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 3cr9_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 0.000 177.587 177.584 0.005 0.000 1.274 1 A CA 0.000 52.040 52.037 0.004 0.000 0.836 1 A CB 0.000 19.002 19.000 0.003 0.000 0.831 2 P HA 0.557 nan 4.420 nan 0.000 0.267 2 P C -0.377 176.926 177.300 0.005 0.000 1.200 2 P CA 0.323 63.425 63.100 0.003 0.000 0.772 2 P CB 0.356 32.056 31.700 0.000 0.000 0.855 3 R N 1.523 122.027 120.500 0.006 0.000 2.599 3 R HA 0.414 4.750 4.340 -0.007 0.000 0.295 3 R C 0.078 176.383 176.300 0.009 0.000 0.963 3 R CA -0.886 55.220 56.100 0.010 0.000 0.883 3 R CB 1.024 31.333 30.300 0.015 0.000 1.171 3 R HN 0.245 nan 8.270 nan 0.000 0.450 4 K N 0.703 121.109 120.400 0.011 0.000 2.400 4 K HA 0.282 4.598 4.320 -0.007 0.000 0.253 4 K C -0.615 175.993 176.600 0.015 0.000 1.076 4 K CA 0.179 56.472 56.287 0.010 0.000 0.887 4 K CB 0.309 32.816 32.500 0.011 0.000 1.168 4 K HN 0.712 nan 8.250 nan 0.000 0.505 5 S N -0.642 115.068 115.700 0.017 0.000 2.525 5 S HA 0.410 4.876 4.470 -0.007 0.000 0.290 5 S C -0.559 174.070 174.600 0.049 0.000 1.152 5 S CA -1.103 57.111 58.200 0.024 0.000 1.072 5 S CB 1.448 64.656 63.200 0.012 0.000 1.027 5 S HN 0.217 nan 8.310 nan 0.000 0.500 6 V N 3.425 123.386 119.914 0.078 0.000 2.479 6 V HA 0.190 4.306 4.120 -0.007 0.000 0.281 6 V C 0.693 176.880 176.094 0.156 0.000 1.031 6 V CA -0.089 62.287 62.300 0.126 0.000 1.038 6 V CB -0.169 31.777 31.823 0.205 0.000 0.981 6 V HN 0.802 nan 8.190 nan 0.000 0.478 7 R N 5.007 125.580 120.500 0.120 0.000 2.235 7 R HA 0.191 4.527 4.340 -0.007 0.000 0.338 7 R C -0.446 175.959 176.300 0.174 0.000 1.087 7 R CA -0.303 55.874 56.100 0.128 0.000 0.948 7 R CB 0.734 31.072 30.300 0.063 0.000 1.099 7 R HN 0.719 nan 8.270 nan 0.000 0.483 8 W N 4.538 125.880 121.300 0.071 0.000 2.315 8 W HA 0.201 4.856 4.660 -0.008 0.000 0.316 8 W C -0.477 176.065 176.519 0.038 0.000 1.211 8 W CA -0.993 56.397 57.345 0.074 0.000 1.201 8 W CB 1.415 30.962 29.460 0.145 0.000 1.184 8 W HN 0.436 nan 8.180 nan 0.000 0.544 9 c N 6.884 125.521 118.600 0.061 0.000 2.285 9 c HA 0.514 5.079 4.570 -0.007 0.000 0.335 9 c C 0.765 174.946 174.090 0.152 0.000 1.267 9 c CA -0.012 56.354 56.329 0.062 0.000 1.762 9 c CB -0.649 41.819 42.510 -0.069 0.000 2.365 9 c HN 0.628 nan 8.230 nan 0.000 0.527 10 T N 2.856 117.496 114.554 0.144 0.000 2.943 10 T HA 0.572 4.918 4.350 -0.007 0.000 0.284 10 T C 0.528 175.253 174.700 0.041 0.000 1.015 10 T CA -0.630 61.540 62.100 0.117 0.000 1.042 10 T CB 1.321 70.250 68.868 0.102 0.000 1.055 10 T HN 0.755 nan 8.240 nan 0.000 0.500 11 I N -1.408 119.171 120.570 0.014 0.000 4.139 11 I HA 0.407 4.573 4.170 -0.007 0.000 0.335 11 I C 0.362 176.442 176.117 -0.061 0.000 1.327 11 I CA -0.440 60.839 61.300 -0.036 0.000 1.112 11 I CB -0.128 37.829 38.000 -0.071 0.000 1.058 11 I HN 0.818 nan 8.210 nan 0.000 0.396 12 S N -1.652 114.024 115.700 -0.040 0.000 2.565 12 S HA 0.591 5.057 4.470 -0.007 0.000 0.269 12 S C -2.540 172.048 174.600 -0.020 0.000 1.153 12 S CA -0.896 57.276 58.200 -0.047 0.000 0.835 12 S CB 1.314 64.466 63.200 -0.080 0.000 1.122 12 S HN -0.194 nan 8.310 nan 0.000 0.462 13 P HA -0.134 nan 4.420 nan 0.000 0.216 13 P C 1.679 178.978 177.300 -0.002 0.000 1.157 13 P CA 2.613 65.707 63.100 -0.010 0.000 0.880 13 P CB -0.192 31.500 31.700 -0.014 0.000 0.791 14 A N -0.445 122.374 122.820 -0.002 0.000 1.908 14 A HA -0.274 4.042 4.320 -0.007 0.000 0.218 14 A C 2.306 179.899 177.584 0.016 0.000 1.181 14 A CA 1.912 53.954 52.037 0.009 0.000 0.627 14 A CB -1.319 17.690 19.000 0.015 0.000 0.818 14 A HN 0.181 nan 8.150 nan 0.000 0.445 15 E N -0.563 119.646 120.200 0.016 0.000 2.072 15 E HA -0.082 4.264 4.350 -0.007 0.000 0.191 15 E C 2.290 178.905 176.600 0.025 0.000 0.985 15 E CA 0.800 57.214 56.400 0.024 0.000 0.801 15 E CB -0.211 29.507 29.700 0.030 0.000 0.750 15 E HN 0.585 nan 8.360 nan 0.000 0.452 16 A N 1.421 124.255 122.820 0.023 0.000 1.865 16 A HA -0.188 4.128 4.320 -0.007 0.000 0.217 16 A C 2.416 180.010 177.584 0.016 0.000 1.191 16 A CA 1.975 54.028 52.037 0.027 0.000 0.623 16 A CB -0.979 18.032 19.000 0.019 0.000 0.826 16 A HN 0.373 nan 8.150 nan 0.000 0.444 17 A N -0.003 122.822 122.820 0.008 0.000 1.884 17 A HA -0.311 4.005 4.320 -0.007 0.000 0.219 17 A C 2.157 179.741 177.584 -0.000 0.000 1.197 17 A CA 2.643 54.679 52.037 -0.001 0.000 0.637 17 A CB -0.687 18.314 19.000 0.002 0.000 0.827 17 A HN 0.622 nan 8.150 nan 0.000 0.450 18 K N -0.832 119.579 120.400 0.018 0.000 2.032 18 K HA -0.224 4.092 4.320 -0.007 0.000 0.209 18 K C 2.171 178.791 176.600 0.032 0.000 1.048 18 K CA 1.782 58.095 56.287 0.042 0.000 0.927 18 K CB -0.647 31.882 32.500 0.048 0.000 0.712 18 K HN 0.543 nan 8.250 nan 0.000 0.441 19 c N 0.512 119.128 118.600 0.027 0.000 2.413 19 c HA -0.071 4.495 4.570 -0.007 0.000 0.276 19 c C 2.821 176.946 174.090 0.060 0.000 1.248 19 c CA 1.279 57.654 56.329 0.076 0.000 1.742 19 c CB -1.139 41.416 42.510 0.074 0.000 2.017 19 c HN 0.640 nan 8.230 nan 0.000 0.481 20 A N -0.019 122.795 122.820 -0.009 0.000 1.877 20 A HA -0.214 4.102 4.320 -0.007 0.000 0.216 20 A C 2.191 179.681 177.584 -0.155 0.000 1.186 20 A CA 2.169 54.166 52.037 -0.065 0.000 0.620 20 A CB -0.781 18.189 19.000 -0.052 0.000 0.822 20 A HN 0.721 nan 8.150 nan 0.000 0.443 21 K N -1.400 118.891 120.400 -0.183 0.000 2.063 21 K HA -0.187 4.129 4.320 -0.007 0.000 0.208 21 K C 1.691 177.866 176.600 -0.708 0.000 1.048 21 K CA 1.798 57.873 56.287 -0.354 0.000 0.928 21 K CB -0.401 31.944 32.500 -0.257 0.000 0.713 21 K HN 0.416 nan 8.250 nan 0.000 0.442 22 F N 1.826 121.283 119.950 -0.821 0.000 2.102 22 F HA -0.211 4.312 4.527 -0.007 0.000 0.298 22 F C 2.371 177.865 175.800 -0.510 0.000 1.105 22 F CA 2.113 59.579 58.000 -0.891 0.000 1.239 22 F CB -0.801 38.009 39.000 -0.317 0.000 0.991 22 F HN 0.204 nan 8.300 nan 0.000 0.474 23 Q N 0.348 119.891 119.800 -0.429 0.000 2.050 23 Q HA -0.226 4.110 4.340 -0.007 0.000 0.202 23 Q C 2.550 178.354 176.000 -0.327 0.000 0.980 23 Q CA 1.648 57.202 55.803 -0.415 0.000 0.840 23 Q CB -0.383 28.221 28.738 -0.223 0.000 0.898 23 Q HN 0.429 nan 8.270 nan 0.000 0.424 24 R N 0.061 120.389 120.500 -0.287 0.000 2.132 24 R HA -0.201 4.135 4.340 -0.007 0.000 0.233 24 R C 1.927 178.093 176.300 -0.224 0.000 1.125 24 R CA 2.331 58.295 56.100 -0.226 0.000 0.914 24 R CB -0.387 29.778 30.300 -0.226 0.000 0.845 24 R HN 0.398 nan 8.270 nan 0.000 0.431 25 N N -0.208 118.292 118.700 -0.333 0.000 2.348 25 N HA -0.177 4.558 4.740 -0.007 0.000 0.185 25 N C 1.474 177.004 175.510 0.033 0.000 1.019 25 N CA 1.235 54.161 53.050 -0.206 0.000 0.880 25 N CB -0.088 38.113 38.487 -0.477 0.000 0.965 25 N HN 0.166 nan 8.380 nan 0.000 0.437 26 M N 0.832 120.377 119.600 -0.091 0.000 2.123 26 M HA -0.040 4.436 4.480 -0.007 0.000 0.263 26 M C 1.854 178.132 176.300 -0.037 0.000 1.069 26 M CA 1.503 56.802 55.300 -0.002 0.000 1.133 26 M CB -0.117 32.321 32.600 -0.269 0.000 1.356 26 M HN -0.025 nan 8.290 nan 0.000 0.415 27 K N -0.417 119.928 120.400 -0.091 0.000 2.148 27 K HA -0.219 4.097 4.320 -0.007 0.000 0.204 27 K C 2.034 178.610 176.600 -0.040 0.000 1.050 27 K CA 1.464 57.709 56.287 -0.071 0.000 0.942 27 K CB -0.145 32.303 32.500 -0.086 0.000 0.724 27 K HN 0.294 nan 8.250 nan 0.000 0.446 28 K N 0.286 120.670 120.400 -0.027 0.000 2.288 28 K HA -0.023 4.293 4.320 -0.007 0.000 0.201 28 K C 1.268 177.877 176.600 0.014 0.000 1.048 28 K CA 0.732 57.016 56.287 -0.006 0.000 0.956 28 K CB 0.356 32.856 32.500 -0.001 0.000 0.746 28 K HN 0.005 nan 8.250 nan 0.000 0.461 29 V N 1.449 121.380 119.914 0.029 0.000 3.608 29 V HA 0.070 4.186 4.120 -0.007 0.000 0.269 29 V C -0.100 175.977 176.094 -0.028 0.000 1.245 29 V CA 0.071 62.375 62.300 0.006 0.000 1.138 29 V CB -0.717 31.104 31.823 -0.002 0.000 0.841 29 V HN 0.386 nan 8.190 nan 0.000 0.451 30 R N 0.386 120.870 120.500 -0.027 0.000 3.152 30 R HA -0.139 4.197 4.340 -0.007 0.000 0.252 30 R C 0.328 176.600 176.300 -0.047 0.000 0.930 30 R CA 0.583 56.661 56.100 -0.036 0.000 0.642 30 R CB -2.026 28.255 30.300 -0.031 0.000 1.205 30 R HN 0.583 nan 8.270 nan 0.000 0.452 31 G N 0.615 109.384 108.800 -0.052 0.000 3.022 31 G HA2 0.669 4.625 3.960 -0.007 0.000 0.284 31 G HA3 0.669 4.625 3.960 -0.007 0.000 0.284 31 G C -2.710 172.153 174.900 -0.061 0.000 1.375 31 G CA -1.227 43.835 45.100 -0.063 0.000 0.902 31 G HN -0.013 nan 8.290 nan 0.000 0.538 32 P HA 0.126 nan 4.420 nan 0.000 0.261 32 P C 0.193 177.446 177.300 -0.079 0.000 1.165 32 P CA 0.138 63.207 63.100 -0.051 0.000 0.759 32 P CB 0.523 32.201 31.700 -0.037 0.000 0.772 33 S N 1.799 117.461 115.700 -0.064 0.000 2.545 33 S HA 0.478 4.944 4.470 -0.007 0.000 0.275 33 S C 0.101 174.652 174.600 -0.081 0.000 1.299 33 S CA -0.705 57.444 58.200 -0.085 0.000 1.048 33 S CB 0.582 63.750 63.200 -0.054 0.000 0.938 33 S HN 0.176 nan 8.310 nan 0.000 0.496 34 V N 1.263 121.093 119.914 -0.140 0.000 3.177 34 V HA 0.889 5.005 4.120 -0.007 0.000 0.319 34 V C 0.221 176.297 176.094 -0.031 0.000 1.125 34 V CA -0.887 61.359 62.300 -0.090 0.000 1.029 34 V CB 1.832 33.479 31.823 -0.293 0.000 1.119 34 V HN 0.995 nan 8.190 nan 0.000 0.452 35 S N -0.497 115.237 115.700 0.056 0.000 2.533 35 S HA 0.526 4.991 4.470 -0.007 0.000 0.271 35 S C -1.327 173.346 174.600 0.122 0.000 1.143 35 S CA -0.430 57.805 58.200 0.059 0.000 0.891 35 S CB 1.328 64.560 63.200 0.053 0.000 1.105 35 S HN 0.832 nan 8.310 nan 0.000 0.468 36 c N 5.560 124.215 118.600 0.092 0.000 2.293 36 c HA 0.621 5.187 4.570 -0.007 0.000 0.323 36 c C -0.188 173.955 174.090 0.088 0.000 1.240 36 c CA -1.064 55.338 56.329 0.122 0.000 1.497 36 c CB -0.785 41.782 42.510 0.096 0.000 2.171 36 c HN 0.678 nan 8.230 nan 0.000 0.465 37 I N 3.042 123.672 120.570 0.100 0.000 2.488 37 I HA 0.506 4.672 4.170 -0.007 0.000 0.299 37 I C 0.392 176.544 176.117 0.058 0.000 0.984 37 I CA -0.269 61.068 61.300 0.062 0.000 1.250 37 I CB 0.836 38.865 38.000 0.049 0.000 1.389 37 I HN 0.521 nan 8.210 nan 0.000 0.488 38 R N 4.756 125.276 120.500 0.034 0.000 2.388 38 R HA 0.462 4.798 4.340 -0.007 0.000 0.314 38 R C -0.495 175.812 176.300 0.011 0.000 0.959 38 R CA -0.552 55.562 56.100 0.025 0.000 0.851 38 R CB 2.090 32.400 30.300 0.016 0.000 1.168 38 R HN 0.635 nan 8.270 nan 0.000 0.472 39 K N -0.064 120.339 120.400 0.005 0.000 2.279 39 K HA 0.343 4.659 4.320 -0.007 0.000 0.238 39 K C 0.940 177.532 176.600 -0.014 0.000 1.084 39 K CA -0.558 55.726 56.287 -0.004 0.000 0.885 39 K CB 1.529 34.026 32.500 -0.005 0.000 1.319 39 K HN 0.457 nan 8.250 nan 0.000 0.494 40 T N -2.725 111.819 114.554 -0.017 0.000 3.054 40 T HA 0.125 4.471 4.350 -0.007 0.000 0.255 40 T C 0.233 174.906 174.700 -0.046 0.000 1.035 40 T CA -0.149 61.931 62.100 -0.033 0.000 0.941 40 T CB -0.154 68.696 68.868 -0.030 0.000 1.026 40 T HN 0.518 nan 8.240 nan 0.000 0.533 41 S N -0.855 114.830 115.700 -0.026 0.000 2.567 41 S HA 0.472 4.938 4.470 -0.007 0.000 0.270 41 S C 0.568 175.144 174.600 -0.039 0.000 1.152 41 S CA -0.326 57.860 58.200 -0.022 0.000 0.835 41 S CB 1.297 64.547 63.200 0.084 0.000 1.115 41 S HN -0.025 nan 8.310 nan 0.000 0.459 42 S N 0.580 116.212 115.700 -0.113 0.000 2.370 42 S HA -0.055 4.410 4.470 -0.007 0.000 0.226 42 S C 1.255 175.720 174.600 -0.226 0.000 1.033 42 S CA 1.680 59.760 58.200 -0.199 0.000 1.011 42 S CB -0.801 62.224 63.200 -0.291 0.000 0.852 42 S HN 0.617 nan 8.310 nan 0.000 0.457 43 F N 1.683 121.585 119.950 -0.080 0.000 2.161 43 F HA -0.078 4.445 4.527 -0.006 0.000 0.300 43 F C 2.522 178.233 175.800 -0.149 0.000 1.089 43 F CA 1.026 58.951 58.000 -0.124 0.000 1.282 43 F CB -0.526 38.415 39.000 -0.099 0.000 1.010 43 F HN 0.232 nan 8.300 nan 0.000 0.485 44 E N -0.848 119.402 120.200 0.083 0.000 2.107 44 E HA -0.171 4.175 4.350 -0.007 0.000 0.191 44 E C 2.278 178.857 176.600 -0.036 0.000 0.982 44 E CA 1.120 57.530 56.400 0.016 0.000 0.809 44 E CB -0.184 29.528 29.700 0.019 0.000 0.756 44 E HN 0.364 nan 8.360 nan 0.000 0.459 45 c N 0.330 118.893 118.600 -0.062 0.000 2.429 45 c HA -0.105 4.461 4.570 -0.007 0.000 0.277 45 c C 2.477 176.495 174.090 -0.119 0.000 1.262 45 c CA 0.276 56.553 56.329 -0.086 0.000 1.733 45 c CB -0.772 41.674 42.510 -0.107 0.000 2.010 45 c HN 0.457 nan 8.230 nan 0.000 0.483 46 I N 0.568 121.040 120.570 -0.164 0.000 2.113 46 I HA -0.370 3.796 4.170 -0.007 0.000 0.242 46 I C 2.702 178.673 176.117 -0.243 0.000 1.064 46 I CA 1.851 63.008 61.300 -0.238 0.000 1.320 46 I CB -0.647 37.150 38.000 -0.339 0.000 1.028 46 I HN 0.506 nan 8.210 nan 0.000 0.406 47 Q N 0.274 119.940 119.800 -0.223 0.000 2.046 47 Q HA -0.179 4.157 4.340 -0.007 0.000 0.200 47 Q C 2.484 178.503 176.000 0.032 0.000 0.975 47 Q CA 1.661 57.445 55.803 -0.032 0.000 0.836 47 Q CB -0.283 28.479 28.738 0.039 0.000 0.896 47 Q HN 0.601 nan 8.270 nan 0.000 0.428 48 A N 1.494 124.308 122.820 -0.011 0.000 1.859 48 A HA -0.226 4.090 4.320 -0.007 0.000 0.217 48 A C 2.031 179.610 177.584 -0.008 0.000 1.198 48 A CA 1.554 53.588 52.037 -0.005 0.000 0.629 48 A CB -0.802 18.186 19.000 -0.021 0.000 0.830 48 A HN 0.300 nan 8.150 nan 0.000 0.446 49 I N 0.083 120.630 120.570 -0.038 0.000 2.151 49 I HA -0.316 3.850 4.170 -0.007 0.000 0.243 49 I C 2.887 179.000 176.117 -0.007 0.000 1.080 49 I CA 1.842 63.115 61.300 -0.045 0.000 1.339 49 I CB -1.805 36.141 38.000 -0.089 0.000 1.039 49 I HN 0.377 nan 8.210 nan 0.000 0.409 50 A N 0.622 123.463 122.820 0.035 0.000 2.019 50 A HA 0.064 4.380 4.320 -0.007 0.000 0.219 50 A C 2.244 179.857 177.584 0.049 0.000 1.164 50 A CA 1.525 53.605 52.037 0.072 0.000 0.644 50 A CB -0.551 18.569 19.000 0.199 0.000 0.805 50 A HN 0.456 nan 8.150 nan 0.000 0.449 51 A N -1.446 121.402 122.820 0.047 0.000 2.337 51 A HA 0.340 4.656 4.320 -0.007 0.000 0.227 51 A C 0.760 178.354 177.584 0.015 0.000 1.259 51 A CA 0.521 52.577 52.037 0.031 0.000 0.870 51 A CB -0.920 18.103 19.000 0.038 0.000 0.927 51 A HN 0.692 nan 8.150 nan 0.000 0.497 52 N N -1.544 117.161 118.700 0.009 0.000 2.741 52 N HA -0.202 4.534 4.740 -0.007 0.000 0.251 52 N C 0.955 176.467 175.510 0.003 0.000 1.112 52 N CA 1.328 54.380 53.050 0.003 0.000 0.750 52 N CB -0.809 37.679 38.487 0.003 0.000 1.119 52 N HN 0.618 nan 8.380 nan 0.000 0.561 53 K N -0.910 119.492 120.400 0.004 0.000 2.186 53 K HA 0.223 4.539 4.320 -0.007 0.000 0.202 53 K C 0.778 177.379 176.600 0.002 0.000 1.052 53 K CA 1.197 57.487 56.287 0.005 0.000 0.965 53 K CB 0.310 32.814 32.500 0.007 0.000 0.746 53 K HN 0.323 nan 8.250 nan 0.000 0.457 54 A N 0.368 123.182 122.820 -0.010 0.000 2.507 54 A HA 0.385 4.701 4.320 -0.007 0.000 0.284 54 A C -0.799 176.763 177.584 -0.038 0.000 1.281 54 A CA -0.684 51.342 52.037 -0.019 0.000 0.744 54 A CB 1.018 19.995 19.000 -0.038 0.000 1.332 54 A HN -0.024 nan 8.150 nan 0.000 0.454 55 D N -1.395 118.965 120.400 -0.066 0.000 2.331 55 D HA 0.409 5.045 4.640 -0.007 0.000 0.300 55 D C 0.338 176.533 176.300 -0.176 0.000 1.090 55 D CA 1.153 55.104 54.000 -0.082 0.000 0.905 55 D CB 1.048 41.830 40.800 -0.029 0.000 1.600 55 D HN 0.757 nan 8.370 nan 0.000 0.511 56 A N 0.739 123.367 122.820 -0.320 0.000 2.515 56 A HA 0.732 5.048 4.320 -0.007 0.000 0.296 56 A C -1.155 175.873 177.584 -0.928 0.000 1.094 56 A CA -0.524 51.147 52.037 -0.611 0.000 0.718 56 A CB 2.075 20.605 19.000 -0.783 0.000 1.307 56 A HN -0.084 nan 8.150 nan 0.000 0.408 57 V N -0.445 118.968 119.914 -0.835 0.000 3.098 57 V HA 0.515 4.631 4.120 -0.007 0.000 0.294 57 V C -0.308 175.579 176.094 -0.344 0.000 1.351 57 V CA -0.778 61.145 62.300 -0.628 0.000 0.999 57 V CB 1.599 33.229 31.823 -0.321 0.000 1.104 57 V HN 0.926 nan 8.190 nan 0.000 0.438 58 T N 4.769 119.259 114.554 -0.106 0.000 2.856 58 T HA 0.788 5.134 4.350 -0.007 0.000 0.292 58 T C -0.437 174.277 174.700 0.024 0.000 0.980 58 T CA -0.196 61.956 62.100 0.086 0.000 1.091 58 T CB 0.674 69.648 68.868 0.177 0.000 0.936 58 T HN 0.477 nan 8.240 nan 0.000 0.503 59 L N 2.056 123.296 121.223 0.028 0.000 2.409 59 L HA 0.474 4.810 4.340 -0.007 0.000 0.262 59 L C -0.256 176.515 176.870 -0.166 0.000 0.992 59 L CA -1.253 53.539 54.840 -0.079 0.000 0.817 59 L CB 2.350 44.353 42.059 -0.093 0.000 1.350 59 L HN 0.583 nan 8.230 nan 0.000 0.411 60 D N 0.854 120.987 120.400 -0.445 0.000 2.357 60 D HA 0.207 4.843 4.640 -0.007 0.000 0.242 60 D C 1.351 177.588 176.300 -0.106 0.000 1.153 60 D CA 0.503 54.038 54.000 -0.775 0.000 0.918 60 D CB 1.839 42.246 40.800 -0.656 0.000 1.181 60 D HN 0.605 nan 8.370 nan 0.000 0.435 61 G N 1.893 110.752 108.800 0.098 0.000 2.547 61 G HA2 -0.315 3.641 3.960 -0.007 0.000 0.221 61 G HA3 -0.315 3.641 3.960 -0.007 0.000 0.221 61 G C 1.393 176.353 174.900 0.100 0.000 1.140 61 G CA 1.005 46.128 45.100 0.039 0.000 0.760 61 G HN 0.647 nan 8.290 nan 0.000 0.583 62 G N 0.584 109.522 108.800 0.231 0.000 2.418 62 G HA2 -0.126 3.830 3.960 -0.007 0.000 0.217 62 G HA3 -0.126 3.830 3.960 -0.007 0.000 0.217 62 G C 1.745 176.798 174.900 0.255 0.000 1.158 62 G CA 0.820 46.139 45.100 0.365 0.000 0.771 62 G HN 0.449 nan 8.290 nan 0.000 0.545 63 L N 0.177 121.454 121.223 0.091 0.000 2.270 63 L HA 0.040 4.376 4.340 -0.007 0.000 0.210 63 L C 2.884 179.796 176.870 0.070 0.000 1.104 63 L CA 0.023 54.869 54.840 0.009 0.000 0.804 63 L CB -0.415 41.528 42.059 -0.195 0.000 0.937 63 L HN 0.054 nan 8.230 nan 0.000 0.450 64 V N -0.231 119.740 119.914 0.095 0.000 2.324 64 V HA -0.348 3.768 4.120 -0.007 0.000 0.250 64 V C 2.340 178.571 176.094 0.229 0.000 1.060 64 V CA 1.910 64.276 62.300 0.109 0.000 1.042 64 V CB -0.622 31.276 31.823 0.124 0.000 0.650 64 V HN 0.398 nan 8.190 nan 0.000 0.450 65 Y N 1.655 122.034 120.300 0.132 0.000 1.979 65 Y HA -0.275 4.271 4.550 -0.006 0.000 0.262 65 Y C 2.684 178.678 175.900 0.156 0.000 1.142 65 Y CA 2.083 60.288 58.100 0.174 0.000 1.096 65 Y CB -0.913 37.695 38.460 0.247 0.000 0.958 65 Y HN 0.351 nan 8.280 nan 0.000 0.484 66 E N 0.282 120.628 120.200 0.244 0.000 2.118 66 E HA -0.229 4.117 4.350 -0.007 0.000 0.195 66 E C 2.360 179.080 176.600 0.201 0.000 0.992 66 E CA 1.226 57.699 56.400 0.122 0.000 0.804 66 E CB -0.638 29.111 29.700 0.082 0.000 0.741 66 E HN 0.546 nan 8.360 nan 0.000 0.458 67 A N 1.214 124.111 122.820 0.128 0.000 1.986 67 A HA -0.134 4.182 4.320 -0.007 0.000 0.220 67 A C 2.434 180.121 177.584 0.171 0.000 1.171 67 A CA 1.908 53.983 