -0.007 0.000 0.704 366 N CB -1.633 36.860 38.487 0.010 0.000 0.968 366 N HN 0.641 nan 8.380 nan 0.000 0.547 367 R N -2.049 118.416 120.500 -0.057 0.000 3.758 367 R HA -0.284 4.056 4.340 -0.001 0.000 0.299 367 R C 0.813 177.065 176.300 -0.081 0.000 1.182 367 R CA 1.471 57.526 56.100 -0.075 0.000 0.809 367 R CB -1.282 28.989 30.300 -0.048 0.000 1.249 367 R HN 0.546 nan 8.270 nan 0.000 0.497 368 K N 0.209 120.554 120.400 -0.092 0.000 2.211 368 K HA 0.004 4.324 4.320 -0.001 0.000 0.203 368 K C 0.822 177.337 176.600 -0.141 0.000 1.050 368 K CA 1.109 57.349 56.287 -0.079 0.000 0.945 368 K CB 0.354 32.815 32.500 -0.065 0.000 0.732 368 K HN -0.036 nan 8.250 nan 0.000 0.451 369 V N 1.237 120.989 119.914 -0.269 0.000 2.448 369 V HA 0.446 4.566 4.120 -0.001 0.000 0.295 369 V C -0.354 175.567 176.094 -0.287 0.000 1.025 369 V CA -0.814 61.241 62.300 -0.409 0.000 0.859 369 V CB 1.345 32.576 31.823 -0.987 0.000 0.988 369 V HN 0.175 nan 8.190 nan 0.000 0.431 370 A N 3.952 126.671 122.820 -0.167 0.000 2.346 370 A HA 0.878 5.198 4.320 -0.001 0.000 0.313 370 A C -0.560 177.000 177.584 -0.040 0.000 1.140 370 A CA -0.457 51.527 52.037 -0.088 0.000 0.826 370 A CB 1.518 20.492 19.000 -0.045 0.000 1.332 370 A HN 0.811 nan 8.150 nan 0.000 0.457 371 c N -0.396 118.206 118.600 0.004 0.000 2.667 371 c HA 0.969 5.539 4.570 -0.001 0.000 0.323 371 c C 0.452 174.573 174.090 0.052 0.000 1.214 371 c CA 0.003 56.368 56.329 0.060 0.000 1.721 371 c CB 1.126 43.686 42.510 0.083 0.000 2.275 371 c HN 1.223 nan 8.230 nan 0.000 0.491 372 A N 1.406 124.267 122.820 0.068 0.000 2.539 372 A HA 0.973 5.293 4.320 -0.001 0.000 0.296 372 A C -0.637 176.971 177.584 0.040 0.000 1.073 372 A CA -0.263 51.796 52.037 0.037 0.000 0.700 372 A CB 1.529 20.539 19.000 0.016 0.000 1.296 372 A HN 1.421 nan 8.150 nan 0.000 0.405 373 S N -0.414 115.299 115.700 0.020 0.000 2.579 373 S HA 0.956 5.426 4.470 -0.001 0.000 0.272 373 S C -0.611 173.983 174.600 -0.009 0.000 1.141 373 S CA -0.148 58.060 58.200 0.012 0.000 0.843 373 S CB 1.628 64.845 63.200 0.028 0.000 1.122 373 S HN 2.495 nan 8.310 nan 0.000 0.468 374 A N 0.718 123.524 122.820 -0.025 0.000 2.594 374 A HA 0.761 5.081 4.320 -0.001 0.000 0.295 374 A C 0.531 178.081 177.584 -0.057 0.000 1.071 374 A CA -0.404 51.609 52.037 -0.040 0.000 0.685 374 A CB 0.902 19.873 19.000 -0.049 0.000 1.285 374 A HN 1.109 nan 8.150 nan 0.000 0.405 375 S N 0.073 115.736 115.700 -0.061 0.000 2.399 375 S HA 0.004 4.473 4.470 -0.001 0.000 0.231 375 S C 1.068 175.598 174.600 -0.117 0.000 1.022 375 S CA 1.710 59.861 58.200 -0.082 0.000 0.983 375 S CB -0.492 62.666 63.200 -0.070 0.000 0.803 375 S HN 1.475 nan 8.310 nan 0.000 0.480 376 T N -1.580 112.910 114.554 -0.108 0.000 2.907 376 T HA 0.442 4.792 4.350 -0.001 0.000 0.292 376 T C 0.845 175.449 174.700 -0.160 0.000 1.043 376 T CA -0.610 61.409 62.100 -0.135 0.000 1.003 376 T CB 1.606 70.418 68.868 -0.093 0.000 1.084 376 T HN -0.067 nan 8.240 nan 0.000 0.483 377 T N 1.423 115.826 114.554 -0.252 0.000 2.759 377 T HA -0.126 4.224 4.350 -0.001 0.000 0.269 377 T C 1.845 176.411 174.700 -0.223 0.000 1.042 377 T CA 1.713 63.605 62.100 -0.346 0.000 1.140 377 T CB -0.270 68.152 68.868 -0.742 0.000 0.864 377 T HN 0.806 nan 8.240 nan 0.000 0.455 378 E N 1.720 121.852 120.200 -0.113 0.000 2.110 378 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 378 E C 2.001 178.586 176.600 -0.025 0.000 0.988 378 E CA 0.993 57.400 56.400 0.011 0.000 0.804 378 E CB -0.393 29.350 29.700 0.071 0.000 0.745 378 E HN 0.586 nan 8.360 nan 0.000 0.458 379 E N 0.306 120.477 120.200 -0.048 0.000 2.110 379 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 379 E C 2.140 178.708 176.600 -0.055 0.000 0.988 379 E CA 1.126 57.500 56.400 -0.043 0.000 0.804 379 E CB -0.073 29.599 29.700 -0.047 0.000 0.745 379 E HN 0.212 nan 8.360 nan 0.000 0.458 380 c N 0.207 118.757 118.600 -0.085 0.000 2.432 380 c HA -0.112 4.458 4.570 -0.001 0.000 0.277 380 c C 2.495 176.530 174.090 -0.091 0.000 1.249 380 c CA 0.433 56.702 56.329 -0.099 0.000 1.725 380 c CB -0.705 41.720 42.510 -0.142 0.000 2.028 380 c HN 0.442 nan 8.230 nan 0.000 0.477 381 I N 1.190 121.712 120.570 -0.080 0.000 2.335 381 I HA -0.224 3.946 4.170 -0.001 0.000 0.251 381 I C 2.679 178.778 176.117 -0.031 0.000 1.129 381 I CA 1.580 62.848 61.300 -0.053 0.000 1.402 381 I CB -0.548 37.444 38.000 -0.014 0.000 1.069 381 I HN 0.312 nan 8.210 nan 0.000 0.424 382 A N 1.022 123.830 122.820 -0.020 0.000 1.898 382 A HA -0.112 4.208 4.320 -0.001 0.000 0.216 382 A C 2.315 179.895 177.584 -0.007 0.000 1.181 382 A CA 1.100 53.136 52.037 -0.003 0.000 0.620 382 A CB -0.660 18.342 19.000 0.003 0.000 0.819 382 A HN 0.342 nan 8.150 nan 0.000 0.442 383 L N -0.298 120.913 121.223 -0.021 0.000 2.012 383 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 383 L C 2.527 179.382 176.870 -0.026 0.000 1.073 383 L CA 1.414 56.242 54.840 -0.020 0.000 0.748 383 L CB -0.820 41.219 42.059 -0.034 0.000 0.891 383 L HN 0.255 nan 8.230 nan 0.000 0.431 384 V N 0.219 120.104 119.914 -0.048 0.000 2.469 384 V HA -0.284 3.836 4.120 -0.001 0.000 0.251 384 V C 2.339 178.419 176.094 -0.024 0.000 1.064 384 V CA 1.585 63.853 62.300 -0.052 0.000 1.066 384 V CB -0.379 31.397 31.823 -0.078 0.000 0.667 384 V HN 0.374 nan 8.190 nan 0.000 0.461 385 L N -0.979 120.238 121.223 -0.010 0.000 2.209 385 L HA -0.021 4.319 4.340 -0.001 0.000 0.207 385 L C 2.394 179.278 176.870 0.022 0.000 1.094 385 L CA 1.085 55.929 54.840 0.007 0.000 0.790 385 L CB -0.415 41.652 42.059 0.014 0.000 0.932 385 L HN 0.217 nan 8.230 nan 0.000 0.447 386 K N 0.139 120.555 120.400 0.027 0.000 2.296 386 K HA 0.091 4.411 4.320 -0.001 0.000 0.200 386 K C 1.124 177.750 176.600 0.044 0.000 1.048 386 K CA 0.748 57.063 56.287 0.046 0.000 0.966 386 K CB 0.087 32.616 32.500 0.049 0.000 0.754 386 K HN 0.371 nan 8.250 nan 0.000 0.466 387 G N 1.797 110.610 108.800 0.022 0.000 2.141 387 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.195 387 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.195 387 G C 0.270 175.176 174.900 0.011 0.000 1.012 387 G CA 0.114 45.222 45.100 0.014 0.000 0.696 387 G HN 0.385 nan 8.290 nan 0.000 0.508 388 E N -0.501 119.704 120.200 0.008 0.000 2.340 388 E HA 0.458 4.808 4.350 -0.001 0.000 0.194 388 E C 1.430 178.027 176.600 -0.005 0.000 0.996 388 E CA 0.778 57.182 56.400 0.007 0.000 0.869 388 E CB 0.508 30.215 29.700 0.012 0.000 0.835 388 E HN 0.784 nan 8.360 nan 0.000 0.493 389 A N 0.562 123.369 122.820 -0.022 0.000 2.387 389 A HA 0.386 4.706 4.320 -0.001 0.000 0.298 389 A C -0.419 177.137 177.584 -0.047 0.000 1.165 389 A CA -0.654 51.360 52.037 -0.037 0.000 0.814 389 A CB 1.238 20.197 19.000 -0.069 0.000 1.357 389 A HN -0.098 nan 8.150 nan 0.000 0.443 390 D N -0.834 119.534 120.400 -0.054 0.000 2.473 390 D HA 0.444 5.084 4.640 -0.001 0.000 0.230 390 D C 0.372 176.611 176.300 -0.103 0.000 1.097 390 D CA 1.351 55.326 54.000 -0.042 0.000 0.861 390 D CB 1.147 41.960 40.800 0.022 0.000 1.114 390 D HN 0.808 nan 8.370 nan 0.000 0.500 391 A N 0.630 123.296 122.820 -0.257 0.000 2.586 391 A HA 0.636 4.956 4.320 -0.001 0.000 0.290 391 A C -2.243 174.699 177.584 -1.070 0.000 1.086 391 A CA -0.693 51.047 52.037 -0.495 0.000 0.665 391 A CB 1.554 20.342 19.000 -0.353 0.000 1.279 391 A HN 0.080 nan 8.150 nan 0.000 0.423 392 L N -1.346 119.278 121.223 -0.997 0.000 2.703 392 L HA 0.614 4.954 4.340 -0.001 0.000 0.257 392 L C -1.148 175.469 176.870 -0.422 0.000 0.923 392 L CA -1.113 53.134 54.840 -0.989 0.000 0.936 392 L CB 0.364 42.042 42.059 -0.634 0.000 1.482 392 L HN 0.697 nan 8.230 nan 0.000 0.432 393 N N 1.940 120.524 118.700 -0.194 0.000 2.520 393 N HA 0.739 5.479 4.740 -0.001 0.000 0.273 393 N C -1.047 174.462 175.510 -0.001 0.000 1.155 393 N CA 0.069 53.121 53.050 0.003 0.000 0.967 393 N CB 0.570 39.034 38.487 -0.038 0.000 1.092 393 N HN 0.763 nan 8.380 nan 0.000 0.457 394 L N 1.026 122.281 121.223 0.054 0.000 2.350 394 L HA 0.423 4.763 4.340 -0.001 0.000 0.260 394 L C -0.314 176.557 176.870 0.002 0.000 1.015 394 L CA -1.187 53.666 54.840 0.022 0.000 0.821 394 L CB 1.987 44.076 42.059 0.051 0.000 1.370 394 L HN 0.527 nan 8.230 nan 0.000 0.416 395 D N 0.019 120.324 120.400 -0.158 0.000 2.313 395 D HA 0.280 4.920 4.640 -0.001 0.000 0.247 395 D C 1.276 177.638 176.300 0.105 0.000 1.094 395 D CA 0.346 54.133 54.000 -0.355 0.000 0.925 395 D CB 1.922 42.508 40.800 -0.357 0.000 1.188 395 D HN 0.596 nan 8.370 nan 0.000 0.430 396 G N 2.306 111.223 108.800 0.195 0.000 2.679 396 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.222 396 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.222 396 G C 1.420 176.536 174.900 0.360 0.000 1.164 396 G CA 1.155 46.433 45.100 0.297 0.000 0.769 396 G HN 0.679 nan 8.290 nan 0.000 0.610 397 G N 0.206 109.181 108.800 0.291 0.000 2.529 397 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.219 397 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.219 397 G C 1.593 176.482 174.900 -0.019 0.000 1.177 397 G CA 1.069 46.235 45.100 0.110 0.000 0.773 397 G HN 0.419 nan 8.290 nan 0.000 0.573 398 F N 0.216 120.219 119.950 0.088 0.000 2.743 398 F HA 0.353 4.879 4.527 -0.001 0.000 0.297 398 F C 2.399 178.232 175.800 0.055 0.000 1.131 398 F CA -0.202 57.832 58.000 0.056 0.000 1.426 398 F CB 0.096 39.099 39.000 0.005 0.000 1.116 398 F HN 0.056 nan 8.300 nan 0.000 0.583 399 I N -0.892 119.828 120.570 0.251 0.000 2.226 399 I HA -0.355 3.815 4.170 -0.001 0.000 0.245 399 I C 2.433 178.608 176.117 0.097 0.000 1.100 399 I CA 1.410 62.825 61.300 0.192 0.000 1.374 399 I CB -0.413 37.751 38.000 0.274 0.000 1.057 399 I HN 0.165 nan 8.210 nan 0.000 0.413 400 Y N 1.336 121.613 120.300 -0.039 0.000 2.151 400 Y HA -0.290 4.259 4.550 -0.000 0.000 0.284 400 Y C 2.381 178.067 175.900 -0.358 0.000 1.166 400 Y CA 1.923 59.858 58.100 -0.276 0.000 1.163 400 Y CB -0.399 37.933 38.460 -0.213 0.000 0.974 400 Y HN -0.117 nan 8.280 nan 0.000 0.511 401 V N 0.534 120.360 119.914 -0.147 0.000 2.270 401 V HA -0.313 3.807 4.120 -0.001 0.000 0.245 401 V C 2.745 178.724 176.094 -0.192 0.000 1.043 401 V CA 1.803 63.992 62.300 -0.184 0.000 1.014 401 V CB -1.677 30.144 31.823 -0.003 0.000 0.645 401 V HN 0.583 nan 8.190 nan 0.000 0.447 402 A N 0.681 123.457 122.820 -0.073 0.000 1.892 402 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 402 A C 2.413 179.935 177.584 -0.103 0.000 1.188 402 A CA 2.345 54.352 52.037 -0.050 0.000 0.631 402 A CB -1.363 17.639 19.000 0.003 0.000 0.822 402 A HN 0.557 nan 8.150 nan 0.000 0.447 403 G N -0.645 108.027 108.800 -0.214 0.000 2.418 403 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.217 403 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.217 403 G C 1.568 176.319 174.900 -0.249 0.000 1.158 403 G CA 0.919 45.920 45.100 -0.165 0.000 0.771 403 G HN 0.498 nan 8.290 nan 0.000 0.545 404 K N -0.143 119.901 120.400 -0.593 0.000 2.280 404 K HA -0.053 4.266 4.320 -0.001 0.000 0.202 404 K C 1.824 178.341 176.600 -0.138 0.000 1.047 404 K CA 0.768 56.832 56.287 -0.372 0.000 0.942 404 K CB -0.273 31.914 32.500 -0.522 0.000 0.739 404 K HN 0.365 nan 8.250 nan 0.000 0.457 405 c N 0.275 118.810 118.600 -0.109 0.000 2.754 405 c HA 0.253 4.822 4.570 -0.001 0.000 0.276 405 c C 1.320 175.404 174.090 -0.009 0.000 1.264 405 c CA -0.004 56.301 56.329 -0.041 0.000 1.700 405 c CB -0.718 41.774 42.510 -0.031 0.000 1.885 405 c HN 0.687 nan 8.230 nan 0.000 0.607 406 G N 0.956 109.765 