52.037 0.063 0.000 0.640 67 A CB -0.919 18.079 19.000 -0.004 0.000 0.811 67 A HN 0.347 nan 8.150 nan 0.000 0.451 68 G N -1.281 107.646 108.800 0.212 0.000 2.712 68 G HA2 0.260 4.216 3.960 -0.007 0.000 0.212 68 G HA3 0.260 4.216 3.960 -0.007 0.000 0.212 68 G C 0.569 175.610 174.900 0.235 0.000 1.142 68 G CA -0.231 44.987 45.100 0.197 0.000 0.789 68 G HN 0.296 nan 8.290 nan 0.000 0.535 69 L N 1.043 122.453 121.223 0.312 0.000 2.506 69 L HA -0.003 4.333 4.340 -0.007 0.000 0.281 69 L C 1.960 178.948 176.870 0.197 0.000 1.228 69 L CA 0.189 55.204 54.840 0.290 0.000 0.850 69 L CB 0.225 42.453 42.059 0.283 0.000 1.110 69 L HN 0.368 nan 8.230 nan 0.000 0.496 70 H N 5.901 125.027 119.070 0.093 0.000 2.384 70 H HA -0.201 4.351 4.556 -0.007 0.000 0.283 70 H C -0.929 174.354 175.328 -0.074 0.000 1.093 70 H CA 3.182 59.241 56.048 0.017 0.000 1.165 70 H CB -1.162 28.600 29.762 0.000 0.000 1.430 70 H HN 0.556 nan 8.280 nan 0.000 0.602 71 P HA -0.219 nan 4.420 nan 0.000 0.218 71 P C 0.917 177.789 177.300 -0.714 0.000 1.150 71 P CA 2.077 64.745 63.100 -0.719 0.000 0.841 71 P CB -0.477 30.808 31.700 -0.692 0.000 0.784 72 Y N -0.813 119.409 120.300 -0.129 0.000 2.441 72 Y HA 0.224 4.770 4.550 -0.007 0.000 0.288 72 Y C 1.203 177.055 175.900 -0.080 0.000 1.118 72 Y CA -0.387 57.666 58.100 -0.078 0.000 1.215 72 Y CB -0.706 37.741 38.460 -0.021 0.000 1.118 72 Y HN -0.236 nan 8.280 nan 0.000 0.547 73 K N 1.774 122.207 120.400 0.055 0.000 4.444 73 K HA -0.196 4.120 4.320 -0.007 0.000 0.281 73 K C -0.834 175.790 176.600 0.040 0.000 0.817 73 K CA 0.458 56.764 56.287 0.031 0.000 0.793 73 K CB -1.591 30.889 32.500 -0.033 0.000 1.784 73 K HN 0.352 nan 8.250 nan 0.000 0.424 74 L N 1.229 122.489 121.223 0.061 0.000 2.332 74 L HA 0.570 4.905 4.340 -0.007 0.000 0.269 74 L C 0.608 177.479 176.870 0.001 0.000 1.016 74 L CA -0.977 53.874 54.840 0.018 0.000 0.809 74 L CB 1.674 43.736 42.059 0.005 0.000 1.280 74 L HN 0.410 nan 8.230 nan 0.000 0.447 75 R N 1.111 121.589 120.500 -0.037 0.000 2.725 75 R HA 0.542 4.877 4.340 -0.007 0.000 0.277 75 R C -2.959 173.272 176.300 -0.115 0.000 0.987 75 R CA -1.827 54.237 56.100 -0.060 0.000 0.901 75 R CB 1.878 32.146 30.300 -0.054 0.000 1.207 75 R HN 0.207 nan 8.270 nan 0.000 0.463 76 P HA 0.012 nan 4.420 nan 0.000 0.270 76 P C 0.308 177.452 177.300 -0.259 0.000 1.242 76 P CA -0.286 62.637 63.100 -0.295 0.000 0.768 76 P CB 1.434 32.761 31.700 -0.621 0.000 0.820 77 V N 3.286 123.092 119.914 -0.180 0.000 2.426 77 V HA 0.141 4.257 4.120 -0.007 0.000 0.242 77 V C 1.219 177.222 176.094 -0.152 0.000 1.036 77 V CA 1.721 63.932 62.300 -0.149 0.000 1.044 77 V CB -0.582 31.201 31.823 -0.068 0.000 0.688 77 V HN 0.689 nan 8.190 nan 0.000 0.462 78 A N -0.316 122.476 122.820 -0.047 0.000 2.398 78 A HA 0.849 5.165 4.320 -0.007 0.000 0.301 78 A C -0.541 177.157 177.584 0.189 0.000 1.041 78 A CA 0.010 52.091 52.037 0.073 0.000 0.711 78 A CB 1.408 20.558 19.000 0.250 0.000 1.240 78 A HN 0.444 nan 8.150 nan 0.000 0.420 79 A N 1.840 124.796 122.820 0.226 0.000 2.306 79 A HA 0.656 4.972 4.320 -0.007 0.000 0.314 79 A C 0.041 177.794 177.584 0.283 0.000 1.164 79 A CA -0.430 51.781 52.037 0.290 0.000 0.822 79 A CB 0.300 19.556 19.000 0.428 0.000 1.130 79 A HN 0.827 nan 8.150 nan 0.000 0.496 80 E N 0.514 120.805 120.200 0.152 0.000 2.373 80 E HA 0.375 4.721 4.350 -0.007 0.000 0.267 80 E C -0.779 175.505 176.600 -0.527 0.000 1.032 80 E CA -0.132 56.164 56.400 -0.174 0.000 0.889 80 E CB 1.098 30.677 29.700 -0.202 0.000 0.984 80 E HN 0.406 nan 8.360 nan 0.000 0.425 81 V N 3.937 123.532 119.914 -0.531 0.000 2.547 81 V HA 0.319 4.435 4.120 -0.007 0.000 0.299 81 V C -0.947 174.869 176.094 -0.463 0.000 1.040 81 V CA -0.602 61.428 62.300 -0.450 0.000 0.913 81 V CB 0.597 32.279 31.823 -0.235 0.000 0.992 81 V HN 0.510 nan 8.190 nan 0.000 0.449 82 Y N 1.891 122.096 120.300 -0.159 0.000 2.545 82 Y HA 0.705 5.249 4.550 -0.010 0.000 0.348 82 Y C -0.087 175.723 175.900 -0.150 0.000 1.002 82 Y CA -1.514 56.468 58.100 -0.196 0.000 1.039 82 Y CB 1.948 40.284 38.460 -0.207 0.000 1.271 82 Y HN 0.606 nan 8.280 nan 0.000 0.467 83 Q N 0.371 120.171 119.800 -0.001 0.000 2.275 83 Q HA 0.518 4.854 4.340 -0.007 0.000 0.266 83 Q C -1.057 174.902 176.000 -0.067 0.000 1.002 83 Q CA -0.769 55.016 55.803 -0.031 0.000 0.761 83 Q CB 1.868 30.577 28.738 -0.049 0.000 1.255 83 Q HN 0.636 nan 8.270 nan 0.000 0.446 84 T N 1.093 115.614 114.554 -0.056 0.000 3.256 84 T HA 0.314 4.660 4.350 -0.007 0.000 0.249 84 T C 0.054 174.721 174.700 -0.055 0.000 0.975 84 T CA -0.586 61.451 62.100 -0.106 0.000 1.011 84 T CB -0.232 68.535 68.868 -0.168 0.000 1.127 84 T HN 0.712 nan 8.240 nan 0.000 0.543 85 R N 0.165 120.634 120.500 -0.052 0.000 3.390 85 R HA -0.103 4.233 4.340 -0.007 0.000 0.280 85 R C 0.508 176.798 176.300 -0.017 0.000 1.126 85 R CA 0.767 56.843 56.100 -0.041 0.000 0.757 85 R CB -1.558 28.707 30.300 -0.058 0.000 1.296 85 R HN 0.742 nan 8.270 nan 0.000 0.431 86 G N -0.640 108.157 108.800 -0.005 0.000 3.247 86 G HA2 0.482 4.437 3.960 -0.007 0.000 0.199 86 G HA3 0.482 4.437 3.960 -0.007 0.000 0.199 86 G C -1.143 173.753 174.900 -0.007 0.000 1.172 86 G CA -0.884 44.218 45.100 0.003 0.000 0.844 86 G HN 0.098 nan 8.290 nan 0.000 0.619 87 K N 1.407 121.804 120.400 -0.004 0.000 2.339 87 K HA 0.313 4.629 4.320 -0.007 0.000 0.286 87 K C -2.609 173.982 176.600 -0.016 0.000 1.050 87 K CA -1.233 55.046 56.287 -0.013 0.000 0.956 87 K CB 1.152 33.644 32.500 -0.013 0.000 0.990 87 K HN 0.044 nan 8.250 nan 0.000 0.475 88 P HA -0.069 nan 4.420 nan 0.000 0.267 88 P C -0.738 176.541 177.300 -0.035 0.000 1.201 88 P CA 0.300 63.379 63.100 -0.034 0.000 0.775 88 P CB 0.482 32.150 31.700 -0.054 0.000 0.854 89 Q N -0.435 119.349 119.800 -0.028 0.000 2.451 89 Q HA 0.419 4.755 4.340 -0.007 0.000 0.281 89 Q C -0.016 175.937 176.000 -0.078 0.000 1.099 89 Q CA -0.613 55.164 55.803 -0.043 0.000 0.806 89 Q CB 1.696 30.425 28.738 -0.015 0.000 1.419 89 Q HN 0.396 nan 8.270 nan 0.000 0.427 90 T N -1.799 112.694 114.554 -0.101 0.000 3.214 90 T HA 0.373 4.719 4.350 -0.007 0.000 0.264 90 T C 0.157 174.828 174.700 -0.047 0.000 1.012 90 T CA -0.307 61.730 62.100 -0.105 0.000 0.901 90 T CB 0.032 68.841 68.868 -0.098 0.000 1.070 90 T HN 0.274 nan 8.240 nan 0.000 0.561 91 R N 0.627 121.123 120.500 -0.007 0.000 2.855 91 R HA 0.666 5.002 4.340 -0.007 0.000 0.266 91 R C -1.670 174.700 176.300 0.117 0.000 1.034 91 R CA -1.014 55.066 56.100 -0.033 0.000 0.944 91 R CB 1.767 31.935 30.300 -0.219 0.000 1.219 91 R HN 0.444 nan 8.270 nan 0.000 0.474 92 Y N -1.935 118.281 120.300 -0.141 0.000 2.624 92 Y HA 0.502 5.046 4.550 -0.010 0.000 0.334 92 Y C -1.760 174.014 175.900 -0.209 0.000 1.155 92 Y CA -1.472 56.526 58.100 -0.171 0.000 1.046 92 Y CB 0.756 39.155 38.460 -0.101 0.000 1.316 92 Y HN 0.418 nan 8.280 nan 0.000 0.457 93 Y N 1.879 122.242 120.300 0.105 0.000 2.313 93 Y HA 0.689 5.231 4.550 -0.013 0.000 0.332 93 Y C 0.479 176.465 175.900 0.144 0.000 1.071 93 Y CA -0.383 57.748 58.100 0.051 0.000 1.169 93 Y CB 1.534 40.030 38.460 0.060 0.000 1.192 93 Y HN 0.895 nan 8.280 nan 0.000 0.487 94 A N 3.558 126.541 122.820 0.272 0.000 2.309 94 A HA 0.735 5.051 4.320 -0.007 0.000 0.298 94 A C -0.375 177.343 177.584 0.225 0.000 1.165 94 A CA -0.428 51.760 52.037 0.250 0.000 0.821 94 A CB 0.141 19.253 19.000 0.186 0.000 1.102 94 A HN 0.736 nan 8.150 nan 0.000 0.500 95 V N -1.563 118.462 119.914 0.185 0.000 3.158 95 V HA 0.962 5.078 4.120 -0.007 0.000 0.311 95 V C -0.117 176.042 176.094 0.109 0.000 1.181 95 V CA -0.549 61.841 62.300 0.149 0.000 1.054 95 V CB 1.560 33.488 31.823 0.175 0.000 1.085 95 V HN 1.705 nan 8.190 nan 0.000 0.446 96 A N 1.377 124.254 122.820 0.095 0.000 2.310 96 A HA 0.810 5.126 4.320 -0.007 0.000 0.304 96 A C -0.660 177.001 177.584 0.129 0.000 1.231 96 A CA -0.567 51.554 52.037 0.139 0.000 0.799 96 A CB 0.921 19.972 19.000 0.085 0.000 1.162 96 A HN 1.238 nan 8.150 nan 0.000 0.486 97 V N 3.407 123.409 119.914 0.148 0.000 2.481 97 V HA 0.646 4.762 4.120 -0.007 0.000 0.286 97 V C 0.348 176.468 176.094 0.043 0.000 1.042 97 V CA -0.261 62.111 62.300 0.120 0.000 0.928 97 V CB 1.102 33.043 31.823 0.197 0.000 0.986 97 V HN 1.125 nan 8.190 nan 0.000 0.462 98 V N 2.159 122.062 119.914 -0.019 0.000 3.159 98 V HA 0.678 4.794 4.120 -0.007 0.000 0.308 98 V C -0.636 175.344 176.094 -0.189 0.000 1.190 98 V CA -1.186 61.007 62.300 -0.178 0.000 1.037 98 V CB 2.166 33.743 31.823 -0.409 0.000 1.060 98 V HN 0.744 nan 8.190 nan 0.000 0.437 99 K N 1.566 121.772 120.400 -0.324 0.000 2.185 99 K HA 0.438 4.754 4.320 -0.007 0.000 0.271 99 K C -0.088 176.343 176.600 -0.282 0.000 1.013 99 K CA -0.533 55.493 56.287 -0.435 0.000 0.943 99 K CB 0.887 33.101 32.500 -0.477 0.000 0.998 99 K HN 0.718 nan 8.250 nan 0.000 0.468 100 K N 0.276 120.539 120.400 -0.229 0.000 2.319 100 K HA 0.071 4.387 4.320 -0.007 0.000 0.265 100 K C 0.679 177.206 176.600 -0.122 0.000 1.000 100 K CA 0.708 56.911 56.287 -0.139 0.000 0.943 100 K CB 0.548 32.994 32.500 -0.090 0.000 0.950 100 K HN 0.877 nan 8.250 nan 0.000 0.485 101 G N 0.783 109.534 108.800 -0.082 0.000 2.137 101 G HA2 -0.276 3.680 3.960 -0.007 0.000 0.237 101 G HA3 -0.276 3.680 3.960 -0.007 0.000 0.237 101 G C 0.549 175.429 174.900 -0.034 0.000 1.002 101 G CA 0.578 45.647 45.100 -0.051 0.000 0.702 101 G HN 0.624 nan 8.290 nan 0.000 0.515 102 S N -1.515 114.154 115.700 -0.051 0.000 2.502 102 S HA 0.437 4.903 4.470 -0.007 0.000 0.215 102 S C 2.467 177.169 174.600 0.171 0.000 1.009 102 S CA 1.407 59.625 58.200 0.030 0.000 0.908 102 S CB 0.487 63.601 63.200 -0.144 0.000 0.801 102 S HN 2.278 nan 8.310 nan 0.000 0.505 103 G N 1.924 110.770 108.800 0.078 0.000 2.507 103 G HA2 -0.333 3.623 3.960 -0.007 0.000 0.240 103 G HA3 -0.333 3.623 3.960 -0.007 0.000 0.240 103 G C 0.186 175.218 174.900 0.219 0.000 1.119 103 G CA 0.427 45.604 45.100 0.128 0.000 0.664 103 G HN 0.501 nan 8.290 nan 0.000 0.516 104 F N 1.156 121.105 119.950 -0.002 0.000 2.696 104 F HA 0.541 5.064 4.527 -0.006 0.000 0.319 104 F C 1.024 176.828 175.800 0.007 0.000 1.218 104 F CA -0.351 57.653 58.000 0.006 0.000 1.369 104 F CB -0.220 38.789 39.000 0.014 0.000 1.111 104 F HN 0.250 nan 8.300 nan 0.000 0.615 105 Q N -0.417 119.543 119.800 0.267 0.000 2.605 105 Q HA 0.327 4.663 4.340 -0.007 0.000 0.296 105 Q C 0.735 176.823 176.000 0.147 0.000 1.056 105 Q CA -0.889 54.994 55.803 0.134 0.000 0.778 105 Q CB 1.708 30.496 28.738 0.084 0.000 1.497 105 Q HN 0.544 nan 8.270 nan 0.000 0.443 106 L N 1.996 123.272 121.223 0.087 0.000 2.265 106 L HA -0.133 4.203 4.340 -0.007 0.000 0.215 106 L C 1.127 177.974 176.870 -0.038 0.000 1.117 106 L CA 1.989 56.870 54.840 0.068 0.000 0.782 106 L CB -0.295 41.792 42.059 0.046 0.000 0.914 106 L HN 0.648 nan 8.230 nan 0.000 0.441 107 N N -1.157 117.502 118.700 -0.068 0.000 2.313 107 N HA -0.059 4.677 4.740 -0.007 0.000 0.207 107 N C 0.707 176.098 175.510 -0.198 0.000 1.141 107 N CA 0.251 53.141 53.050 -0.267 0.000 0.830 107 N CB -0.058 38.409 38.487 -0.033 0.000 1.008 107 N HN 0.558 nan 8.380 nan 0.000 0.481 108 Q N -0.083 119.679 119.800 -0.063 0.000 2.112 108 Q HA 0.350 4.686 4.340 -0.007 0.000 0.222 108 Q C 1.055 177.034 176.000 -0.035 0.000 0.798 108 Q CA -0.188 55.598 55.803 -0.028 0.000 1.060 108 Q CB 0.674 29.424 28.738 0.020 0.000 1.184 108 Q HN 0.212 nan 8.270 nan 0.000 0.475 109 L N 0.583 121.819 121.223 0.022 0.000 2.450 109 L HA -0.102 4.233 4.340 -0.007 0.000 0.224 109 L C 1.144 178.077 176.870 0.105 0.000 1.149 109 L CA 0.638 55.520 54.840 0.069 0.000 0.816 109 L CB -0.533 41.667 42.059 0.236 0.000 0.932 109 L HN 0.375 nan 8.230 nan 0.000 0.449 110 Q N 1.407 121.343 119.800 0.227 0.000 2.264 110 Q HA 0.141 4.477 4.340 -0.007 0.000 0.296 110 Q C 1.021 177.087 176.000 0.111 0.000 1.103 110 Q CA 1.200 57.183 55.803 0.299 0.000 0.967 110 Q CB 0.204 29.006 28.738 0.107 0.000 1.090 110 Q HN 0.371 nan 8.270 nan 0.000 0.379 111 G N 2.255 111.145 108.800 0.149 0.000 2.157 111 G HA2 -0.217 3.739 3.960 -0.007 0.000 0.239 111 G HA3 -0.217 3.739 3.960 -0.007 0.000 0.239 111 G C -0.085 174.835 174.900 0.032 0.000 0.982 111 G CA -0.074 45.072 45.100 0.077 0.000 0.650 111 G HN 0.666 nan 8.290 nan 0.000 0.527 112 V N 0.658 120.603 119.914 0.052 0.000 3.036 112 V HA 0.464 4.580 4.120 -0.007 0.000 0.308 112 V C 0.848 176.943 176.094 0.002 0.000 1.070 112 V CA -0.459 61.793 62.300 -0.079 0.000 1.056 112 V CB 1.504 33.169 31.823 -0.262 0.000 1.084 112 V HN 0.300 nan 8.190 nan 0.000 0.471 113 K N 1.990 122.341 120.400 -0.082 0.000 2.172 113 K HA 0.574 4.890 4.320 -0.007 0.000 0.276 113 K C -0.278 176.146 176.600 -0.292 0.000 1.013 113 K CA -0.149 56.065 56.287 -0.123 0.000 0.913 113 K CB 1.396 33.846 32.500 -0.084 0.000 1.055 113 K HN 0.867 nan 8.250 nan 0.000 0.461 114 S N 0.489 115.918 115.700 -0.452 0.000 2.548 114 S HA 0.478 4.944 4.470 -0.007 0.000 0.286 114 S C -0.658 173.675 174.600 -0.445 0.000 1.098 114 S CA -0.946 56.834 58.200 -0.700 0.000 0.930 114 S CB 1.006 63.316 63.200 -1.483 0.000 1.070 114 S HN 0.619 nan 8.310 nan 0.000 0.480 115 c N 3.743 122.047 118.600 -0.492 0.000 2.281 115 c HA 0.626 5.192 4.570 -0.007 0.000 0.323 115 c C 0.076 174.004 174.090 -0.270 0.000 1.270 115 c CA -0.577 55.588 56.329 -0.273 0.000 1.559 115 c CB -0.933 41.410 42.510 -0.279 0.000 2.239 115 c HN 0.886 nan 8.230 nan 0.000 0.488 116 H N 1.018 120.019 119.070 -0.115 0.000 2.573 116 H HA 0.244 4.796 4.556 -0.006 0.000 0.351 116 H C 1.064 176.435 175.328 0.071 0.000 1.163 116 H CA -0.010 56.069 56.048 0.053 0.000 1.205 116 H CB 2.073 31.950 29.762 0.191 0.000 1.605 116 H HN 0.709 nan 8.280 nan 0.000 0.525 117 T N -0.051 114.610 114.554 0.177 0.000 2.995 117 T HA 0.180 4.526 4.350 -0.007 0.000 0.269 117 T C 0.880 175.550 174.700 -0.050 0.000 1.091 117 T CA 0.581 62.666 62.100 -0.024 0.000 1.128 117 T CB 0.165 68.922 68.868 -0.186 0.000 0.891 117 T HN 0.831 nan 8.240 nan 0.000 0.492 118 G N 0.284 109.160 108.800 0.128 0.000 2.368 118 G HA2 0.372 4.328 3.960 -0.007 0.000 0.303 118 G HA3 0.372 4.328 3.960 -0.007 0.000 0.303 118 G C -1.589 173.385 174.900 0.123 0.000 1.590 118 G CA -0.760 44.426 45.100 0.142 0.000 0.938 118 G HN 0.527 nan 8.290 nan 0.000 0.675 119 L N 1.604 122.818 121.223 -0.017 0.000 2.462 119 L HA 0.512 4.848 4.340 -0.007 0.000 0.272 119 L C 1.510 178.309 176.870 -0.118 0.000 1.166 119 L CA 2.287 56.901 54.840 -0.377 0.000 0.880 119 L CB 0.756 42.505 42.059 -0.517 0.000 1.142 119 L HN 2.359 nan 8.230 nan 0.000 0.473 120 G N 3.382 112.056 108.800 -0.210 0.000 2.258 120 G HA2 -0.248 3.708 3.960 -0.007 0.000 0.233 120 G HA3 -0.248 3.708 3.960 -0.007 0.000 0.233 120 G C 0.551 175.615 174.900 0.274 0.000 1.006 120 G CA 0.113 45.300 45.100 0.145 0.000 0.620 120 G HN 0.632 nan 8.290 nan 0.000 0.511 121 R N 1.228 121.876 120.500 0.247 0.000 2.594 121 R HA 0.543 4.879 4.340 -0.007 0.000 0.272 121 R C 1.607 178.122 176.300 0.359 0.000 1.074 121 R CA 0.235 56.475 56.100 0.233 0.000 1.105 121 R CB 0.665 31.027 30.300 0.103 0.000 1.008 121 R HN 0.220 nan 8.270 nan 0.000 0.472 122 S N 1.912 117.838 115.700 0.378 0.000 2.444 122 S HA -0.289 4.177 4.470 -0.007 0.000 0.225 122 S C 1.994 176.806 174.600 0.352 0.000 1.042 122 S CA 1.801 60.260 58.200 0.432 0.000 1.132 122 S CB -0.381 63.088 63.200 0.449 0.000 1.099 122 S HN 0.800 nan 8.310 nan 0.000 0.417 123 A N 1.023 124.079 122.820 0.394 0.000 1.933 123 A HA 0.089 4.405 4.320 -0.007 0.000 0.218 123 A C 2.257 180.012 177.584 0.285 0.000 1.175 123 A CA 1.761 54.000 52.037 0.337 0.000 0.628 123 A CB -1.228 18.063 19.000 0.484 0.000 0.814 123 A HN 0.569 nan 8.150 nan 0.000 0.444 124 G N -3.149 105.846 108.800 0.325 0.000 2.623 124 G HA2 0.048 4.004 3.960 -0.007 0.000 0.214 124 G HA3 0.048 4.004 3.960 -0.007 0.000 0.214 124 G C 1.109 176.386 174.900 0.628 0.000 1.138 124 G CA 0.893 46.229 45.100 0.392 0.000 0.794 124 G HN 0.641 nan 8.290 nan 0.000 0.535 125 W N -0.438 121.044 121.300 0.302 0.000 5.056 125 W HA 0.065 4.720 4.660 -0.007 0.000 0.174 125 W C 1.280 177.925 176.519 0.210 0.000 2.712 125 W CA 0.144 57.678 57.345 0.315 0.000 2.038 125 W CB -0.508 29.098 29.460 0.242 0.000 1.247 125 W HN 0.043 nan 8.180 nan 0.000 0.926 126 N N 1.817 120.728 118.700 0.352 0.000 2.132 126 N HA -0.210 4.526 4.740 -0.007 0.000 0.191 126 N C 1.548 177.054 175.510 -0.007 0.000 1.015 126 N CA 2.654 55.804 53.050 0.167 0.000 0.864 126 N CB -0.601 38.030 38.487 0.239 0.000 1.006 126 N HN 0.295 nan 8.380 nan 0.000 0.430 127 I N 0.665 121.245 120.570 0.017 0.000 2.429 127 I HA -0.059 4.107 4.170 -0.007 0.000 0.247 127 I C -0.826 175.224 176.117 -0.112 0.000 1.099 127 I CA 0.380 61.656 61.300 -0.039 0.000 1.422 127 I CB -0.812 37.201 38.000 0.022 0.000 1.112 127 I HN 0.096 nan 8.210 nan 0.000 0.430 128 P HA -0.144 nan 4.420 nan 0.000 0.215 128 P C 1.848 179.037 177.300 -0.186 0.000 1.157 128 P CA 1.503 64.376 63.100 -0.379 0.000 0.863 128 P CB -0.022 31.115 31.700 -0.939 0.000 0.787 129 I N 0.424 120.879 120.570 -0.193 0.000 2.335 129 I HA -0.139 4.027 4.170 -0.007 0.000 0.251 129 I C 2.620 178.680 176.117 -0.094 0.000 1.129 129 I CA 1.851 63.018 61.300 -0.222 0.000 1.402 129 I CB -2.163 35.442 38.000 -0.659 0.000 1.069 129 I HN 0.047 nan 8.210 nan 0.000 0.424 130 G N -0.261 108.490 108.800 -0.081 0.000 2.484 130 G HA2 -0.145 3.811 3.960 -0.007 0.000 0.218 130 G HA3 -0.145 3.811 3.960 -0.007 0.000 0.218 130 G C 1.613 176.524 174.900 0.019 0.000 1.130 130 G CA 0.940 46.034 45.100 -0.011 0.000 0.784 130 G HN 0.356 nan 8.290 nan 0.000 0.543 131 T N 1.134 115.692 114.554 0.008 0.000 2.942 131 T HA 0.061 4.407 4.350 -0.007 0.000 0.265 131 T C 2.039 176.840 174.700 0.169 0.000 1.062 131 T CA 0.473 62.604 62.100 0.051 0.000 1.139 131 T CB -0.037 68.832 68.868 0.001 0.000 0.883 131 T HN 0.172 nan 8.240 nan 0.000 0.468 132 L N 0.531 121.872 121.223 0.195 0.000 2.607 132 L HA 0.348 4.683 4.340 -0.007 0.000 0.228 132 L C 2.422 179.532 176.870 0.400 0.000 1.123 132 L CA -0.058 55.034 54.840 0.421 0.000 0.890 132 L CB -0.330 41.937 42.059 0.347 0.000 1.103 132 L HN 0.063 nan 8.230 nan 0.000 0.468 133 R N 1.520 122.146 120.500 0.210 0.000 2.103 133 R HA -0.167 4.168 4.340 -0.007 0.000 0.242 133 R C -0.542 175.811 176.300 0.088 0.000 1.142 133 R CA 1.669 57.873 56.100 0.175 0.000 0.960 133 R CB -0.927 29.462 30.300 0.149 0.000 0.858 133 R HN 0.229 nan 8.270 nan 0.000 0.439 134 P HA -0.120 nan 4.420 nan 0.000 0.223 134 P C -0.075 177.005 177.300 -0.368 0.000 1.144 134 P CA 1.253 64.195 63.100 -0.264 0.000 0.783 134 P CB 0.019 31.455 31.700 -0.440 0.000 0.771 135 Y N -2.733 117.553 120.300 -0.023 0.000 2.444 135 Y HA 0.223 4.769 4.550 -0.007 0.000 0.249 135 Y C 1.904 177.543 175.900 -0.436 0.000 1.134 135 Y CA -0.123 57.875 58.100 -0.169 0.000 1.261 135 Y CB -0.586 37.817 38.460 -0.095 0.000 1.143 135 Y HN -0.173 nan 8.280 nan 0.000 0.523 136 L N 0.172 121.329 121.223 -0.111 0.000 2.217 136 L HA -0.116 4.220 4.340 -0.007 0.000 0.211 136 L C 0.060 176.859 176.870 -0.120 0.000 1.107 136 L CA 0.932 55.656 54.840 -0.193 0.000 0.783 136 L CB -0.582 41.542 42.059 0.108 0.000 0.919 136 L HN 0.340 nan 8.230 nan 0.000 0.442 137 N N -0.700 117.971 118.700 -0.049 0.000 2.641 137 N HA -0.244 4.492 4.740 -0.007 0.000 0.267 137 N C -0.894 174.667 175.510 0.086 0.000 1.087 137 N CA 0.167 53.205 53.050 -0.021 0.000 0.731 137 N CB -0.690 37.756 38.487 -0.068 0.000 0.886 137 N HN 0.385 nan 8.380 nan 0.000 0.547 138 W N 1.728 122.988 121.300 -0.067 0.000 2.529 138 W HA 0.452 5.108 4.660 -0.007 0.000 0.321 138 W C 1.029 177.530 176.519 -0.030 0.000 1.047 138 W CA -0.758 56.563 57.345 -0.040 0.000 1.216 138 W CB 0.710 30.158 29.460 -0.021 0.000 1.357 138 W HN 0.059 nan 8.180 nan 0.000 0.489 139 T N 3.520 118.080 114.554 0.010 0.000 2.607 139 T HA 0.201 4.547 4.350 -0.007 0.000 0.267 139 T C 0.721 174.973 174.700 -0.747 0.000 1.049 139 T CA 2.539 64.492 62.100 -0.245 0.000 1.162 139 T CB -0.810 68.046 68.868 -0.019 0.000 0.863 139 T HN 0.942 nan 8.240 nan 0.000 0.424 140 G N -0.306 107.604 108.800 -1.484 0.000 2.369 140 G HA2 0.167 4.123 3.960 -0.007 0.000 0.295 140 G HA3 0.167 4.123 3.960 -0.007 0.000 0.295 140 G C -2.436 172.287 174.900 -0.296 0.000 1.298 140 G CA -0.309 43.821 45.100 -1.617 0.000 0.940 140 G HN -0.051 nan 8.290 nan 0.000 0.536 141 P HA -0.208 nan 4.420 nan 0.000 0.224 141 P C -1.161 176.307 177.300 0.281 0.000 1.153 141 P CA 3.088 66.399 63.100 0.351 0.000 0.947 141 P CB -1.076 30.717 31.700 0.155 0.000 0.790 142 P HA -0.168 nan 4.420 nan 0.000 0.220 142 P C 0.742 178.154 177.300 0.186 0.000 1.155 142 P CA 1.469 64.646 63.100 0.129 0.000 0.880 142 P CB -0.392 31.354 31.700 0.078 0.000 0.790 143 E N -0.301 120.082 120.200 0.306 0.000 2.115 143 E HA 0.207 4.553 4.350 -0.007 0.000 0.282 143 E C -2.388 174.408 176.600 0.327 0.000 0.987 143 E CA -3.068 53.535 56.400 0.338 0.000 0.797 143 E CB 0.556 30.515 29.700 0.431 0.000 1.086 143 E HN 0.015 nan 8.360 nan 0.000 0.397 144 P HA -0.127 nan 4.420 nan 0.000 0.262 144 P C 0.459 177.518 177.300 -0.402 0.000 1.182 144 P CA -0.078 62.979 63.100 -0.073 0.000 0.761 144 P CB 0.537 32.203 31.700 -0.056 0.000 0.795 145 L N 4.845 125.739 121.223 -0.549 0.000 2.046 145 L HA -0.215 4.121 4.340 -0.007 0.000 0.208 145 L C 2.026 178.630 176.870 -0.444 0.000 1.077 145 L CA 1.921 56.227 54.840 -0.889 0.000 0.747 145 L CB -1.382 40.316 42.059 -0.602 0.000 0.896 145 L HN 0.396 nan 8.230 nan 0.000 0.432 146 Q N -0.527 119.107 119.800 -0.276 0.000 2.217 146 Q HA -0.289 4.047 4.340 -0.007 0.000 0.209 146 Q C 2.194 177.860 176.000 -0.557 0.000 0.988 146 Q CA 2.009 57.647 55.803 -0.276 0.000 0.878 146 Q CB -0.214 28.337 28.738 -0.312 0.000 0.909 146 Q HN 0.556 nan 8.270 nan 0.000 0.424 147 K N -0.239 119.716 120.400 -0.743 0.000 2.148 147 K HA -0.108 4.208 4.320 -0.007 0.000 0.204 147 K C 1.948 178.378 176.600 -0.284 0.000 1.050 147 K CA 0.962 56.887 56.287 -0.603 0.000 0.942 147 K CB -0.009 32.266 32.500 -0.374 0.000 0.724 147 K HN 0.157 nan 8.250 nan 0.000 0.446 148 A N 0.728 123.373 122.820 -0.292 0.000 1.835 148 A HA -0.072 4.244 4.320 -0.007 0.000 0.213 148 A C 2.260 179.821 177.584 -0.038 0.000 1.210 148 A CA 0.930 52.873 52.037 -0.158 0.000 0.605 148 A CB -0.706 18.160 19.000 -0.223 0.000 0.860 148 A HN 0.024 nan 8.150 nan 0.000 0.447 149 V N 0.536 120.425 119.914 -0.042 0.000 2.313 149 V HA -0.371 3.745 4.120 -0.007 0.000 0.253 149 V C 3.019 179.177 176.094 0.106 0.000 1.070 149 V CA 2.287 64.617 62.300 0.049 0.000 1.057 149 V CB -1.448 30.428 31.823 0.089 0.000 0.653 149 V HN 0.624 nan 8.190 nan 0.000 0.450 150 A N 0.043 122.894 122.820 0.053 0.000 1.940 150 A HA -0.225 4.091 4.320 -0.007 0.000 0.219 150 A C 2.042 179.684 177.584 0.096 0.000 1.176 150 A CA 2.054 54.140 52.037 0.082 0.000 0.631 150 A CB -0.550 18.471 19.000 0.036 0.000 0.814 150 A HN 0.623 nan 8.150 nan 0.000 0.446 151 N N -1.596 117.143 118.700 0.065 0.000 2.416 151 N HA -0.002 4.734 4.740 -0.007 0.000 0.177 151 N C 1.257 176.826 175.510 0.099 0.000 1.036 151 N CA 0.582 53.670 53.050 0.064 0.000 0.901 151 N CB -0.233 38.267 38.487 0.021 0.000 0.976 151 N HN 0.464 nan 8.380 nan 0.000 0.444 152 F N 1.083 120.960 119.950 -0.121 0.000 2.118 152 F HA 0.161 4.684 4.527 -0.007 0.000 0.293 152 F C 0.252 175.897 175.800 -0.258 0.000 1.102 152 F CA 0.160 58.002 58.000 -0.263 0.000 1.247 152 F CB -0.404 38.319 39.000 -0.461 0.000 1.017 152 F HN -0.265 nan 8.300 nan 0.000 0.475 153 F N 0.272 120.315 119.950 0.155 0.000 2.404 153 F HA 0.274 4.796 4.527 -0.007 0.000 0.339 153 F C 1.724 177.540 175.800 0.027 0.000 1.105 153 F CA -0.440 57.563 58.000 0.005 0.000 1.087 153 F CB 0.983 39.931 39.000 -0.088 0.000 1.143 153 F HN -0.285 nan 8.300 nan 0.000 0.491 154 S N 1.732 117.560 115.700 0.214 0.000 2.402 154 S HA 0.107 4.573 4.470 -0.007 0.000 0.233 154 S C 0.436 175.091 174.600 0.092 0.000 1.030 154 S CA 1.383 59.650 58.200 0.112 0.000 1.003 154 S CB -0.128 63.109 63.200 0.062 0.000 0.813 154 S HN 0.781 nan 8.310 nan 0.000 0.477 155 A N -1.218 121.657 122.820 0.092 0.000 2.581 155 A HA 0.649 4.964 4.320 -0.007 0.000 0.294 155 A C -0.753 176.843 177.584 0.020 0.000 1.035 155 A CA -0.573 51.500 52.037 0.059 0.000 0.684 155 A CB 0.874 19.893 19.000 0.032 0.000 1.282 155 A HN 0.129 nan 8.150 nan 0.000 0.417 156 S N -1.279 114.432 115.700 0.018 0.000 2.656 156 S HA 0.688 5.153 4.470 -0.007 0.000 0.273 156 S C -1.420 173.189 174.600 0.014 0.000 1.168 156 S CA -0.024 58.162 58.200 -0.022 0.000 0.817 156 S CB 1.733 64.923 63.200 -0.016 0.000 1.146 156 S HN 1.885 nan 8.310 nan 0.000 0.475 157 c N 2.789 121.405 118.600 0.027 0.000 2.653 157 c HA 0.710 5.276 4.570 -0.007 0.000 0.291 157 c C -1.060 173.094 174.090 0.107 0.000 1.064 157 c CA -0.168 56.205 56.329 0.074 0.000 1.469 157 c CB -1.420 41.146 42.510 0.092 0.000 1.861 157 c HN 0.556 nan 8.230 nan 0.000 0.434 158 V N 8.202 128.159 119.914 0.071 0.000 2.239 158 V HA 0.319 4.435 4.120 -0.007 0.000 0.267 158 V C -2.018 174.117 176.094 0.067 0.000 1.056 158 V CA -1.295 61.041 62.300 0.060 0.000 0.830 158 V CB 0.803 32.596 31.823 -0.051 0.000 1.090 158 V HN 0.679 nan 8.190 nan 0.000 0.459 159 P HA 0.045 nan 4.420 nan 0.000 0.267 159 P C 0.699 178.063 177.300 0.107 0.000 1.195 159 P CA 0.233 63.430 63.100 0.161 0.000 0.773 159 P CB 0.232 32.127 31.700 0.326 0.000 0.837 160 c N -0.448 118.198 118.600 0.077 0.000 4.400 160 c HA -0.086 4.480 4.570 -0.007 0.000 0.275 160 c C 1.014 175.069 174.090 -0.058 0.000 1.391 160 c CA 0.272 56.627 56.329 0.045 0.000 1.816 160 c CB -2.831 39.788 42.510 0.181 0.000 1.404 160 c HN 0.799 nan 8.230 nan 0.000 0.754 161 A N -0.095 122.691 122.820 -0.057 0.000 2.295 161 A HA 0.554 4.870 4.320 -0.007 0.000 0.318 161 A C 0.174 177.746 177.584 -0.020 0.000 1.134 161 A CA -0.023 51.970 52.037 -0.074 0.000 0.827 161 A CB 0.316 19.282 19.000 -0.058 0.000 1.136 161 A HN 0.381 nan 8.150 nan 0.000 0.493 162 D N 2.011 122.422 120.400 0.018 0.000 2.422 162 D HA 0.105 4.741 4.640 -0.007 0.000 0.263 162 D C 1.474 177.764 176.300 -0.017 0.000 1.334 162 D CA 0.889 54.876 54.000 -0.022 0.000 1.105 162 D CB 0.468 41.219 40.800 -0.081 0.000 1.107 162 D HN 0.711 nan 8.370 nan 0.000 0.522 163 G N 2.487 111.276 108.800 -0.018 0.000 2.625 163 G HA2 -0.222 3.734 3.960 -0.007 0.000 0.214 163 G HA3 -0.222 3.734 3.960 -0.007 0.000 0.214 163 G C 1.554 176.431 174.900 -0.039 0.000 1.132 163 G CA 0.378 45.476 45.100 -0.004 0.000 0.782 163 G HN 0.354 nan 8.290 nan 0.000 0.538 164 K N -0.331 120.017 120.400 -0.088 0.000 2.005 164 K HA 0.033 4.349 4.320 -0.007 0.000 0.206 164 K C 2.512 178.995 176.600 -0.195 0.000 1.044 164 K CA 0.906 57.123 56.287 -0.118 0.000 0.942 164 K CB -0.105 32.324 32.500 -0.119 0.000 0.727 164 K HN 0.220 nan 8.250 nan 0.000 0.439 165 Q N -0.563 119.009 119.800 -0.379 0.000 2.331 165 Q HA -0.040 4.296 4.340 -0.007 0.000 0.203 165 Q C -0.263 175.301 176.000 -0.727 0.000 0.944 165 Q CA 0.850 56.251 55.803 -0.669 0.000 0.892 165 Q CB 0.462 28.534 28.738 -1.110 0.000 0.983 165 Q HN 0.289 nan 8.270 nan 0.000 0.482 166 Y N -0.907 119.389 120.300 -0.007 0.000 2.477 166 Y HA 0.240 4.786 4.550 -0.007 0.000 0.340 166 Y C -1.942 173.962 175.900 0.007 0.000 0.987 166 Y CA -2.785 55.316 58.100 0.003 0.000 1.127 166 Y CB 0.537 38.997 38.460 -0.000 0.000 1.139 166 Y HN 0.038 nan 8.280 nan 0.000 0.637 167 P HA -0.202 nan 4.420 nan 0.000 0.221 167 P C 1.048 178.395 177.300 0.077 0.000 1.145 167 P CA 1.470 64.606 63.100 0.059 0.000 0.795 167 P CB 0.603 32.321 31.700 0.031 0.000 0.775 168 N N -0.137 118.624 118.700 0.102 0.000 2.205 168 N HA -0.102 4.634 4.740 -0.007 0.000 0.186 168 N C 1.829 177.396 175.510 0.095 0.000 1.015 168 N CA 0.843 53.951 53.050 0.096 0.000 0.862 168 N CB -0.657 37.897 38.487 0.112 0.000 0.986 168 N HN 0.103 nan 8.380 nan 0.000 0.429 169 L N -1.188 120.099 121.223 0.108 0.000 2.291 169 L HA -0.051 4.285 4.340 -0.007 0.000 0.214 169 L C 1.528 178.435 176.870 0.061 0.000 1.120 169 L CA 0.412 55.303 54.840 0.086 0.000 0.799 169 L CB -0.053 42.064 42.059 0.097 0.000 0.925 169 L HN 0.363 nan 8.230 nan 0.000 0.446 170 c N -1.669 116.969 118.600 0.064 0.000 3.019 170 c HA 0.096 4.662 4.570 -0.007 0.000 0.295 170 c C 2.718 176.845 174.090 0.062 0.000 1.256 170 c CA -0.502 55.862 56.329 0.059 0.000 1.706 170 c CB -0.208 42.329 42.510 0.045 0.000 2.153 170 c HN 0.430 nan 8.230 nan 0.000 0.618 171 R N 1.144 121.678 120.500 0.056 0.000 2.134 171 R HA -0.190 4.146 4.340 -0.007 0.000 0.248 171 R C 1.741 178.077 176.300 0.060 0.000 1.143 171 R CA 1.678 57.810 56.100 0.052 0.000 0.957 171 R CB -0.330 29.998 30.300 0.048 0.000 0.867 171 R HN 0.492 nan 8.270 nan 0.000 0.441 172 L N 0.082 121.340 121.223 0.058 0.000 2.376 172 L HA -0.038 4.298 4.340 -0.007 0.000 0.219 172 L C 0.791 177.759 176.870 0.163 0.000 1.133 172 L CA -0.197 54.683 54.840 0.067 0.000 0.816 172 L CB -0.158 41.900 42.059 -0.002 0.000 0.933 172 L HN 0.260 nan 8.230 nan 0.000 0.449 173 c N 2.157 120.858 118.600 0.168 0.000 2.592 173 c HA 0.280 4.846 4.570 -0.007 0.000 0.408 173 c C 1.186 175.377 174.090 0.168 0.000 1.436 173 c CA -0.992 55.478 56.329 0.236 0.000 1.595 173 c CB -0.946 41.651 42.510 0.145 0.000 2.487 173 c HN 0.395 nan 8.230 nan 0.000 0.610 174 A N 3.757 126.650 122.820 0.122 0.000 2.309 174 A HA 0.834 5.150 4.320 -0.007 0.000 0.298 174 A C 0.396 177.907 177.584 -0.121 0.000 1.165 174 A CA 0.279 52.266 52.037 -0.083 0.000 0.821 174 A CB 0.491 19.291 19.000 -0.334 0.000 1.102 174 A HN 1.449 nan 8.150 nan 0.000 0.500 175 G N 0.631 109.388 108.800 -0.072 0.000 2.442 175 G HA2 0.540 4.496 3.960 -0.007 0.000 0.296 175 G HA3 0.540 4.496 3.960 -0.007 0.000 0.296 175 G C -0.221 174.655 174.900 -0.040 0.000 1.564 175 G CA 0.126 45.189 45.100 -0.061 0.000 0.828 175 G HN 1.302 nan 8.290 nan 0.000 0.571 176 T N -0.652 113.879 114.554 -0.038 0.000 3.193 176 T HA 0.237 4.582 4.350 -0.007 0.000 0.407 176 T C 1.547 176.235 174.700 -0.021 0.000 1.146 176 T CA 0.942 63.026 62.100 -0.028 0.000 1.085 176 T CB 0.260 69.112 68.868 -0.027 0.000 1.424 176 T HN 0.548 nan 8.240 nan 0.000 0.521 177 E N 1.428 121.618 120.200 -0.018 0.000 1.998 177 E HA -0.205 4.141 4.350 -0.007 0.000 0.221 177 E C 2.322 178.913 176.600 -0.016 0.000 1.018 177 E CA 1.879 58.270 56.400 -0.015 0.000 0.891 177 E CB -1.329 28.362 29.700 -0.015 0.000 0.807 177 E HN 0.826 nan 8.360 nan 0.000 0.523 178 A N 0.801 123.610 122.820 -0.019 0.000 2.218 178 A HA -0.030 4.285 4.320 -0.007 0.000 0.209 178 A C 1.443 179.013 177.584 -0.024 0.000 1.168 178 A CA 0.552 52.577 52.037 -0.020 0.000 0.804 178 A CB -0.026 18.961 19.000 -0.022 0.000 0.834 178 A HN 0.046 nan 8.150 nan 0.000 0.482 179 D N 0.353 120.737 120.400 -0.027 0.000 2.269 179 D HA -0.044 4.592 4.640 -0.007 0.000 0.208 179 D C 0.956 177.240 176.300 -0.027 0.000 0.963 179 D CA 0.663 54.643 54.000 -0.034 0.000 0.864 179 D CB -0.111 40.666 40.800 -0.038 0.000 0.936 179 D HN 0.437 nan 8.370 nan 0.000 0.505 180 K N 0.055 120.444 120.400 -0.018 0.000 2.524 180 K HA -0.073 4.243 4.320 -0.007 0.000 0.279 180 K C 0.398 177.004 176.600 0.009 0.000 0.993 180 K CA 0.092 56.378 56.287 -0.002 0.000 1.030 180 K CB 0.303 32.805 32.500 0.004 0.000 0.891 180 K HN 0.161 nan 8.250 nan 0.000 0.488 181 c N 2.612 121.232 118.600 0.033 0.000 4.297 181 c HA -0.224 4.342 4.570 -0.007 0.000 0.290 181 c C 0.630 174.735 174.090 0.025 0.000 1.444 181 c CA 0.326 56.683 56.329 0.046 0.000 1.982 181 c CB -2.478 40.053 42.510 0.036 0.000 1.276 181 c HN 0.875 nan 8.230 nan 0.000 0.797 182 A N -0.552 122.266 122.820 -0.003 0.000 2.483 182 A HA 0.355 4.671 4.320 -0.007 0.000 0.238 182 A C 1.007 178.542 177.584 -0.081 0.000 1.070 182 A CA 0.728 52.736 52.037 -0.048 0.000 0.770 182 A CB 0.159 19.111 19.000 -0.081 0.000 1.008 182 A HN 1.274 nan 8.150 nan 0.000 0.497 183 c N 2.295 120.830 118.600 -0.108 0.000 2.454 183 c HA 0.429 4.995 4.570 -0.007 0.000 0.321 183 c C 0.985 174.749 174.090 -0.543 0.000 1.299 183 c CA 0.440 56.683 56.329 -0.142 0.000 1.683 183 c CB -2.978 39.543 42.510 0.018 0.000 1.772 183 c HN 0.816 nan 8.230 nan 0.000 0.596 184 S N -1.230 114.061 115.700 -0.683 0.000 2.732 184 S HA 0.327 4.793 4.470 -0.007 0.000 0.293 184 S C 0.451 174.583 174.600 -0.780 0.000 1.159 184 S CA -0.039 57.629 58.200 -0.888 0.000 0.847 184 S CB 1.063 64.032 63.200 -0.385 0.000 1.169 184 S HN 0.248 nan 8.310 nan 0.000 0.501 185 S N -0.117 115.320 115.700 -0.438 0.000 2.803 185 S HA -0.023 4.442 4.470 -0.007 0.000 0.226 185 S C 0.927 175.493 174.600 -0.056 0.000 0.962 185 S CA 0.272 58.432 58.200 -0.067 0.000 0.968 185 S CB -0.689 62.548 63.200 0.062 0.000 0.786 185 S HN 0.546 nan 8.310 nan 0.000 0.527 186 Q N 0.494 120.223 119.800 -0.118 0.000 2.163 186 Q HA 0.059 4.395 4.340 -0.007 0.000 0.198 186 Q C 0.622 176.588 176.000 -0.058 0.000 0.954 186 Q CA 0.658 56.415 55.803 -0.077 0.000 0.851 186 Q CB -0.122 28.563 28.738 -0.088 0.000 0.928 186 Q HN 0.716 nan 8.270 nan 0.000 0.459 187 E N 1.969 122.137 120.200 -0.053 0.000 2.129 187 E HA 0.056 4.402 4.350 -0.007 0.000 0.283 187 E C -2.087 174.531 176.600 0.030 0.000 1.080 187 E CA -1.877 54.520 56.400 -0.006 0.000 0.867 187 E CB 1.274 31.002 29.700 0.046 0.000 1.056 187 E HN -0.124 nan 8.360 nan 0.000 0.404 188 P HA -0.139 nan 4.420 nan 0.000 0.223 188 P C -0.407 176.912 177.300 0.032 0.000 1.144 188 P CA 1.066 64.108 63.100 -0.097 0.000 0.783 188 P CB 0.073 31.592 31.700 -0.302 0.000 0.771 189 Y N -2.326 118.042 120.300 0.114 0.000 2.625 189 Y HA 0.294 4.840 4.550 -0.007 0.000 0.285 189 Y C 0.523 176.522 175.900 0.165 0.000 1.168 189 Y CA -1.718 56.452 58.100 0.116 0.000 1.250 189 Y CB -1.148 37.358 38.460 0.075 0.000 1.130 189 Y HN -0.092 nan 8.280 nan 0.000 0.526 190 F N 0.762 120.804 119.950 0.153 0.000 2.385 190 F HA 0.655 5.178 4.527 -0.006 0.000 0.336 190 F C 0.742 176.583 175.800 0.067 0.000 1.100 190 F CA 0.297 58.351 58.000 0.091 0.000 1.116 190 F CB 0.627 39.659 39.000 0.053 0.000 1.166 190 F HN 0.252 nan 8.300 nan 0.000 0.511 191 G N 4.317 112.703 108.800 -0.690 0.000 2.712 191 G HA2 -0.309 3.647 3.960 -0.007 0.000 0.683 191 G HA3 -0.309 3.647 3.960 -0.007 0.000 0.683 191 G C -0.354 174.382 174.900 -0.274 0.000 1.320 191 G CA -0.177 44.518 45.100 -0.675 0.000 0.847 191 G HN 0.800 nan 8.290 nan 0.000 0.553 192 Y N 0.421 120.661 120.300 -0.100 0.000 2.128 192 Y HA -0.074 4.473 4.550 -0.004 0.000 0.284 192 Y C 3.385 179.297 175.900 0.020 0.000 1.154 192 Y CA 2.414 60.491 58.100 -0.038 0.000 1.149 192 Y CB -0.657 37.743 38.460 -0.101 0.000 0.976 192 Y HN 0.456 nan 8.280 nan 0.000 0.505 193 S N -0.429 115.378 115.700 0.179 0.000 2.406 193 S HA -0.072 4.393 4.470 -0.007 0.000 0.228 193 S C 2.375 177.114 174.600 0.230 0.000 1.020 193 S CA 0.829 59.130 58.200 0.170 0.000 0.965 193 S CB -0.820 62.445 63.200 0.109 0.000 0.798 193 S HN 0.644 nan 8.310 nan 0.000 0.488 194 G N 1.645 110.563 108.800 0.197 0.000 2.446 194 G HA2 -0.137 3.819 3.960 -0.007 0.000 0.217 194 G HA3 -0.137 3.819 3.960 -0.007 0.000 0.217 194 G C 1.567 176.614 174.900 0.245 0.000 1.168 194 G CA 0.929 46.192 45.100 0.272 0.000 0.771 194 G HN 0.565 nan 8.290 nan 0.000 0.551 195 A N 0.004 122.911 122.820 0.145 0.000 1.972 195 A HA 0.066 4.382 4.320 -0.007 0.000 0.219 195 A C 2.162 179.772 177.584 0.044 0.000 1.169 195 A CA 1.555 53.625 52.037 0.054 0.000 0.635 195 A CB -0.484 18.557 19.000 0.068 0.000 0.810 195 A HN 0.401 nan 8.150 nan 0.000 0.446 196 F N 0.247 120.199 119.950 0.003 0.000 2.163 196 F HA -0.037 4.487 4.527 -0.005 0.000 0.297 196 F C 2.055 177.853 175.800 -0.002 0.000 1.094 196 F CA 1.893 59.887 58.000 -0.010 0.000 1.290 196 F CB -0.016 38.972 39.000 -0.021 0.000 1.017 196 F HN 0.039 nan 8.300 nan 0.000 0.483 197 K N 0.075 120.548 120.400 0.122 0.000 2.057 197 K HA -0.172 4.144 4.320 -0.007 0.000 0.206 197 K C 2.427 178.956 176.600 -0.118 0.000 1.050 197 K CA 1.307 57.653 56.287 0.098 0.000 0.935 197 K CB -1.387 31.315 32.500 0.336 0.000 0.715 197 K HN 0.451 nan 8.250 nan 0.000 0.439 198 c N 0.680 119.004 118.600 -0.459 0.000 2.403 198 c HA -0.084 4.482 4.570 -0.007 0.000 0.282 198 c C 2.363 176.153 174.090 -0.500 0.000 1.297 198 c CA 0.902 56.600 56.329 -1.052 0.000 1.785 198 c CB -1.046 40.786 42.510 -1.130 0.000 1.963 198 c HN 0.524 nan 8.230 nan 0.000 0.507 199 L N 1.281 122.277 121.223 -0.378 0.000 2.071 199 L HA 0.105 4.441 4.340 -0.007 0.000 0.201 199 L C 2.464 179.168 176.870 -0.277 0.000 1.076 199 L CA 2.540 57.189 54.840 -0.319 0.000 0.755 199 L CB -1.654 