108.800 0.015 0.000 2.132 406 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.234 406 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.234 406 G C -0.148 174.775 174.900 0.039 0.000 0.989 406 G CA -0.228 44.895 45.100 0.039 0.000 0.676 406 G HN 0.516 nan 8.290 nan 0.000 0.522 407 L N 0.285 121.529 121.223 0.035 0.000 2.343 407 L HA 0.757 5.097 4.340 -0.001 0.000 0.275 407 L C 0.828 177.732 176.870 0.056 0.000 1.056 407 L CA -1.328 53.528 54.840 0.027 0.000 0.804 407 L CB 1.781 43.841 42.059 0.002 0.000 1.203 407 L HN 0.126 nan 8.230 nan 0.000 0.440 408 V N -0.082 119.857 119.914 0.042 0.000 2.815 408 V HA 0.583 4.703 4.120 -0.001 0.000 0.314 408 V C -2.516 173.588 176.094 0.017 0.000 1.064 408 V CA -2.427 59.904 62.300 0.051 0.000 0.952 408 V CB 1.434 33.283 31.823 0.043 0.000 1.020 408 V HN 0.567 nan 8.190 nan 0.000 0.439 409 P HA 0.256 nan 4.420 nan 0.000 0.276 409 P C 0.344 177.609 177.300 -0.059 0.000 1.235 409 P CA 0.078 63.122 63.100 -0.093 0.000 0.772 409 P CB 1.997 33.530 31.700 -0.278 0.000 0.871 410 V N 4.327 124.219 119.914 -0.036 0.000 2.365 410 V HA 0.049 4.169 4.120 -0.001 0.000 0.232 410 V C 1.149 177.232 176.094 -0.019 0.000 1.065 410 V CA 1.192 63.487 62.300 -0.008 0.000 1.054 410 V CB -0.629 31.207 31.823 0.022 0.000 0.685 410 V HN 0.386 nan 8.190 nan 0.000 0.480 411 L N -0.752 120.471 121.223 0.000 0.000 2.354 411 L HA 0.821 5.161 4.340 -0.001 0.000 0.264 411 L C -0.510 176.395 176.870 0.058 0.000 1.008 411 L CA -0.503 54.352 54.840 0.025 0.000 0.819 411 L CB 1.793 43.854 42.059 0.004 0.000 1.339 411 L HN 0.233 nan 8.230 nan 0.000 0.420 412 A N 0.563 123.440 122.820 0.094 0.000 2.337 412 A HA 0.593 4.913 4.320 -0.001 0.000 0.331 412 A C -0.552 177.131 177.584 0.164 0.000 1.137 412 A CA -0.554 51.568 52.037 0.142 0.000 0.807 412 A CB 0.807 19.944 19.000 0.228 0.000 1.250 412 A HN 0.736 nan 8.150 nan 0.000 0.468 413 E N 0.846 121.150 120.200 0.174 0.000 2.392 413 E HA 0.100 4.449 4.350 -0.001 0.000 0.264 413 E C -0.872 175.761 176.600 0.054 0.000 1.024 413 E CA 0.057 56.505 56.400 0.080 0.000 0.903 413 E CB 0.427 30.160 29.700 0.055 0.000 0.963 413 E HN 0.472 nan 8.360 nan 0.000 0.432 414 N N 3.368 122.055 118.700 -0.022 0.000 2.576 414 N HA 0.011 4.751 4.740 -0.001 0.000 0.269 414 N C -0.763 174.704 175.510 -0.073 0.000 1.058 414 N CA -0.418 52.625 53.050 -0.012 0.000 0.860 414 N CB 1.047 39.544 38.487 0.017 0.000 1.249 414 N HN 0.433 nan 8.380 nan 0.000 0.525 415 Q N 1.008 120.767 119.800 -0.069 0.000 2.614 415 Q HA 0.048 4.388 4.340 -0.001 0.000 0.244 415 Q C -0.495 175.463 176.000 -0.070 0.000 1.097 415 Q CA 0.284 56.028 55.803 -0.099 0.000 0.986 415 Q CB 0.900 29.585 28.738 -0.089 0.000 1.308 415 Q HN 0.255 nan 8.270 nan 0.000 0.546 416 K N 1.784 122.142 120.400 -0.070 0.000 2.360 416 K HA 0.099 4.418 4.320 -0.001 0.000 0.225 416 K C -0.101 176.478 176.600 -0.036 0.000 1.246 416 K CA -0.129 56.131 56.287 -0.045 0.000 1.198 416 K CB -0.216 32.259 32.500 -0.041 0.000 1.348 416 K HN 0.422 nan 8.250 nan 0.000 0.232 417 S N 1.534 117.217 115.700 -0.028 0.000 2.737 417 S HA -0.092 4.378 4.470 -0.001 0.000 0.249 417 S C 0.247 174.837 174.600 -0.016 0.000 1.415 417 S CA 0.051 58.239 58.200 -0.019 0.000 0.967 417 S CB 0.281 63.476 63.200 -0.008 0.000 0.937 417 S HN 0.408 nan 8.310 nan 0.000 0.574 418 Q N 0.931 120.724 119.800 -0.012 0.000 2.337 418 Q HA 0.524 4.864 4.340 -0.001 0.000 0.260 418 Q C -0.089 175.908 176.000 -0.005 0.000 0.982 418 Q CA -0.441 55.356 55.803 -0.010 0.000 0.734 418 Q CB 1.213 29.943 28.738 -0.013 0.000 1.272 418 Q HN 0.558 nan 8.270 nan 0.000 0.461 419 N N 0.157 118.856 118.700 -0.003 0.000 2.694 419 N HA 0.042 4.782 4.740 -0.001 0.000 0.353 419 N C -0.700 174.810 175.510 0.001 0.000 0.626 419 N CA 0.194 53.244 53.050 0.001 0.000 1.589 419 N CB 0.554 39.044 38.487 0.005 0.000 1.286 419 N HN 0.389 nan 8.380 nan 0.000 1.715 420 S N 1.046 116.748 115.700 0.003 0.000 2.461 420 S HA 0.381 4.851 4.470 -0.001 0.000 0.216 420 S C -0.939 173.662 174.600 0.002 0.000 1.201 420 S CA -0.764 57.438 58.200 0.003 0.000 1.171 420 S CB 0.392 63.596 63.200 0.007 0.000 1.169 420 S HN 0.120 nan 8.310 nan 0.000 0.456 421 N N 2.296 120.994 118.700 -0.003 0.000 2.926 421 N HA 0.209 4.949 4.740 -0.001 0.000 0.284 421 N C 0.786 176.292 175.510 -0.006 0.000 1.303 421 N CA 0.199 53.246 53.050 -0.005 0.000 1.062 421 N CB 0.296 38.778 38.487 -0.008 0.000 1.389 421 N HN 0.820 nan 8.380 nan 0.000 0.538 422 A N 1.702 124.520 122.820 -0.004 0.000 3.204 422 A HA 0.370 4.689 4.320 -0.001 0.000 0.197 422 A C -0.928 176.649 177.584 -0.011 0.000 1.915 422 A CA -0.443 51.591 52.037 -0.005 0.000 0.878 422 A CB -0.437 18.565 19.000 0.002 0.000 1.868 422 A HN 0.086 nan 8.150 nan 0.000 0.685 423 P HA -0.049 nan 4.420 nan 0.000 0.237 423 P C -0.133 177.142 177.300 -0.042 0.000 1.178 423 P CA 1.207 64.289 63.100 -0.029 0.000 0.766 423 P CB -0.267 31.432 31.700 -0.002 0.000 0.876 424 D N 0.280 120.687 120.400 0.010 0.000 2.268 424 D HA -0.260 4.379 4.640 -0.001 0.000 0.189 424 D C 2.092 178.376 176.300 -0.027 0.000 1.010 424 D CA 1.645 55.665 54.000 0.033 0.000 0.862 424 D CB -1.376 39.443 40.800 0.031 0.000 0.943 424 D HN 0.127 nan 8.370 nan 0.000 0.451 425 c N 0.202 118.778 118.600 -0.041 0.000 2.260 425 c HA -0.302 4.267 4.570 -0.001 0.000 0.258 425 c C 2.759 176.811 174.090 -0.064 0.000 1.091 425 c CA 1.891 58.197 56.329 -0.039 0.000 1.816 425 c CB -1.124 41.372 42.510 -0.024 0.000 1.941 425 c HN 0.309 nan 8.230 nan 0.000 0.412 426 V N -0.437 119.362 119.914 -0.193 0.000 3.026 426 V HA -0.161 3.959 4.120 -0.001 0.000 0.265 426 V C 1.511 177.509 176.094 -0.160 0.000 1.121 426 V CA 2.515 64.697 62.300 -0.197 0.000 1.142 426 V CB -1.186 30.406 31.823 -0.385 0.000 0.730 426 V HN 0.792 nan 8.190 nan 0.000 0.503 427 H N -1.973 117.136 119.070 0.064 0.000 3.058 427 H HA 0.301 4.857 4.556 -0.001 0.000 0.266 427 H C 1.220 176.582 175.328 0.057 0.000 1.135 427 H CA -0.562 55.523 56.048 0.062 0.000 1.174 427 H CB 0.465 30.248 29.762 0.035 0.000 1.581 427 H HN 0.215 nan 8.280 nan 0.000 0.553 428 R N 2.822 123.390 120.500 0.113 0.000 2.537 428 R HA 0.110 4.450 4.340 -0.001 0.000 0.280 428 R C -2.738 173.616 176.300 0.091 0.000 1.058 428 R CA -1.598 54.553 56.100 0.085 0.000 1.057 428 R CB 0.340 30.668 30.300 0.048 0.000 0.973 428 R HN -0.017 nan 8.270 nan 0.000 0.438 429 P HA 0.144 nan 4.420 nan 0.000 0.271 429 P C -2.476 174.863 177.300 0.065 0.000 1.220 429 P CA -1.198 61.947 63.100 0.075 0.000 0.768 429 P CB 0.527 32.259 31.700 0.053 0.000 0.848 430 P HA -0.001 nan 4.420 nan 0.000 0.267 430 P C 0.418 177.733 177.300 0.026 0.000 1.205 430 P CA 0.318 63.464 63.100 0.077 0.000 0.765 430 P CB 0.313 32.096 31.700 0.139 0.000 0.828 431 E N 2.771 122.977 120.200 0.010 0.000 2.501 431 E HA 0.273 4.623 4.350 -0.001 0.000 0.201 431 E C 0.867 177.432 176.600 -0.058 0.000 1.016 431 E CA -0.310 56.076 56.400 -0.023 0.000 0.920 431 E CB -0.271 29.421 29.700 -0.014 0.000 1.023 431 E HN 0.489 nan 8.360 nan 0.000 0.474 432 G N 1.766 110.526 108.800 -0.065 0.000 2.752 432 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.234 432 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.234 432 G C -0.636 174.224 174.900 -0.066 0.000 1.367 432 G CA 0.013 45.016 45.100 -0.161 0.000 0.879 432 G HN 0.464 nan 8.290 nan 0.000 0.563 433 Y N -3.090 117.165 120.300 -0.076 0.000 2.562 433 Y HA 0.744 5.293 4.550 -0.001 0.000 0.345 433 Y C -0.153 175.687 175.900 -0.100 0.000 1.045 433 Y CA -1.999 56.049 58.100 -0.087 0.000 1.028 433 Y CB 1.088 39.502 38.460 -0.076 0.000 1.297 433 Y HN 0.594 nan 8.280 nan 0.000 0.463 434 L N 3.640 124.939 121.223 0.128 0.000 2.325 434 L HA 0.623 4.963 4.340 -0.001 0.000 0.284 434 L C 0.461 177.431 176.870 0.167 0.000 1.089 434 L CA -0.695 54.150 54.840 0.008 0.000 0.836 434 L CB 0.641 42.660 42.059 -0.066 0.000 1.184 434 L HN 0.911 nan 8.230 nan 0.000 0.444 435 A N 4.582 127.506 122.820 0.174 0.000 2.388 435 A HA 0.639 4.959 4.320 -0.001 0.000 0.257 435 A C -0.105 177.591 177.584 0.186 0.000 1.095 435 A CA -0.360 51.817 52.037 0.233 0.000 0.791 435 A CB 0.832 19.959 19.000 0.211 0.000 1.029 435 A HN 0.603 nan 8.150 nan 0.000 0.489 436 V N -1.563 118.463 119.914 0.187 0.000 3.159 436 V HA 0.929 5.048 4.120 -0.001 0.000 0.308 436 V C -0.151 176.039 176.094 0.159 0.000 1.190 436 V CA -0.507 61.882 62.300 0.148 0.000 1.037 436 V CB 1.491 33.374 31.823 0.100 0.000 1.060 436 V HN 1.740 nan 8.190 nan 0.000 0.437 437 A N 1.901 124.787 122.820 0.109 0.000 2.258 437 A HA 0.842 5.162 4.320 -0.001 0.000 0.316 437 A C -0.587 176.989 177.584 -0.014 0.000 1.279 437 A CA -0.591 51.462 52.037 0.026 0.000 0.876 437 A CB 0.945 20.053 19.000 0.180 0.000 1.170 437 A HN 1.351 nan 8.150 nan 0.000 0.520 438 V N 3.531 123.392 119.914 -0.088 0.000 2.513 438 V HA 0.676 4.796 4.120 -0.001 0.000 0.299 438 V C 0.043 176.141 176.094 0.007 0.000 1.035 438 V CA -0.415 61.892 62.300 0.011 0.000 0.889 438 V CB 1.354 33.213 31.823 0.060 0.000 0.988 438 V HN 1.061 nan 8.190 nan 0.000 0.440 439 V N 2.171 122.149 119.914 0.106 0.000 3.078 439 V HA 0.705 4.825 4.120 -0.001 0.000 0.311 439 V C -0.407 175.805 176.094 0.196 0.000 1.138 439 V CA -1.365 60.998 62.300 0.106 0.000 1.007 439 V CB 2.065 33.931 31.823 0.072 0.000 1.045 439 V HN 0.867 nan 8.190 nan 0.000 0.432 440 R N 1.118 121.695 120.500 0.129 0.000 2.641 440 R HA 0.356 4.696 4.340 -0.001 0.000 0.269 440 R C 0.760 177.031 176.300 -0.049 0.000 1.074 440 R CA -0.452 55.635 56.100 -0.020 0.000 1.133 440 R CB 0.522 30.748 30.300 -0.123 0.000 1.029 440 R HN 0.855 nan 8.270 nan 0.000 0.488 441 K N 1.605 121.928 120.400 -0.128 0.000 2.209 441 K HA -0.152 4.168 4.320 -0.001 0.000 0.204 441 K C 1.899 178.463 176.600 -0.060 0.000 1.048 441 K CA 1.778 58.024 56.287 -0.069 0.000 0.940 441 K CB -0.241 32.207 32.500 -0.086 0.000 0.729 441 K HN 0.588 nan 8.250 nan 0.000 0.451 442 S N 0.802 116.449 115.700 -0.089 0.000 2.380 442 S HA -0.161 4.309 4.470 -0.001 0.000 0.217 442 S C 0.145 174.729 174.600 -0.027 0.000 1.036 442 S CA 1.545 59.709 58.200 -0.060 0.000 1.050 442 S CB -0.762 62.396 63.200 -0.070 0.000 1.016 442 S HN 0.468 nan 8.310 nan 0.000 0.419 443 D N 1.887 122.276 120.400 -0.017 0.000 2.669 443 D HA 0.310 4.950 4.640 -0.001 0.000 0.229 443 D C 0.758 177.068 176.300 0.017 0.000 1.092 443 D CA 0.598 54.602 54.000 0.005 0.000 1.175 443 D CB -0.185 40.623 40.800 0.014 0.000 1.133 443 D HN 0.447 nan 8.370 nan 0.000 0.471 444 A N 0.830 123.658 122.820 0.012 0.000 2.209 444 A HA -0.113 4.206 4.320 -0.001 0.000 0.212 444 A C 1.597 179.199 177.584 0.030 0.000 1.158 444 A CA 0.602 52.651 52.037 0.020 0.000 0.742 444 A CB 0.065 19.072 19.000 0.012 0.000 0.790 444 A HN 0.177 nan 8.150 nan 0.000 0.472 445 D N -0.529 119.889 120.400 0.029 0.000 2.091 445 D HA -0.015 4.625 4.640 -0.001 0.000 0.199 445 D C 0.772 177.101 176.300 0.048 0.000 0.980 445 D CA 0.390 54.410 54.000 0.034 0.000 0.831 445 D CB -0.265 40.553 40.800 0.030 0.000 0.987 445 D HN 0.341 nan 8.370 nan 0.000 0.460 446 L N 0.597 121.853 121.223 0.055 0.000 2.615 446 L HA 0.156 4.496 4.340 -0.001 0.000 0.284 446 L C 0.259 177.186 176.870 0.096 0.000 1.237 446 L CA 1.049 55.934 54.840 0.075 0.000 0.905 446 L CB 0.040 42.143 42.059 0.073 0.000 1.149 446 L HN -0.033 nan 8.230 nan 0.000 0.499 447 T N 4.217 118.843 114.554 0.121 0.000 2.754 447 T HA 0.148 4.498 4.350 -0.001 0.000 0.296 447 T C 