40.209 42.059 -0.327 0.000 0.915 199 L HN 0.435 nan 8.230 nan 0.000 0.445 200 E N -0.253 119.747 120.200 -0.332 0.000 2.160 200 E HA -0.252 4.094 4.350 -0.007 0.000 0.195 200 E C 1.671 178.224 176.600 -0.080 0.000 0.991 200 E CA 1.466 57.767 56.400 -0.165 0.000 0.810 200 E CB -0.183 29.421 29.700 -0.160 0.000 0.742 200 E HN 0.704 nan 8.360 nan 0.000 0.466 201 N N -0.956 117.706 118.700 -0.063 0.000 2.521 201 N HA -0.017 4.719 4.740 -0.007 0.000 0.188 201 N C 0.692 176.185 175.510 -0.030 0.000 1.146 201 N CA 0.254 53.305 53.050 0.003 0.000 0.893 201 N CB 0.337 38.891 38.487 0.111 0.000 0.975 201 N HN 0.283 nan 8.380 nan 0.000 0.451 202 G N 0.318 109.066 108.800 -0.088 0.000 2.143 202 G HA2 -0.331 3.625 3.960 -0.007 0.000 0.248 202 G HA3 -0.331 3.625 3.960 -0.007 0.000 0.248 202 G C 0.826 175.679 174.900 -0.078 0.000 0.991 202 G CA 0.340 45.390 45.100 -0.084 0.000 0.689 202 G HN 0.439 nan 8.290 nan 0.000 0.522 203 A N -0.690 122.062 122.820 -0.112 0.000 1.975 203 A HA 0.617 4.933 4.320 -0.007 0.000 0.215 203 A C 1.653 179.156 177.584 -0.136 0.000 1.170 203 A CA 2.069 54.041 52.037 -0.107 0.000 0.656 203 A CB 0.011 18.920 19.000 -0.151 0.000 0.821 203 A HN 1.870 nan 8.150 nan 0.000 0.449 204 G N -2.130 106.558 108.800 -0.187 0.000 2.630 204 G HA2 0.472 4.428 3.960 -0.007 0.000 0.296 204 G HA3 0.472 4.428 3.960 -0.007 0.000 0.296 204 G C -0.663 174.158 174.900 -0.130 0.000 1.285 204 G CA -0.121 44.871 45.100 -0.180 0.000 0.958 204 G HN -0.044 nan 8.290 nan 0.000 0.479 205 D N -1.197 119.163 120.400 -0.067 0.000 2.392 205 D HA 0.124 4.760 4.640 -0.007 0.000 0.206 205 D C 0.095 176.404 176.300 0.015 0.000 1.046 205 D CA 0.535 54.584 54.000 0.082 0.000 0.865 205 D CB 1.665 42.714 40.800 0.415 0.000 0.969 205 D HN 0.131 nan 8.370 nan 0.000 0.509 206 V N 0.531 120.389 119.914 -0.093 0.000 2.733 206 V HA 0.666 4.781 4.120 -0.007 0.000 0.306 206 V C -1.610 174.325 176.094 -0.266 0.000 1.084 206 V CA -0.761 61.457 62.300 -0.138 0.000 0.905 206 V CB 1.757 33.579 31.823 -0.003 0.000 1.010 206 V HN 0.028 nan 8.190 nan 0.000 0.424 207 A N 6.614 129.372 122.820 -0.104 0.000 2.304 207 A HA 0.850 5.166 4.320 -0.007 0.000 0.323 207 A C -1.060 176.627 177.584 0.171 0.000 1.195 207 A CA -0.354 51.648 52.037 -0.058 0.000 0.826 207 A CB 0.662 19.681 19.000 0.031 0.000 1.184 207 A HN 0.689 nan 8.150 nan 0.000 0.496 208 F N 3.432 123.311 119.950 -0.118 0.000 2.303 208 F HA 0.467 4.990 4.527 -0.006 0.000 0.368 208 F C 0.609 176.441 175.800 0.053 0.000 1.105 208 F CA -0.858 57.096 58.000 -0.076 0.000 1.153 208 F CB 0.843 39.701 39.000 -0.237 0.000 1.362 208 F HN 0.526 nan 8.300 nan 0.000 0.511 209 V N 0.009 120.092 119.914 0.282 0.000 3.329 209 V HA 0.605 4.721 4.120 -0.007 0.000 0.308 209 V C -0.421 175.847 176.094 0.289 0.000 1.375 209 V CA -1.175 61.319 62.300 0.322 0.000 1.015 209 V CB 1.619 33.611 31.823 0.281 0.000 1.155 209 V HN 0.324 nan 8.190 nan 0.000 0.479 210 K N 0.306 120.806 120.400 0.167 0.000 2.090 210 K HA 0.280 4.596 4.320 -0.007 0.000 0.249 210 K C 0.769 177.289 176.600 -0.134 0.000 0.995 210 K CA 0.324 56.552 56.287 -0.097 0.000 0.914 210 K CB 1.429 33.426 32.500 -0.838 0.000 1.057 210 K HN 0.921 nan 8.250 nan 0.000 0.462 211 D N 0.042 120.342 120.400 -0.167 0.000 2.144 211 D HA -0.199 4.437 4.640 -0.007 0.000 0.199 211 D C 1.487 177.554 176.300 -0.388 0.000 0.984 211 D CA 1.760 55.557 54.000 -0.339 0.000 0.834 211 D CB -0.185 40.257 40.800 -0.596 0.000 0.955 211 D HN 0.456 nan 8.370 nan 0.000 0.465 212 S N -0.744 114.729 115.700 -0.379 0.000 2.395 212 S HA -0.110 4.356 4.470 -0.007 0.000 0.225 212 S C 2.009 176.500 174.600 -0.181 0.000 1.027 212 S CA 1.050 59.104 58.200 -0.245 0.000 0.965 212 S CB -1.061 61.916 63.200 -0.373 0.000 0.812 212 S HN 0.192 nan 8.310 nan 0.000 0.482 213 T N 2.592 116.959 114.554 -0.311 0.000 2.718 213 T HA -0.153 4.193 4.350 -0.007 0.000 0.266 213 T C 1.731 176.094 174.700 -0.561 0.000 1.033 213 T CA 1.820 63.710 62.100 -0.350 0.000 1.151 213 T CB -0.797 67.931 68.868 -0.234 0.000 0.853 213 T HN 0.323 nan 8.240 nan 0.000 0.466 214 V N 0.326 119.904 119.914 -0.560 0.000 2.307 214 V HA -0.104 4.012 4.120 -0.007 0.000 0.245 214 V C 2.027 177.668 176.094 -0.756 0.000 1.045 214 V CA 1.720 63.509 62.300 -0.853 0.000 1.024 214 V CB -0.725 30.658 31.823 -0.734 0.000 0.651 214 V HN 0.483 nan 8.190 nan 0.000 0.449 215 F N 0.305 120.053 119.950 -0.336 0.000 2.293 215 F HA -0.096 4.432 4.527 0.000 0.000 0.300 215 F C 2.420 178.070 175.800 -0.250 0.000 1.086 215 F CA 1.292 59.147 58.000 -0.242 0.000 1.375 215 F CB -0.407 38.483 39.000 -0.183 0.000 1.045 215 F HN 0.194 nan 8.300 nan 0.000 0.516 216 E N 0.000 120.109 120.200 -0.152 0.000 2.152 216 E HA -0.130 4.216 4.350 -0.007 0.000 0.192 216 E C 1.583 178.064 176.600 -0.197 0.000 0.983 216 E CA 0.853 57.152 56.400 -0.168 0.000 0.818 216 E CB -0.116 29.461 29.700 -0.204 0.000 0.758 216 E HN 0.471 nan 8.360 nan 0.000 0.467 217 N N -0.054 118.442 118.700 -0.340 0.000 2.388 217 N HA 0.061 4.796 4.740 -0.007 0.000 0.176 217 N C 0.107 175.497 175.510 -0.201 0.000 1.062 217 N CA 0.387 53.267 53.050 -0.285 0.000 0.895 217 N CB 0.880 39.093 38.487 -0.457 0.000 1.018 217 N HN 0.065 nan 8.380 nan 0.000 0.456 218 L N 1.506 122.573 121.223 -0.259 0.000 2.433 218 L HA 0.394 4.730 4.340 -0.007 0.000 0.256 218 L C -2.164 174.644 176.870 -0.104 0.000 1.063 218 L CA -1.388 53.356 54.840 -0.158 0.000 0.922 218 L CB 1.981 43.914 42.059 -0.211 0.000 1.238 218 L HN -0.305 nan 8.230 nan 0.000 0.466 219 P HA -0.036 nan 4.420 nan 0.000 0.239 219 P C -0.442 176.866 177.300 0.013 0.000 1.184 219 P CA 0.944 64.040 63.100 -0.006 0.000 0.760 219 P CB 0.186 31.880 31.700 -0.009 0.000 0.884 220 D N -0.495 119.908 120.400 0.004 0.000 2.492 220 D HA 0.023 4.658 4.640 -0.007 0.000 0.248 220 D C 0.813 177.126 176.300 0.021 0.000 1.101 220 D CA -0.373 53.638 54.000 0.018 0.000 0.840 220 D CB 1.536 42.346 40.800 0.017 0.000 1.209 220 D HN 0.079 nan 8.370 nan 0.000 0.524 221 E N 2.388 122.611 120.200 0.039 0.000 2.253 221 E HA -0.295 4.051 4.350 -0.007 0.000 0.202 221 E C 1.478 178.100 176.600 0.036 0.000 1.014 221 E CA 1.421 57.849 56.400 0.046 0.000 0.823 221 E CB 0.246 29.979 29.700 0.055 0.000 0.736 221 E HN 0.524 nan 8.360 nan 0.000 0.478 222 A N 0.981 123.821 122.820 0.034 0.000 1.930 222 A HA -0.164 4.151 4.320 -0.007 0.000 0.217 222 A C 1.946 179.561 177.584 0.050 0.000 1.175 222 A CA 1.388 53.447 52.037 0.037 0.000 0.627 222 A CB -0.247 18.772 19.000 0.032 0.000 0.815 222 A HN 0.257 nan 8.150 nan 0.000 0.443 223 E N -0.071 120.158 120.200 0.049 0.000 2.170 223 E HA -0.071 4.275 4.350 -0.007 0.000 0.191 223 E C 2.094 178.756 176.600 0.103 0.000 0.981 223 E CA 0.521 56.970 56.400 0.082 0.000 0.830 223 E CB -0.277 29.459 29.700 0.061 0.000 0.775 223 E HN 0.615 nan 8.360 nan 0.000 0.470 224 R N 0.920 121.427 120.500 0.011 0.000 2.148 224 R HA -0.078 4.258 4.340 -0.007 0.000 0.227 224 R C 1.305 177.656 176.300 0.084 0.000 1.103 224 R CA 1.027 57.099 56.100 -0.048 0.000 0.983 224 R CB -0.140 30.055 30.300 -0.176 0.000 0.874 224 R HN 0.060 nan 8.270 nan 0.000 0.451 225 D N 0.574 121.023 120.400 0.082 0.000 2.392 225 D HA -0.068 4.568 4.640 -0.007 0.000 0.228 225 D C 0.966 177.325 176.300 0.099 0.000 1.003 225 D CA 0.949 54.997 54.000 0.079 0.000 0.917 225 D CB 0.172 41.003 40.800 0.052 0.000 0.890 225 D HN 0.122 nan 8.370 nan 0.000 0.532 226 K N -0.661 119.852 120.400 0.189 0.000 2.404 226 K HA 0.068 4.384 4.320 -0.007 0.000 0.194 226 K C -0.484 176.116 176.600 0.001 0.000 1.023 226 K CA 0.201 56.545 56.287 0.096 0.000 1.094 226 K CB 0.490 33.055 32.500 0.108 0.000 0.841 226 K HN 0.145 nan 8.250 nan 0.000 0.523 227 Y N 0.200 120.482 120.300 -0.031 0.000 2.570 227 Y HA 0.393 4.939 4.550 -0.006 0.000 0.345 227 Y C 0.025 175.901 175.900 -0.040 0.000 1.014 227 Y CA -1.308 56.769 58.100 -0.039 0.000 1.063 227 Y CB 1.734 40.193 38.460 -0.002 0.000 1.272 227 Y HN -0.162 nan 8.280 nan 0.000 0.477 228 E N 0.636 120.897 120.200 0.102 0.000 2.450 228 E HA 0.685 5.031 4.350 -0.007 0.000 0.272 228 E C -1.693 174.934 176.600 0.046 0.000 0.967 228 E CA -1.039 55.388 56.400 0.045 0.000 0.818 228 E CB 2.862 32.553 29.700 -0.014 0.000 1.401 228 E HN 0.383 nan 8.360 nan 0.000 0.450 229 L N 1.570 122.816 121.223 0.038 0.000 2.365 229 L HA 0.472 4.808 4.340 -0.007 0.000 0.273 229 L C -0.917 175.964 176.870 0.019 0.000 1.000 229 L CA -0.849 54.020 54.840 0.049 0.000 0.819 229 L CB 1.263 43.375 42.059 0.088 0.000 1.284 229 L HN 0.278 nan 8.230 nan 0.000 0.418 230 L N 2.403 123.637 121.223 0.017 0.000 2.260 230 L HA 0.355 4.691 4.340 -0.007 0.000 0.289 230 L C -0.365 176.517 176.870 0.020 0.000 1.057 230 L CA -0.425 54.421 54.840 0.010 0.000 0.811 230 L CB 0.842 42.915 42.059 0.025 0.000 1.184 230 L HN 0.620 nan 8.230 nan 0.000 0.429 231 c N 3.967 122.574 118.600 0.012 0.000 2.466 231 c HA 0.242 4.808 4.570 -0.007 0.000 0.379 231 c C -0.455 173.633 174.090 -0.004 0.000 1.251 231 c CA -1.001 55.328 56.329 -0.001 0.000 2.263 231 c CB 0.610 43.114 42.510 -0.010 0.000 2.511 231 c HN 0.640 nan 8.230 nan 0.000 0.573 232 P HA -0.073 nan 4.420 nan 0.000 0.236 232 P C 0.293 177.595 177.300 0.004 0.000 1.172 232 P CA 1.447 64.540 63.100 -0.012 0.000 0.759 232 P CB -0.077 31.595 31.700 -0.047 0.000 0.843 233 D N -0.928 119.472 120.400 -0.001 0.000 2.755 233 D HA 0.005 4.641 4.640 -0.007 0.000 0.257 233 D C -0.108 176.205 176.300 0.021 0.000 1.291 233 D CA -0.887 53.119 54.000 0.010 0.000 0.836 233 D CB -1.335 39.463 40.800 -0.003 0.000 1.059 233 D HN -0.049 nan 8.370 nan 0.000 0.486 234 N N 0.401 119.120 118.700 0.030 0.000 2.716 234 N HA -0.183 4.553 4.740 -0.007 0.000 0.250 234 N C -0.453 175.074 175.510 0.028 0.000 1.033 234 N CA 1.455 54.527 53.050 0.037 0.000 0.727 234 N CB -1.116 37.400 38.487 0.047 0.000 0.950 234 N HN 0.675 nan 8.380 nan 0.000 0.541 235 T N -1.861 112.704 114.554 0.018 0.000 2.838 235 T HA 0.634 4.980 4.350 -0.007 0.000 0.292 235 T C -0.749 173.955 174.700 0.006 0.000 1.113 235 T CA -0.805 61.302 62.100 0.012 0.000 1.008 235 T CB 2.403 71.275 68.868 0.007 0.000 1.259 235 T HN 0.176 nan 8.240 nan 0.000 0.520 236 R N 1.290 121.790 120.500 0.000 0.000 2.480 236 R HA 0.635 4.971 4.340 -0.007 0.000 0.306 236 R C -0.834 175.466 176.300 -0.000 0.000 0.958 236 R CA -0.869 55.228 56.100 -0.006 0.000 0.861 236 R CB 2.079 32.366 30.300 -0.022 0.000 1.171 236 R HN 0.563 nan 8.270 nan 0.000 0.445 237 K N 2.644 123.048 120.400 0.007 0.000 2.395 237 K HA 0.464 4.780 4.320 -0.007 0.000 0.247 237 K C -2.447 174.170 176.600 0.027 0.000 0.973 237 K CA -2.137 54.157 56.287 0.011 0.000 0.828 237 K CB 2.073 34.575 32.500 0.004 0.000 1.272 237 K HN 0.304 nan 8.250 nan 0.000 0.439 238 P HA -0.114 nan 4.420 nan 0.000 0.269 238 P C 1.006 178.360 177.300 0.090 0.000 1.211 238 P CA 0.000 63.132 63.100 0.052 0.000 0.781 238 P CB 0.542 32.270 31.700 0.047 0.000 0.877 239 V N -0.707 119.264 119.914 0.094 0.000 2.720 239 V HA -0.167 3.949 4.120 -0.007 0.000 0.256 239 V C 1.367 177.693 176.094 0.387 0.000 1.082 239 V CA 2.117 64.495 62.300 0.129 0.000 1.101 239 V CB -1.414 30.354 31.823 -0.091 0.000 0.693 239 V HN 0.591 nan 8.190 nan 0.000 0.479 240 D N 0.755 121.387 120.400 0.387 0.000 2.325 240 D HA 0.239 4.875 4.640 -0.007 0.000 0.234 240 D C 1.249 177.539 176.300 -0.016 0.000 1.122 240 D CA 0.746 55.042 54.000 0.494 0.000 0.850 240 D CB 0.649 41.695 40.800 0.410 0.000 0.921 240 D HN 0.634 nan 8.370 nan 0.000 0.513 241 A N 0.420 123.230 122.820 -0.015 0.000 2.500 241 A HA 0.255 4.571 4.320 -0.007 0.000 0.267 241 A C 1.234 178.678 177.584 -0.234 0.000 1.290 241 A CA -0.645 51.273 52.037 -0.197 0.000 0.928 241 A CB -0.954 18.003 19.000 -0.071 0.000 1.066 241 A HN 0.257 nan 8.150 nan 0.000 0.516 242 F N 1.170 121.118 119.950 -0.004 0.000 2.236 242 F HA -0.229 4.292 4.527 -0.011 0.000 0.302 242 F C 2.085 177.735 175.800 -0.249 0.000 1.073 242 F CA 1.331 59.301 58.000 -0.051 0.000 1.336 242 F CB -0.552 38.443 39.000 -0.007 0.000 1.040 242 F HN 0.221 nan 8.300 nan 0.000 0.507 243 K N 0.917 120.827 120.400 -0.817 0.000 2.209 243 K HA -0.153 4.163 4.320 -0.007 0.000 0.204 243 K C 1.150 177.568 176.600 -0.305 0.000 1.048 243 K CA 1.591 57.432 56.287 -0.743 0.000 0.940 243 K CB -0.550 31.557 32.500 -0.654 0.000 0.729 243 K HN 0.357 nan 8.250 nan 0.000 0.451 244 E N -0.033 120.076 120.200 -0.152 0.000 2.244 244 E HA 0.080 4.426 4.350 -0.007 0.000 0.196 244 E C 0.121 176.737 176.600 0.027 0.000 0.939 244 E CA 0.318 56.706 56.400 -0.021 0.000 0.884 244 E CB 0.286 29.946 29.700 -0.068 0.000 0.850 244 E HN 0.265 nan 8.360 nan 0.000 0.481 245 c N 3.740 122.362 118.600 0.036 0.000 2.328 245 c HA 0.295 4.861 4.570 -0.007 0.000 0.446 245 c C -0.733 173.433 174.090 0.127 0.000 1.090 245 c CA -0.473 55.880 56.329 0.040 0.000 1.510 245 c CB -2.001 40.532 42.510 0.038 0.000 1.543 245 c HN 0.338 nan 8.230 nan 0.000 0.533 246 H N 2.337 121.419 119.070 0.020 0.000 2.690 246 H HA 0.366 4.919 4.556 -0.004 0.000 0.368 246 H C 0.093 175.464 175.328 0.073 0.000 1.150 246 H CA -1.022 55.073 56.048 0.079 0.000 1.174 246 H CB 0.803 30.643 29.762 0.130 0.000 1.684 246 H HN 0.311 nan 8.280 nan 0.000 0.538 247 L N 0.583 121.887 121.223 0.134 0.000 2.307 247 L HA 0.347 4.683 4.340 -0.007 0.000 0.211 247 L C 0.891 177.815 176.870 0.091 0.000 1.099 247 L CA 0.986 55.845 54.840 0.032 0.000 0.816 247 L CB -0.061 41.984 42.059 -0.023 0.000 0.952 247 L HN 0.821 nan 8.230 nan 0.000 0.455 248 A N -0.188 122.786 122.820 0.257 0.000 2.490 248 A HA 0.543 4.859 4.320 -0.007 0.000 0.292 248 A C -1.195 176.583 177.584 0.324 0.000 1.047 248 A CA -0.646 51.566 52.037 0.293 0.000 0.632 248 A CB 1.136 20.215 19.000 0.132 0.000 1.323 248 A HN 0.054 nan 8.150 nan 0.000 0.448 249 R N 0.660 121.255 120.500 0.159 0.000 2.422 249 R HA 0.563 4.899 4.340 -0.007 0.000 0.307 249 R C -0.702 175.491 176.300 -0.177 0.000 1.004 249 R CA -0.227 55.792 56.100 -0.135 0.000 0.882 249 R CB 1.202 31.330 30.300 -0.286 0.000 1.164 249 R HN 1.393 nan 8.270 nan 0.000 0.489 250 V N 2.050 121.772 119.914 -0.321 0.000 3.096 250 V HA 0.753 4.869 4.120 -0.007 0.000 0.319 250 V C -2.493 173.340 176.094 -0.435 0.000 1.082 250 V CA -2.349 59.766 62.300 -0.308 0.000 1.022 250 V CB 1.675 33.337 31.823 -0.269 0.000 1.103 250 V HN 0.635 nan 8.190 nan 0.000 0.455 251 P HA 0.275 nan 4.420 nan 0.000 0.278 251 P C -0.192 177.149 177.300 0.068 0.000 1.238 251 P CA -0.038 62.905 63.100 -0.262 0.000 0.794 251 P CB 1.086 32.469 31.700 -0.530 0.000 0.955 252 S N 1.576 117.438 115.700 0.270 0.000 2.592 252 S HA 0.045 4.511 4.470 -0.007 0.000 0.256 252 S C 0.693 175.686 174.600 0.654 0.000 1.369 252 S CA -0.245 58.299 58.200 0.573 0.000 0.984 252 S CB -0.420 62.825 63.200 0.076 0.000 0.919 252 S HN 0.474 nan 8.310 nan 0.000 0.576 253 H N -0.128 119.238 119.070 0.494 0.000 2.660 253 H HA 0.533 5.085 4.556 -0.006 0.000 0.374 253 H C 0.233 175.742 175.328 0.303 0.000 1.291 253 H CA -0.170 56.111 56.048 0.388 0.000 1.437 253 H CB 0.551 30.546 29.762 0.389 0.000 1.509 253 H HN 0.759 nan 8.280 nan 0.000 0.614 254 A N 0.967 123.985 122.820 0.329 0.000 2.604 254 A HA 0.358 4.674 4.320 -0.007 0.000 0.295 254 A C -1.157 176.504 177.584 0.128 0.000 1.067 254 A CA -0.652 51.500 52.037 0.192 0.000 0.683 254 A CB 1.099 20.044 19.000 -0.091 0.000 1.281 254 A HN 0.401 nan 8.150 nan 0.000 0.407 255 V N 2.018 122.023 119.914 0.150 0.000 2.455 255 V HA 0.436 4.552 4.120 -0.007 0.000 0.273 255 V C 0.481 176.529 176.094 -0.077 0.000 1.045 255 V CA 0.199 62.530 62.300 0.052 0.000 0.976 255 V CB 0.900 32.803 31.823 0.135 0.000 0.993 255 V HN 1.258 nan 8.190 nan 0.000 0.475 256 V N 3.376 123.205 119.914 -0.142 0.000 2.769 256 V HA 1.077 5.193 4.120 -0.007 0.000 0.312 256 V C -0.120 175.880 176.094 -0.156 0.000 1.058 256 V CA -0.237 61.978 62.300 -0.141 0.000 0.952 256 V CB 1.728 33.477 31.823 -0.123 0.000 1.019 256 V HN 1.107 nan 8.190 nan 0.000 0.445 257 A N 3.407 126.159 122.820 -0.115 0.000 2.583 257 A HA 0.801 5.116 4.320 -0.007 0.000 0.289 257 A C -0.264 177.281 177.584 -0.064 0.000 1.151 257 A CA -1.242 50.737 52.037 -0.097 0.000 0.695 257 A CB 1.315 20.268 19.000 -0.079 0.000 1.290 257 A HN 0.951 nan 8.150 nan 0.000 0.419 258 R N 0.153 120.624 120.500 -0.047 0.000 2.734 258 R HA 0.236 4.572 4.340 -0.007 0.000 0.266 258 R C 0.820 177.104 176.300 -0.027 0.000 1.044 258 R CA 0.372 56.456 56.100 -0.027 0.000 1.128 258 R CB 0.420 30.708 30.300 -0.019 0.000 1.010 258 R HN 0.705 nan 8.270 nan 0.000 0.461 259 S N 0.376 116.064 115.700 -0.019 0.000 2.406 259 S HA -0.013 4.453 4.470 -0.007 0.000 0.228 259 S C 0.556 175.145 174.600 -0.019 0.000 1.020 259 S CA 0.514 58.702 58.200 -0.020 0.000 0.965 259 S CB 0.453 63.645 63.200 -0.013 0.000 0.798 259 S HN 0.290 nan 8.310 nan 0.000 0.488 260 V N 2.527 122.431 119.914 -0.016 0.000 2.444 260 V HA 0.353 4.469 4.120 -0.007 0.000 0.294 260 V C -0.873 175.214 176.094 -0.012 0.000 1.022 260 V CA -0.677 61.615 62.300 -0.013 0.000 0.850 260 V CB 1.313 33.129 31.823 -0.011 0.000 0.992 260 V HN 0.227 nan 8.190 nan 0.000 0.426 261 D N 3.742 124.136 120.400 -0.010 0.000 2.716 261 D HA -0.142 4.494 4.640 -0.007 0.000 0.239 261 D C 1.224 177.519 176.300 -0.008 0.000 1.125 261 D CA 1.316 55.312 54.000 -0.006 0.000 0.681 261 D CB -0.910 39.887 40.800 -0.005 0.000 1.070 261 D HN 0.878 nan 8.370 nan 0.000 0.432 262 G N -0.130 108.663 108.800 -0.011 0.000 2.986 262 G HA2 0.029 3.984 3.960 -0.007 0.000 0.213 262 G HA3 0.029 3.984 3.960 -0.007 0.000 0.213 262 G C 0.665 175.562 174.900 -0.006 0.000 1.156 262 G CA 0.153 45.243 45.100 -0.016 0.000 0.763 262 G HN 0.370 nan 8.290 nan 0.000 0.547 263 R N -0.028 120.474 120.500 0.004 0.000 3.532 263 R HA -0.170 4.166 4.340 -0.007 0.000 0.284 263 R C 1.072 177.391 176.300 0.031 0.000 1.140 263 R CA 0.799 56.911 56.100 0.019 0.000 0.768 263 R CB -2.230 28.084 30.300 0.024 0.000 1.252 263 R HN 0.521 nan 8.270 nan 0.000 0.454 264 E N 1.324 121.536 120.200 0.019 0.000 2.114 264 E HA -0.261 4.085 4.350 -0.007 0.000 0.199 264 E C 1.248 177.900 176.600 0.088 0.000 1.008 264 E CA 1.910 58.329 56.400 0.031 0.000 0.810 264 E CB -0.108 29.585 29.700 -0.011 0.000 0.739 264 E HN 0.612 nan 8.360 nan 0.000 0.456 265 D N 1.269 121.715 120.400 0.077 0.000 2.104 265 D HA -0.189 4.447 4.640 -0.007 0.000 0.194 265 D C 2.116 178.493 176.300 0.129 0.000 0.994 265 D CA 0.947 55.017 54.000 0.116 0.000 0.830 265 D CB -0.446 40.401 40.800 0.078 0.000 0.959 265 D HN 0.129 nan 8.370 nan 0.000 0.452 266 L N 0.934 122.211 121.223 0.089 0.000 2.012 266 L HA -0.138 4.198 4.340 -0.007 0.000 0.210 266 L C 2.750 179.682 176.870 0.103 0.000 1.073 266 L CA 1.187 56.076 54.840 0.080 0.000 0.748 266 L CB -0.592 41.505 42.059 0.063 0.000 0.891 266 L HN 0.033 nan 8.230 nan 0.000 0.431 267 I N -1.971 118.673 120.570 0.123 0.000 2.226 267 I HA -0.363 3.803 4.170 -0.007 0.000 0.245 267 I C 2.398 178.618 176.117 0.172 0.000 1.100 267 I CA 1.485 62.879 61.300 0.155 0.000 1.374 267 I CB -0.494 37.580 38.000 0.122 0.000 1.057 267 I HN 0.505 nan 8.210 nan 0.000 0.413 268 W N 2.661 123.967 121.300 0.010 0.000 2.388 268 W HA -0.183 4.472 4.660 -0.009 0.000 0.294 268 W C 2.268 178.817 176.519 0.051 0.000 1.212 268 W CA 1.207 58.548 57.345 -0.006 0.000 1.271 268 W CB 0.034 29.475 29.460 -0.031 0.000 1.126 268 W HN 0.069 nan 8.180 nan 0.000 0.535 269 K N 0.060 120.396 120.400 -0.107 0.000 2.057 269 K HA -0.241 4.075 4.320 -0.007 0.000 0.207 269 K C 1.933 178.436 176.600 -0.161 0.000 1.049 269 K CA 1.465 57.660 56.287 -0.153 0.000 0.931 269 K CB -0.827 31.668 32.500 -0.008 0.000 0.714 269 K HN 0.089 nan 8.250 nan 0.000 0.440 270 L N 1.823 123.005 121.223 -0.067 0.000 1.970 270 L HA -0.174 4.162 4.340 -0.007 0.000 0.212 270 L C 1.889 178.738 176.870 -0.035 0.000 1.071 270 L CA 1.712 56.553 54.840 0.001 0.000 0.751 270 L CB -0.905 41.224 42.059 0.118 0.000 0.889 270 L HN 0.128 nan 8.230 nan 0.000 0.432 271 L N -1.003 120.132 121.223 -0.147 0.000 2.191 271 L HA -0.227 4.109 4.340 -0.007 0.000 0.212 271 L C 2.658 179.355 176.870 -0.288 0.000 1.103 271 L CA 1.449 56.123 54.840 -0.276 0.000 0.769 271 L CB -0.748 40.916 42.059 -0.658 0.000 0.908 271 L HN 0.514 nan 8.230 nan 0.000 0.438 272 H N -0.417 118.219 119.070 -0.723 0.000 2.395 272 H HA -0.064 4.488 4.556 -0.008 0.000 0.299 272 H C 2.258 177.424 175.328 -0.269 0.000 1.070 272 H CA 0.507 56.188 56.048 -0.612 0.000 1.356 272 H CB 0.432 29.727 29.762 -0.778 0.000 1.401 272 H HN 0.105 nan 8.280 nan 0.000 0.524 273 R N 0.508 120.879 120.500 -0.214 0.000 2.073 273 R HA -0.007 4.329 4.340 -0.007 0.000 0.229 273 R C 2.391 178.581 176.300 -0.183 0.000 1.120 273 R CA 0.972 56.938 56.100 -0.224 0.000 0.967 273 R CB -0.724 29.480 30.300 -0.159 0.000 0.862 273 R HN 0.371 nan 8.270 nan 0.000 0.436 274 A N 1.459 124.267 122.820 -0.021 0.000 1.858 274 A HA -0.232 4.084 4.320 -0.007 0.000 0.216 274 A C 2.162 179.765 177.584 0.031 0.000 1.190 274 A CA 1.542 53.656 52.037 0.127 0.000 0.617 274 A CB -0.503 18.686 19.000 0.316 0.000 0.827 274 A HN 0.408 nan 8.150 nan 0.000 0.443 275 Q N -0.741 119.122 119.800 0.105 0.000 2.030 275 Q HA -0.247 4.089 4.340 -0.007 0.000 0.204 275 Q C 2.138 178.138 176.000 0.001 0.000 0.986 275 Q CA 1.604 57.494 55.803 0.145 0.000 0.843 275 Q CB -0.353 28.516 28.738 0.218 0.000 0.904 275 Q HN 0.815 nan 8.270 nan 0.000 0.420 276 E N 0.492 120.639 120.200 -0.088 0.000 2.097 276 E HA -0.264 4.082 4.350 -0.007 0.000 0.196 276 E C 1.684 178.155 176.600 -0.214 0.000 1.000 276 E CA 1.350 57.655 56.400 -0.158 0.000 0.804 276 E CB 0.173 29.716 29.700 -0.263 0.000 0.740 276 E HN 0.201 nan 8.360 nan 0.000 0.454 277 E N -1.468 118.510 120.200 -0.370 0.000 2.216 277 E HA 0.001 4.347 4.350 -0.007 0.000 0.192 277 E C 0.518 176.743 176.600 -0.626 0.000 0.973 277 E CA 0.628 56.651 56.400 -0.629 0.000 0.851 277 E CB 0.285 29.347 29.700 -1.064 0.000 0.804 277 E HN 0.221 nan 8.360 nan 0.000 0.477 278 F N -1.564 118.372 119.950 -0.023 0.000 2.781 278 F HA 0.441 4.964 4.527 -0.007 0.000 0.322 278 F C 1.184 176.883 175.800 -0.168 0.000 1.108 278 F CA -0.222 57.713 58.000 -0.109 0.000 1.179 278 F CB -0.143 38.752 39.000 -0.175 0.000 1.072 278 F HN -0.063 nan 8.300 nan 0.000 0.545 279 G N 1.062 109.903 108.800 0.067 0.000 2.268 279 G HA2 0.012 3.968 3.960 -0.007 0.000 0.330 279 G HA3 0.012 3.968 3.960 -0.007 0.000 0.330 279 G C 0.338 175.315 174.900 0.128 0.000 1.413 279 G CA -0.642 44.558 45.100 0.166 0.000 1.094 279 G HN 0.095 nan 8.290 nan 0.000 0.581 280 R N 0.603 121.169 120.500 0.109 0.000 2.343 280 R HA 0.063 4.399 4.340 -0.007 0.000 0.326 280 R C 0.675 176.987 176.300 0.020 0.000 1.055 280 R CA 0.682 56.810 56.100 0.047 0.000 0.961 280 R CB -0.287 30.013 30.300 0.000 0.000 0.978 280 R HN 0.831 nan 8.270 nan 0.000 0.443 281 N N 1.282 119.991 118.700 0.015 0.000 2.815 281 N HA -0.247 4.489 4.740 -0.007 0.000 0.247 281 N C 0.634 176.151 175.510 0.012 0.000 1.030 281 N CA 1.380 54.435 53.050 0.009 0.000 0.881 281 N CB -0.063 38.425 38.487 0.001 0.000 1.134 281 N HN 0.503 nan 8.380 nan 0.000 0.582 282 K N -0.119 120.290 120.400 0.015 0.000 2.002 282 K HA -0.017 4.298 4.320 -0.007 0.000 0.209 282 K C 1.157 177.770 176.600 0.020 0.000 1.048 282 K CA 1.475 57.764 56.287 0.003 0.000 0.930 282 K CB -0.366 32.122 32.500 -0.021 0.000 0.714 282 K HN 0.279 nan 8.250 nan 0.000 0.438 283 S N -0.918 114.818 115.700 0.059 0.000 2.766 283 S HA 0.268 4.734 4.470 -0.007 0.000 0.307 283 S C 0.774 175.422 174.600 0.081 0.000 1.121 283 S CA -0.140 58.120 58.200 0.099 0.000 0.980 283 S CB 1.682 65.022 63.200 0.235 0.000 1.159 283 S HN 0.261 nan 8.310 nan 0.000 0.546 284 S N 0.037 115.792 115.700 0.091 0.000 2.663 284 S HA 0.312 4.778 4.470 -0.007 0.000 0.247 284 S C 1.753 176.404 174.600 0.084 0.000 1.074 284 S CA 0.503 58.742 58.200 0.064 0.000 0.955 284 S CB -0.588 62.639 63.200 0.045 0.000 0.901 284 S HN 0.912 nan 8.310 nan 0.000 0.505 285 A N 0.956 123.851 122.820 0.125 0.000 1.972 285 A HA 0.442 4.758 4.320 -0.007 0.000 0.219 285 A C 0.517 178.212 177.584 0.185 0.000 1.169 285 A CA 0.945 53.063 52.037 0.134 0.000 0.635 285 A CB -0.371 18.720 19.000 0.151 0.000 0.810 285 A HN 0.801 nan 8.150 nan 0.000 0.446 286 F N -1.548 118.389 119.950 -0.022 0.000 2.672 286 F HA 0.517 5.041 4.527 -0.005 0.000 0.311 286 F C -1.737 174.005 175.800 -0.097 0.000 1.113 286 F CA -1.104 56.792 58.000 -0.174 0.000 0.996 286 F CB 1.061 39.746 39.000 -0.525 0.000 1.286 286 F HN 0.057 nan 8.300 nan 0.000 0.441 287 Q N 5.429 124.764 119.800 -0.774 0.000 2.325 287 Q HA 0.415 4.751 4.340 -0.007 0.000 0.270 287 Q C 0.046 175.322 176.000 -1.207 0.000 1.020 287 Q CA -0.693 54.714 55.803 -0.660 0.000 0.785 287 Q CB 2.672 31.244 28.738 -0.277 0.000 1.259 287 Q HN 0.793 nan 8.270 nan 0.000 0.452 288 L N 2.058 122.624 121.223 -1.096 0.000 2.044 288 L HA 0.085 4.421 4.340 -0.007 0.000 0.205 288 L C 0.400 176.717 176.870 -0.920 0.000 1.075 288 L CA 1.749 55.862 54.840 -1.211 0.000 0.747 288 L CB 0.204 41.519 42.059 -1.240 0.000 0.903 288 L HN 0.643 nan 8.230 nan 0.000 0.435 289 F N 0.247 120.020 119.950 -0.296 0.000 2.949 289 F HA 0.543 5.068 4.527 -0.003 0.000 0.291 289 F C 0.888 176.611 175.800 -0.128 0.000 1.214 289 F CA -0.297 57.597 58.000 -0.177 0.000 1.381 289 F CB -0.569 38.318 39.000 -0.188 0.000 1.066 289 F HN 0.038 nan 8.300 nan 0.000 0.520 290 G N -0.902 107.862 108.800 -0.060 0.000 2.667 290 G HA2 0.622 4.578 3.960 -0.007 0.000 0.298 290 G HA3 0.622 4.578 3.960 -0.007 0.000 0.298 290 G C -1.116 173.765 174.900 -0.032 0.000 1.377 290 G CA -0.518 44.559 45.100 -0.038 0.000 0.964 290 G HN 0.081 nan 8.290 nan 0.000 0.493 291 S N -1.091 114.612 115.700 0.005 0.000 2.806 291 S HA 0.794 5.260 4.470 -0.007 0.000 0.306 291 S C 0.251 174.865 174.600 0.024 0.000 1.167 291 S CA -0.463 57.751 58.200 0.024 0.000 0.847 291 S CB 1.518 64.746 63.200 0.048 0.000 1.216 291 S HN 1.193 nan 8.310 nan 0.000 0.532 292 T N 0.018 114.591 114.554 0.032 0.000 2.860 292 T HA 0.311 4.657 4.350 -0.007 0.000 0.299 292 T C -2.210 172.509 174.700 0.031 0.000 1.045 292 T CA -1.094 61.023 62.100 0.028 0.000 1.071 292 T CB 0.269 69.153 68.868 0.028 0.000 0.985 292 T HN 0.179 nan 8.240 nan 0.000 0.537 293 P HA 0.061 nan 4.420 nan 0.000 0.216 293 P C 1.881 179.204 177.300 0.039 0.000 1.153 293 P CA 1.095 64.213 63.100 0.030 0.000 0.848 293 P CB -0.394 31.321 31.700 0.025 0.000 0.787 294 G N -0.406 108.414 108.800 0.034 0.000 2.440 294 G HA2 -0.176 3.780 3.960 -0.007 0.000 0.218 294 G HA3 -0.176 3.780 3.960 -0.007 0.000 0.218 294 G C 0.108 175.037 174.900 0.048 0.000 1.154 294 G CA 0.722 45.842 45.100 0.033 0.000 0.767 294 G HN 0.329 nan 8.290 nan 0.000 0.552 295 E N 0.008 120.241 120.200 0.055 0.000 2.246 295 E HA 0.453 4.799 4.350 -0.007 0.000 0.266 295 E C -0.590 176.062 176.600 0.087 0.000 0.880 295 E CA -0.676 55.771 56.400 0.079 0.000 0.762 295 E CB 1.876 31.617 29.700 0.069 0.000 1.180 295 E HN 0.013 nan 8.360 nan 0.000 0.416 296 Q N 1.142 121.007 119.800 0.109 0.000 2.166 296 Q HA 0.201 4.537 4.340 -0.007 0.000 0.226 296 Q C -0.483 175.593 176.000 0.127 0.000 0.989 296 Q CA -0.525 55.337 55.803 0.099 0.000 0.966 296 Q CB 0.501 29.293 28.738 0.089 0.000 1.173 296 Q HN 0.530 nan 8.270 nan 0.000 0.509 297 D N 0.830 121.303 120.400 0.121 0.000 2.971 297 D HA -0.204 4.432 4.640 -0.007 0.000 0.212 297 D C -0.689 175.706 176.300 0.158 0.000 1.243 297 D CA 0.765 54.856 54.000 0.152 0.000 0.781 297 D CB -1.166 39.740 40.800 0.176 0.000 0.894 297 D HN 0.271 nan 8.370 nan 0.000 0.392 298 L N 1.515 122.812 121.223 0.123 0.000 2.272 298 L HA 0.315 4.651 4.340 -0.007 0.000 0.289 298 L C 1.935 178.826 176.870 0.034 0.000 1.032 298 L CA -0.787 54.104 54.840 0.085 0.000 0.810 298 L CB 1.284 43.380 42.059 0.063 0.000 1.205 298 L HN 0.314 nan 8.230 nan 0.000 0.422 299 L N 1.806 123.005 121.223 -0.041 0.000 4.252 299 L HA -0.347 3.988 4.340 -0.007 0.000 0.370 299 L C -0.450 176.011 176.870 -0.681 0.000 0.743 299 L CA 1.630 56.275 54.840 -0.325 0.000 2.767 299 L CB -0.902 40.881 42.059 -0.461 0.000 0.809 299 L HN 0.462 nan 8.230 nan 0.000 0.696 300 F N -1.289 118.767 119.950 0.177 0.000 2.662 300 F HA 0.471 4.994 4.527 -0.006 0.000 0.312 300 F C 0.230 176.171 175.800 0.235 0.000 1.113 300 F CA -0.943 57.225 58.000 0.281 0.000 0.951 300 F CB 1.120 40.329 39.000 0.348 0.000 1.344 300 F HN -0.250 nan 8.300 nan 0.000 0.462 301 K N 1.479 122.130 120.400 0.419 0.000 2.339 301 K HA 0.180 4.496 4.320 -0.007 0.000 0.286 301 K C -0.811 175.889 176.600 0.168 0.000 1.050 301 K CA -0.212 56.192 56.287 0.195 0.000 0.956 301 K CB 0.194 32.676 32.500 -0.029 0.000 0.990 301 K HN 0.384 nan 8.250 nan 0.000 0.475 302 D N 2.970 123.437 120.400 0.110 0.000 2.571 302 D HA -0.066 4.570 4.640 -0.007 0.000 0.231 302 D C 0.007 176.308 176.300 0.002 0.000 1.133 302 D CA 1.083 55.130 54.000 0.077 0.000 0.862 302 D CB 0.376 41.190 40.800 0.024 0.000 1.179 302 D HN 0.720 nan 8.370 nan 0.000 0.474 303 S N -1.101 114.611 115.700 0.019 0.000 3.361 303 S HA -0.198 4.268 4.470 -0.007 0.000 0.288 303 S C 0.319 174.817 174.600 -0.170 0.000 1.269 303 S CA 0.633 58.791 58.200 -0.070 0.000 0.976 303 S CB -1.373 61.768 63.200 -0.099 0.000 1.162 303 S HN 0.807 nan 8.310 nan 0.000 0.643 304 A N 0.462 123.117 122.820 -0.275 0.000 2.407 304 A HA 0.638 4.954 4.320 -0.007 0.000 0.248 304 A C 1.276 178.419 177.584 -0.736 0.000 1.082 304 A CA -0.178 51.612 52.037 -0.411 0.000 0.785 304 A CB 0.223 18.917 19.000 -0.510 0.000 1.020 304 A HN 0.388 nan 8.150 nan 0.000 0.489 305 L N 1.134 122.045 121.223 -0.520 0.000 2.156 305 L HA 0.148 4.484 4.340 -0.007 0.000 0.208 305 L C 1.479 177.983 176.870 -0.611 0.000 1.095 305 L CA 1.543 56.119 54.840 -0.441 0.000 0.770 305 L CB -0.433 41.481 42.059 -0.242 0.000 0.914 305 L HN 1.028 nan 8.230 nan 0.000 0.439 306 G N -1.903 106.393 108.800 -0.840 0.000 2.455 306 G HA2 0.146 4.102 3.960 -0.007 0.000 0.223 306 G HA3 0.146 4.102 3.960 -0.007 0.000 0.223 306 G C -1.548 172.888 174.900 -0.773 0.000 1.226 306 G CA -0.746 43.871 45.100 -0.803 0.000 0.948 306 G HN -0.102 nan 8.290 nan 0.000 0.478 307 F N -0.311 119.697 119.950 0.097 0.000 2.654 307 F HA 0.824 5.347 4.527 -0.006 0.000 0.334 307 F C 0.285 176.258 175.800 0.287 0.000 1.078 307 F CA -0.906 57.223 58.000 0.215 0.000 0.986 307 F CB 2.223 41.465 39.000 0.403 0.000 1.362 307 F HN 0.628 nan 8.300 nan 0.000 0.498 308 V N -0.933 119.265 119.914 0.473 0.000 2.808 308 V HA 0.611 4.727 4.120 -0.007 0.000 0.308 308 V C -0.736 175.326 176.094 -0.053 0.000 1.099 308 V CA -1.137 61.301 62.300 0.230 0.000 0.920 308 V CB 1.637 33.602 31.823 0.237 0.000 1.014 308 V HN 0.856 nan 8.190 nan 0.000 0.425 309 R N 3.028 123.190 120.500 -0.564 0.000 2.490 309 R HA 0.589 4.925 4.340 -0.007 0.000 0.280 309 R C -0.685 175.232 176.300 -0.638 0.000 1.077 309 R CA -0.441 55.141 56.100 -0.863 0.000 1.065 309 R CB 0.750 30.207 30.300 -1.406 0.000 1.003 309 R HN 0.841 nan 8.270 nan 0.000 0.470 310 I N 7.236 127.435 120.570 -0.619 0.000 2.315 310 I HA 0.244 4.410 4.170 -0.007 0.000 0.291 310 I C -1.806 173.965 176.117 -0.577 0.000 1.006 310 I CA -2.344 58.460 61.300 -0.827 0.000 1.265 310 I CB 1.498 39.132 38.000 -0.610 0.000 1.387 310 I HN 0.479 nan 8.210 nan 0.000 0.475 311 P HA -0.017 nan 4.420 nan 0.000 0.272 311 P C 0.573 177.739 177.300 -0.224 0.000 1.239 311 P CA 0.208 63.125 63.100 -0.305 0.000 0.807 311 P CB 0.572 32.148 31.700 -0.207 0.000 0.951 312 S N -0.371 115.238 115.700 -0.151 0.000 2.338 312 S HA -0.195 4.270 4.470 -0.007 0.000 0.218 312 S C 1.813 176.366 174.600 -0.078 0.000 1.032 312 S CA 1.392 59.527 58.200 -0.109 0.000 0.999 312 S CB -0.717 62.433 63.200 -0.082 0.000 0.905 312 S HN 0.623 nan 8.310 nan 0.000 0.439 313 Q N 0.505 120.272 119.800 -0.056 0.000 2.234 313 Q HA -0.105 4.231 4.340 -0.007 0.000 0.206 313 Q C 0.003 175.987 176.000 -0.027 0.000 0.980 313 Q CA 0.772 56.554 55.803 -0.034 0.000 0.869 313 Q CB -0.175 28.550 28.738 -0.022 0.000 0.912 313 Q HN 0.305 nan 8.270 nan 0.000 0.436 314 I N 3.768 124.318 120.570 -0.034 0.000 2.828 314 I HA -0.099 4.067 4.170 -0.007 0.000 0.292 314 I C 0.217 176.331 176.117 -0.006 0.000 1.206 314 I CA 0.568 61.867 61.300 -0.001 0.000 1.420 314 I CB -0.674 37.326 38.000 -0.000 0.000 1.368 314 I HN 0.387 nan 8.210 nan 0.000 0.556 315 D N 4.081 124.497 120.400 0.028 0.000 2.616 315 D HA 0.248 4.884 4.640 -0.007 0.000 0.260 315 D C 0.949 177.291 176.300 0.071 0.000 1.158 315 D CA -0.415 53.599 54.000 0.024 0.000 1.085 315 D CB 0.240 41.053 40.800 0.022 0.000 1.222 315 D HN 0.375 nan 8.370 nan 0.000 0.626 316 S N -1.251 114.489 115.700 0.067 0.000 2.382 316 S HA -0.055 4.411 4.470 -0.007 0.000 0.228 316 S C 2.079 176.742 174.600 0.105 0.000 1.027 316 S CA 1.093 59.362 58.200 0.116 0.000 0.991 316 S CB -1.315 61.947 63.200 0.102 0.000 0.823 316 S HN 0.692 nan 8.310 nan 0.000 0.469 317 G N 1.884 110.708 108.800 0.040 0.000 2.421 317 G HA2 -0.049 3.907 3.960 -0.007 0.000 0.216 317 G HA3 -0.049 3.907 3.960 -0.007 0.000 0.216 317 G C 1.465 176.378 174.900 0.022 0.000 1.171 317 G CA 0.884 45.981 45.100 -0.005 0.000 0.775 317 G HN 0.484 nan 8.290 nan 0.000 0.543 318 L N -1.043 120.210 121.223 0.050 0.000 2.093 318 L HA -0.006 4.330 4.340 -0.007 0.000 0.208 318 L C 2.573 179.493 176.870 0.084 0.000 1.085 318 L CA 0.939 55.811 54.840 0.053 0.000 0.755 318 L CB -0.329 41.767 42.059 0.061 0.000 0.904 318 L HN 0.333 nan 8.230 nan 0.000 0.435 319 Y N 0.722 121.037 120.300 0.025 0.000 2.145 319 Y HA -0.265 4.281 4.550 -0.007 0.000 0.286 319 Y C 2.235 178.138 175.900 0.005 0.000 1.145 319 Y CA 1.671 59.803 58.100 0.054 0.000 1.148 319 Y CB -0.226 38.262 38.460 0.046 0.000 0.981 319 Y HN 0.011 nan 8.280 nan 0.000 0.507 320 L N -0.325 120.833 121.223 -0.109 0.000 2.072 320 L HA 0.126 4.462 4.340 -0.007 0.000 0.205 320 L C 1.365 178.154 176.870 -0.135 0.000 1.079 320 L CA 0.746 55.451 54.840 -0.224 0.000 0.752 320 L CB -1.144 40.873 42.059 -0.070 0.000 0.906 320 L HN 0.462 nan 8.230 nan 0.000 0.436 321 G N -1.830 106.936 108.800 -0.057 0.000 2.663 321 G HA2 -0.052 3.904 3.960 -0.007 0.000 0.686 321 G HA3 -0.052 3.904 3.960 -0.007 0.000 0.686 321 G C 0.404 175.309 174.900 0.007 0.000 1.288 321 G CA -0.264 44.816 45.100 -0.033 0.000 0.836 321 G HN 0.216 nan 8.290 nan 0.000 0.584 322 A N 0.401 123.218 122.820 -0.005 0.000 1.845 322 A HA -0.047 4.269 4.320 -0.007 0.000 0.215 322 A C 2.284 179.877 177.584 0.015 0.000 1.195 322 A CA 2.570 54.605 52.037 -0.003 0.000 0.616 322 A CB -0.846 18.144 19.000 -0.016 0.000 0.832 322 A HN 1.116 nan 8.150 nan 0.000 0.443 323 N N -1.293 117.418 118.700 0.018 0.000 2.058 323 N HA -0.271 4.465 4.740 -0.007 0.000 0.200 323 N C 1.585 177.121 175.510 0.042 0.000 1.033 323 N CA 2.298 55.364 53.050 0.026 0.000 0.880 323 N CB -0.665 37.843 38.487 0.035 0.000 1.069 323 N HN 0.632 nan 8.380 nan 0.000 0.461 324 Y N 0.877 121.158 120.300 -0.032 0.000 2.133 324 Y HA -0.042 4.503 4.550 -0.007 0.000 0.287 324 Y C 2.121 178.020 175.900 -0.003 0.000 1.134 324 Y CA 1.293 59.385 58.100 -0.013 0.000 1.133 324 Y CB -0.369 38.071 38.460 -0.033 0.000 0.987 324 Y HN 0.055 nan 8.280 nan 0.000 0.502 325 L N -0.388 120.918 121.223 0.138 0.000 2.013 325 L HA -0.312 4.024 4.340 -0.007 0.000 0.212 325 L C 2.648 179.515 176.870 -0.006 0.000 1.073 325 L CA 2.194 57.048 54.840 0.023 0.000 0.753 325 L CB -1.252 40.790 42.059 -0.027 0.000 0.890 325 L HN 0.448 nan 8.230 nan 0.000 0.432 326 T N -2.193 112.355 114.554 -0.009 0.000 2.595 326 T HA -0.248 4.098 4.350 -0.007 0.000 0.264 326 T C 1.958 176.649 174.700 -0.014 0.000 1.058 326 T CA 1.241 63.335 62.100 -0.009 0.000 1.166 326 T CB -0.699 68.158 68.868 -0.017 0.000 0.863 326 T HN 0.324 nan 8.240 nan 0.000 0.415 327 A N 1.563 124.348 122.820 -0.058 0.000 1.958 327 A HA -0.132 4.183 4.320 -0.007 0.000 0.221 327 A C 2.639 180.193 177.584 -0.051 0.000 1.178 327 A CA 2.648 54.639 52.037 -0.076 0.000 0.642 327 A CB -1.642 17.274 19.000 -0.140 0.000 0.816 327 A HN 0.675 nan 8.150 nan 0.000 0.453 328 T N -0.774 113.740 114.554 -0.067 0.000 2.732 328 T HA -0.127 4.219 4.350 -0.007 0.000 0.261 328 T C 2.084 176.924 174.700 0.233 0.000 1.040 328 T CA 1.352 63.515 62.100 0.105 0.000 1.145 328 T CB -0.254 68.793 68.868 0.298 0.000 0.866 328 T HN 0.565 nan 8.240 nan 0.000 0.427 329 Q N 0.930 120.870 119.800 0.233 0.000 2.135 329 Q HA -0.095 4.241 4.340 -0.007 0.000 0.204 329 Q C 1.966 178.054 176.000 0.147 0.000 0.981 329 Q CA 1.184 57.123 