0.403 175.246 174.700 0.238 0.000 1.205 447 T CA -0.177 62.024 62.100 0.168 0.000 1.009 447 T CB 0.142 69.096 68.868 0.143 0.000 1.368 447 T HN 0.712 nan 8.240 nan 0.000 0.509 448 W N 1.581 122.932 121.300 0.085 0.000 2.335 448 W HA -0.151 4.508 4.660 -0.001 0.000 0.311 448 W C 1.160 177.745 176.519 0.110 0.000 1.213 448 W CA 1.940 59.348 57.345 0.105 0.000 1.274 448 W CB -0.228 29.283 29.460 0.086 0.000 1.148 448 W HN 0.778 nan 8.180 nan 0.000 0.498 449 N N 0.099 118.877 118.700 0.130 0.000 2.609 449 N HA -0.126 4.613 4.740 -0.001 0.000 0.190 449 N C 0.808 176.312 175.510 -0.009 0.000 1.157 449 N CA 1.304 54.360 53.050 0.011 0.000 0.918 449 N CB -0.125 38.414 38.487 0.087 0.000 0.978 449 N HN -0.001 nan 8.380 nan 0.000 0.448 450 S N -1.127 114.583 115.700 0.016 0.000 2.809 450 S HA 0.288 4.758 4.470 -0.001 0.000 0.248 450 S C 0.837 175.468 174.600 0.051 0.000 1.071 450 S CA -0.526 57.691 58.200 0.028 0.000 1.059 450 S CB -0.358 62.870 63.200 0.047 0.000 0.923 450 S HN 0.126 nan 8.310 nan 0.000 0.516 451 L N 1.092 122.332 121.223 0.028 0.000 2.240 451 L HA 0.155 4.495 4.340 -0.001 0.000 0.211 451 L C 1.516 178.499 176.870 0.188 0.000 1.106 451 L CA 0.296 55.204 54.840 0.114 0.000 0.793 451 L CB -0.278 41.765 42.059 -0.026 0.000 0.927 451 L HN 0.446 nan 8.230 nan 0.000 0.446 452 S N 0.037 115.833 115.700 0.160 0.000 2.702 452 S HA 0.070 4.539 4.470 -0.001 0.000 0.314 452 S C 1.356 175.954 174.600 -0.003 0.000 1.244 452 S CA 0.722 58.920 58.200 -0.002 0.000 1.058 452 S CB 0.163 63.230 63.200 -0.222 0.000 0.783 452 S HN 0.663 nan 8.310 nan 0.000 0.503 453 G N 4.035 112.825 108.800 -0.016 0.000 2.205 453 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.269 453 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.269 453 G C 0.266 175.265 174.900 0.164 0.000 0.977 453 G CA 0.738 45.873 45.100 0.059 0.000 0.652 453 G HN 0.644 nan 8.290 nan 0.000 0.539 454 K N 0.393 120.946 120.400 0.254 0.000 2.117 454 K HA 0.489 4.809 4.320 -0.001 0.000 0.240 454 K C 0.864 177.675 176.600 0.351 0.000 1.031 454 K CA -0.325 56.120 56.287 0.263 0.000 0.909 454 K CB 0.432 33.089 32.500 0.263 0.000 1.097 454 K HN 0.341 nan 8.250 nan 0.000 0.492 455 K N 0.632 121.157 120.400 0.208 0.000 2.144 455 K HA 0.256 4.576 4.320 -0.001 0.000 0.270 455 K C -0.122 176.478 176.600 0.000 0.000 1.005 455 K CA -0.349 56.023 56.287 0.142 0.000 0.932 455 K CB 1.122 33.670 32.500 0.080 0.000 1.021 455 K HN 0.706 nan 8.250 nan 0.000 0.462 456 S N 0.359 115.969 115.700 -0.151 0.000 2.548 456 S HA 0.536 5.006 4.470 -0.001 0.000 0.286 456 S C -0.695 173.666 174.600 -0.400 0.000 1.098 456 S CA -0.973 56.943 58.200 -0.473 0.000 0.930 456 S CB 1.006 63.481 63.200 -1.208 0.000 1.070 456 S HN 0.589 nan 8.310 nan 0.000 0.480 457 c N 3.302 121.630 118.600 -0.455 0.000 2.382 457 c HA 0.785 5.355 4.570 -0.001 0.000 0.327 457 c C -0.485 173.386 174.090 -0.364 0.000 1.250 457 c CA -0.508 55.645 56.329 -0.293 0.000 1.707 457 c CB 0.174 42.568 42.510 -0.193 0.000 2.272 457 c HN 0.916 nan 8.230 nan 0.000 0.506 458 H N 0.878 120.028 119.070 0.134 0.000 2.806 458 H HA 0.268 4.824 4.556 -0.000 0.000 0.367 458 H C 0.793 176.154 175.328 0.055 0.000 1.136 458 H CA -0.092 56.058 56.048 0.170 0.000 1.178 458 H CB 1.839 31.747 29.762 0.244 0.000 1.718 458 H HN 0.734 nan 8.280 nan 0.000 0.540 459 T N 0.375 114.993 114.554 0.106 0.000 2.652 459 T HA 0.063 4.412 4.350 -0.001 0.000 0.267 459 T C 1.061 175.683 174.700 -0.130 0.000 1.039 459 T CA 0.985 62.998 62.100 -0.146 0.000 1.153 459 T CB -0.006 68.656 68.868 -0.343 0.000 0.863 459 T HN 0.735 nan 8.240 nan 0.000 0.428 460 G N 0.117 108.909 108.800 -0.014 0.000 2.489 460 G HA2 0.462 4.422 3.960 -0.001 0.000 0.291 460 G HA3 0.462 4.422 3.960 -0.001 0.000 0.291 460 G C -1.146 173.693 174.900 -0.102 0.000 1.487 460 G CA -0.488 44.612 45.100 0.000 0.000 0.795 460 G HN 0.884 nan 8.290 nan 0.000 0.513 461 V N -0.404 119.318 119.914 -0.319 0.000 2.498 461 V HA 0.789 4.909 4.120 -0.001 0.000 0.279 461 V C 1.132 176.952 176.094 -0.455 0.000 1.048 461 V CA 0.977 62.757 62.300 -0.867 0.000 0.967 461 V CB 0.675 31.710 31.823 -1.314 0.000 0.988 461 V HN 2.794 nan 8.190 nan 0.000 0.473 462 G N 4.335 112.863 108.800 -0.453 0.000 2.231 462 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.206 462 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.206 462 G C 0.292 175.108 174.900 -0.141 0.000 0.996 462 G CA -0.005 44.891 45.100 -0.341 0.000 0.645 462 G HN 0.863 nan 8.290 nan 0.000 0.498 463 R N 0.947 121.491 120.500 0.074 0.000 2.428 463 R HA 0.598 4.938 4.340 -0.001 0.000 0.294 463 R C 1.585 177.985 176.300 0.166 0.000 1.000 463 R CA 0.032 56.215 56.100 0.139 0.000 0.960 463 R CB 0.944 31.299 30.300 0.093 0.000 1.076 463 R HN 0.143 nan 8.270 nan 0.000 0.475 464 T N 1.705 116.380 114.554 0.202 0.000 2.486 464 T HA -0.314 4.035 4.350 -0.001 0.000 0.257 464 T C 1.968 176.785 174.700 0.194 0.000 1.175 464 T CA 1.956 64.191 62.100 0.226 0.000 1.207 464 T CB -0.391 68.570 68.868 0.156 0.000 0.864 464 T HN 0.757 nan 8.240 nan 0.000 0.405 465 A N 1.741 124.706 122.820 0.242 0.000 1.917 465 A HA 0.130 4.449 4.320 -0.001 0.000 0.219 465 A C 2.252 179.965 177.584 0.215 0.000 1.182 465 A CA 2.089 54.281 52.037 0.258 0.000 0.633 465 A CB -1.205 18.012 19.000 0.361 0.000 0.819 465 A HN 0.643 nan 8.150 nan 0.000 0.448 466 A N -1.903 121.019 122.820 0.169 0.000 3.702 466 A HA 0.253 4.572 4.320 -0.001 0.000 0.175 466 A C 1.660 179.317 177.584 0.121 0.000 1.741 466 A CA 0.304 52.487 52.037 0.245 0.000 0.912 466 A CB -1.437 17.729 19.000 0.276 0.000 1.154 466 A HN 0.643 nan 8.150 nan 0.000 0.420 467 W N 0.564 121.751 121.300 -0.188 0.000 2.308 467 W HA -0.367 4.293 4.660 -0.000 0.000 0.343 467 W C 2.039 178.409 176.519 -0.250 0.000 1.408 467 W CA 2.589 59.749 57.345 -0.309 0.000 1.237 467 W CB -0.731 28.568 29.460 -0.268 0.000 1.057 467 W HN 0.591 nan 8.180 nan 0.000 0.487 468 N N 0.037 118.791 118.700 0.090 0.000 2.132 468 N HA -0.229 4.511 4.740 -0.001 0.000 0.191 468 N C 1.359 176.864 175.510 -0.007 0.000 1.015 468 N CA 2.284 55.335 53.050 0.001 0.000 0.864 468 N CB -0.862 37.699 38.487 0.122 0.000 1.006 468 N HN 0.227 nan 8.380 nan 0.000 0.430 469 I N 0.814 121.402 120.570 0.030 0.000 2.339 469 I HA -0.058 4.111 4.170 -0.001 0.000 0.245 469 I C -0.681 175.411 176.117 -0.042 0.000 1.096 469 I CA 0.956 62.278 61.300 0.037 0.000 1.408 469 I CB -2.134 35.914 38.000 0.080 0.000 1.092 469 I HN 0.068 nan 8.210 nan 0.000 0.423 470 P HA -0.087 nan 4.420 nan 0.000 0.213 470 P C 1.874 179.022 177.300 -0.254 0.000 1.169 470 P CA 1.258 64.258 63.100 -0.165 0.000 0.885 470 P CB -0.086 31.230 31.700 -0.641 0.000 0.779 471 M N 0.026 119.286 119.600 -0.567 0.000 2.143 471 M HA -0.099 4.381 4.480 -0.001 0.000 0.258 471 M C 2.407 178.504 176.300 -0.339 0.000 1.071 471 M CA 1.957 56.813 55.300 -0.739 0.000 1.088 471 M CB -2.615 29.061 32.600 -1.540 0.000 1.360 471 M HN 0.045 nan 8.290 nan 0.000 0.404 472 G N -0.647 108.024 108.800 -0.214 0.000 2.422 472 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.218 472 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.218 472 G C 1.730 176.688 174.900 0.097 0.000 1.140 472 G CA 0.370 45.470 45.100 0.000 0.000 0.775 472 G HN 0.437 nan 8.290 nan 0.000 0.545 473 L N -0.238 121.026 121.223 0.070 0.000 2.131 473 L HA 0.147 4.486 4.340 -0.001 0.000 0.206 473 L C 2.798 179.762 176.870 0.157 0.000 1.087 473 L CA 0.324 55.248 54.840 0.140 0.000 0.767 473 L CB -0.265 41.922 42.059 0.213 0.000 0.917 473 L HN 0.156 nan 8.230 nan 0.000 0.441 474 L N -1.245 120.033 121.223 0.092 0.000 2.005 474 L HA -0.209 4.130 4.340 -0.001 0.000 0.207 474 L C 2.535 179.485 176.870 0.133 0.000 1.072 474 L CA 1.072 55.908 54.840 -0.007 0.000 0.744 474 L CB -0.695 41.161 42.059 -0.337 0.000 0.895 474 L HN 0.179 nan 8.230 nan 0.000 0.433 475 F N 1.664 121.673 119.950 0.099 0.000 2.287 475 F HA -0.271 4.256 4.527 -0.000 0.000 0.301 475 F C 2.075 177.931 175.800 0.093 0.000 1.069 475 F CA 1.656 59.761 58.000 0.176 0.000 1.372 475 F CB -0.480 38.687 39.000 0.279 0.000 1.056 475 F HN 0.147 nan 8.300 nan 0.000 0.523 476 N N 0.254 118.875 118.700 -0.131 0.000 2.083 476 N HA -0.166 4.574 4.740 -0.001 0.000 0.190 476 N C 1.735 177.153 175.510 -0.153 0.000 1.047 476 N CA 1.728 54.643 53.050 -0.225 0.000 0.845 476 N CB -0.413 38.049 38.487 -0.041 0.000 1.025 476 N HN 0.328 nan 8.380 nan 0.000 0.428 477 Q N -1.070 118.716 119.800 -0.023 0.000 2.364 477 Q HA -0.032 4.308 4.340 -0.001 0.000 0.209 477 Q C 1.454 177.450 176.000 -0.007 0.000 0.977 477 Q CA 1.650 57.456 55.803 0.004 0.000 0.885 477 Q CB -0.026 28.749 28.738 0.062 0.000 0.941 477 Q HN 0.672 nan 8.270 nan 0.000 0.464 478 T N -5.784 108.771 114.554 0.002 0.000 2.990 478 T HA 0.270 4.619 4.350 -0.001 0.000 0.250 478 T C 1.546 176.215 174.700 -0.053 0.000 1.041 478 T CA 0.349 62.458 62.100 0.014 0.000 1.010 478 T CB 0.417 69.370 68.868 0.141 0.000 1.003 478 T HN 0.297 nan 8.240 nan 0.000 0.499 479 G N 1.209 109.902 108.800 -0.178 0.000 2.200 479 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.268 479 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.268 479 G C 0.171 175.061 174.900 -0.017 0.000 0.986 479 G CA 0.662 45.625 45.100 -0.229 0.000 0.677 479 G HN 1.131 nan 8.290 nan 0.000 0.532 480 S N -1.738 114.020 115.700 0.097 0.000 2.482 480 S HA 0.486 4.956 4.470 -0.001 0.000 0.303 480 S C 1.165 175.773 174.600 0.015 0.000 1.091 480 S CA 0.030 58.282 58.200 0.088 0.000 1.057 480 S CB 1.401 64.599 63.200 -0.003 0.000 1.031 480 S HN 0.552 nan 8.310 nan 0.000 0.485 481 c N 3.768 122.254 118.600 -0.191 0.000 2.576 481 c HA 0.267 4.837 4.570 -0.001 0.000 0.267 481 c C 1.033 174.666 174.090 -0.761 0.000 1.364 481 c CA -0.144 55.764 56.329 -0.702 0.000 1.723 481 c CB -1.798 40.432 42.510 -0.465 0.000 1.778 481 c HN 0.720 nan 8.230 nan 0.000 0.572 482 K N 1.169 121.347 120.400 -0.369 0.000 2.110 482 K HA 0.123 4.442 4.320 -0.001 0.000 0.260 482 K C 0.270 176.831 176.600 -0.065 0.000 1.126 482 K CA -0.199 55.980 56.287 -0.179 0.000 1.005 482 K CB 0.013 32.473 32.500 -0.067 0.000 1.336 482 K HN 0.265 nan 8.250 nan 0.000 0.369 483 F N 1.362 121.370 119.950 0.098 0.000 2.163 483 F HA -0.156 4.371 4.527 -0.001 0.000 0.297 483 F C 2.098 178.012 175.800 0.190 0.000 1.094 483 F CA 1.009 59.078 58.000 0.115 0.000 1.290 483 F CB -0.265 38.793 39.000 0.096 0.000 1.017 483 F HN 0.523 nan 8.300 nan 0.000 0.483 484 D N 0.021 120.640 120.400 0.365 0.000 2.378 484 D HA -0.137 4.502 4.640 -0.001 0.000 0.227 484 D C 1.316 177.763 176.300 0.245 0.000 1.012 484 D CA 0.761 54.945 54.000 0.307 0.000 0.905 484 D CB -0.375 40.563 40.800 0.230 0.000 0.895 484 D HN 0.293 nan 8.370 nan 0.000 0.532 485 K N -1.350 119.173 120.400 0.205 0.000 2.367 485 K HA 0.101 4.420 4.320 -0.001 0.000 0.195 485 K C 1.288 177.947 176.600 0.099 0.000 1.060 485 K CA -0.358 56.002 56.287 0.122 0.000 1.022 485 K CB 0.159 32.686 32.500 0.044 0.000 0.894 485 K HN -0.060 nan 8.250 nan 0.000 0.540 486 F N 1.224 121.183 119.950 0.015 0.000 2.060 486 F HA 0.010 4.536 4.527 -0.001 0.000 0.295 486 F C 0.417 176.089 175.800 -0.213 0.000 1.120 486 F CA 0.982 58.883 58.000 -0.165 0.000 1.205 486 F CB 0.017 38.837 39.000 -0.302 0.000 0.986 486 F HN -0.246 nan 8.300 nan 0.000 0.470 487 F N 0.583 120.810 119.950 0.461 0.000 2.384 487 F HA 0.200 4.727 4.527 -0.001 0.000 0.338 487 F C 1.711 177.635 175.800 0.207 0.000 1.103 487 F CA -0.069 58.125 58.000 0.324 0.000 1.157 487 F CB 0.704 39.878 39.000 0.290 0.000 1.167 487 F HN -0.019 nan 8.300 nan 0.000 0.529 488 S N 1.562 117.464 115.700 0.337 0.000 2.444 488 S HA -0.193 4.277 4.470 -0.001 0.000 0.225 488 S C 0.453 175.175 174.600 0.204 0.000 1.042 488 S CA 0.959 59.283 58.200 0.206 0.000 1.132 488 S CB -0.433 62.865 63.200 0.164 0.000 1.099 488 S HN 0.734 nan 8.310 nan 0.000 0.417 489 Q N -0.529 119.391 119.800 0.201 0.000 2.496 489 Q HA 0.807 5.147 4.340 -0.001 0.000 0.286 489 Q C -1.256 174.856 176.000 0.186 0.000 1.103 489 Q CA -0.667 55.237 55.803 0.168 0.000 0.813 489 Q CB 2.363 31.170 28.738 0.115 0.000 1.444 489 Q HN 0.445 nan 8.270 nan 0.000 0.443 490 S N -0.591 115.211 115.700 0.170 0.000 2.636 490 S HA 0.501 4.971 4.470 -0.001 0.000 0.268 490 S C -1.918 172.776 174.600 0.157 0.000 1.159 490 S CA -0.608 57.690 58.200 0.164 0.000 0.815 490 S CB 1.519 64.887 63.200 0.280 0.000 1.130 490 S HN 0.698 nan 8.310 nan 0.000 0.471 491 c N 1.852 120.553 118.600 0.167 0.000 2.446 491 c HA 0.882 5.452 4.570 -0.001 0.000 0.329 491 c C -0.966 173.274 174.090 0.250 0.000 1.166 491 c CA 0.028 56.460 56.329 0.171 0.000 1.341 491 c CB -0.242 42.371 42.510 0.171 0.000 1.970 491 c HN 1.050 nan 8.230 nan 0.000 0.452 492 A N 7.448 130.401 122.820 0.222 0.000 2.872 492 A HA 0.634 4.954 4.320 -0.001 0.000 0.305 492 A C -3.071 174.557 177.584 0.073 0.000 1.171 492 A CA -0.764 51.398 52.037 0.208 0.000 0.782 492 A CB 0.504 19.635 19.000 0.219 0.000 1.329 492 A HN 0.634 nan 8.150 nan 0.000 0.432 493 P HA 0.341 nan 4.420 nan 0.000 0.266 493 P C 1.219 178.540 177.300 0.034 0.000 1.195 493 P CA 2.109 65.273 63.100 0.107 0.000 0.768 493 P CB 0.857 32.711 31.700 0.256 0.000 0.838 494 G N 0.810 109.604 108.800 -0.011 0.000 2.201 494 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.212 494 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.212 494 G C 0.419 175.264 174.900 -0.092 0.000 0.994 494 G CA 0.014 45.084 45.100 -0.051 0.000 0.644 494 G HN 0.828 nan 8.290 nan 0.000 0.508 495 A N 0.005 122.770 122.820 -0.092 0.000 2.259 495 A HA 0.596 4.916 4.320 -0.001 0.000 0.278 495 A C 0.324 177.892 177.584 -0.026 0.000 1.107 495 A CA 0.584 52.574 52.037 -0.079 0.000 0.828 495 A CB 0.165 19.137 19.000 -0.046 0.000 1.111 495 A HN 0.599 nan 8.150 nan 0.000 0.498 496 D N 0.304 120.702 120.400 -0.002 0.000 2.412 496 D HA 0.136 4.775 4.640 -0.001 0.000 0.257 496 D C -1.213 175.096 176.300 0.014 0.000 1.217 496 D CA -1.143 52.862 54.000 0.009 0.000 0.897 496 D CB 0.710 41.524 40.800 0.024 0.000 1.132 496 D HN 0.158 nan 8.370 nan 0.000 0.493 497 P HA -0.200 nan 4.420 nan 0.000 0.220 497 P C 0.475 177.783 177.300 0.013 0.000 1.144 497 P CA 1.253 64.356 63.100 0.005 0.000 0.800 497 P CB 0.258 31.955 31.700 -0.004 0.000 0.772 498 Q N -0.268 119.542 119.800 0.017 0.000 2.319 498 Q HA 0.094 4.433 4.340 -0.001 0.000 0.202 498 Q C 1.062 177.084 176.000 0.036 0.000 0.896 498 Q CA -0.034 55.783 55.803 0.022 0.000 0.942 498 Q CB 0.260 29.009 28.738 0.017 0.000 1.083 498 Q HN 0.272 nan 8.270 nan 0.000 0.510 499 S N -0.511 115.217 115.700 0.047 0.000 2.713 499 S HA 0.170 4.639 4.470 -0.001 0.000 0.283 499 S C 1.316 175.968 174.600 0.086 0.000 1.161 499 S CA -0.123 58.118 58.200 0.070 0.000 0.999 499 S CB 1.638 64.888 63.200 0.084 0.000 1.039 499 S HN 0.197 nan 8.310 nan 0.000 0.548 500 S N 1.526 117.291 115.700 0.109 0.000 2.400 500 S HA -0.126 4.343 4.470 -0.001 0.000 0.232 500 S C 1.841 176.534 174.600 0.155 0.000 1.025 500 S CA 1.229 59.505 58.200 0.127 0.000 0.993 500 S CB -1.139 62.150 63.200 0.149 0.000 0.808 500 S HN 0.678 nan 8.310 nan 0.000 0.478 501 L N 0.477 121.808 121.223 0.181 0.000 2.079 501 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 501 L C 2.316 179.276 176.870 0.150 0.000 1.081 501 L CA 1.003 55.970 54.840 0.212 0.000 0.752 501 L CB -0.787 41.399 42.059 0.212 0.000 0.896 501 L HN 0.448 nan 8.230 nan 0.000 0.433 502 c N -0.526 118.133 118.600 0.097 0.000 2.626 502 c HA 0.240 4.809 4.570 -0.001 0.000 0.266 502 c C 2.787 176.904 174.090 0.045 0.000 1.317 502 c CA -0.034 56.331 56.329 0.060 0.000 1.716 502 c CB -1.210 41.320 42.510 0.033 0.000 1.819 502 c HN 0.527 nan 8.230 nan 0.000 0.578 503 A N 1.198 124.057 122.820 0.065 0.000 1.858 503 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 503 A C 1.960 179.560 177.584 0.026 0.000 1.190 503 A CA 1.428 53.494 52.037 0.048 0.000 0.617 503 A CB -0.484 18.556 19.000 0.068 0.000 0.827 503 A HN 0.589 nan 8.150 nan 0.000 0.443 504 L N -0.088 121.162 121.223 0.044 0.000 2.465 504 L HA -0.058 4.282 4.340 -0.001 0.000 0.224 504 L C 0.908 177.735 176.870 -0.071 0.000 1.145 504 L CA -0.517 54.341 54.840 0.030 0.000 0.834 504 L CB -0.978 41.136 42.059 0.092 0.000 0.944 504 L HN 0.363 nan 8.230 nan 0.000 0.451 505 c N -0.339 118.210 118.600 -0.085 0.000 2.801 505 c HA 0.081 4.651 4.570 -0.001 0.000 0.376 505 c C 1.869 175.758 174.090 -0.335 0.000 1.323 505 c CA -0.437 55.758 56.329 -0.223 0.000 2.170 505 c CB 1.078 43.537 42.510 -0.086 0.000 2.650 505 c HN 0.245 nan 8.230 nan 0.000 0.736 506 V N 0.302 119.967 119.914 -0.415 0.000 3.411 506 V HA 0.407 4.526 4.120 -0.001 0.000 0.287 506 V C 0.952 176.936 176.094 -0.182 0.000 1.543 506 V CA 0.854 62.956 62.300 -0.331 0.000 1.028 506 V CB -0.796 30.733 31.823 -0.489 0.000 0.840 506 V HN 1.549 nan 8.190 nan 0.000 0.435 507 G N 2.507 111.223 108.800 -0.140 0.000 2.698 507 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.233 507 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.233 507 G C -0.069 174.794 174.900 -0.062 0.000 1.352 507 G CA 0.230 45.282 45.100 -0.080 0.000 0.879 507 G HN 0.814 nan 8.290 nan 0.000 0.567 508 N N -0.449 118.229 118.700 -0.037 0.000 2.318 508 N HA 0.205 4.944 4.740 -0.001 0.000 0.283 508 N C 1.476 176.979 175.510 -0.012 0.000 1.306 508 N CA 0.571 53.611 53.050 -0.016 0.000 0.941 508 N CB -0.022 38.459 38.487 -0.009 0.000 1.059 508 N HN 0.504 nan 8.380 nan 0.000 0.496 509 N N -0.533 118.170 118.700 0.004 0.000 2.084 509 N HA -0.121 4.619 4.740 -0.001 0.000 0.190 509 N C 0.030 175.542 175.510 0.003 0.000 1.030 509 N CA 1.037 54.093 53.050 0.011 0.000 0.849 509 N CB -0.265 38.236 38.487 0.023 0.000 1.012 509 N HN 0.618 nan 8.380 nan 0.000 0.423 510 E N 1.475 121.674 120.200 -0.001 0.000 2.304 510 E HA 0.102 4.452 4.350 -0.001 0.000 0.212 510 E C -0.452 176.140 176.600 -0.013 0.000 1.185 510 E CA -0.229 56.169 56.400 -0.004 0.000 1.326 510 E CB -0.453 29.246 29.700 -0.001 0.000 1.283 510 E HN 0.267 nan 8.360 nan 0.000 0.440 511 N N 1.707 120.394 118.700 -0.022 0.000 2.666 511 N HA -0.191 4.549 4.740 -0.001 0.000 0.248 511 N C -0.190 175.299 175.510 -0.035 0.000 1.118 511 N CA 0.852 53.880 53.050 -0.036 0.000 0.722 511 N CB -0.447 38.017 38.487 -0.039 0.000 1.050 511 N HN 0.403 nan 8.380 nan 0.000 0.550 512 E N 0.730 120.913 120.200 -0.028 0.000 2.267 512 E HA 0.265 4.614 4.350 -0.001 0.000 0.258 512 E C 0.552 177.132 176.600 -0.033 0.000 1.074 512 E CA -0.648 55.736 56.400 -0.027 0.000 0.915 512 E CB 0.414 30.102 29.700 -0.020 0.000 1.186 512 E HN 0.196 nan 8.360 nan 0.000 0.439 513 N N 0.669 119.349 118.700 -0.033 0.000 2.727 513 N HA -0.193 4.546 4.740 -0.001 0.000 0.251 513 N C -0.511 174.972 175.510 -0.045 0.000 1.040 513 N CA 0.433 53.460 53.050 -0.039 0.000 0.712 513 N CB -0.729 37.734 38.487 -0.041 0.000 0.912 513 N HN 0.248 nan 8.380 nan 0.000 0.545 514 K N 0.286 120.660 120.400 -0.044 0.000 2.322 514 K HA 0.257 4.577 4.320 -0.001 0.000 0.283 514 K C 0.882 177.459 176.600 -0.038 0.000 1.042 514 K CA 0.144 56.400 56.287 -0.051 0.000 0.958 514 K CB 0.783 33.254 32.500 -0.048 0.000 0.984 514 K HN 0.488 nan 8.250 nan 0.000 0.473 515 c N 2.797 121.378 118.600 -0.032 0.000 5.189 515 c HA -0.219 4.350 4.570 -0.001 0.000 0.253 515 c C 0.594 174.677 174.090 -0.012 0.000 1.601 515 c CA 0.580 56.905 56.329 -0.007 0.000 1.533 515 c CB -2.156 40.352 42.510 -0.004 0.000 2.164 515 c HN 1.024 nan 8.230 nan 0.000 0.604 516 M N 3.087 122.663 119.600 -0.040 0.000 2.260 516 M HA 0.180 4.660 4.480 -0.001 0.000 0.348 516 M C -1.406 174.822 176.300 -0.120 0.000 1.342 516 M CA -0.130 55.124 55.300 -0.076 0.000 1.040 516 M CB 0.505 33.050 32.600 -0.092 0.000 1.810 516 M HN 0.258 nan 8.290 nan 0.000 0.453 517 P HA 0.130 nan 4.420 nan 0.000 0.226 517 P C -1.845 175.043 177.300 -0.688 0.000 1.783 517 P CA 0.059 63.028 63.100 -0.219 0.000 0.980 517 P CB -0.812 30.847 31.700 -0.068 0.000 1.967 518 N N -1.275 116.836 118.700 -0.981 0.000 3.179 518 N HA 0.048 4.787 4.740 -0.001 0.000 0.250 518 N C 0.656 175.750 175.510 -0.693 0.000 1.507 518 N CA -0.626 51.841 53.050 -0.973 0.000 0.883 518 N CB -0.193 38.038 38.487 -0.427 0.000 1.435 518 N HN -0.211 nan 8.380 nan 0.000 0.532 519 S N -1.059 114.457 115.700 -0.306 0.000 2.440 519 S HA -0.153 4.316 4.470 -0.001 0.000 0.238 519 S C 1.041 175.638 174.600 -0.006 0.000 1.010 519 S CA 0.877 59.065 58.200 -0.020 0.000 0.972 519 S CB -0.560 62.679 63.200 0.065 0.000 0.774 519 S HN 0.586 nan 8.310 nan 0.000 0.501 520 E N 1.393 121.556 120.200 -0.060 0.000 2.097 520 E HA -0.162 4.188 4.350 -0.001 0.000 0.196 520 E C 0.873 177.463 176.600 -0.016 0.000 1.000 520 E CA 1.204 57.584 56.400 -0.034 0.000 0.804 520 E CB -0.281 29.385 29.700 -0.057 0.000 0.740 520 E HN 0.698 nan 8.360 nan 0.000 0.454 521 E N 1.307 121.493 120.200 -0.023 0.000 2.220 521 E HA -0.034 4.315 4.350 -0.001 0.000 0.272 521 E C 0.547 177.202 176.600 0.091 0.000 1.099 521 E CA 0.153 56.563 56.400 0.016 0.000 0.907 521 E CB 0.305 30.026 29.700 0.036 0.000 1.022 521 E HN -0.022 nan 8.360 nan 0.000 0.428 522 R N 3.423 123.961 120.500 0.063 0.000 2.159 522 R HA -0.163 4.177 4.340 -0.001 0.000 0.237 522 R C 0.487 176.957 176.300 0.283 0.000 1.131 522 R CA 1.179 57.361 56.100 0.136 0.000 0.982 522 R CB -0.165 30.199 30.300 0.106 0.000 0.868 522 R HN 0.573 nan 8.270 nan 0.000 0.453 523 Y N -1.274 119.020 120.300 -0.010 0.000 2.468 523 Y HA 0.089 4.639 4.550 -0.001 0.000 0.268 523 Y C 0.295 176.219 175.900 0.040 0.000 1.177 523 Y CA -1.530 56.552 58.100 -0.030 0.000 1.265 523 Y CB -0.816 37.618 38.460 -0.045 0.000 1.103 523 Y HN 0.005 nan 8.280 nan 0.000 0.522 524 Y N 0.889 121.259 120.300 0.116 0.000 2.357 524 Y HA 0.450 4.999 4.550 -0.000 0.000 0.340 524 Y C 0.992 176.927 175.900 0.059 0.000 1.260 524 Y CA 0.656 58.797 58.100 0.068 0.000 1.425 524 Y CB 0.370 38.853 38.460 0.039 0.000 1.326 524 Y HN 0.340 nan 8.280 nan 0.000 0.580 525 G N 2.983 111.263 108.800 -0.867 0.000 2.796 525 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.571 525 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.571 525 G C -0.311 174.461 174.900 -0.213 0.000 1.370 525 G CA 0.069 44.825 45.100 -0.574 0.000 0.856 525 G HN 0.816 nan 8.290 nan 0.000 0.538 526 Y N 0.177 120.398 120.300 -0.130 0.000 2.293 526 Y HA -0.045 4.505 4.550 -0.000 0.000 0.291 526 Y C 3.355 179.227 175.900 -0.046 0.000 1.137 526 Y CA 2.229 60.282 58.100 -0.078 0.000 1.202 526 Y CB -0.435 37.963 38.460 -0.103 0.000 0.990 526 Y HN 0.614 nan 8.280 nan 0.000 0.537 527 T N -0.740 113.907 114.554 0.155 0.000 2.668 527 T HA -0.119 4.230 4.350 -0.001 0.000 0.258 527 T C 2.342 177.047 174.700 0.008 0.000 1.051 527 T CA 1.450 63.623 62.100 0.122 0.000 1.155 527 T CB -1.030 67.929 68.868 0.153 0.000 0.864 527 T HN 0.531 nan 8.240 nan 0.000 0.413 528 G N 1.274 110.058 108.800 -0.026 0.000 2.505 528 