55.803 0.226 0.000 0.856 329 Q CB -0.276 28.551 28.738 0.148 0.000 0.902 329 Q HN 0.630 nan 8.270 nan 0.000 0.425 330 N N -0.126 118.633 118.700 0.098 0.000 2.520 330 N HA -0.083 4.653 4.740 -0.007 0.000 0.185 330 N C 1.165 176.743 175.510 0.114 0.000 1.068 330 N CA 0.204 53.297 53.050 0.071 0.000 0.911 330 N CB 0.098 38.604 38.487 0.031 0.000 0.961 330 N HN 0.217 nan 8.380 nan 0.000 0.446 331 L N 0.832 122.159 121.223 0.173 0.000 2.591 331 L HA 0.089 4.425 4.340 -0.007 0.000 0.228 331 L C 1.437 178.525 176.870 0.363 0.000 1.133 331 L CA 0.224 55.233 54.840 0.281 0.000 0.880 331 L CB 0.052 42.255 42.059 0.241 0.000 1.033 331 L HN 0.247 nan 8.230 nan 0.000 0.450 332 R N -0.725 119.922 120.500 0.244 0.000 2.629 332 R HA 0.359 4.694 4.340 -0.007 0.000 0.386 332 R C -0.405 175.971 176.300 0.127 0.000 1.071 332 R CA -0.098 56.139 56.100 0.228 0.000 1.104 332 R CB 0.388 30.798 30.300 0.183 0.000 1.370 332 R HN 0.208 nan 8.270 nan 0.000 0.574 333 E N 1.200 121.436 120.200 0.060 0.000 2.369 333 E HA 0.234 4.580 4.350 -0.007 0.000 0.270 333 E C -0.700 175.819 176.600 -0.135 0.000 0.909 333 E CA -0.919 55.468 56.400 -0.020 0.000 0.775 333 E CB 2.196 31.896 29.700 0.000 0.000 1.270 333 E HN 0.201 nan 8.360 nan 0.000 0.445 334 T N -1.670 112.791 114.554 -0.154 0.000 2.828 334 T HA 0.317 4.663 4.350 -0.007 0.000 0.290 334 T C 1.160 175.751 174.700 -0.183 0.000 1.019 334 T CA -0.019 61.943 62.100 -0.230 0.000 1.031 334 T CB 1.313 70.074 68.868 -0.178 0.000 1.001 334 T HN 0.533 nan 8.240 nan 0.000 0.531 335 A N 1.431 124.127 122.820 -0.207 0.000 1.908 335 A HA 0.140 4.455 4.320 -0.007 0.000 0.218 335 A C 2.673 180.195 177.584 -0.104 0.000 1.181 335 A CA 1.926 53.876 52.037 -0.146 0.000 0.627 335 A CB -1.574 17.338 19.000 -0.147 0.000 0.818 335 A HN 1.272 nan 8.150 nan 0.000 0.445 336 A N -0.330 122.429 122.820 -0.102 0.000 1.902 336 A HA -0.179 4.136 4.320 -0.007 0.000 0.217 336 A C 1.925 179.471 177.584 -0.063 0.000 1.181 336 A CA 1.668 53.660 52.037 -0.074 0.000 0.623 336 A CB -0.543 18.415 19.000 -0.070 0.000 0.818 336 A HN 0.643 nan 8.150 nan 0.000 0.443 337 E N -0.472 119.687 120.200 -0.069 0.000 2.077 337 E HA -0.133 4.213 4.350 -0.007 0.000 0.193 337 E C 2.030 178.603 176.600 -0.046 0.000 0.989 337 E CA 1.313 57.682 56.400 -0.052 0.000 0.800 337 E CB -0.274 29.396 29.700 -0.050 0.000 0.746 337 E HN 0.403 nan 8.360 nan 0.000 0.452 338 V N 1.343 121.225 119.914 -0.053 0.000 2.223 338 V HA -0.290 3.826 4.120 -0.007 0.000 0.244 338 V C 2.357 178.422 176.094 -0.048 0.000 1.045 338 V CA 1.993 64.265 62.300 -0.046 0.000 1.000 338 V CB -0.808 30.986 31.823 -0.049 0.000 0.635 338 V HN 0.345 nan 8.190 nan 0.000 0.445 339 A N -0.219 122.570 122.820 -0.052 0.000 1.948 339 A HA -0.207 4.109 4.320 -0.007 0.000 0.220 339 A C 2.372 179.932 177.584 -0.041 0.000 1.177 339 A CA 2.411 54.419 52.037 -0.048 0.000 0.636 339 A CB -0.824 18.148 19.000 -0.046 0.000 0.815 339 A HN 0.637 nan 8.150 nan 0.000 0.449 340 A N -0.123 122.674 122.820 -0.038 0.000 1.877 340 A HA -0.144 4.172 4.320 -0.007 0.000 0.216 340 A C 2.204 179.770 177.584 -0.030 0.000 1.186 340 A CA 2.010 54.029 52.037 -0.030 0.000 0.620 340 A CB -0.442 18.539 19.000 -0.031 0.000 0.822 340 A HN 0.563 nan 8.150 nan 0.000 0.443 341 R N -0.480 119.998 120.500 -0.036 0.000 2.092 341 R HA -0.023 4.313 4.340 -0.007 0.000 0.231 341 R C 2.200 178.466 176.300 -0.058 0.000 1.119 341 R CA 1.551 57.628 56.100 -0.037 0.000 0.970 341 R CB -0.359 29.920 30.300 -0.034 0.000 0.864 341 R HN 0.447 nan 8.270 nan 0.000 0.440 342 R N 0.059 120.514 120.500 -0.075 0.000 2.193 342 R HA -0.087 4.249 4.340 -0.007 0.000 0.229 342 R C 1.438 177.626 176.300 -0.186 0.000 1.110 342 R CA 1.831 57.854 56.100 -0.129 0.000 0.988 342 R CB 0.072 30.308 30.300 -0.106 0.000 0.871 342 R HN 0.449 nan 8.270 nan 0.000 0.458 343 E N -0.466 119.692 120.200 -0.071 0.000 2.364 343 E HA -0.018 4.328 4.350 -0.007 0.000 0.196 343 E C 0.328 177.026 176.600 0.163 0.000 0.990 343 E CA -0.042 56.383 56.400 0.041 0.000 0.886 343 E CB 0.427 30.163 29.700 0.060 0.000 0.866 343 E HN 0.335 nan 8.360 nan 0.000 0.493 344 R N 0.264 120.807 120.500 0.071 0.000 2.519 344 R HA 0.528 4.864 4.340 -0.007 0.000 0.244 344 R C -0.279 176.105 176.300 0.140 0.000 1.241 344 R CA -0.610 55.539 56.100 0.081 0.000 1.120 344 R CB 0.508 30.811 30.300 0.005 0.000 1.333 344 R HN -0.236 nan 8.270 nan 0.000 0.587 345 V N 0.651 120.609 119.914 0.073 0.000 2.668 345 V HA 0.268 4.384 4.120 -0.007 0.000 0.304 345 V C -0.932 175.182 176.094 0.032 0.000 1.071 345 V CA -0.933 61.426 62.300 0.099 0.000 0.894 345 V CB 2.057 33.959 31.823 0.132 0.000 1.008 345 V HN 0.532 nan 8.190 nan 0.000 0.425 346 V N 4.407 124.345 119.914 0.038 0.000 2.350 346 V HA 0.372 4.488 4.120 -0.007 0.000 0.276 346 V C -0.250 175.887 176.094 0.071 0.000 1.028 346 V CA -0.445 61.872 62.300 0.028 0.000 0.860 346 V CB 1.546 33.366 31.823 -0.005 0.000 0.990 346 V HN 0.860 nan 8.190 nan 0.000 0.453 347 W N 4.846 126.086 121.300 -0.100 0.000 2.375 347 W HA 0.433 5.089 4.660 -0.005 0.000 0.336 347 W C -0.391 176.118 176.519 -0.017 0.000 1.160 347 W CA -0.626 56.696 57.345 -0.038 0.000 1.266 347 W CB 1.773 31.222 29.460 -0.018 0.000 1.195 347 W HN 0.574 nan 8.180 nan 0.000 0.599 348 c N 5.265 123.705 118.600 -0.268 0.000 2.251 348 c HA 0.704 5.270 4.570 -0.007 0.000 0.323 348 c C 0.306 174.406 174.090 0.017 0.000 1.241 348 c CA -0.344 55.919 56.329 -0.109 0.000 1.601 348 c CB -0.939 41.454 42.510 -0.194 0.000 2.251 348 c HN 0.560 nan 8.230 nan 0.000 0.488 349 A N 5.360 128.253 122.820 0.122 0.000 2.328 349 A HA 0.622 4.938 4.320 -0.007 0.000 0.284 349 A C -0.340 177.270 177.584 0.045 0.000 1.160 349 A CA -0.258 51.867 52.037 0.148 0.000 0.818 349 A CB 0.555 19.654 19.000 0.166 0.000 1.087 349 A HN 0.867 nan 8.150 nan 0.000 0.504 350 V N 2.860 122.790 119.914 0.027 0.000 2.320 350 V HA 0.626 4.742 4.120 -0.007 0.000 0.265 350 V C 0.841 176.913 176.094 -0.036 0.000 1.048 350 V CA 0.777 63.057 62.300 -0.034 0.000 0.865 350 V CB -0.454 31.328 31.823 -0.069 0.000 1.043 350 V HN 1.904 nan 8.190 nan 0.000 0.474 351 G N 7.004 115.778 108.800 -0.044 0.000 2.699 351 G HA2 -0.086 3.870 3.960 -0.007 0.000 0.686 351 G HA3 -0.086 3.870 3.960 -0.007 0.000 0.686 351 G C -1.499 173.397 174.900 -0.007 0.000 1.301 351 G CA -0.242 44.831 45.100 -0.046 0.000 0.816 351 G HN 0.507 nan 8.290 nan 0.000 0.595 352 P HA -0.160 nan 4.420 nan 0.000 0.214 352 P C 1.306 178.625 177.300 0.031 0.000 1.163 352 P CA 2.138 65.245 63.100 0.011 0.000 0.889 352 P CB -0.015 31.687 31.700 0.003 0.000 0.790 353 E N 0.104 120.326 120.200 0.036 0.000 2.153 353 E HA -0.174 4.172 4.350 -0.007 0.000 0.194 353 E C 2.105 178.751 176.600 0.077 0.000 0.988 353 E CA 0.908 57.342 56.400 0.057 0.000 0.811 353 E CB -0.253 29.486 29.700 0.064 0.000 0.746 353 E HN 0.519 nan 8.360 nan 0.000 0.466 354 E N 0.817 121.065 120.200 0.079 0.000 2.107 354 E HA -0.151 4.195 4.350 -0.007 0.000 0.191 354 E C 2.041 178.717 176.600 0.127 0.000 0.982 354 E CA 0.443 56.909 56.400 0.111 0.000 0.809 354 E CB 0.017 29.786 29.700 0.114 0.000 0.756 354 E HN 0.274 nan 8.360 nan 0.000 0.459 355 E N 0.935 121.193 120.200 0.096 0.000 2.150 355 E HA -0.199 4.147 4.350 -0.007 0.000 0.193 355 E C 2.082 178.732 176.600 0.082 0.000 0.985 355 E CA 0.581 57.034 56.400 0.089 0.000 0.814 355 E CB 0.180 29.913 29.700 0.055 0.000 0.752 355 E HN -0.016 nan 8.360 nan 0.000 0.466 356 R N 1.029 121.574 120.500 0.076 0.000 2.082 356 R HA -0.167 4.169 4.340 -0.007 0.000 0.228 356 R C 2.392 178.749 176.300 0.095 0.000 1.140 356 R CA 2.201 58.343 56.100 0.069 0.000 0.920 356 R CB -0.235 30.104 30.300 0.066 0.000 0.828 356 R HN -0.042 nan 8.270 nan 0.000 0.430 357 K N -0.389 120.090 120.400 0.131 0.000 2.113 357 K HA -0.222 4.094 4.320 -0.007 0.000 0.208 357 K C 2.184 178.928 176.600 0.241 0.000 1.047 357 K CA 1.912 58.321 56.287 0.203 0.000 0.928 357 K CB -0.583 32.029 32.500 0.186 0.000 0.716 357 K HN 0.353 nan 8.250 nan 0.000 0.446 358 c N 1.221 119.952 118.600 0.219 0.000 2.432 358 c HA -0.025 4.541 4.570 -0.007 0.000 0.277 358 c C 2.327 176.491 174.090 0.123 0.000 1.249 358 c CA 0.888 57.373 56.329 0.260 0.000 1.725 358 c CB -0.710 41.944 42.510 0.240 0.000 2.028 358 c HN 0.477 nan 8.230 nan 0.000 0.477 359 K N 0.435 120.873 120.400 0.062 0.000 2.103 359 K HA -0.185 4.131 4.320 -0.007 0.000 0.207 359 K C 2.083 178.642 176.600 -0.070 0.000 1.048 359 K CA 1.588 57.871 56.287 -0.006 0.000 0.930 359 K CB -0.672 31.829 32.500 0.003 0.000 0.716 359 K HN 0.698 nan 8.250 nan 0.000 0.444 360 Q N -0.739 119.016 119.800 -0.074 0.000 2.050 360 Q HA -0.192 4.144 4.340 -0.007 0.000 0.202 360 Q C 1.974 177.642 176.000 -0.555 0.000 0.980 360 Q CA 1.310 56.974 55.803 -0.233 0.000 0.840 360 Q CB -0.270 28.401 28.738 -0.112 0.000 0.898 360 Q HN 0.386 nan 8.270 nan 0.000 0.424 361 W N 1.159 121.928 121.300 -0.886 0.000 2.338 361 W HA -0.182 4.474 4.660 -0.007 0.000 0.304 361 W C 2.507 178.680 176.519 -0.576 0.000 1.212 361 W CA 1.544 58.261 57.345 -1.047 0.000 1.264 361 W CB -0.802 28.366 29.460 -0.486 0.000 1.142 361 W HN 0.023 nan 8.180 nan 0.000 0.512 362 S N 0.176 115.741 115.700 -0.226 0.000 2.343 362 S HA -0.198 4.267 4.470 -0.007 0.000 0.219 362 S C 1.624 176.102 174.600 -0.204 0.000 1.033 362 S CA 1.955 60.000 58.200 -0.257 0.000 1.014 362 S CB -0.650 62.446 63.200 -0.172 0.000 0.915 362 S HN 0.169 nan 8.310 nan 0.000 0.435 363 D N 0.872 121.166 120.400 -0.176 0.000 2.126 363 D HA -0.104 4.532 4.640 -0.007 0.000 0.190 363 D C 1.980 178.192 176.300 -0.148 0.000 1.001 363 D CA 1.408 55.325 54.000 -0.138 0.000 0.841 363 D CB -0.780 39.946 40.800 -0.123 0.000 0.949 363 D HN 0.312 nan 8.370 nan 0.000 0.446 364 V N 0.877 120.644 119.914 -0.244 0.000 2.913 364 V HA -0.137 3.979 4.120 -0.007 0.000 0.260 364 V C 1.862 177.881 176.094 -0.125 0.000 1.098 364 V CA 1.718 63.871 62.300 -0.245 0.000 1.121 364 V CB -0.486 31.014 31.823 -0.538 0.000 0.714 364 V HN 0.230 nan 8.190 nan 0.000 0.487 365 S N -0.418 115.211 115.700 -0.120 0.000 2.582 365 S HA 0.097 4.563 4.470 -0.007 0.000 0.234 365 S C 0.569 175.168 174.600 -0.001 0.000 0.961 365 S CA -0.186 58.021 58.200 0.011 0.000 0.953 365 S CB -0.582 62.588 63.200 -0.049 0.000 0.800 365 S HN 0.735 nan 8.310 nan 0.000 0.471 366 N N 2.887 121.575 118.700 -0.021 0.000 2.716 366 N HA -0.222 4.514 4.740 -0.007 0.000 0.250 366 N C -0.506 174.979 175.510 -0.042 0.000 1.033 366 N CA 0.820 53.857 53.050 -0.021 0.000 0.727 366 N CB -1.359 37.130 38.487 0.003 0.000 0.950 366 N HN 0.620 nan 8.380 nan 0.000 0.541 367 R N -1.611 118.841 120.500 -0.079 0.000 3.525 367 R HA -0.212 4.124 4.340 -0.007 0.000 0.276 367 R C 0.670 176.919 176.300 -0.085 0.000 1.116 367 R CA 1.314 57.357 56.100 -0.095 0.000 0.745 367 R CB -1.332 28.927 30.300 -0.068 0.000 1.185 367 R HN 0.561 nan 8.270 nan 0.000 0.454 368 K N 0.117 120.463 120.400 -0.091 0.000 2.365 368 K HA 0.069 4.385 4.320 -0.007 0.000 0.197 368 K C 0.660 177.186 176.600 -0.123 0.000 1.042 368 K CA 0.865 57.115 56.287 -0.062 0.000 0.987 368 K CB 0.572 33.054 32.500 -0.030 0.000 0.779 368 K HN -0.029 nan 8.250 nan 0.000 0.484 369 V N 1.083 120.849 119.914 -0.246 0.000 2.531 369 V HA 0.496 4.612 4.120 -0.007 0.000 0.301 369 V C -0.601 175.304 176.094 -0.316 0.000 1.034 369 V CA -0.942 61.124 62.300 -0.390 0.000 0.865 369 V CB 1.503 32.773 31.823 -0.921 0.000 0.995 369 V HN 0.138 nan 8.190 nan 0.000 0.424 370 A N 3.521 126.224 122.820 -0.194 0.000 2.346 370 A HA 0.912 5.228 4.320 -0.007 0.000 0.313 370 A C -0.549 176.997 177.584 -0.064 0.000 1.140 370 A CA -0.480 51.487 52.037 -0.118 0.000 0.826 370 A CB 1.580 20.539 19.000 -0.067 0.000 1.332 370 A HN 0.840 nan 8.150 nan 0.000 0.457 371 c N -0.377 118.211 118.600 -0.021 0.000 2.667 371 c HA 0.964 5.530 4.570 -0.007 0.000 0.323 371 c C 0.389 174.497 174.090 0.030 0.000 1.214 371 c CA -0.150 56.203 56.329 0.040 0.000 1.721 371 c CB 1.051 43.597 42.510 0.060 0.000 2.275 371 c HN 1.222 nan 8.230 nan 0.000 0.491 372 A N 1.428 124.275 122.820 0.045 0.000 2.455 372 A HA 0.899 5.215 4.320 -0.007 0.000 0.300 372 A C -0.526 177.069 177.584 0.017 0.000 1.040 372 A CA -0.236 51.809 52.037 0.013 0.000 0.697 372 A CB 1.322 20.316 19.000 -0.011 0.000 1.265 372 A HN 1.261 nan 8.150 nan 0.000 0.407 373 S N 0.401 116.104 115.700 0.004 0.000 2.570 373 S HA 0.969 5.435 4.470 -0.007 0.000 0.286 373 S C -0.350 174.237 174.600 -0.022 0.000 1.099 373 S CA -0.136 58.064 58.200 -0.000 0.000 0.913 373 S CB 1.904 65.112 63.200 0.012 0.000 1.085 373 S HN 2.345 nan 8.310 nan 0.000 0.480 374 A N 0.746 123.545 122.820 -0.035 0.000 2.594 374 A HA 0.788 5.104 4.320 -0.007 0.000 0.291 374 A C 0.476 178.023 177.584 -0.062 0.000 1.105 374 A CA -0.632 51.375 52.037 -0.050 0.000 0.694 374 A CB 0.870 19.831 19.000 -0.066 0.000 1.291 374 A HN 0.858 nan 8.150 nan 0.000 0.410 375 S N -0.237 115.423 115.700 -0.067 0.000 2.436 375 S HA 0.084 4.550 4.470 -0.007 0.000 0.228 375 S C 0.988 175.518 174.600 -0.116 0.000 1.014 375 S CA 1.394 59.545 58.200 -0.083 0.000 0.950 375 S CB -0.322 62.836 63.200 -0.071 0.000 0.784 375 S HN 1.227 nan 8.310 nan 0.000 0.504 376 T N -1.091 113.392 114.554 -0.117 0.000 2.888 376 T HA 0.416 4.762 4.350 -0.007 0.000 0.288 376 T C 0.944 175.532 174.700 -0.186 0.000 1.063 376 T CA -0.438 61.570 62.100 -0.153 0.000 1.010 376 T CB 1.353 70.141 68.868 -0.133 0.000 1.214 376 T HN 0.004 nan 8.240 nan 0.000 0.533 377 T N -0.178 114.208 114.554 -0.279 0.000 2.985 377 T HA -0.022 4.324 4.350 -0.007 0.000 0.266 377 T C 1.555 176.043 174.700 -0.353 0.000 1.076 377 T CA 0.656 62.519 62.100 -0.395 0.000 1.135 377 T CB -0.210 68.219 68.868 -0.733 0.000 0.890 377 T HN 0.689 nan 8.240 nan 0.000 0.480 378 E N 2.240 122.282 120.200 -0.264 0.000 2.072 378 E HA -0.106 4.240 4.350 -0.007 0.000 0.190 378 E C 2.092 178.630 176.600 -0.105 0.000 0.982 378 E CA 0.922 57.241 56.400 -0.135 0.000 0.803 378 E CB -0.348 29.320 29.700 -0.054 0.000 0.755 378 E HN 0.635 nan 8.360 nan 0.000 0.453 379 E N 0.640 120.778 120.200 -0.103 0.000 2.058 379 E HA -0.170 4.176 4.350 -0.007 0.000 0.194 379 E C 2.286 178.833 176.600 -0.089 0.000 0.997 379 E CA 1.297 57.649 56.400 -0.080 0.000 0.801 379 E CB -0.249 29.406 29.700 -0.074 0.000 0.746 379 E HN 0.186 nan 8.360 nan 0.000 0.450 380 c N 0.469 118.999 118.600 -0.118 0.000 2.413 380 c HA -0.173 4.393 4.570 -0.007 0.000 0.277 380 c C 2.643 176.659 174.090 -0.123 0.000 1.228 380 c CA 0.658 56.911 56.329 -0.126 0.000 1.731 380 c CB -0.827 41.589 42.510 -0.157 0.000 2.042 380 c HN 0.390 nan 8.230 nan 0.000 0.468 381 I N 1.270 121.764 120.570 -0.126 0.000 2.194 381 I HA -0.282 3.884 4.170 -0.007 0.000 0.246 381 I C 2.649 178.722 176.117 -0.073 0.000 1.093 381 I CA 1.801 63.041 61.300 -0.099 0.000 1.355 381 I CB -0.491 37.462 38.000 -0.077 0.000 1.046 381 I HN 0.348 nan 8.210 nan 0.000 0.413 382 A N 0.688 123.471 122.820 -0.062 0.000 1.877 382 A HA -0.173 4.143 4.320 -0.007 0.000 0.216 382 A C 2.322 179.878 177.584 -0.046 0.000 1.186 382 A CA 1.435 53.446 52.037 -0.043 0.000 0.620 382 A CB -0.920 18.060 19.000 -0.034 0.000 0.822 382 A HN 0.377 nan 8.150 nan 0.000 0.443 383 L N -0.358 120.831 121.223 -0.056 0.000 2.013 383 L HA -0.232 4.104 4.340 -0.007 0.000 0.212 383 L C 2.561 179.394 176.870 -0.061 0.000 1.073 383 L CA 1.574 56.381 54.840 -0.055 0.000 0.753 383 L CB -0.688 41.333 42.059 -0.063 0.000 0.890 383 L HN 0.281 nan 8.230 nan 0.000 0.432 384 V N -0.019 119.847 119.914 -0.079 0.000 2.392 384 V HA -0.290 3.826 4.120 -0.007 0.000 0.249 384 V C 2.339 178.398 176.094 -0.060 0.000 1.059 384 V CA 1.597 63.847 62.300 -0.083 0.000 1.051 384 V CB -0.361 31.397 31.823 -0.108 0.000 0.658 384 V HN 0.367 nan 8.190 nan 0.000 0.455 385 L N -0.744 120.449 121.223 -0.050 0.000 2.156 385 L HA -0.103 4.233 4.340 -0.007 0.000 0.208 385 L C 2.492 179.343 176.870 -0.030 0.000 1.095 385 L CA 1.377 56.195 54.840 -0.037 0.000 0.770 385 L CB -0.476 41.565 42.059 -0.030 0.000 0.914 385 L HN 0.252 nan 8.230 nan 0.000 0.439 386 K N -0.158 120.224 120.400 -0.030 0.000 2.288 386 K HA 0.027 4.343 4.320 -0.007 0.000 0.201 386 K C 1.270 177.854 176.600 -0.027 0.000 1.048 386 K CA 0.805 57.076 56.287 -0.025 0.000 0.956 386 K CB 0.044 32.529 32.500 -0.024 0.000 0.746 386 K HN 0.426 nan 8.250 nan 0.000 0.461 387 G N 1.414 110.195 108.800 -0.033 0.000 2.144 387 G HA2 -0.234 3.722 3.960 -0.007 0.000 0.218 387 G HA3 -0.234 3.722 3.960 -0.007 0.000 0.218 387 G C 0.411 175.291 174.900 -0.032 0.000 0.988 387 G CA 0.187 45.268 45.100 -0.032 0.000 0.659 387 G HN 0.372 nan 8.290 nan 0.000 0.522 388 E N -0.211 119.969 120.200 -0.034 0.000 2.385 388 E HA 0.449 4.795 4.350 -0.007 0.000 0.194 388 E C 1.271 177.848 176.600 -0.037 0.000 1.013 388 E CA 0.774 57.157 56.400 -0.029 0.000 0.866 388 E CB 0.362 30.047 29.700 -0.024 0.000 0.832 388 E HN 0.809 nan 8.360 nan 0.000 0.500 389 A N 0.263 123.050 122.820 -0.054 0.000 2.469 389 A HA 0.364 4.680 4.320 -0.007 0.000 0.299 389 A C -0.515 177.018 177.584 -0.086 0.000 1.098 389 A CA -0.682 51.311 52.037 -0.073 0.000 0.737 389 A CB 1.432 20.370 19.000 -0.104 0.000 1.312 389 A HN -0.121 nan 8.150 nan 0.000 0.414 390 D N -0.360 119.982 120.400 -0.096 0.000 2.423 390 D HA 0.485 5.120 4.640 -0.007 0.000 0.208 390 D C 0.441 176.642 176.300 -0.164 0.000 1.068 390 D CA 1.584 55.533 54.000 -0.085 0.000 0.860 390 D CB 1.166 41.960 40.800 -0.010 0.000 0.992 390 D HN 0.955 nan 8.370 nan 0.000 0.504 391 A N -0.043 122.570 122.820 -0.345 0.000 2.452 391 A HA 0.544 4.860 4.320 -0.007 0.000 0.294 391 A C -2.231 174.669 177.584 -1.140 0.000 1.010 391 A CA -0.768 50.927 52.037 -0.569 0.000 0.613 391 A CB 0.639 19.362 19.000 -0.461 0.000 1.363 391 A HN 0.033 nan 8.150 nan 0.000 0.463 392 L N -2.027 118.584 121.223 -1.020 0.000 2.866 392 L HA 0.682 5.018 4.340 -0.007 0.000 0.262 392 L C -0.802 175.885 176.870 -0.304 0.000 0.986 392 L CA -0.934 53.336 54.840 -0.950 0.000 0.925 392 L CB 0.758 42.488 42.059 -0.548 0.000 1.484 392 L HN 0.874 nan 8.230 nan 0.000 0.414 393 N N 0.648 119.349 118.700 0.001 0.000 2.470 393 N HA 0.699 5.435 4.740 -0.007 0.000 0.268 393 N C -1.287 174.298 175.510 0.125 0.000 1.136 393 N CA -0.007 53.135 53.050 