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.220 528 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.220 528 G C 1.805 176.588 174.900 -0.196 0.000 1.145 528 G CA 1.146 46.181 45.100 -0.109 0.000 0.761 528 G HN 0.591 nan 8.290 nan 0.000 0.571 529 A N -0.070 122.700 122.820 -0.083 0.000 1.972 529 A HA 0.074 4.394 4.320 -0.001 0.000 0.219 529 A C 2.157 179.674 177.584 -0.112 0.000 1.169 529 A CA 1.599 53.588 52.037 -0.079 0.000 0.635 529 A CB -0.441 18.550 19.000 -0.013 0.000 0.810 529 A HN 0.404 nan 8.150 nan 0.000 0.446 530 F N 0.100 119.908 119.950 -0.237 0.000 2.187 530 F HA 0.030 4.556 4.527 -0.001 0.000 0.295 530 F C 2.274 177.855 175.800 -0.366 0.000 1.091 530 F CA 1.384 59.236 58.000 -0.247 0.000 1.308 530 F CB -0.300 38.612 39.000 -0.146 0.000 1.030 530 F HN 0.191 nan 8.300 nan 0.000 0.487 531 R N -0.346 119.809 120.500 -0.574 0.000 2.096 531 R HA -0.259 4.080 4.340 -0.001 0.000 0.240 531 R C 2.610 178.364 176.300 -0.909 0.000 1.139 531 R CA 1.972 57.462 56.100 -1.017 0.000 0.952 531 R CB -1.277 28.197 30.300 -1.376 0.000 0.854 531 R HN 0.544 nan 8.270 nan 0.000 0.436 532 c N 0.578 118.506 118.600 -1.120 0.000 2.359 532 c HA -0.185 4.384 4.570 -0.001 0.000 0.277 532 c C 2.653 176.463 174.090 -0.468 0.000 1.192 532 c CA 1.344 57.069 56.329 -1.008 0.000 1.759 532 c CB -1.264 40.866 42.510 -0.634 0.000 2.038 532 c HN 0.697 nan 8.230 nan 0.000 0.448 533 L N 1.937 122.911 121.223 -0.415 0.000 2.043 533 L HA -0.039 4.301 4.340 -0.001 0.000 0.212 533 L C 2.512 179.223 176.870 -0.264 0.000 1.075 533 L CA 2.872 57.529 54.840 -0.304 0.000 0.752 533 L CB -0.878 40.973 42.059 -0.347 0.000 0.891 533 L HN 0.427 nan 8.230 nan 0.000 0.432 534 A N -1.222 121.355 122.820 -0.405 0.000 1.970 534 A HA -0.080 4.240 4.320 -0.001 0.000 0.216 534 A C 1.929 179.467 177.584 -0.077 0.000 1.170 534 A CA 1.188 53.102 52.037 -0.205 0.000 0.645 534 A CB -0.471 18.395 19.000 -0.224 0.000 0.816 534 A HN 0.622 nan 8.150 nan 0.000 0.447 535 E N -0.186 119.929 120.200 -0.141 0.000 2.403 535 E HA 0.070 4.420 4.350 -0.001 0.000 0.187 535 E C -0.403 176.195 176.600 -0.002 0.000 1.073 535 E CA -0.154 56.227 56.400 -0.032 0.000 0.888 535 E CB -0.101 29.586 29.700 -0.022 0.000 1.035 535 E HN 0.485 nan 8.360 nan 0.000 0.471 536 K N -1.081 119.301 120.400 -0.030 0.000 3.130 536 K HA -0.261 4.059 4.320 -0.001 0.000 0.282 536 K C 0.854 177.462 176.600 0.013 0.000 1.145 536 K CA 0.450 56.732 56.287 -0.008 0.000 0.831 536 K CB -1.266 31.238 32.500 0.008 0.000 1.226 536 K HN 0.262 nan 8.250 nan 0.000 0.478 537 A N 0.290 123.126 122.820 0.027 0.000 2.218 537 A HA 0.300 4.619 4.320 -0.001 0.000 0.209 537 A C 0.875 178.490 177.584 0.052 0.000 1.168 537 A CA 1.111 53.198 52.037 0.084 0.000 0.804 537 A CB 0.422 19.562 19.000 0.233 0.000 0.834 537 A HN 0.412 nan 8.150 nan 0.000 0.482 538 G N -1.771 107.023 108.800 -0.010 0.000 2.696 538 G HA2 0.465 4.424 3.960 -0.001 0.000 0.295 538 G HA3 0.465 4.424 3.960 -0.001 0.000 0.295 538 G C -0.753 174.114 174.900 -0.056 0.000 1.398 538 G CA -0.231 44.847 45.100 -0.038 0.000 0.920 538 G HN -0.083 nan 8.290 nan 0.000 0.492 539 D N -0.751 119.621 120.400 -0.047 0.000 2.338 539 D HA 0.089 4.729 4.640 -0.001 0.000 0.208 539 D C 0.593 176.849 176.300 -0.073 0.000 0.997 539 D CA 0.697 54.680 54.000 -0.029 0.000 0.880 539 D CB 1.455 42.272 40.800 0.028 0.000 0.980 539 D HN 0.206 nan 8.370 nan 0.000 0.509 540 V N 0.145 119.956 119.914 -0.172 0.000 2.709 540 V HA 0.706 4.826 4.120 -0.001 0.000 0.308 540 V C -1.650 174.126 176.094 -0.530 0.000 1.062 540 V CA -0.758 61.352 62.300 -0.317 0.000 0.901 540 V CB 1.842 33.480 31.823 -0.308 0.000 1.003 540 V HN 0.073 nan 8.190 nan 0.000 0.425 541 A N 5.873 128.371 122.820 -0.536 0.000 2.355 541 A HA 0.893 5.212 4.320 -0.001 0.000 0.317 541 A C -1.379 175.881 177.584 -0.540 0.000 1.094 541 A CA -0.404 51.362 52.037 -0.452 0.000 0.764 541 A CB 1.081 19.969 19.000 -0.186 0.000 1.230 541 A HN 0.737 nan 8.150 nan 0.000 0.448 542 F N 2.559 122.508 119.950 -0.003 0.000 2.332 542 F HA 0.539 5.066 4.527 -0.000 0.000 0.368 542 F C 0.523 176.377 175.800 0.091 0.000 1.110 542 F CA -0.297 57.753 58.000 0.083 0.000 1.087 542 F CB 1.654 40.743 39.000 0.148 0.000 1.235 542 F HN 0.553 nan 8.300 nan 0.000 0.470 543 V N -0.207 119.840 119.914 0.222 0.000 3.080 543 V HA 0.638 4.758 4.120 -0.001 0.000 0.311 543 V C -1.082 175.154 176.094 0.237 0.000 1.389 543 V CA -1.625 60.825 62.300 0.250 0.000 1.049 543 V CB 1.943 33.882 31.823 0.194 0.000 1.078 543 V HN 0.521 nan 8.190 nan 0.000 0.468 544 K N 0.188 120.712 120.400 0.207 0.000 2.110 544 K HA 0.407 4.727 4.320 -0.001 0.000 0.263 544 K C 0.564 177.138 176.600 -0.043 0.000 0.975 544 K CA 0.117 56.444 56.287 0.066 0.000 0.895 544 K CB 1.479 33.886 32.500 -0.155 0.000 1.060 544 K HN 0.772 nan 8.250 nan 0.000 0.448 545 D N 2.435 122.825 120.400 -0.017 0.000 2.268 545 D HA -0.288 4.352 4.640 -0.001 0.000 0.189 545 D C 1.614 177.833 176.300 -0.136 0.000 1.010 545 D CA 1.714 55.682 54.000 -0.053 0.000 0.862 545 D CB -0.980 39.809 40.800 -0.017 0.000 0.943 545 D HN 0.306 nan 8.370 nan 0.000 0.451 546 V N 1.364 121.182 119.914 -0.160 0.000 2.363 546 V HA -0.314 3.805 4.120 -0.001 0.000 0.254 546 V C 2.797 178.722 176.094 -0.282 0.000 1.074 546 V CA 2.559 64.736 62.300 -0.206 0.000 1.069 546 V CB -1.127 30.561 31.823 -0.226 0.000 0.659 546 V HN 0.382 nan 8.190 nan 0.000 0.455 547 T N -0.109 114.245 114.554 -0.333 0.000 2.721 547 T HA -0.208 4.142 4.350 -0.001 0.000 0.268 547 T C 1.795 176.094 174.700 -0.668 0.000 1.038 547 T CA 1.770 63.622 62.100 -0.414 0.000 1.145 547 T CB -0.302 68.375 68.868 -0.318 0.000 0.858 547 T HN 0.387 nan 8.240 nan 0.000 0.459 548 V N 1.692 121.213 119.914 -0.656 0.000 2.229 548 V HA -0.128 3.992 4.120 -0.001 0.000 0.243 548 V C 2.553 178.371 176.094 -0.461 0.000 1.042 548 V CA 1.496 63.311 62.300 -0.809 0.000 1.000 548 V CB -0.955 30.639 31.823 -0.381 0.000 0.637 548 V HN 0.431 nan 8.190 nan 0.000 0.446 549 L N -0.130 120.935 121.223 -0.263 0.000 2.064 549 L HA -0.333 4.006 4.340 -0.001 0.000 0.216 549 L C 2.568 179.341 176.870 -0.162 0.000 1.077 549 L CA 2.050 56.793 54.840 -0.162 0.000 0.766 549 L CB -0.860 41.126 42.059 -0.122 0.000 0.890 549 L HN 0.473 nan 8.230 nan 0.000 0.435 550 Q N -0.603 119.075 119.800 -0.203 0.000 2.482 550 Q HA -0.017 4.323 4.340 -0.001 0.000 0.209 550 Q C 0.857 176.775 176.000 -0.137 0.000 0.961 550 Q CA 0.354 56.063 55.803 -0.157 0.000 0.945 550 Q CB 0.141 28.784 28.738 -0.159 0.000 1.012 550 Q HN 0.540 nan 8.270 nan 0.000 0.515 551 N N 0.168 118.768 118.700 -0.166 0.000 2.143 551 N HA 0.034 4.774 4.740 -0.001 0.000 0.229 551 N C -0.378 175.113 175.510 -0.032 0.000 1.294 551 N CA 0.298 53.297 53.050 -0.086 0.000 0.883 551 N CB 1.471 40.002 38.487 0.074 0.000 1.148 551 N HN 0.153 nan 8.380 nan 0.000 0.511 552 T N -2.076 112.462 114.554 -0.026 0.000 2.924 552 T HA 0.424 4.774 4.350 -0.001 0.000 0.291 552 T C -0.662 174.044 174.700 0.011 0.000 1.045 552 T CA -0.332 61.801 62.100 0.056 0.000 1.015 552 T CB 2.339 71.297 68.868 0.150 0.000 1.103 552 T HN -0.091 nan 8.240 nan 0.000 0.496 553 D N 0.239 120.654 120.400 0.026 0.000 2.760 553 D HA -0.080 4.560 4.640 -0.001 0.000 0.244 553 D C 1.306 177.591 176.300 -0.025 0.000 1.096 553 D CA 1.983 55.986 54.000 0.005 0.000 0.716 553 D CB -1.617 39.187 40.800 0.007 0.000 1.075 553 D HN 1.551 nan 8.370 nan 0.000 0.434 554 G N -0.150 108.625 108.800 -0.041 0.000 2.382 554 G HA2 -0.537 3.423 3.960 -0.001 0.000 0.259 554 G HA3 -0.537 3.423 3.960 -0.001 0.000 0.259 554 G C 1.402 176.256 174.900 -0.078 0.000 1.009 554 G CA 1.422 46.485 45.100 -0.061 0.000 0.625 554 G HN 0.550 nan 8.290 nan 0.000 0.541 555 K N 0.388 120.746 120.400 -0.071 0.000 2.052 555 K HA -0.180 4.140 4.320 -0.001 0.000 0.215 555 K C 1.273 177.816 176.600 -0.095 0.000 1.053 555 K CA 1.542 57.784 56.287 -0.075 0.000 0.934 555 K CB -0.152 32.305 32.500 -0.072 0.000 0.717 555 K HN 0.626 nan 8.250 nan 0.000 0.450 556 N N -0.625 117.992 118.700 -0.137 0.000 2.456 556 N HA 0.040 4.780 4.740 -0.001 0.000 0.288 556 N C 0.225 175.597 175.510 -0.231 0.000 1.059 556 N CA -0.169 52.772 53.050 -0.182 0.000 0.946 556 N CB 1.128 39.463 38.487 -0.254 0.000 1.150 556 N HN 0.076 nan 8.380 nan 0.000 0.479 557 S N 1.616 117.201 115.700 -0.192 0.000 2.523 557 S HA 0.094 4.564 4.470 -0.001 0.000 0.217 557 S C 0.219 174.698 174.600 -0.202 0.000 0.996 557 S CA -0.372 57.724 58.200 -0.173 0.000 0.921 557 S CB 0.017 63.158 63.200 -0.098 0.000 0.829 557 S HN 0.634 nan 8.310 nan 0.000 0.495 558 E N 2.870 122.912 120.200 -0.264 0.000 2.502 558 E HA 0.072 4.422 4.350 -0.001 0.000 0.261 558 E C -1.602 174.817 176.600 -0.302 0.000 0.974 558 E CA -1.331 54.942 56.400 -0.211 0.000 0.936 558 E CB 0.467 30.103 29.700 -0.107 0.000 0.926 558 E HN 0.121 nan 8.360 nan 0.000 0.459 559 P HA -0.293 nan 4.420 nan 0.000 0.225 559 P C 1.085 178.372 177.300 -0.022 0.000 1.154 559 P CA 1.952 65.044 63.100 -0.014 0.000 0.933 559 P CB -0.245 31.508 31.700 0.088 0.000 0.790 560 W N -0.687 120.635 121.300 0.036 0.000 2.355 560 W HA -0.026 4.634 4.660 -0.000 0.000 0.309 560 W C 1.890 178.433 176.519 0.040 0.000 1.206 560 W CA 1.148 58.512 57.345 0.032 0.000 1.284 560 W CB -1.836 27.640 29.460 0.027 0.000 1.145 560 W HN -0.087 nan 8.180 nan 0.000 0.502 561 A N 1.645 123.728 122.820 -1.227 0.000 1.832 561 A HA -0.186 4.134 4.320 -0.001 0.000 0.214 561 A C 2.106 179.434 177.584 -0.427 0.000 1.200 561 A CA 2.501 53.861 52.037 -1.128 0.000 0.610 561 A CB -1.259 16.789 19.000 -1.587 0.000 0.842 561 A HN 0.266 nan 8.150 nan 0.000 0.444 562 K N -1.000 119.184 120.400 -0.360 0.000 2.298 562 K HA -0.334 3.986 4.320 -0.001 0.000 0.206 562 K C 1.150 177.690 176.600 -0.100 0.000 0.807 562 K CA 2.483 58.661 56.287 -0.181 0.000 1.023 562 K CB -0.609 31.812 32.500 -0.131 0.000 1.086 562 K HN 0.526 nan 8.250 nan 0.000 0.566 563 D N 0.588 120.951 120.400 -0.061 0.000 2.363 563 D HA 0.020 4.659 4.640 -0.001 0.000 0.226 563 D C 0.453 176.768 176.300 0.024 0.000 1.020 563 D CA 0.402 54.393 54.000 -0.014 0.000 0.892 563 D CB -0.063 40.737 40.800 -0.001 0.000 0.900 563 D HN 0.218 nan 8.370 nan 0.000 0.531 564 L N 0.577 121.828 121.223 0.047 0.000 2.473 564 L HA 0.156 4.496 4.340 -0.001 0.000 0.268 564 L C 0.639 177.595 176.870 0.144 0.000 1.215 564 L CA 0.454 55.390 54.840 0.159 0.000 0.823 564 L CB 0.486 42.704 42.059 0.265 0.000 1.099 564 L HN -0.322 nan 8.230 nan 0.000 0.483 565 K N 1.171 121.694 120.400 0.205 0.000 2.513 565 K HA 0.202 4.521 4.320 -0.001 0.000 0.251 565 K C 0.094 176.843 176.600 0.249 0.000 0.939 565 K CA -0.624 55.753 56.287 0.151 0.000 0.793 565 K CB 2.161 34.701 32.500 0.067 0.000 1.241 565 K HN 0.465 nan 8.250 nan 0.000 0.431 566 Q N 1.077 121.005 119.800 0.214 0.000 2.325 566 Q HA -0.227 4.112 4.340 -0.001 0.000 0.211 566 Q C 0.829 176.964 176.000 0.225 0.000 0.988 566 Q CA 1.352 57.307 55.803 0.254 0.000 0.887 566 Q CB 0.083 28.895 28.738 0.123 0.000 0.915 566 Q HN 0.469 nan 8.270 nan 0.000 0.440 567 E N 1.129 121.399 120.200 0.117 0.000 2.106 567 E HA -0.149 4.201 4.350 -0.001 0.000 0.192 567 E C 1.166 177.748 176.600 -0.030 0.000 0.984 567 E CA 0.878 57.304 56.400 0.044 0.000 0.806 567 E CB -0.268 29.441 29.700 0.015 0.000 0.750 567 E HN 0.389 nan 8.360 nan 0.000 0.458 568 D N -0.268 120.050 120.400 -0.137 0.000 2.392 568 D HA -0.010 4.630 4.640 -0.001 0.000 0.228 568 D C -0.293 175.535 176.300 -0.786 0.000 1.003 568 D CA 0.508 54.226 54.000 -0.469 0.000 0.917 568 D CB -0.189 40.200 40.800 -0.685 0.000 0.890 568 D HN 0.074 nan 8.370 nan 0.000 0.532 569 F N 0.115 120.100 119.950 0.058 0.000 2.563 569 F HA 0.428 4.955 4.527 -0.000 0.000 0.316 569 F C 0.602 176.436 175.800 0.056 0.000 1.076 569 F CA -0.943 57.099 58.000 0.070 0.000 0.921 569 F CB 1.919 41.001 39.000 0.136 0.000 1.209 569 F HN -0.381 nan 8.300 nan 0.000 0.462 570 E N 1.662 122.017 120.200 0.259 0.000 2.433 570 E HA 0.673 5.023 4.350 -0.001 0.000 0.273 570 E C -1.599 175.086 176.600 0.142 0.000 0.950 570 E CA -1.053 55.439 56.400 0.154 0.000 0.796 570 E CB 3.123 32.879 29.700 0.094 0.000 1.330 570 E HN 0.389 nan 8.360 nan 0.000 0.455 571 L N 1.747 123.029 121.223 0.098 0.000 2.341 571 L HA 0.451 4.790 4.340 -0.001 0.000 0.278 571 L C -0.640 176.271 176.870 0.067 0.000 1.005 571 L CA -0.811 54.075 54.840 0.077 0.000 0.818 571 L CB 1.086 43.181 42.059 0.060 0.000 1.259 571 L HN 0.318 nan 8.230 nan 0.000 0.418 572 L N 2.976 124.246 121.223 0.080 0.000 2.342 572 L HA 0.264 4.604 4.340 -0.001 0.000 0.285 572 L C -0.186 176.693 176.870 0.016 0.000 1.095 572 L CA -0.369 54.535 54.840 0.107 0.000 0.843 572 L CB 0.553 42.749 42.059 0.228 0.000 1.201 572 L HN 0.693 nan 8.230 nan 0.000 0.445 573 c N 3.300 121.897 118.600 -0.006 0.000 2.534 573 c HA 0.126 4.696 4.570 -0.001 0.000 0.385 573 c C 2.175 176.169 174.090 -0.160 0.000 1.264 573 c CA -0.747 55.526 56.329 -0.093 0.000 2.342 573 c CB 0.840 43.314 42.510 -0.059 0.000 2.564 573 c HN 0.830 nan 8.230 nan 0.000 0.603 574 L N 1.618 122.669 121.223 -0.286 0.000 2.081 574 L HA -0.158 4.182 4.340 -0.001 0.000 0.212 574 L C 1.814 178.610 176.870 -0.124 0.000 1.080 574 L CA 1.692 56.311 54.840 -0.368 0.000 0.754 574 L CB -0.382 41.489 42.059 -0.313 0.000 0.893 574 L HN 0.832 nan 8.230 nan 0.000 0.433 575 D N -0.790 119.575 120.400 -0.059 0.000 2.519 575 D HA 0.095 4.735 4.640 -0.001 0.000 0.238 575 D C 1.339 177.673 176.300 0.057 0.000 1.192 575 D CA 0.581 54.587 54.000 0.010 0.000 0.835 575 D CB -0.097 40.699 40.800 -0.008 0.000 0.975 575 D HN 0.293 nan 8.370 nan 0.000 0.490 576 G N -0.203 108.661 108.800 0.106 0.000 2.284 576 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.261 576 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.261 576 G C 0.688 175.645 174.900 0.095 0.000 0.997 576 G CA 0.677 45.862 45.100 0.141 0.000 0.621 576 G HN 0.529 nan 8.290 nan 0.000 0.534 577 T N 0.877 115.462 114.554 0.053 0.000 2.795 577 T HA 0.518 4.868 4.350 -0.001 0.000 0.314 577 T C 0.584 175.311 174.700 0.045 0.000 1.069 577 T CA 0.226 62.349 62.100 0.038 0.000 1.071 577 T CB 0.926 69.802 68.868 0.013 0.000 0.988 577 T HN 0.480 nan 8.240 nan 0.000 0.543 578 R N 1.076 121.600 120.500 0.041 0.000 2.513 578 R HA 0.475 4.814 4.340 -0.001 0.000 0.301 578 R C -0.778 175.543 176.300 0.036 0.000 0.968 578 R CA -0.978 55.150 56.100 0.046 0.000 0.872 578 R CB 1.365 31.697 30.300 0.054 0.000 1.177 578 R HN 0.354 nan 8.270 nan 0.000 0.444 579 K N 2.530 122.952 120.400 0.037 0.000 2.375 579 K HA 0.492 4.812 4.320 -0.001 0.000 0.249 579 K C -2.695 173.934 176.600 0.048 0.000 0.942 579 K CA -2.562 53.745 56.287 0.034 0.000 0.806 579 K CB 2.015 34.529 32.500 0.024 0.000 1.227 579 K HN 0.248 nan 8.250 nan 0.000 0.430 580 P HA 0.061 nan 4.420 nan 0.000 0.272 580 P C 1.116 178.456 177.300 0.067 0.000 1.230 580 P CA -0.427 62.711 63.100 0.064 0.000 0.788 580 P CB 0.575 32.305 31.700 0.051 0.000 0.949 581 V N 1.595 121.563 119.914 0.090 0.000 2.252 581 V HA -0.366 3.754 4.120 -0.001 0.000 0.255 581 V C 2.330 178.448 176.094 0.040 0.000 1.071 581 V CA 2.887 65.229 62.300 0.070 0.000 1.050 581 V CB -1.965 29.902 31.823 0.074 0.000 0.654 581 V HN 0.713 nan 8.190 nan 0.000 0.448 582 A N -0.998 121.843 122.820 0.035 0.000 2.131 582 A HA -0.204 4.116 4.320 -0.001 0.000 0.220 582 A C 2.101 179.700 177.584 0.025 0.000 1.158 582 A CA 1.554 53.604 52.037 0.022 0.000 0.665 582 A CB -0.404 18.607 19.000 0.019 0.000 0.795 582 A HN 0.600 nan 8.150 nan 0.000 0.460 583 E N -0.323 119.896 120.200 0.031 0.000 2.482 583 E HA 0.037 4.387 4.350 -0.001 0.000 0.196 583 E C 2.138 178.763 176.600 0.042 0.000 1.047 583 E CA 0.628 57.047 56.400 0.031 0.000 0.869 583 E CB -0.359 29.358 29.700 0.028 0.000 0.836 583 E HN 0.610 nan 8.360 nan 0.000 0.520 584 A N 1.814 124.664 122.820 0.050 0.000 2.016 584 A HA -0.294 4.025 4.320 -0.001 0.000 0.225 584 A C 2.018 179.691 177.584 0.149 0.000 1.230 584 A CA 1.735 53.820 52.037 0.081 0.000 0.678 584 A CB -0.423 18.614 19.000 0.063 0.000 0.826 584 A HN 0.120 nan 8.150 nan 0.000 0.484 585 E N -0.323 119.947 120.200 0.117 0.000 2.265 585 E HA -0.054 4.296 4.350 -0.001 0.000 0.196 585 E C 1.050 177.763 176.600 0.188 0.000 0.996 585 E CA 1.063 57.565 56.400 0.169 0.000 0.832 585 E CB -0.108 29.641 29.700 0.081 0.000 0.756 585 E HN 0.523 nan 8.360 nan 0.000 0.491 586 S N -1.015 114.728 115.700 0.072 0.000 2.588 586 S HA 0.121 4.590 4.470 -0.001 0.000 0.245 586 S C 0.151 174.700 174.600 -0.085 0.000 1.021 586 S CA -0.297 57.892 58.200 -0.017 0.000 1.006 586 S CB 0.259 63.455 63.200 -0.007 0.000 0.830 586 S HN 0.216 nan 8.310 nan 0.000 0.468 587 c N 3.485 122.026 118.600 -0.098 0.000 3.034 587 c HA 0.226 4.795 4.570 -0.001 0.000 0.292 587 c C -0.314 173.728 174.090 -0.081 0.000 1.956 587 c CA -0.508 55.751 56.329 -0.118 0.000 1.141 587 c CB -1.213 41.275 42.510 -0.037 0.000 2.091 587 c HN 0.719 nan 8.230 nan 0.000 0.631 588 H N 0.023 119.067 119.070 -0.043 0.000 2.567 588 H HA 0.515 5.071 4.556 -0.001 0.000 0.345 588 H C 0.480 175.761 175.328 -0.078 0.000 1.169 588 H CA -0.820 55.206 56.048 -0.037 0.000 1.227 588 H CB 0.928 30.683 29.762 -0.013 0.000 1.607 588 H HN 0.320 nan 8.280 nan 0.000 0.534 589 L N 0.457 121.731 121.223 0.085 0.000 2.270 589 L HA 0.273 4.613 4.340 -0.001 0.000 0.210 589 L C 0.965 177.886 176.870 0.085 0.000 1.104 589 L CA 1.037 55.861 54.840 -0.027 0.000 0.804 589 L CB -0.084 41.957 42.059 -0.030 0.000 0.937 589 L HN 0.823 nan 8.230 nan 0.000 0.450 590 A N -0.095 122.845 122.820 0.201 0.000 2.452 590 A HA 0.570 4.890 4.320 -0.001 0.000 0.294 590 A C -1.346 176.211 177.584 -0.045 0.000 1.010 590 A CA -0.730 51.386 52.037 0.132 0.000 0.613 590 A CB 0.790 19.814 19.000 0.039 0.000 1.363 590 A HN 0.064 nan 8.150 nan 0.000 0.463 591 R N 0.542 120.955 120.500 -0.145 0.000 2.272 591 R HA 0.704 5.044 4.340 -0.001 0.000 0.323 591 R C -0.063 176.053 176.300 -0.306 0.000 1.002 591 R CA 0.588 56.537 56.100 -0.252 0.000 0.900 591 R CB 0.813 30.958 30.300 -0.257 0.000 1.151 591 R HN 1.553 nan 8.270 nan 0.000 0.507 592 A N 4.902 127.457 122.820 -0.442 0.000 2.246 592 A HA 0.687 5.007 4.320 -0.001 0.000 0.291 592 A C -2.360 174.803 177.584 -0.702 0.000 1.103 592 A CA -1.800 49.854 52.037 -0.639 0.000 0.844 592 A CB 0.321 18.913 19.000 -0.680 0.000 1.136 592 A HN 0.656 nan 8.150 nan 0.000 0.500 593 P HA 0.302 nan 4.420 nan 0.000 0.290 593 P C -0.930 176.253 177.300 -0.196 0.000 1.276 593 P CA -0.566 62.300 63.100 -0.390 0.000 0.808 593 P CB 0.634 32.121 31.700 -0.355 0.000 0.966 594 N N 0.670 119.371 118.700 0.001 0.000 2.344 594 N HA -0.012 4.728 4.740 -0.001 0.000 0.236 594 N C 0.303 176.119 175.510 0.511 0.000 1.279 594 N CA 0.369 53.599 53.050 0.301 0.000 0.882 594 N CB -0.181 38.460 38.487 0.258 0.000 1.110 594 N HN 0.500 nan 8.380 nan 0.000 0.436 595 H N -0.353 118.938 119.070 0.367 0.000 2.745 595 H HA 0.431 4.986 4.556 -0.000 0.000 0.373 595 H C -0.242 175.236 175.328 0.251 0.000 1.226 595 H CA -0.502 55.730 56.048 0.307 0.000 1.435 595 H CB 0.619 30.535 29.762 0.257 0.000 1.461 595 H HN 0.579 nan 8.280 nan 0.000 0.616 596 A N 1.399 124.400 122.820 0.302 0.000 2.572 596 A HA 0.436 4.756 4.320 -0.001 0.000 0.295 596 A C -0.986 176.657 177.584 0.098 0.000 1.072 596 A CA -0.692 51.415 52.037 0.116 0.000 0.691 596 A CB 1.207 20.074 19.000 -0.222 0.000 1.291 596 A HN 0.409 nan 8.150 nan 0.000 0.404 597 V N 1.370 121.349 119.914 0.108 0.000 2.546 597 V HA 0.526 4.646 4.120 -0.001 0.000 0.284 597 V C 0.288 176.394 176.094 0.019 0.000 1.050 597 V CA -0.033 62.341 62.300 0.124 0.000 0.981 597 V CB 1.056 33.047 31.823 0.279 0.000 0.990 597 V HN 1.214 nan 8.190 nan 0.000 0.474 598 V N 2.028 121.921 119.914 -0.036 0.000 2.914 598 V HA 1.063 5.183 4.120 -0.001 0.000 0.314 598 V C -0.365 175.692 176.094 -0.063 0.000 1.084 598 V CA -0.341 61.934 62.300 -0.041 0.000 0.963 598 V CB 1.931 33.734 31.823 -0.035 0.000 1.025 598 V HN 1.032 nan 8.190 nan 0.000 0.432 599 S N 1.776 117.459 115.700 -0.028 0.000 2.643 599 S HA 0.520 4.989 4.470 -0.001 0.000 0.270 599 S C -1.129 173.468 174.600 -0.004 0.000 1.166 599 S CA -1.073 57.112 58.200 -0.025 0.000 0.815 599 S CB 1.672 64.873 63.200 0.001 0.000 1.139 599 S HN 0.902 nan 8.310 nan 0.000 0.472 600 Q N 1.470 121.268 119.800 -0.004 0.000 2.337 600 Q HA 0.174 4.514 4.340 -0.001 0.000 0.270 600 Q C 1.320 177.330 176.000 0.016 0.000 1.002 600 Q CA 0.518 56.324 55.803 0.006 0.000 0.888 600 Q CB 1.067 29.806 28.738 0.002 0.000 1.222 600 Q HN 0.969 nan 8.270 nan 0.000 0.400 601 S N 1.174 116.886 115.700 0.021 0.000 2.488 601 S HA -0.214 4.256 4.470 -0.001 0.000 0.246 601 S C 1.018 175.634 174.600 0.028 0.000 0.992 601 S CA 1.457 59.673 58.200 0.027 0.000 0.963 601 S CB 0.059 63.276 63.200 0.028 0.000 0.754 601 S HN 0.582 nan 8.310 nan 0.000 0.519 602 D N 1.964 122.376 120.400 0.021 0.000 2.077 602 D HA -0.032 4.607 4.640 -0.001 0.000 0.193 602 D C 2.289 178.601 176.300 0.020 0.000 0.989 602 D CA 1.101 55.111 54.000 0.016 0.000 0.831 602 D CB -0.018 40.785 40.800 0.005 0.000 0.979 602 D HN 0.217 nan 8.370 nan 0.000 0.449 603 R N 0.417 120.928 120.500 0.018 0.000 2.236 603 R HA 0.186 4.525 4.340 -0.001 0.000 0.208 603 R C 2.067 178.418 176.300 0.086 0.000 1.036 603 R CA 0.660 56.781 56.100 0.036 0.000 1.001 603 R CB -0.628 29.683 30.300 0.017 0.000 0.896 603 R HN 0.148 nan 8.270 nan 0.000 0.464 604 A N 1.657 124.514 122.820 0.062 0.000 1.929 604 A HA -0.328 3.991 4.320 -0.001 0.000 0.221 604 A C 2.210 179.838 177.584 0.073 0.000 1.211 604 A CA 2.049 54.123 52.037 0.062 0.000 0.657 604 A CB -0.600 18.426 19.000 0.043 0.000 0.827 604 A HN 0.405 nan 8.150 nan 0.000 0.462 605 Q N -1.914 117.936 119.800 0.084 0.000 2.046 605 Q HA -0.218 4.121 4.340 -0.001 0.000 0.200 605 Q C 2.221 178.290 176.000 0.115 0.000 0.975 605 Q CA 1.510 57.366 55.803 0.088 0.000 0.836 605 Q CB -0.299 28.490 28.738 0.086 0.000 0.896 605 Q HN 0.927 nan 8.270 nan 0.000 0.428 606 H N 0.317 119.407 119.070 0.034 0.000 2.293 606 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 606 H C 2.094 177.446 175.328 0.041 0.000 1.082 606 H CA 1.377 57.447 56.048 0.036 0.000 1.308 606 H CB -0.178 29.601 29.762 0.029 0.000 1.375 606 H HN 0.282 nan 8.280 nan 0.000 0.495 607 L N 1.617 122.975 121.223 0.225 0.000 2.081 607 L HA -0.204 4.136 4.340 -0.001 0.000 0.212 607 L C 2.530 179.421 176.870 0.036 0.000 1.080 607 L CA 1.906 56.841 54.840 0.158 0.000 0.754 607 L CB -0.893 41.271 42.059 0.175 0.000 0.893 607 L HN 0.317 nan 8.230 nan 0.000 0.433 608 K N -0.266 120.124 120.400 -0.017 0.000 2.057 608 K HA -0.232 4.087 4.320 -0.001 0.000 0.206 608 K C 2.190 178.691 176.600 -0.166 0.000 1.050 608 K CA 1.455 57.642 56.287 -0.167 0.000 0.935 608 K CB 0.038 32.460 32.500 -0.131 0.000 0.715 608 K HN 0.199 nan 8.250 nan 0.000 0.439 609 K N 0.315 120.693 120.400 -0.036 0.000 