0.153 0.000 0.961 393 N CB 0.495 39.004 38.487 0.037 0.000 1.067 393 N HN 0.718 nan 8.380 nan 0.000 0.468 394 L N 1.585 122.905 121.223 0.162 0.000 2.354 394 L HA 0.416 4.752 4.340 -0.007 0.000 0.264 394 L C -0.199 176.726 176.870 0.090 0.000 1.008 394 L CA -1.235 53.685 54.840 0.133 0.000 0.819 394 L CB 1.917 44.048 42.059 0.121 0.000 1.339 394 L HN 0.579 nan 8.230 nan 0.000 0.420 395 D N 0.341 120.708 120.400 -0.055 0.000 2.339 395 D HA 0.208 4.844 4.640 -0.007 0.000 0.245 395 D C 1.288 177.614 176.300 0.043 0.000 1.115 395 D CA 0.390 54.150 54.000 -0.399 0.000 0.917 395 D CB 1.823 42.459 40.800 -0.274 0.000 1.192 395 D HN 0.597 nan 8.370 nan 0.000 0.428 396 G N 2.034 110.914 108.800 0.134 0.000 2.547 396 G HA2 -0.309 3.647 3.960 -0.007 0.000 0.221 396 G HA3 -0.309 3.647 3.960 -0.007 0.000 0.221 396 G C 1.400 176.453 174.900 0.256 0.000 1.140 396 G CA 0.908 46.187 45.100 0.298 0.000 0.760 396 G HN 0.643 nan 8.290 nan 0.000 0.583 397 G N -0.004 108.878 108.800 0.137 0.000 2.442 397 G HA2 -0.109 3.847 3.960 -0.007 0.000 0.219 397 G HA3 -0.109 3.847 3.960 -0.007 0.000 0.219 397 G C 1.430 176.198 174.900 -0.220 0.000 1.141 397 G CA 0.701 45.736 45.100 -0.108 0.000 0.763 397 G HN 0.388 nan 8.290 nan 0.000 0.554 398 F N 0.299 120.285 119.950 0.060 0.000 2.776 398 F HA 0.386 4.908 4.527 -0.007 0.000 0.300 398 F C 2.279 178.099 175.800 0.033 0.000 1.116 398 F CA -0.376 57.645 58.000 0.034 0.000 1.375 398 F CB 0.179 39.180 39.000 0.002 0.000 1.109 398 F HN 0.063 nan 8.300 nan 0.000 0.585 399 I N -1.232 119.464 120.570 0.209 0.000 2.546 399 I HA -0.291 3.875 4.170 -0.007 0.000 0.255 399 I C 2.299 178.447 176.117 0.053 0.000 1.163 399 I CA 1.106 62.506 61.300 0.167 0.000 1.457 399 I CB -0.427 37.734 38.000 0.268 0.000 1.092 399 I HN 0.159 nan 8.210 nan 0.000 0.434 400 Y N 1.817 122.048 120.300 -0.115 0.000 2.133 400 Y HA -0.217 4.330 4.550 -0.006 0.000 0.287 400 Y C 2.450 178.129 175.900 -0.370 0.000 1.134 400 Y CA 1.750 59.648 58.100 -0.337 0.000 1.133 400 Y CB -0.402 37.881 38.460 -0.295 0.000 0.987 400 Y HN -0.160 nan 8.280 nan 0.000 0.502 401 V N 0.702 120.568 119.914 -0.080 0.000 2.261 401 V HA -0.334 3.781 4.120 -0.007 0.000 0.246 401 V C 2.727 178.720 176.094 -0.169 0.000 1.047 401 V CA 1.965 64.198 62.300 -0.112 0.000 1.015 401 V CB -1.781 30.114 31.823 0.119 0.000 0.642 401 V HN 0.560 nan 8.190 nan 0.000 0.446 402 A N 0.680 123.457 122.820 -0.072 0.000 1.948 402 A HA -0.173 4.143 4.320 -0.007 0.000 0.220 402 A C 2.383 179.887 177.584 -0.134 0.000 1.177 402 A CA 2.193 54.188 52.037 -0.070 0.000 0.636 402 A CB -1.259 17.733 19.000 -0.014 0.000 0.815 402 A HN 0.575 nan 8.150 nan 0.000 0.449 403 G N -0.965 107.671 108.800 -0.274 0.000 2.421 403 G HA2 -0.147 3.809 3.960 -0.007 0.000 0.217 403 G HA3 -0.147 3.809 3.960 -0.007 0.000 0.217 403 G C 1.572 176.277 174.900 -0.325 0.000 1.143 403 G CA 0.800 45.727 45.100 -0.287 0.000 0.784 403 G HN 0.496 nan 8.290 nan 0.000 0.541 404 K N -0.278 119.791 120.400 -0.551 0.000 2.366 404 K HA 0.029 4.345 4.320 -0.007 0.000 0.198 404 K C 1.426 177.930 176.600 -0.159 0.000 1.044 404 K CA 0.375 56.446 56.287 -0.360 0.000 0.973 404 K CB -0.004 32.192 32.500 -0.508 0.000 0.767 404 K HN 0.326 nan 8.250 nan 0.000 0.475 405 c N 0.318 118.838 118.600 -0.133 0.000 2.780 405 c HA 0.269 4.835 4.570 -0.007 0.000 0.287 405 c C 1.431 175.494 174.090 -0.045 0.000 1.288 405 c CA 0.053 56.339 56.329 -0.072 0.000 1.713 405 c CB -0.559 41.915 42.510 -0.061 0.000 1.955 405 c HN 0.713 nan 8.230 nan 0.000 0.613 406 G N 0.889 109.674 108.800 -0.026 0.000 2.195 406 G HA2 -0.216 3.740 3.960 -0.007 0.000 0.246 406 G HA3 -0.216 3.740 3.960 -0.007 0.000 0.246 406 G C 0.036 174.943 174.900 0.012 0.000 0.984 406 G CA -0.211 44.891 45.100 0.003 0.000 0.633 406 G HN 0.492 nan 8.290 nan 0.000 0.525 407 L N 1.020 122.242 121.223 -0.001 0.000 2.417 407 L HA 0.615 4.951 4.340 -0.007 0.000 0.268 407 L C 1.068 177.959 176.870 0.036 0.000 1.158 407 L CA -0.618 54.223 54.840 0.002 0.000 0.819 407 L CB 1.418 43.464 42.059 -0.022 0.000 1.112 407 L HN 0.325 nan 8.230 nan 0.000 0.458 408 V N 0.234 120.167 119.914 0.031 0.000 2.815 408 V HA 0.648 4.764 4.120 -0.007 0.000 0.314 408 V C -2.555 173.551 176.094 0.020 0.000 1.064 408 V CA -2.353 59.976 62.300 0.048 0.000 0.952 408 V CB 1.582 33.429 31.823 0.040 0.000 1.020 408 V HN 0.564 nan 8.190 nan 0.000 0.439 409 P HA 0.265 nan 4.420 nan 0.000 0.282 409 P C 0.360 177.628 177.300 -0.053 0.000 1.262 409 P CA 0.022 63.080 63.100 -0.069 0.000 0.773 409 P CB 1.992 33.563 31.700 -0.215 0.000 0.879 410 V N 4.374 124.273 119.914 -0.025 0.000 2.423 410 V HA 0.051 4.167 4.120 -0.007 0.000 0.233 410 V C 1.282 177.371 176.094 -0.007 0.000 1.067 410 V CA 1.134 63.433 62.300 -0.003 0.000 1.073 410 V CB -0.589 31.248 31.823 0.022 0.000 0.715 410 V HN 0.387 nan 8.190 nan 0.000 0.485 411 L N -0.719 120.518 121.223 0.024 0.000 2.303 411 L HA 0.812 5.148 4.340 -0.007 0.000 0.266 411 L C -0.407 176.505 176.870 0.069 0.000 1.011 411 L CA -0.451 54.417 54.840 0.048 0.000 0.818 411 L CB 1.775 43.871 42.059 0.062 0.000 1.326 411 L HN 0.262 nan 8.230 nan 0.000 0.435 412 A N 0.359 123.236 122.820 0.095 0.000 2.356 412 A HA 0.533 4.848 4.320 -0.007 0.000 0.323 412 A C -0.773 176.916 177.584 0.175 0.000 1.119 412 A CA -0.545 51.577 52.037 0.142 0.000 0.790 412 A CB 1.076 20.187 19.000 0.184 0.000 1.273 412 A HN 0.703 nan 8.150 nan 0.000 0.452 413 E N 1.393 121.724 120.200 0.218 0.000 2.217 413 E HA 0.079 4.425 4.350 -0.007 0.000 0.279 413 E C -0.824 175.817 176.600 0.067 0.000 1.068 413 E CA -0.165 56.313 56.400 0.130 0.000 0.882 413 E CB 0.353 30.161 29.700 0.180 0.000 1.039 413 E HN 0.477 nan 8.360 nan 0.000 0.418 414 N N 4.274 122.953 118.700 -0.035 0.000 2.457 414 N HA 0.021 4.757 4.740 -0.007 0.000 0.250 414 N C -0.323 175.120 175.510 -0.111 0.000 0.982 414 N CA -0.333 52.695 53.050 -0.036 0.000 0.941 414 N CB 1.150 39.612 38.487 -0.041 0.000 1.120 414 N HN 0.498 nan 8.380 nan 0.000 0.505 415 Q N 1.611 121.365 119.800 -0.075 0.000 2.524 415 Q HA 0.065 4.401 4.340 -0.007 0.000 0.246 415 Q C -0.385 175.546 176.000 -0.114 0.000 1.063 415 Q CA 0.103 55.839 55.803 -0.112 0.000 0.945 415 Q CB 0.820 29.509 28.738 -0.081 0.000 1.292 415 Q HN 0.261 nan 8.270 nan 0.000 0.518 416 K N 1.938 122.265 120.400 -0.123 0.000 2.256 416 K HA -0.032 4.284 4.320 -0.007 0.000 0.213 416 K C 0.311 176.867 176.600 -0.073 0.000 1.182 416 K CA 0.701 56.927 56.287 -0.102 0.000 1.224 416 K CB -0.998 31.447 32.500 -0.092 0.000 1.197 416 K HN 0.780 nan 8.250 nan 0.000 0.223 417 S N 1.605 117.267 115.700 -0.062 0.000 3.486 417 S HA -0.298 4.168 4.470 -0.007 0.000 0.632 417 S C -1.198 173.382 174.600 -0.033 0.000 2.553 417 S CA 1.177 59.350 58.200 -0.044 0.000 2.974 417 S CB -0.470 62.703 63.200 -0.045 0.000 0.320 417 S HN 0.795 nan 8.310 nan 0.000 1.613 418 Q N 0.032 119.815 119.800 -0.028 0.000 2.105 418 Q HA -0.027 4.309 4.340 -0.007 0.000 0.284 418 Q C -0.029 175.962 176.000 -0.014 0.000 0.976 418 Q CA 1.042 56.833 55.803 -0.022 0.000 0.555 418 Q CB -2.314 26.411 28.738 -0.022 0.000 0.764 418 Q HN 0.980 nan 8.270 nan 0.000 0.325 419 N N -1.075 117.617 118.700 -0.013 0.000 2.378 419 N HA 0.102 4.838 4.740 -0.007 0.000 0.317 419 N C -0.615 174.890 175.510 -0.009 0.000 0.705 419 N CA 0.136 53.181 53.050 -0.008 0.000 0.671 419 N CB 0.916 39.401 38.487 -0.004 0.000 2.307 419 N HN 0.709 nan 8.380 nan 0.000 1.211 420 S N -0.831 114.863 115.700 -0.010 0.000 2.606 420 S HA 0.211 4.677 4.470 -0.007 0.000 0.290 420 S C -0.949 173.642 174.600 -0.015 0.000 1.103 420 S CA -0.816 57.377 58.200 -0.012 0.000 0.870 420 S CB 0.967 64.162 63.200 -0.007 0.000 1.077 420 S HN 0.261 nan 8.310 nan 0.000 0.448 421 N N 1.115 119.803 118.700 -0.021 0.000 2.724 421 N HA -0.104 4.632 4.740 -0.007 0.000 0.198 421 N C 1.539 177.038 175.510 -0.019 0.000 1.301 421 N CA 0.744 53.778 53.050 -0.026 0.000 0.942 421 N CB -0.610 37.858 38.487 -0.031 0.000 1.033 421 N HN 0.816 nan 8.380 nan 0.000 0.447 422 A N 2.188 125.002 122.820 -0.009 0.000 2.816 422 A HA -0.248 4.068 4.320 -0.007 0.000 0.346 422 A C -0.564 177.025 177.584 0.008 0.000 0.763 422 A CA 1.502 53.540 52.037 0.002 0.000 1.372 422 A CB -2.142 16.864 19.000 0.010 0.000 0.674 422 A HN 0.366 nan 8.150 nan 0.000 0.477 423 P HA -0.158 nan 4.420 nan 0.000 0.215 423 P C 0.625 177.919 177.300 -0.010 0.000 1.165 423 P CA 1.868 64.998 63.100 0.050 0.000 0.840 423 P CB -0.074 31.696 31.700 0.116 0.000 0.556 424 D N -2.476 117.880 120.400 -0.072 0.000 3.105 424 D HA 0.000 4.636 4.640 -0.007 0.000 0.291 424 D C 1.287 177.531 176.300 -0.094 0.000 1.218 424 D CA 1.479 55.417 54.000 -0.104 0.000 1.029 424 D CB 0.032 40.727 40.800 -0.175 0.000 1.207 424 D HN 0.507 nan 8.370 nan 0.000 0.437 425 c N -0.917 117.609 118.600 -0.123 0.000 5.477 425 c HA 0.055 4.621 4.570 -0.007 0.000 0.287 425 c C 1.881 175.914 174.090 -0.096 0.000 1.587 425 c CA 0.578 56.856 56.329 -0.084 0.000 1.976 425 c CB -1.273 41.184 42.510 -0.089 0.000 1.619 425 c HN 0.141 nan 8.230 nan 0.000 0.446 426 V N 0.577 120.365 119.914 -0.210 0.000 2.970 426 V HA 0.004 4.120 4.120 -0.007 0.000 0.260 426 V C 1.798 177.777 176.094 -0.192 0.000 1.100 426 V CA 2.573 64.740 62.300 -0.220 0.000 1.122 426 V CB -0.962 30.620 31.823 -0.402 0.000 0.721 426 V HN 0.814 nan 8.190 nan 0.000 0.483 427 H N -1.624 117.464 119.070 0.030 0.000 2.893 427 H HA 0.294 4.845 4.556 -0.007 0.000 0.270 427 H C 1.262 176.611 175.328 0.035 0.000 1.095 427 H CA -0.533 55.536 56.048 0.034 0.000 1.186 427 H CB 0.504 30.273 29.762 0.012 0.000 1.562 427 H HN 0.217 nan 8.280 nan 0.000 0.536 428 R N 2.798 123.355 120.500 0.096 0.000 2.537 428 R HA 0.098 4.434 4.340 -0.007 0.000 0.280 428 R C -2.711 173.636 176.300 0.079 0.000 1.058 428 R CA -1.587 54.555 56.100 0.070 0.000 1.057 428 R CB 0.318 30.636 30.300 0.029 0.000 0.973 428 R HN -0.038 nan 8.270 nan 0.000 0.438 429 P HA 0.131 nan 4.420 nan 0.000 0.271 429 P C -2.448 174.894 177.300 0.070 0.000 1.226 429 P CA -1.052 62.092 63.100 0.074 0.000 0.765 429 P CB 0.545 32.278 31.700 0.054 0.000 0.835 430 P HA -0.018 nan 4.420 nan 0.000 0.265 430 P C 0.333 177.664 177.300 0.052 0.000 1.193 430 P CA 0.404 63.564 63.100 0.099 0.000 0.765 430 P CB 0.360 32.167 31.700 0.179 0.000 0.823 431 E N 2.426 122.646 120.200 0.034 0.000 2.538 431 E HA 0.309 4.655 4.350 -0.007 0.000 0.207 431 E C 0.948 177.535 176.600 -0.022 0.000 1.002 431 E CA -0.311 56.090 56.400 0.002 0.000 0.952 431 E CB -0.156 29.546 29.700 0.004 0.000 1.031 431 E HN 0.495 nan 8.360 nan 0.000 0.476 432 G N 1.899 110.694 108.800 -0.008 0.000 2.692 432 G HA2 -0.288 3.668 3.960 -0.007 0.000 0.248 432 G HA3 -0.288 3.668 3.960 -0.007 0.000 0.248 432 G C -0.601 174.305 174.900 0.011 0.000 1.340 432 G CA 0.097 45.156 45.100 -0.067 0.000 0.896 432 G HN 0.476 nan 8.290 nan 0.000 0.570 433 Y N -3.241 117.026 120.300 -0.055 0.000 2.544 433 Y HA 0.743 5.290 4.550 -0.006 0.000 0.342 433 Y C -0.266 175.580 175.900 -0.089 0.000 1.062 433 Y CA -1.877 56.183 58.100 -0.068 0.000 1.023 433 Y CB 1.111 39.531 38.460 -0.066 0.000 1.308 433 Y HN 0.625 nan 8.280 nan 0.000 0.457 434 L N 3.666 124.961 121.223 0.120 0.000 2.313 434 L HA 0.596 4.932 4.340 -0.007 0.000 0.282 434 L C 0.341 177.295 176.870 0.139 0.000 1.092 434 L CA -0.707 54.145 54.840 0.020 0.000 0.831 434 L CB 0.923 43.007 42.059 0.042 0.000 1.159 434 L HN 0.959 nan 8.230 nan 0.000 0.442 435 A N 5.001 127.869 122.820 0.080 0.000 2.362 435 A HA 0.578 4.894 4.320 -0.007 0.000 0.276 435 A C -0.133 177.538 177.584 0.145 0.000 1.153 435 A CA -0.416 51.723 52.037 0.170 0.000 0.813 435 A CB 0.732 19.805 19.000 0.121 0.000 1.081 435 A HN 0.565 nan 8.150 nan 0.000 0.507 436 V N -0.959 119.061 119.914 0.177 0.000 3.126 436 V HA 0.962 5.077 4.120 -0.007 0.000 0.314 436 V C 0.016 176.230 176.094 0.200 0.000 1.138 436 V CA -0.569 61.822 62.300 0.153 0.000 1.034 436 V CB 1.647 33.532 31.823 0.102 0.000 1.075 436 V HN 1.589 nan 8.190 nan 0.000 0.442 437 A N 1.564 124.477 122.820 0.156 0.000 2.293 437 A HA 0.803 5.118 4.320 -0.007 0.000 0.312 437 A C -0.622 176.985 177.584 0.040 0.000 1.309 437 A CA -0.537 51.568 52.037 0.113 0.000 0.839 437 A CB 0.769 19.996 19.000 0.378 0.000 1.155 437 A HN 1.157 nan 8.150 nan 0.000 0.501 438 V N 3.136 123.023 119.914 -0.045 0.000 2.532 438 V HA 0.706 4.822 4.120 -0.007 0.000 0.295 438 V C 0.281 176.391 176.094 0.026 0.000 1.041 438 V CA -0.269 62.055 62.300 0.040 0.000 0.926 438 V CB 1.258 33.133 31.823 0.087 0.000 0.992 438 V HN 1.085 nan 8.190 nan 0.000 0.457 439 V N 1.895 121.893 119.914 0.139 0.000 3.206 439 V HA 0.675 4.790 4.120 -0.007 0.000 0.305 439 V C -0.742 175.490 176.094 0.230 0.000 1.257 439 V CA -1.485 60.892 62.300 0.129 0.000 1.057 439 V CB 2.168 34.037 31.823 0.076 0.000 1.075 439 V HN 0.793 nan 8.190 nan 0.000 0.443 440 R N 1.121 121.693 120.500 0.120 0.000 2.390 440 R HA 0.378 4.714 4.340 -0.007 0.000 0.291 440 R C 1.111 177.379 176.300 -0.055 0.000 1.070 440 R CA -0.560 55.516 56.100 -0.039 0.000 1.014 440 R CB 1.034 31.260 30.300 -0.122 0.000 1.007 440 R HN 0.875 nan 8.270 nan 0.000 0.466 441 K N 1.947 122.278 120.400 -0.115 0.000 2.089 441 K HA -0.282 4.034 4.320 -0.007 0.000 0.210 441 K C 1.796 178.365 176.600 -0.052 0.000 1.048 441 K CA 2.402 58.651 56.287 -0.063 0.000 0.926 441 K CB -0.127 32.317 32.500 -0.093 0.000 0.714 441 K HN 0.628 nan 8.250 nan 0.000 0.448 442 S N 1.261 116.910 115.700 -0.084 0.000 2.427 442 S HA -0.189 4.276 4.470 -0.007 0.000 0.231 442 S C 0.128 174.710 174.600 -0.030 0.000 1.045 442 S CA 1.814 59.978 58.200 -0.060 0.000 1.154 442 S CB -0.661 62.491 63.200 -0.080 0.000 1.093 442 S HN 0.390 nan 8.310 nan 0.000 0.422 443 D N 1.685 122.072 120.400 -0.021 0.000 2.359 443 D HA 0.388 5.024 4.640 -0.007 0.000 0.273 443 D C 0.511 176.817 176.300 0.010 0.000 1.362 443 D CA 0.704 54.703 54.000 -0.001 0.000 1.010 443 D CB 0.775 41.580 40.800 0.008 0.000 1.090 443 D HN 0.464 nan 8.370 nan 0.000 0.521 444 A N 2.536 125.362 122.820 0.010 0.000 2.267 444 A HA 0.008 4.324 4.320 -0.007 0.000 0.213 444 A C 1.661 179.261 177.584 0.027 0.000 1.192 444 A CA 0.053 52.101 52.037 0.019 0.000 0.851 444 A CB 0.168 19.175 19.000 0.011 0.000 0.881 444 A HN 0.317 nan 8.150 nan 0.000 0.494 445 D N -0.400 120.014 120.400 0.023 0.000 2.084 445 D HA -0.081 4.555 4.640 -0.007 0.000 0.194 445 D C 0.566 176.889 176.300 0.039 0.000 0.990 445 D CA 0.622 54.638 54.000 0.026 0.000 0.826 445 D CB -0.094 40.718 40.800 0.020 0.000 0.971 445 D HN 0.275 nan 8.370 nan 0.000 0.453 446 L N 0.601 121.851 121.223 0.044 0.000 2.601 446 L HA 0.134 4.470 4.340 -0.007 0.000 0.277 446 L C 0.148 177.071 176.870 0.089 0.000 1.219 446 L CA 1.129 56.006 54.840 0.062 0.000 0.915 446 L CB 0.155 42.249 42.059 0.059 0.000 1.160 446 L HN -0.094 nan 8.230 nan 0.000 0.494 447 T N 4.615 119.235 114.554 0.111 0.000 2.923 447 T HA 0.128 4.474 4.350 -0.007 0.000 0.311 447 T C 0.695 175.531 174.700 0.227 0.000 1.183 447 T CA -0.535 61.662 62.100 0.161 0.000 1.020 447 T CB 0.303 69.248 68.868 0.129 0.000 1.165 447 T HN 0.678 nan 8.240 nan 0.000 0.482 448 W N 3.836 125.201 121.300 0.108 0.000 2.274 448 W HA -0.252 4.404 4.660 -0.007 0.000 0.314 448 W C 1.209 177.821 176.519 0.154 0.000 1.254 448 W CA 2.155 59.589 57.345 0.147 0.000 1.265 448 W CB -0.130 29.406 29.460 0.126 0.000 1.141 448 W HN 0.835 nan 8.180 nan 0.000 0.505 449 N N -0.376 118.476 118.700 0.254 0.000 2.609 449 N HA -0.136 4.600 4.740 -0.007 0.000 0.190 449 N C 1.297 176.842 175.510 0.059 0.000 1.157 449 N CA 0.925 54.057 53.050 0.137 0.000 0.918 449 N CB -0.139 38.444 38.487 0.159 0.000 0.978 449 N HN -0.057 nan 8.380 nan 0.000 0.448 450 S N -0.493 115.235 115.700 0.046 0.000 2.730 450 S HA 0.246 4.712 4.470 -0.007 0.000 0.244 450 S C 1.237 175.845 174.600 0.014 0.000 1.022 450 S CA -0.446 57.767 58.200 0.023 0.000 1.014 450 S CB 0.058 63.283 63.200 0.041 0.000 0.963 450 S HN 0.170 nan 8.310 nan 0.000 0.540 451 L N 1.259 122.486 121.223 0.007 0.000 2.131 451 L HA 0.042 4.378 4.340 -0.007 0.000 0.210 451 L C 1.550 178.452 176.870 0.053 0.000 1.092 451 L CA 0.602 55.512 54.840 0.118 0.000 0.759 451 L CB -0.612 41.521 42.059 0.124 0.000 0.903 451 L HN 0.315 nan 8.230 nan 0.000 0.435 452 S N 0.213 115.798 115.700 -0.192 0.000 2.885 452 S HA 0.103 4.569 4.470 -0.007 0.000 0.334 452 S C 1.248 175.633 174.600 -0.358 0.000 1.224 452 S CA 0.773 58.557 58.200 -0.694 0.000 1.080 452 S CB -0.177 62.665 63.200 -0.597 0.000 0.801 452 S HN 0.672 nan 8.310 nan 0.000 0.510 453 G N 3.582 112.174 108.800 -0.346 0.000 2.184 453 G HA2 -0.260 3.696 3.960 -0.007 0.000 0.264 453 G HA3 -0.260 3.696 3.960 -0.007 0.000 0.264 453 G C 0.123 175.043 174.900 0.033 0.000 0.975 453 G CA 0.745 45.774 45.100 -0.118 0.000 0.642 453 G HN 0.702 nan 8.290 nan 0.000 0.536 454 K N 0.265 120.745 120.400 0.134 0.000 2.109 454 K HA 0.632 4.948 4.320 -0.007 0.000 0.243 454 K C 0.621 177.376 176.600 0.258 0.000 1.006 454 K CA -0.573 55.819 56.287 0.175 0.000 0.917 454 K CB 0.595 33.187 32.500 0.153 0.000 1.081 454 K HN 0.148 nan 8.250 nan 0.000 0.468 455 K N 0.760 121.234 120.400 0.124 0.000 2.249 455 K HA 0.185 4.501 4.320 -0.007 0.000 0.280 455 K C -0.600 175.940 176.600 -0.099 0.000 1.033 455 K CA -0.331 55.993 56.287 0.063 0.000 0.946 455 K CB 1.168 33.689 32.500 0.035 0.000 1.005 455 K HN 0.631 nan 8.250 nan 0.000 0.469 456 S N 0.991 116.565 115.700 -0.209 0.000 2.536 456 S HA 0.481 4.947 4.470 -0.007 0.000 0.298 456 S C -0.587 173.831 174.600 -0.303 0.000 1.083 456 S CA -0.933 56.960 58.200 -0.511 0.000 0.995 456 S CB 1.083 63.524 63.200 -1.264 0.000 1.058 456 S HN 0.587 nan 8.310 nan 0.000 0.488 457 c N 4.242 122.608 118.600 -0.390 0.000 2.301 457 c HA 0.623 5.189 4.570 -0.007 0.000 0.323 457 c C -0.166 173.797 174.090 -0.212 0.000 1.265 457 c CA -0.606 55.606 56.329 -0.196 0.000 1.503 457 c CB -0.861 41.535 42.510 -0.190 0.000 2.195 457 c HN 0.884 nan 8.230 nan 0.000 0.477 458 H N 1.255 120.417 119.070 0.154 0.000 2.529 458 H HA 0.257 4.809 4.556 -0.007 0.000 0.348 458 H C 1.096 176.476 175.328 0.086 0.000 1.152 458 H CA -0.043 56.134 56.048 0.215 0.000 1.202 458 H CB 1.828 31.787 29.762 0.327 0.000 1.562 458 H HN 0.683 nan 8.280 nan 