1.978 609 K HA -0.149 4.171 4.320 -0.001 0.000 0.214 609 K C 1.905 178.514 176.600 0.016 0.000 1.049 609 K CA 1.758 58.064 56.287 0.031 0.000 0.939 609 K CB -0.198 32.284 32.500 -0.031 0.000 0.721 609 K HN -0.035 nan 8.250 nan 0.000 0.441 610 V N 1.930 121.786 119.914 -0.096 0.000 2.282 610 V HA -0.298 3.821 4.120 -0.001 0.000 0.249 610 V C 2.384 178.509 176.094 0.052 0.000 1.057 610 V CA 1.889 64.152 62.300 -0.060 0.000 1.032 610 V CB -0.404 31.337 31.823 -0.137 0.000 0.645 610 V HN 0.373 nan 8.190 nan 0.000 0.447 611 L N -1.667 119.589 121.223 0.056 0.000 2.083 611 L HA -0.179 4.161 4.340 -0.001 0.000 0.209 611 L C 2.432 179.395 176.870 0.156 0.000 1.083 611 L CA 1.488 56.391 54.840 0.104 0.000 0.752 611 L CB -0.561 41.536 42.059 0.063 0.000 0.899 611 L HN 0.274 nan 8.230 nan 0.000 0.433 612 F N -0.015 119.975 119.950 0.066 0.000 2.234 612 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 612 F C 2.261 178.067 175.800 0.009 0.000 1.087 612 F CA 0.886 58.909 58.000 0.039 0.000 1.340 612 F CB -0.596 38.426 39.000 0.037 0.000 1.031 612 F HN -0.042 nan 8.300 nan 0.000 0.500 613 L N -0.938 120.408 121.223 0.205 0.000 1.993 613 L HA -0.196 4.144 4.340 -0.001 0.000 0.206 613 L C 2.619 179.534 176.870 0.075 0.000 1.074 613 L CA 0.989 55.884 54.840 0.092 0.000 0.746 613 L CB -0.913 41.181 42.059 0.058 0.000 0.896 613 L HN 0.022 nan 8.230 nan 0.000 0.435 614 Q N 0.529 120.414 119.800 0.143 0.000 2.062 614 Q HA -0.311 4.029 4.340 -0.001 0.000 0.209 614 Q C 2.127 178.206 176.000 0.132 0.000 0.996 614 Q CA 2.500 58.451 55.803 0.247 0.000 0.859 614 Q CB -0.591 28.370 28.738 0.371 0.000 0.920 614 Q HN 0.712 nan 8.270 nan 0.000 0.415 615 Q N 0.084 119.900 119.800 0.026 0.000 2.224 615 Q HA -0.139 4.201 4.340 -0.001 0.000 0.203 615 Q C 1.052 176.991 176.000 -0.100 0.000 0.970 615 Q CA 1.499 57.223 55.803 -0.131 0.000 0.865 615 Q CB -0.040 28.655 28.738 -0.071 0.000 0.922 615 Q HN 0.151 nan 8.270 nan 0.000 0.445 616 D N 0.513 120.883 120.400 -0.050 0.000 2.183 616 D HA -0.127 4.513 4.640 -0.001 0.000 0.203 616 D C 1.775 177.957 176.300 -0.196 0.000 0.969 616 D CA 0.944 54.885 54.000 -0.098 0.000 0.842 616 D CB 0.035 40.791 40.800 -0.073 0.000 0.957 616 D HN 0.450 nan 8.370 nan 0.000 0.484 617 Q N -0.887 118.729 119.800 -0.307 0.000 1.984 617 Q HA -0.053 4.287 4.340 -0.001 0.000 0.196 617 Q C 0.595 176.139 176.000 -0.760 0.000 0.975 617 Q CA 0.990 56.401 55.803 -0.654 0.000 0.827 617 Q CB 0.110 28.245 28.738 -1.006 0.000 0.894 617 Q HN 0.241 nan 8.270 nan 0.000 0.438 618 F N -0.288 119.562 119.950 -0.167 0.000 2.772 618 F HA 0.402 4.929 4.527 -0.001 0.000 0.302 618 F C 0.818 176.429 175.800 -0.315 0.000 1.136 618 F CA -0.357 57.541 58.000 -0.170 0.000 1.322 618 F CB 0.013 38.948 39.000 -0.109 0.000 0.967 618 F HN 0.026 nan 8.300 nan 0.000 0.513 619 G N 0.349 109.019 108.800 -0.217 0.000 2.504 619 G HA2 0.344 4.303 3.960 -0.001 0.000 0.257 619 G HA3 0.344 4.303 3.960 -0.001 0.000 0.257 619 G C 1.356 176.168 174.900 -0.146 0.000 1.451 619 G CA -0.067 44.802 45.100 -0.386 0.000 1.059 619 G HN 0.274 nan 8.290 nan 0.000 0.550 620 G N -0.789 108.034 108.800 0.039 0.000 2.450 620 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.220 620 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.220 620 G C 1.026 175.942 174.900 0.026 0.000 1.130 620 G CA 1.007 46.175 45.100 0.113 0.000 0.760 620 G HN 0.596 nan 8.290 nan 0.000 0.557 621 N N -0.252 118.444 118.700 -0.007 0.000 2.365 621 N HA 0.292 5.032 4.740 -0.001 0.000 0.257 621 N C 0.562 176.039 175.510 -0.055 0.000 1.287 621 N CA -0.393 52.641 53.050 -0.026 0.000 0.882 621 N CB 1.206 39.678 38.487 -0.026 0.000 1.250 621 N HN 0.227 nan 8.380 nan 0.000 0.507 622 G N 1.388 110.146 108.800 -0.071 0.000 2.365 622 G HA2 0.111 4.071 3.960 -0.001 0.000 0.249 622 G HA3 0.111 4.071 3.960 -0.001 0.000 0.249 622 G C -1.652 173.191 174.900 -0.095 0.000 1.288 622 G CA -0.753 44.280 45.100 -0.112 0.000 0.887 622 G HN -0.012 nan 8.290 nan 0.000 0.524 623 P HA -0.049 nan 4.420 nan 0.000 0.218 623 P C 0.710 177.961 177.300 -0.081 0.000 1.148 623 P CA 1.022 64.065 63.100 -0.096 0.000 0.822 623 P CB 0.377 32.008 31.700 -0.115 0.000 0.784 624 D N -2.408 117.923 120.400 -0.115 0.000 2.491 624 D HA 0.043 4.682 4.640 -0.001 0.000 0.228 624 D C 1.270 177.617 176.300 0.078 0.000 1.183 624 D CA -0.160 53.822 54.000 -0.030 0.000 0.827 624 D CB -1.016 39.744 40.800 -0.067 0.000 0.989 624 D HN 0.082 nan 8.370 nan 0.000 0.494 625 c N 1.248 119.868 118.600 0.034 0.000 3.954 625 c HA -0.080 4.490 4.570 -0.001 0.000 0.296 625 c C -0.439 173.678 174.090 0.045 0.000 1.240 625 c CA 0.821 57.187 56.329 0.062 0.000 1.821 625 c CB -0.816 41.696 42.510 0.005 0.000 2.078 625 c HN 0.202 nan 8.230 nan 0.000 0.434 626 P HA 0.059 nan 4.420 nan 0.000 0.218 626 P C 1.417 178.725 177.300 0.014 0.000 1.148 626 P CA 2.090 65.187 63.100 -0.005 0.000 0.822 626 P CB -0.464 31.229 31.700 -0.011 0.000 0.784 627 G N 1.655 110.472 108.800 0.028 0.000 2.900 627 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.212 627 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.212 627 G C 1.260 176.202 174.900 0.071 0.000 1.359 627 G CA 1.958 47.082 45.100 0.040 0.000 0.800 627 G HN 0.428 nan 8.290 nan 0.000 0.680 628 K N -1.991 118.489 120.400 0.134 0.000 2.380 628 K HA 0.471 4.790 4.320 -0.001 0.000 0.198 628 K C -0.274 176.500 176.600 0.291 0.000 1.070 628 K CA -0.346 56.052 56.287 0.186 0.000 1.040 628 K CB 0.745 33.365 32.500 0.200 0.000 0.903 628 K HN 0.322 nan 8.250 nan 0.000 0.549 629 F N 0.464 120.483 119.950 0.116 0.000 2.714 629 F HA 0.276 4.803 4.527 -0.000 0.000 0.313 629 F C -2.098 173.709 175.800 0.012 0.000 1.104 629 F CA -1.234 56.763 58.000 -0.005 0.000 1.005 629 F CB 1.219 40.072 39.000 -0.246 0.000 1.268 629 F HN -0.044 nan 8.300 nan 0.000 0.449 630 c N 6.819 125.244 118.600 -0.291 0.000 2.344 630 c HA 0.399 4.968 4.570 -0.001 0.000 0.326 630 c C 1.176 175.068 174.090 -0.329 0.000 1.201 630 c CA -0.675 55.568 56.329 -0.143 0.000 1.410 630 c CB 0.393 42.807 42.510 -0.160 0.000 2.070 630 c HN 0.938 nan 8.230 nan 0.000 0.445 631 L N 2.925 124.076 121.223 -0.120 0.000 2.083 631 L HA 0.064 4.403 4.340 -0.001 0.000 0.209 631 L C 1.276 177.975 176.870 -0.284 0.000 1.083 631 L CA 2.220 56.873 54.840 -0.311 0.000 0.752 631 L CB -0.420 41.068 42.059 -0.953 0.000 0.899 631 L HN 0.623 nan 8.230 nan 0.000 0.433 632 F N 0.020 119.839 119.950 -0.218 0.000 2.777 632 F HA 0.360 4.887 4.527 -0.001 0.000 0.291 632 F C 0.529 176.271 175.800 -0.097 0.000 1.187 632 F CA -0.447 57.460 58.000 -0.154 0.000 1.406 632 F CB -0.904 38.009 39.000 -0.146 0.000 0.982 632 F HN -0.029 nan 8.300 nan 0.000 0.509 633 K N -0.697 119.723 120.400 0.033 0.000 2.532 633 K HA 0.594 4.914 4.320 -0.001 0.000 0.265 633 K C 0.063 176.626 176.600 -0.062 0.000 0.948 633 K CA -0.386 55.890 56.287 -0.019 0.000 0.842 633 K CB 1.970 34.435 32.500 -0.059 0.000 1.392 633 K HN -0.120 nan 8.250 nan 0.000 0.436 634 S N 0.628 116.310 115.700 -0.030 0.000 2.865 634 S HA 0.158 4.628 4.470 -0.001 0.000 0.229 634 S C -0.851 173.750 174.600 0.001 0.000 0.759 634 S CA -0.535 57.650 58.200 -0.026 0.000 1.142 634 S CB -0.374 62.834 63.200 0.013 0.000 1.380 634 S HN 0.729 nan 8.310 nan 0.000 0.525 635 E N 2.052 122.248 120.200 -0.006 0.000 2.264 635 E HA -0.214 4.135 4.350 -0.001 0.000 0.223 635 E C 0.512 177.137 176.600 0.042 0.000 1.220 635 E CA 0.643 57.049 56.400 0.010 0.000 0.692 635 E CB -2.182 27.527 29.700 0.017 0.000 1.203 635 E HN 1.390 nan 8.360 nan 0.000 0.384 636 T N -4.177 110.399 114.554 0.036 0.000 8.089 636 T HA -0.359 3.991 4.350 -0.001 0.000 0.315 636 T C 0.827 175.587 174.700 0.100 0.000 2.025 636 T CA 2.086 64.223 62.100 0.062 0.000 3.021 636 T CB -1.189 67.732 68.868 0.088 0.000 2.356 636 T HN 0.491 nan 8.240 nan 0.000 1.220 637 K N 1.456 121.915 120.400 0.099 0.000 2.486 637 K HA 0.106 4.425 4.320 -0.001 0.000 0.194 637 K C 0.787 177.466 176.600 0.132 0.000 1.033 637 K CA 0.380 56.742 56.287 0.123 0.000 1.004 637 K CB -0.141 32.426 32.500 0.111 0.000 0.798 637 K HN 0.519 nan 8.250 nan 0.000 0.495 638 N N 1.380 120.144 118.700 0.106 0.000 2.716 638 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 638 N C -0.673 174.930 175.510 0.155 0.000 1.033 638 N CA 0.801 53.920 53.050 0.116 0.000 0.727 638 N CB -1.436 37.124 38.487 0.122 0.000 0.950 638 N HN 0.270 nan 8.380 nan 0.000 0.541 639 L N 0.553 121.863 121.223 0.144 0.000 2.416 639 L HA 0.113 4.453 4.340 -0.001 0.000 0.272 639 L C 2.154 179.145 176.870 0.203 0.000 1.161 639 L CA -0.301 54.634 54.840 0.159 0.000 0.845 639 L CB 0.327 42.462 42.059 0.127 0.000 1.119 639 L HN 0.237 nan 8.230 nan 0.000 0.464 640 L N 0.673 122.013 121.223 0.195 0.000 4.373 640 L HA -0.364 3.976 4.340 -0.001 0.000 0.371 640 L C -0.205 176.594 176.870 -0.119 0.000 1.222 640 L CA 1.748 56.681 54.840 0.155 0.000 2.643 640 L CB -1.041 41.203 42.059 0.309 0.000 1.094 640 L HN 0.480 nan 8.230 nan 0.000 0.692 641 F N -1.476 118.596 119.950 0.203 0.000 2.664 641 F HA 0.442 4.968 4.527 -0.000 0.000 0.317 641 F C 0.568 176.405 175.800 0.062 0.000 1.108 641 F CA -0.994 57.100 58.000 0.156 0.000 0.957 641 F CB 0.593 39.679 39.000 0.144 0.000 1.365 641 F HN -0.153 nan 8.300 nan 0.000 0.475 642 N N 1.219 119.997 118.700 0.130 0.000 2.479 642 N HA 0.005 4.745 4.740 -0.001 0.000 0.257 642 N C 0.076 175.576 175.510 -0.018 0.000 1.232 642 N CA 0.184 53.222 53.050 -0.019 0.000 0.920 642 N CB 0.791 39.160 38.487 -0.197 0.000 1.105 642 N HN 0.603 nan 8.380 nan 0.000 0.444 643 D N 0.385 120.769 120.400 -0.026 0.000 2.392 643 D HA -0.094 4.546 4.640 -0.001 0.000 0.228 643 D C 0.810 177.074 176.300 -0.059 0.000 1.003 643 D CA 0.751 54.740 54.000 -0.017 0.000 0.917 643 D CB 0.007 40.796 40.800 -0.018 0.000 0.890 643 D HN 0.561 nan 8.370 nan 0.000 0.532 644 N N -0.378 118.251 118.700 -0.118 0.000 2.200 644 N HA -0.046 4.693 4.740 -0.001 0.000 0.224 644 N C -0.231 175.184 175.510 -0.158 0.000 1.179 644 N CA -0.193 52.782 53.050 -0.125 0.000 0.877 644 N CB -0.056 38.344 38.487 -0.146 0.000 1.072 644 N HN -0.300 nan 8.380 nan 0.000 0.519 645 T N 1.022 115.429 114.554 -0.245 0.000 2.870 645 T HA 0.033 4.383 4.350 -0.001 0.000 0.300 645 T C 0.997 175.473 174.700 -0.373 0.000 0.989 645 T CA -0.047 61.790 62.100 -0.439 0.000 1.139 645 T CB 2.038 70.376 68.868 -0.884 0.000 0.920 645 T HN 0.289 nan 8.240 nan 0.000 0.537 646 E N 1.147 121.219 120.200 -0.213 0.000 2.102 646 E HA 0.054 4.404 4.350 -0.001 0.000 0.190 646 E C 0.790 177.460 176.600 0.116 0.000 0.971 646 E CA 0.417 56.811 56.400 -0.011 0.000 0.821 646 E CB 0.363 30.058 29.700 -0.008 0.000 0.777 646 E HN 0.861 nan 8.360 nan 0.000 0.460 647 c N -1.885 116.702 118.600 -0.021 0.000 3.314 647 c HA 0.584 5.154 4.570 -0.001 0.000 0.344 647 c C -1.244 172.871 174.090 0.043 0.000 1.461 647 c CA -1.332 55.107 56.329 0.182 0.000 1.249 647 c CB 0.201 42.810 42.510 0.165 0.000 1.632 647 c HN 0.151 nan 8.230 nan 0.000 0.452 648 L N 2.370 123.722 121.223 0.215 0.000 2.262 648 L HA 0.668 5.008 4.340 -0.001 0.000 0.288 648 L C 0.799 177.812 176.870 0.238 0.000 1.035 648 L CA 0.063 55.020 54.840 0.197 0.000 0.820 648 L CB 1.123 43.329 42.059 0.244 0.000 1.204 648 L HN 1.044 nan 8.230 nan 0.000 0.424 649 A N 3.768 126.697 122.820 0.182 0.000 2.242 649 A HA 0.566 4.886 4.320 -0.001 0.000 0.304 649 A C -0.075 177.635 177.584 0.209 0.000 1.100 649 A CA -0.607 51.549 52.037 0.199 0.000 0.860 649 A CB 0.603 19.688 19.000 0.142 0.000 1.168 649 A HN 0.589 nan 8.150 nan 0.000 0.503 650 E N -0.138 120.202 120.200 0.233 0.000 2.349 650 E HA 0.211 4.561 4.350 -0.001 0.000 0.265 650 E C 0.400 177.109 176.600 0.181 0.000 1.064 650 E CA -0.261 56.270 56.400 0.218 0.000 0.886 650 E CB 0.912 30.763 29.700 0.251 0.000 1.036 650 E HN 0.541 nan 8.360 nan 0.000 0.413 651 L N 1.404 122.723 121.223 0.160 0.000 2.610 651 L HA -0.075 4.265 4.340 -0.001 0.000 0.232 651 L C 0.540 177.518 176.870 0.180 0.000 1.149 651 L CA 0.148 55.101 54.840 0.188 0.000 0.872 651 L CB -0.293 41.859 42.059 0.156 0.000 0.992 651 L HN 0.347 nan 8.230 nan 0.000 0.447 652 Q N 0.046 119.935 119.800 0.148 0.000 2.461 652 Q HA -0.291 4.049 4.340 -0.001 0.000 0.273 652 Q C 1.280 177.341 176.000 0.100 0.000 1.163 652 Q CA 0.996 56.869 55.803 0.117 0.000 0.929 652 Q CB -1.808 26.994 28.738 0.107 0.000 1.334 652 Q HN 0.798 nan 8.270 nan 0.000 0.499 653 G N -0.610 108.251 108.800 0.103 0.000 2.345 653 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.218 653 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.218 653 G C -0.036 174.922 174.900 0.097 0.000 1.058 653 G CA -0.021 45.130 45.100 0.085 0.000 0.632 653 G HN 0.199 nan 8.290 nan 0.000 0.508 654 K N 2.651 123.129 120.400 0.131 0.000 2.163 654 K HA 0.236 4.555 4.320 -0.001 0.000 0.267 654 K C 1.276 177.985 176.600 0.182 0.000 1.098 654 K CA 1.115 57.503 56.287 0.168 0.000 1.062 654 K CB 0.179 32.827 32.500 0.247 0.000 1.033 654 K HN 0.727 nan 8.250 nan 0.000 0.396 655 T N -2.319 112.303 114.554 0.113 0.000 3.023 655 T HA -0.004 4.346 4.350 -0.001 0.000 0.253 655 T C 0.815 175.555 174.700 0.067 0.000 1.038 655 T CA -0.224 61.926 62.100 0.083 0.000 0.962 655 T CB 0.108 69.011 68.868 0.059 0.000 1.018 655 T HN 0.464 nan 8.240 nan 0.000 0.521 656 T N -0.403 114.187 114.554 0.061 0.000 2.932 656 T HA 0.480 4.829 4.350 -0.001 0.000 0.289 656 T C 0.950 175.692 174.700 0.070 0.000 1.039 656 T CA -0.737 61.364 62.100 0.001 0.000 1.024 656 T CB 1.313 70.109 68.868 -0.120 0.000 1.090 656 T HN 0.206 nan 8.240 nan 0.000 0.496 657 Y N 0.913 121.286 120.300 0.120 0.000 2.165 657 Y HA -0.052 4.498 4.550 -0.001 0.000 0.286 657 Y C 1.916 177.935 175.900 0.198 0.000 1.155 657 Y CA 1.599 59.808 58.100 0.182 0.000 1.164 657 Y CB -1.189 37.340 38.460 0.115 0.000 0.978 657 Y HN 0.742 nan 8.280 nan 0.000 0.513 658 E N 0.392 120.393 120.200 -0.331 0.000 2.118 658 E HA -0.222 4.128 4.350 -0.001 0.000 0.195 658 E C 2.184 178.804 176.600 0.034 0.000 0.992 658 E CA 1.724 58.061 56.400 -0.104 0.000 0.804 658 E CB -0.213 29.307 29.700 -0.300 0.000 0.741 658 E HN 0.712 nan 8.360 nan 0.000 0.458 659 Q N -0.597 119.217 119.800 0.023 0.000 2.096 659 Q HA -0.138 4.201 4.340 -0.001 0.000 0.197 659 Q C 1.876 177.939 176.000 0.105 0.000 0.964 659 Q CA 0.993 56.832 55.803 0.060 0.000 0.838 659 Q CB -0.177 28.597 28.738 0.059 0.000 0.906 659 Q HN 0.304 nan 8.270 nan 0.000 0.444 660 Y N 1.468 121.818 120.300 0.082 0.000 2.097 660 Y HA -0.222 4.328 4.550 -0.001 0.000 0.282 660 Y C 1.747 177.721 175.900 0.124 0.000 1.152 660 Y CA 1.528 59.693 58.100 0.108 0.000 1.136 660 Y CB -0.118 38.424 38.460 0.137 0.000 0.975 660 Y HN 0.007 nan 8.280 nan 0.000 0.498 661 L N -0.584 120.693 121.223 0.089 0.000 2.240 661 L HA 0.173 4.513 4.340 -0.001 0.000 0.211 661 L C 1.171 178.091 176.870 0.085 0.000 1.106 661 L CA 0.458 55.367 54.840 0.114 0.000 0.793 661 L CB -1.127 41.178 42.059 0.411 0.000 0.927 661 L HN 0.427 nan 8.230 nan 0.000 0.446 662 G N -0.156 108.692 108.800 0.081 0.000 2.716 662 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.686 662 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.686 662 G C 0.662 175.626 174.900 0.106 0.000 1.337 662 G CA -0.158 44.978 45.100 0.060 0.000 0.829 662 G HN 0.229 nan 8.290 nan 0.000 0.599 663 S N 0.930 116.674 115.700 0.073 0.000 2.427 663 S HA -0.271 4.199 4.470 -0.001 0.000 0.231 663 S C 2.011 176.663 174.600 0.086 0.000 1.045 663 S CA 2.644 60.888 58.200 0.073 0.000 1.154 663 S CB -0.755 62.474 63.200 0.048 0.000 1.093 663 S HN 1.402 nan 8.310 nan 0.000 0.422 664 E N 1.538 121.785 120.200 0.078 0.000 2.063 664 E HA -0.275 4.075 4.350 -0.001 0.000 0.221 664 E C 1.826 178.492 176.600 0.110 0.000 1.052 664 E CA 1.963 58.413 56.400 0.084 0.000 0.891 664 E CB -1.410 28.339 29.700 0.082 0.000 0.792 664 E HN 0.633 nan 8.360 nan 0.000 0.482 665 Y N 1.190 121.493 120.300 0.004 0.000 2.151 665 Y HA -0.247 4.302 4.550 -0.000 0.000 0.284 665 Y C 2.420 178.321 175.900 0.002 0.000 1.166 665 Y CA 1.444 59.539 58.100 -0.008 0.000 1.163 665 Y CB -0.473 37.977 38.460 -0.016 0.000 0.974 665 Y HN -0.025 nan 8.280 nan 0.000 0.511 666 V N -0.494 119.454 119.914 0.056 0.000 2.295 666 V HA -0.370 3.749 4.120 -0.001 0.000 0.246 666 V C 2.232 178.308 176.094 -0.031 0.000 1.049 666 V CA 2.501 64.838 62.300 0.061 0.000 1.024 666 V CB -1.083 30.893 31.823 0.255 0.000 0.648 666 V HN 0.533 nan 8.190 nan 0.000 0.447 667 T N -0.915 113.647 114.554 0.013 0.000 2.622 667 T HA -0.268 4.082 4.350 -0.001 0.000 0.266 667 T C 2.068 176.733 174.700 -0.058 0.000 1.047 667 T CA 1.962 64.065 62.100 0.006 0.000 1.159 667 T CB -0.606 68.280 68.868 0.031 0.000 0.863 667 T HN 0.468 nan 8.240 nan 0.000 0.422 668 S N 0.663 116.318 115.700 -0.076 0.000 2.423 668 S HA -0.101 4.368 4.470 -0.001 0.000 0.238 668 S C 1.930 176.399 174.600 -0.219 0.000 1.028 668 S CA 0.979 59.123 58.200 -0.093 0.000 1.000 668 S CB -0.684 62.490 63.200 -0.043 0.000 0.797 668 S HN 0.487 nan 8.310 nan 0.000 0.487 669 I N 1.036 121.358 120.570 -0.414 0.000 2.617 669 I HA -0.085 4.084 4.170 -0.001 0.000 0.256 669 I C 2.495 178.376 176.117 -0.393 0.000 1.167 669 I CA 1.331 62.281 61.300 -0.584 0.000 1.469 669 I CB -0.534 36.795 38.000 -1.118 0.000 1.098 669 I HN 0.416 nan 8.210 nan 0.000 0.436 670 T N -1.068 113.353 114.554 -0.221 0.000 2.851 670 T HA -0.040 4.309 4.350 -0.001 0.000 0.262 670 T C 1.727 176.402 174.700 -0.042 0.000 1.043 670 T CA 0.917 62.974 62.100 -0.073 0.000 1.140 670 T CB -0.478 68.405 68.868 0.025 0.000 0.872 670 T HN 0.168 nan 8.240 nan 0.000 0.446 671 N N 2.000 120.690 118.700 -0.017 0.000 2.036 671 N HA -0.025 4.714 4.740 -0.001 0.000 0.195 671 N C 1.901 177.403 175.510 -0.014 0.000 1.037 671 N CA 1.063 54.142 53.050 0.049 0.000 0.855 671 N CB -0.877 37.685 38.487 0.124 0.000 1.033 671 N HN 0.312 nan 8.380 nan 0.000 0.423 672 L N 0.822 122.001 121.223 -0.072 0.000 2.043 672 L HA -0.162 4.178 4.340 -0.001 0.000 0.212 672 L C 2.347 179.136 176.870 -0.134 0.000 1.075 672 L CA 1.195 55.937 54.840 -0.163 0.000 0.752 672 L CB -0.308 41.666 42.059 -0.141 0.000 0.891 672 L HN 0.223 nan 8.230 nan 0.000 0.432 673 R N -0.432 120.011 120.500 -0.095 0.000 2.211 673 R HA -0.240 4.100 4.340 -0.001 0.000 0.240 673 R C 2.254 178.526 176.300 -0.048 0.000 1.144 673 R CA 1.239 57.308 56.100 -0.052 0.000 0.992 673 R CB -0.375 29.909 30.300 -0.027 0.000 0.869 673 R HN 0.318 nan 8.270 nan 0.000 0.462 674 R N 0.287 120.746 120.500 -0.068 0.000 2.117 674 R HA -0.197 4.142 4.340 -0.001 0.000 0.243 674 R C 1.905 178.147 176.300 -0.097 0.000 1.143 674 R CA 2.069 58.134 56.100 -0.058 0.000 0.968 674 R CB -0.253 30.027 30.300 -0.034 0.000 0.863 674 R HN 0.262 nan 8.270 nan 0.000 0.444 675 c N -1.467 117.031 118.600 -0.170 0.000 2.500 675 c HA 0.226 4.796 4.570 -0.001 0.000 0.279 675 c C 1.375 175.442 174.090 -0.038 0.000 1.288 675 c CA 0.091 56.320 56.329 -0.166 0.000 1.710 675 c CB 0.023 42.373 42.510 -0.266 0.000 2.052 675 c HN 0.464 nan 8.230 nan 0.000 0.488 676 S N -1.123 114.588 115.700 0.017 0.000 2.588 676 S HA 0.674 5.143 4.470 -0.001 0.000 0.275 676 S C -0.910 173.699 174.600 0.016 0.000 1.130 676 S CA -0.218 58.006 58.200 0.040 0.000 0.855 676 S CB 1.738 65.003 63.200 0.109 0.000 1.116 676 S HN 0.341 nan 8.310 nan 0.000 0.472 677 S N 0.674 116.380 115.700 0.009 0.000 2.685 677 S HA 0.863 5.333 4.470 -0.001 0.000 0.282 677 S C -1.369 173.229 174.600 -0.004 0.000 1.159 677 S CA -0.581 57.621 58.200 0.003 0.000 0.833 677 S CB 1.723 64.928 63.200 0.008 0.000 1.151 677 S HN 0.960 nan 8.310 nan 0.000 0.485 678 S N 0.964 116.661 115.700 -0.005 0.000 2.599 678 S HA 0.571 5.041 4.470 -0.001 0.000 0.294 678 S C -2.428 172.170 174.600 -0.002 0.000 1.094 678 S CA -1.316 56.880 58.200 -0.008 0.000 0.931 678 S CB 1.543 64.736 63.200 -0.012 0.000 1.093 678 S HN 0.472 nan 8.310 nan 0.000 0.488 679 P HA -0.090 nan 4.420 nan 0.000 0.219 679 P C 1.419 178.722 177.300 0.004 0.000 1.146 679 P CA 0.609 63.705 63.100 -0.006 0.000 0.808 679 P CB 0.125 31.818 31.700 -0.011 0.000 0.779 680 L N -1.010 120.222 121.223 0.014 0.000 2.049 680 L HA -0.082 4.258 4.340 -0.001 0.000 0.203 680 L C 2.387 179.267 176.870 0.016 0.000 1.074 680 L CA 1.109 55.963 54.840 0.022 0.000 0.749 680 L CB -0.918 41.164 42.059 0.037 0.000 0.907 680 L HN -0.060 nan 8.230 nan 0.000 0.439 681 L N 0.360 121.587 121.223 0.007 0.000 2.187 681 L HA -0.233 4.106 4.340 -0.001 0.000 0.213 681 L C 2.342 179.218 176.870 0.010 0.000 1.100 681 L CA 1.721 56.558 54.840 -0.005 0.000 0.765 681 L CB -0.518 41.544 42.059 0.005 0.000 0.904 681 L HN 0.276 nan 8.230 nan 0.000 0.437 682 E N -1.424 118.785 120.200 0.016 0.000 2.086 682 E HA -0.074 4.275 4.350 -0.001 0.000 0.190 682 E C 2.182 178.811 176.600 0.049 0.000 0.975 682 E CA 0.796 57.210 56.400 0.023 0.000 0.813 682 E CB -0.145 29.557 29.700 0.004 0.000 0.768 682 E HN 0.550 nan 8.360 nan 0.000 0.457 683 A N 0.580 123.426 122.820 0.044 0.000 1.972 683 A HA -0.188 4.132 4.320 -0.001 0.000 0.219 683 A C 2.308 179.984 177.584 0.153 0.000 1.169 683 A CA 1.083 53.170 52.037 0.083 0.000 0.635 683 A CB -0.690 18.341 19.000 0.053 0.000 0.810 683 A HN 0.350 nan 8.150 nan 0.000 0.446 684 c N -1.295 117.358 118.600 0.088 0.000 2.464 684 c HA 0.225 4.794 4.570 -0.001 0.000 0.278 684 c C 3.227 177.350 174.090 0.055 0.000 1.375 684 c CA 0.325 56.692 56.329 0.063 0.000 1.761 684 c CB -1.166 41.349 42.510 0.009 0.000 1.944 684 c HN 0.711 nan 8.230 nan 0.000 0.509 685 A N 0.233 123.093 122.820 0.067 0.000 1.933 685 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 685 A C 1.864 179.487 177.584 0.066 0.000 1.175 685 A CA 1.671 53.740 52.037 0.053 0.000 0.628 685 A CB -0.719 18.317 19.000 0.059 0.000 0.814 685 A HN 0.576 nan 8.150 nan 0.000 0.444 686 F N 0.605 120.554 119.950 -0.001 0.000 2.074 686 F HA -0.048 4.479 4.527 -0.001 0.000 0.293 686 F C 1.764 177.576 175.800 0.020 0.000 1.116 686 F CA 1.639 59.642 58.000 0.006 0.000 1.212 686 F CB -0.441 38.560 39.000 0.001 0.000 0.998 686 F HN 0.098 nan 8.300 nan 0.000 0.471 687 L N 0.188 121.328 121.223 -0.140 0.000 2.353 687 L HA -0.109 4.230 4.340 -0.001 0.000 0.220 687 L C 1.078 177.839 176.870 -0.183 0.000 1.133 687 L CA 0.822 55.549 54.840 -0.189 0.000 0.798 687 L CB -0.486 41.621 42.059 0.080 0.000 0.922 687 L HN 0.084 nan 8.230 nan 0.000 0.445 688 R N -0.109 120.313 120.500 -0.132 0.000 2.816 688 R HA 0.472 4.812 4.340 -0.001 0.000 0.382 688 R C -0.293 175.946 176.300 -0.101 0.000 1.140 688 R CA -0.006 56.038 56.100 -0.093 0.000 1.050 688 R CB 0.750 31.027 30.300 -0.039 0.000 1.396 688 R HN 0.083 nan 8.270 nan 0.000 0.583 689 A N 0.000 122.716 122.820 -0.173 0.000 2.254 689 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 689 A CA 0.000 51.953 52.037 -0.141 0.000 0.836 689 A CB 0.000 18.907 19.000 -0.154 0.000 0.831 689 A HN 0.000 nan 8.150 nan 0.000 0.486