0.000 0.515 459 T N 0.068 114.708 114.554 0.143 0.000 2.788 459 T HA 0.092 4.438 4.350 -0.007 0.000 0.268 459 T C 1.010 175.613 174.700 -0.161 0.000 1.044 459 T CA 0.781 62.807 62.100 -0.124 0.000 1.139 459 T CB 0.086 68.776 68.868 -0.297 0.000 0.867 459 T HN 0.841 nan 8.240 nan 0.000 0.454 460 G N 0.147 108.954 108.800 0.011 0.000 2.358 460 G HA2 0.397 4.353 3.960 -0.007 0.000 0.301 460 G HA3 0.397 4.353 3.960 -0.007 0.000 0.301 460 G C -0.913 173.904 174.900 -0.139 0.000 1.539 460 G CA -0.564 44.537 45.100 0.001 0.000 0.893 460 G HN 0.954 nan 8.290 nan 0.000 0.636 461 V N -0.051 119.620 119.914 -0.405 0.000 2.614 461 V HA 0.756 4.871 4.120 -0.007 0.000 0.291 461 V C 1.355 177.150 176.094 -0.498 0.000 1.049 461 V CA 1.070 62.794 62.300 -0.960 0.000 1.038 461 V CB 0.836 31.878 31.823 -1.302 0.000 0.980 461 V HN 2.958 nan 8.190 nan 0.000 0.481 462 G N 3.941 112.415 108.800 -0.542 0.000 2.254 462 G HA2 -0.199 3.756 3.960 -0.007 0.000 0.225 462 G HA3 -0.199 3.756 3.960 -0.007 0.000 0.225 462 G C 0.393 175.003 174.900 -0.483 0.000 1.003 462 G CA 0.131 44.917 45.100 -0.522 0.000 0.622 462 G HN 0.901 nan 8.290 nan 0.000 0.507 463 R N 0.936 121.328 120.500 -0.181 0.000 2.490 463 R HA 0.565 4.901 4.340 -0.007 0.000 0.278 463 R C 1.612 177.966 176.300 0.090 0.000 1.069 463 R CA 0.172 56.250 56.100 -0.036 0.000 1.080 463 R CB 0.654 30.969 30.300 0.024 0.000 1.030 463 R HN 0.193 nan 8.270 nan 0.000 0.491 464 T N 1.667 116.310 114.554 0.148 0.000 2.520 464 T HA -0.255 4.091 4.350 -0.007 0.000 0.258 464 T C 1.975 176.784 174.700 0.181 0.000 1.125 464 T CA 1.660 63.878 62.100 0.196 0.000 1.206 464 T CB -0.415 68.542 68.868 0.149 0.000 0.864 464 T HN 0.748 nan 8.240 nan 0.000 0.400 465 A N 1.930 124.925 122.820 0.292 0.000 1.927 465 A HA 0.068 4.384 4.320 -0.007 0.000 0.220 465 A C 2.044 179.796 177.584 0.280 0.000 1.185 465 A CA 2.085 54.324 52.037 0.336 0.000 0.639 465 A CB -1.266 18.063 19.000 0.548 0.000 0.820 465 A HN 0.654 nan 8.150 nan 0.000 0.451 466 A N -2.432 120.539 122.820 0.251 0.000 3.474 466 A HA 0.346 4.662 4.320 -0.007 0.000 0.159 466 A C 1.395 179.129 177.584 0.249 0.000 1.939 466 A CA 0.144 52.367 52.037 0.311 0.000 1.265 466 A CB -1.338 17.844 19.000 0.303 0.000 1.818 466 A HN 0.678 nan 8.150 nan 0.000 0.767 467 W N 0.098 121.394 121.300 -0.007 0.000 2.287 467 W HA -0.413 4.242 4.660 -0.008 0.000 0.334 467 W C 1.945 178.353 176.519 -0.186 0.000 1.374 467 W CA 2.943 60.176 57.345 -0.187 0.000 1.207 467 W CB -1.048 28.277 29.460 -0.225 0.000 0.983 467 W HN 0.719 nan 8.180 nan 0.000 0.513 468 N N -0.157 118.654 118.700 0.184 0.000 2.165 468 N HA -0.283 4.453 4.740 -0.007 0.000 0.200 468 N C 1.382 176.915 175.510 0.038 0.000 0.991 468 N CA 3.128 56.231 53.050 0.089 0.000 0.904 468 N CB -1.080 37.523 38.487 0.193 0.000 1.068 468 N HN 0.218 nan 8.380 nan 0.000 0.530 469 I N 0.024 120.623 120.570 0.047 0.000 2.333 469 I HA -0.087 4.078 4.170 -0.007 0.000 0.246 469 I C -0.878 175.212 176.117 -0.045 0.000 1.106 469 I CA 1.081 62.386 61.300 0.008 0.000 1.411 469 I CB -2.072 35.922 38.000 -0.010 0.000 1.082 469 I HN 0.169 nan 8.210 nan 0.000 0.420 470 P HA -0.073 nan 4.420 nan 0.000 0.215 470 P C 1.874 179.037 177.300 -0.228 0.000 1.157 470 P CA 1.248 64.252 63.100 -0.160 0.000 0.856 470 P CB -0.076 31.193 31.700 -0.719 0.000 0.786 471 M N -0.303 119.009 119.600 -0.480 0.000 2.279 471 M HA -0.016 4.460 4.480 -0.007 0.000 0.264 471 M C 2.299 178.453 176.300 -0.243 0.000 1.062 471 M CA 1.503 56.411 55.300 -0.654 0.000 1.099 471 M CB -2.292 29.435 32.600 -1.455 0.000 1.394 471 M HN -0.010 nan 8.290 nan 0.000 0.426 472 G N 0.126 108.854 108.800 -0.120 0.000 2.394 472 G HA2 -0.104 3.852 3.960 -0.007 0.000 0.214 472 G HA3 -0.104 3.852 3.960 -0.007 0.000 0.214 472 G C 1.652 176.606 174.900 0.089 0.000 1.176 472 G CA 0.268 45.402 45.100 0.057 0.000 0.786 472 G HN 0.437 nan 8.290 nan 0.000 0.533 473 L N -0.104 121.149 121.223 0.051 0.000 2.217 473 L HA 0.143 4.479 4.340 -0.007 0.000 0.211 473 L C 2.731 179.655 176.870 0.091 0.000 1.107 473 L CA 0.209 55.098 54.840 0.081 0.000 0.783 473 L CB -0.228 41.896 42.059 0.108 0.000 0.919 473 L HN 0.158 nan 8.230 nan 0.000 0.442 474 L N -1.481 119.754 121.223 0.021 0.000 2.131 474 L HA -0.149 4.187 4.340 -0.007 0.000 0.206 474 L C 2.488 179.338 176.870 -0.034 0.000 1.087 474 L CA 0.685 55.438 54.840 -0.144 0.000 0.767 474 L CB -0.444 41.306 42.059 -0.515 0.000 0.917 474 L HN 0.180 nan 8.230 nan 0.000 0.441 475 F N 1.671 121.589 119.950 -0.053 0.000 2.202 475 F HA -0.246 4.276 4.527 -0.008 0.000 0.301 475 F C 2.183 177.979 175.800 -0.007 0.000 1.082 475 F CA 1.684 59.695 58.000 0.018 0.000 1.313 475 F CB -0.525 38.549 39.000 0.124 0.000 1.024 475 F HN 0.136 nan 8.300 nan 0.000 0.495 476 N N 0.075 118.664 118.700 -0.185 0.000 2.188 476 N HA -0.175 4.561 4.740 -0.007 0.000 0.184 476 N C 1.711 177.125 175.510 -0.159 0.000 1.018 476 N CA 1.629 54.528 53.050 -0.253 0.000 0.858 476 N CB -0.200 38.223 38.487 -0.106 0.000 0.989 476 N HN 0.512 nan 8.380 nan 0.000 0.426 477 Q N -1.577 118.182 119.800 -0.068 0.000 2.269 477 Q HA 0.027 4.363 4.340 -0.007 0.000 0.201 477 Q C 1.344 177.342 176.000 -0.004 0.000 0.946 477 Q CA 1.454 57.247 55.803 -0.016 0.000 0.877 477 Q CB 0.281 29.042 28.738 0.039 0.000 0.963 477 Q HN 0.546 nan 8.270 nan 0.000 0.472 478 T N -4.227 110.326 114.554 -0.001 0.000 3.010 478 T HA 0.229 4.574 4.350 -0.007 0.000 0.257 478 T C 1.388 176.107 174.700 0.031 0.000 1.020 478 T CA 0.472 62.607 62.100 0.058 0.000 0.938 478 T CB 0.559 69.525 68.868 0.163 0.000 1.049 478 T HN 0.330 nan 8.240 nan 0.000 0.522 479 G N 1.124 109.886 108.800 -0.064 0.000 2.269 479 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.277 479 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.277 479 G C 0.102 175.093 174.900 0.152 0.000 1.008 479 G CA 0.639 45.683 45.100 -0.092 0.000 0.774 479 G HN 0.912 nan 8.290 nan 0.000 0.511 480 S N -1.819 114.020 115.700 0.230 0.000 2.454 480 S HA 0.462 4.927 4.470 -0.007 0.000 0.306 480 S C 1.208 175.801 174.600 -0.012 0.000 1.100 480 S CA -0.083 58.197 58.200 0.134 0.000 1.087 480 S CB 1.142 64.397 63.200 0.092 0.000 1.019 480 S HN 0.410 nan 8.310 nan 0.000 0.480 481 c N 3.856 122.337 118.600 -0.200 0.000 2.618 481 c HA 0.254 4.819 4.570 -0.007 0.000 0.264 481 c C 1.146 174.910 174.090 -0.543 0.000 1.334 481 c CA -0.048 55.917 56.329 -0.606 0.000 1.731 481 c CB -1.258 40.989 42.510 -0.437 0.000 1.852 481 c HN 0.724 nan 8.230 nan 0.000 0.566 482 K N 1.285 121.547 120.400 -0.230 0.000 2.083 482 K HA 0.083 4.399 4.320 -0.007 0.000 0.246 482 K C 0.255 176.872 176.600 0.028 0.000 1.160 482 K CA -0.215 56.023 56.287 -0.083 0.000 1.060 482 K CB -0.123 32.373 32.500 -0.007 0.000 1.417 482 K HN 0.296 nan 8.250 nan 0.000 0.329 483 F N 1.183 121.138 119.950 0.008 0.000 2.365 483 F HA -0.160 4.363 4.527 -0.008 0.000 0.300 483 F C 1.991 177.843 175.800 0.087 0.000 1.090 483 F CA 1.022 59.017 58.000 -0.010 0.000 1.408 483 F CB -0.161 38.813 39.000 -0.044 0.000 1.060 483 F HN 0.510 nan 8.300 nan 0.000 0.534 484 D N -0.367 120.210 120.400 0.295 0.000 2.336 484 D HA -0.078 4.558 4.640 -0.007 0.000 0.229 484 D C 1.115 177.533 176.300 0.197 0.000 1.061 484 D CA 0.492 54.643 54.000 0.252 0.000 0.875 484 D CB -0.144 40.780 40.800 0.207 0.000 0.904 484 D HN 0.299 nan 8.370 nan 0.000 0.525 485 K N -1.020 119.486 120.400 0.177 0.000 2.412 485 K HA 0.104 4.420 4.320 -0.007 0.000 0.202 485 K C 1.185 177.837 176.600 0.087 0.000 1.102 485 K CA -0.396 55.960 56.287 0.115 0.000 1.027 485 K CB 0.328 32.869 32.500 0.069 0.000 0.931 485 K HN -0.034 nan 8.250 nan 0.000 0.557 486 F N 1.546 121.480 119.950 -0.026 0.000 2.039 486 F HA -0.019 4.504 4.527 -0.006 0.000 0.294 486 F C 0.482 176.165 175.800 -0.194 0.000 1.130 486 F CA 1.178 59.064 58.000 -0.190 0.000 1.189 486 F CB 0.102 38.874 39.000 -0.380 0.000 0.983 486 F HN -0.235 nan 8.300 nan 0.000 0.471 487 F N 0.700 120.830 119.950 0.300 0.000 2.443 487 F HA 0.148 4.671 4.527 -0.007 0.000 0.353 487 F C 1.713 177.576 175.800 0.106 0.000 1.101 487 F CA 0.274 58.391 58.000 0.194 0.000 1.226 487 F CB 0.694 39.859 39.000 0.275 0.000 1.140 487 F HN -0.011 nan 8.300 nan 0.000 0.557 488 S N 2.362 118.201 115.700 0.231 0.000 2.359 488 S HA -0.153 4.313 4.470 -0.007 0.000 0.223 488 S C 0.477 175.172 174.600 0.158 0.000 1.039 488 S CA 1.390 59.672 58.200 0.136 0.000 1.042 488 S CB -0.096 63.160 63.200 0.093 0.000 0.915 488 S HN 0.747 nan 8.310 nan 0.000 0.439 489 Q N -0.835 119.075 119.800 0.184 0.000 2.462 489 Q HA 0.690 5.026 4.340 -0.007 0.000 0.285 489 Q C -1.643 174.470 176.000 0.187 0.000 1.035 489 Q CA -0.731 55.170 55.803 0.164 0.000 0.799 489 Q CB 2.538 31.343 28.738 0.111 0.000 1.452 489 Q HN 0.393 nan 8.270 nan 0.000 0.404 490 S N -0.100 115.715 115.700 0.192 0.000 2.615 490 S HA 0.508 4.974 4.470 -0.007 0.000 0.269 490 S C -1.781 172.945 174.600 0.210 0.000 1.161 490 S CA -0.633 57.691 58.200 0.207 0.000 0.817 490 S CB 1.644 65.043 63.200 0.333 0.000 1.131 490 S HN 0.716 nan 8.310 nan 0.000 0.467 491 c N 1.927 120.670 118.600 0.238 0.000 2.346 491 c HA 0.874 5.440 4.570 -0.007 0.000 0.326 491 c C -0.459 173.804 174.090 0.289 0.000 1.224 491 c CA -0.081 56.380 56.329 0.221 0.000 1.408 491 c CB -0.710 41.935 42.510 0.225 0.000 2.089 491 c HN 0.997 nan 8.230 nan 0.000 0.456 492 A N 7.569 130.524 122.820 0.225 0.000 2.855 492 A HA 0.646 4.962 4.320 -0.007 0.000 0.313 492 A C -2.882 174.732 177.584 0.050 0.000 1.173 492 A CA -0.945 51.195 52.037 0.172 0.000 0.753 492 A CB 0.335 19.405 19.000 0.118 0.000 1.200 492 A HN 0.688 nan 8.150 nan 0.000 0.442 493 P HA 0.230 nan 4.420 nan 0.000 0.261 493 P C 1.256 178.574 177.300 0.030 0.000 1.165 493 P CA 2.397 65.567 63.100 0.116 0.000 0.759 493 P CB 0.701 32.590 31.700 0.315 0.000 0.772 494 G N 1.331 110.119 108.800 -0.020 0.000 2.278 494 G HA2 -0.098 3.858 3.960 -0.007 0.000 0.210 494 G HA3 -0.098 3.858 3.960 -0.007 0.000 0.210 494 G C 0.481 175.322 174.900 -0.099 0.000 1.000 494 G CA 0.025 45.087 45.100 -0.063 0.000 0.635 494 G HN 0.820 nan 8.290 nan 0.000 0.495 495 A N 0.201 122.956 122.820 -0.110 0.000 2.292 495 A HA 0.550 4.866 4.320 -0.007 0.000 0.265 495 A C 0.306 177.876 177.584 -0.024 0.000 1.133 495 A CA 0.726 52.715 52.037 -0.081 0.000 0.807 495 A CB -0.009 18.962 19.000 -0.049 0.000 1.102 495 A HN 0.570 nan 8.150 nan 0.000 0.502 496 D N 0.270 120.672 120.400 0.004 0.000 2.363 496 D HA 0.176 4.812 4.640 -0.007 0.000 0.263 496 D C -1.186 175.126 176.300 0.019 0.000 1.258 496 D CA -1.215 52.794 54.000 0.014 0.000 0.907 496 D CB 0.665 41.483 40.800 0.030 0.000 1.107 496 D HN 0.174 nan 8.370 nan 0.000 0.495 497 P HA -0.220 nan 4.420 nan 0.000 0.221 497 P C 0.438 177.748 177.300 0.017 0.000 1.141 497 P CA 1.252 64.358 63.100 0.009 0.000 0.794 497 P CB 0.275 31.974 31.700 -0.001 0.000 0.764 498 Q N -1.181 118.633 119.800 0.022 0.000 2.282 498 Q HA 0.184 4.520 4.340 -0.007 0.000 0.206 498 Q C 0.517 176.542 176.000 0.040 0.000 0.878 498 Q CA -0.088 55.731 55.803 0.027 0.000 0.944 498 Q CB 0.494 29.245 28.738 0.022 0.000 1.100 498 Q HN 0.110 nan 8.270 nan 0.000 0.509 499 S N -0.381 115.351 115.700 0.052 0.000 2.672 499 S HA 0.120 4.586 4.470 -0.007 0.000 0.276 499 S C 1.059 175.714 174.600 0.091 0.000 1.207 499 S CA -0.485 57.760 58.200 0.075 0.000 1.002 499 S CB 1.414 64.668 63.200 0.091 0.000 0.998 499 S HN 0.317 nan 8.310 nan 0.000 0.542 500 S N 1.482 117.248 115.700 0.110 0.000 2.440 500 S HA -0.075 4.391 4.470 -0.007 0.000 0.238 500 S C 1.573 176.270 174.600 0.161 0.000 1.010 500 S CA 0.819 59.094 58.200 0.126 0.000 0.972 500 S CB -0.508 62.775 63.200 0.137 0.000 0.774 500 S HN 0.600 nan 8.310 nan 0.000 0.501 501 L N 0.110 121.443 121.223 0.183 0.000 2.353 501 L HA -0.037 4.298 4.340 -0.007 0.000 0.220 501 L C 1.590 178.559 176.870 0.164 0.000 1.133 501 L CA 0.489 55.462 54.840 0.221 0.000 0.798 501 L CB -0.454 41.751 42.059 0.243 0.000 0.922 501 L HN 0.440 nan 8.230 nan 0.000 0.445 502 c N -1.191 117.477 118.600 0.113 0.000 3.038 502 c HA 0.335 4.901 4.570 -0.007 0.000 0.279 502 c C 2.637 176.766 174.090 0.064 0.000 1.276 502 c CA -0.131 56.244 56.329 0.078 0.000 1.697 502 c CB -0.523 42.015 42.510 0.046 0.000 2.032 502 c HN 0.539 nan 8.230 nan 0.000 0.636 503 A N 1.319 124.189 122.820 0.082 0.000 1.865 503 A HA -0.131 4.185 4.320 -0.007 0.000 0.217 503 A C 1.882 179.494 177.584 0.047 0.000 1.191 503 A CA 1.594 53.669 52.037 0.063 0.000 0.623 503 A CB -0.487 18.560 19.000 0.079 0.000 0.826 503 A HN 0.599 nan 8.150 nan 0.000 0.444 504 L N -0.345 120.923 121.223 0.076 0.000 2.478 504 L HA -0.011 4.325 4.340 -0.007 0.000 0.223 504 L C 0.634 177.506 176.870 0.005 0.000 1.140 504 L CA -0.605 54.282 54.840 0.078 0.000 0.842 504 L CB -0.839 41.307 42.059 0.146 0.000 0.953 504 L HN 0.300 nan 8.230 nan 0.000 0.452 505 c N 0.120 118.715 118.600 -0.007 0.000 2.679 505 c HA 0.053 4.619 4.570 -0.007 0.000 0.417 505 c C 1.901 175.826 174.090 -0.275 0.000 1.302 505 c CA -0.365 55.901 56.329 -0.106 0.000 1.973 505 c CB 1.164 43.667 42.510 -0.012 0.000 2.715 505 c HN 0.207 nan 8.230 nan 0.000 0.628 506 V N 2.004 121.653 119.914 -0.441 0.000 3.556 506 V HA 0.342 4.458 4.120 -0.007 0.000 0.287 506 V C 1.228 177.195 176.094 -0.211 0.000 1.422 506 V CA 1.073 63.128 62.300 -0.409 0.000 1.038 506 V CB -0.857 30.522 31.823 -0.740 0.000 0.850 506 V HN 1.440 nan 8.190 nan 0.000 0.437 507 G N 1.977 110.694 108.800 -0.138 0.000 2.697 507 G HA2 -0.282 3.674 3.960 -0.007 0.000 0.240 507 G HA3 -0.282 3.674 3.960 -0.007 0.000 0.240 507 G C -0.112 174.753 174.900 -0.058 0.000 1.346 507 G CA 0.234 45.288 45.100 -0.078 0.000 0.887 507 G HN 0.631 nan 8.290 nan 0.000 0.569 508 N N -0.070 118.609 118.700 -0.036 0.000 2.285 508 N HA 0.174 4.910 4.740 -0.007 0.000 0.278 508 N C 1.543 177.042 175.510 -0.018 0.000 1.289 508 N CA -0.055 52.985 53.050 -0.016 0.000 0.934 508 N CB 0.198 38.683 38.487 -0.003 0.000 1.048 508 N HN 0.533 nan 8.380 nan 0.000 0.499 509 N N 0.180 118.881 118.700 0.001 0.000 2.120 509 N HA -0.128 4.608 4.740 -0.007 0.000 0.188 509 N C 0.130 175.639 175.510 -0.001 0.000 1.024 509 N CA 1.054 54.108 53.050 0.008 0.000 0.852 509 N CB -0.138 38.363 38.487 0.023 0.000 1.003 509 N HN 0.549 nan 8.380 nan 0.000 0.424 510 E N 1.388 121.586 120.200 -0.004 0.000 2.304 510 E HA 0.107 4.453 4.350 -0.007 0.000 0.212 510 E C -0.490 176.100 176.600 -0.016 0.000 1.185 510 E CA -0.241 56.154 56.400 -0.007 0.000 1.326 510 E CB -0.345 29.353 29.700 -0.003 0.000 1.283 510 E HN 0.194 nan 8.360 nan 0.000 0.440 511 N N 2.066 120.750 118.700 -0.027 0.000 2.701 511 N HA -0.183 4.553 4.740 -0.007 0.000 0.250 511 N C -0.366 175.122 175.510 -0.037 0.000 1.046 511 N CA 0.863 53.889 53.050 -0.041 0.000 0.733 511 N CB -0.297 38.165 38.487 -0.042 0.000 0.973 511 N HN 0.339 nan 8.380 nan 0.000 0.541 512 E N 0.538 120.719 120.200 -0.031 0.000 2.232 512 E HA 0.287 4.633 4.350 -0.007 0.000 0.265 512 E C 0.430 177.009 176.600 -0.035 0.000 1.001 512 E CA -0.631 55.752 56.400 -0.028 0.000 0.870 512 E CB 0.504 30.191 29.700 -0.021 0.000 1.175 512 E HN 0.212 nan 8.360 nan 0.000 0.407 513 N N 1.071 119.751 118.700 -0.034 0.000 2.688 513 N HA -0.237 4.499 4.740 -0.007 0.000 0.258 513 N C -0.530 174.953 175.510 -0.045 0.000 1.016 513 N CA 0.584 53.610 53.050 -0.040 0.000 0.747 513 N CB -0.688 37.773 38.487 -0.044 0.000 0.895 513 N HN 0.242 nan 8.380 nan 0.000 0.543 514 K N 0.343 120.717 120.400 -0.043 0.000 2.368 514 K HA 0.188 4.503 4.320 -0.007 0.000 0.282 514 K C 0.814 177.395 176.600 -0.032 0.000 1.035 514 K CA 0.183 56.442 56.287 -0.047 0.000 0.973 514 K CB 0.582 33.055 32.500 -0.045 0.000 0.957 514 K HN 0.507 nan 8.250 nan 0.000 0.474 515 c N 2.953 121.540 118.600 -0.021 0.000 4.784 515 c HA -0.207 4.359 4.570 -0.007 0.000 0.261 515 c C 0.543 174.626 174.090 -0.012 0.000 1.492 515 c CA 0.586 56.917 56.329 0.003 0.000 1.622 515 c CB -2.321 40.191 42.510 0.005 0.000 1.855 515 c HN 1.036 nan 8.230 nan 0.000 0.662 516 M N 2.974 122.547 119.600 -0.045 0.000 2.251 516 M HA 0.217 4.693 4.480 -0.007 0.000 0.343 516 M C -1.533 174.682 176.300 -0.141 0.000 1.245 516 M CA -0.140 55.108 55.300 -0.086 0.000 1.061 516 M CB 0.521 33.060 32.600 -0.102 0.000 1.723 516 M HN 0.236 nan 8.290 nan 0.000 0.449 517 P HA 0.196 nan 4.420 nan 0.000 0.219 517 P C -1.965 174.921 177.300 -0.689 0.000 1.832 517 P CA -0.088 62.865 63.100 -0.245 0.000 1.014 517 P CB -0.760 30.917 31.700 -0.039 0.000 1.939 518 N N -1.046 116.995 118.700 -1.097 0.000 3.227 518 N HA 0.020 4.756 4.740 -0.007 0.000 0.241 518 N C 0.770 175.836 175.510 -0.741 0.000 1.480 518 N CA -0.468 51.962 53.050 -1.033 0.000 0.886 518 N CB -0.224 38.013 38.487 -0.416 0.000 1.406 518 N HN -0.182 nan 8.380 nan 0.000 0.514 519 S N -0.916 114.607 115.700 -0.295 0.000 2.407 519 S HA -0.294 4.172 4.470 -0.007 0.000 0.235 519 S C 1.354 175.949 174.600 -0.008 0.000 1.036 519 S CA 1.858 60.050 58.200 -0.012 0.000 1.013 519 S CB -0.602 62.634 63.200 0.059 0.000 0.820 519 S HN 0.659 nan 8.310 nan 0.000 0.476 520 E N 1.722 121.882 120.200 -0.067 0.000 2.209 520 E HA -0.073 4.273 4.350 -0.007 0.000 0.196 520 E C 0.728 177.314 176.600 -0.024 0.000 0.993 520 E CA 1.165 57.542 56.400 -0.039 0.000 0.819 520 E CB -0.222 29.441 29.700 -0.061 0.000 0.745 520 E HN 0.805 nan 8.360 nan 0.000 0.477 521 E N -0.216 119.965 120.200 -0.032 0.000 2.105 521 E HA 0.101 4.447 4.350 -0.007 0.000 0.285 521 E C 0.266 176.927 176.600 0.102 0.000 1.055 521 E CA 0.010 56.420 56.400 0.017 0.000 0.843 521 E CB 0.419 30.137 29.700 0.029 0.000 1.067 521 E HN 0.049 nan 8.360 nan 0.000 0.398 522 R N 3.151 123.695 120.500 0.072 0.000 2.200 522 R HA -0.142 4.194 4.340 -0.007 0.000 0.234 522 R C 0.326 176.749 176.300 0.204 0.000 1.127 522 R CA 1.042 57.211 56.100 0.115 0.000 0.989 522 R CB -0.078 30.268 30.300 0.077 0.000 0.869 522 R HN 0.557 nan 8.270 nan 0.000 0.459 523 Y N -1.120 119.172 120.300 -0.013 0.000 2.625 523 Y HA 0.115 4.661 4.550 -0.007 0.000 0.285 523 Y C -0.220 175.705 175.900 0.041 0.000 1.168 523 Y CA -1.406 56.669 58.100 -0.042 0.000 1.250 523 Y CB -0.546 37.885 38.460 -0.049 0.000 1.130 523 Y HN -0.019 nan 8.280 nan 0.000 0.526 524 Y N 0.453 120.812 120.300 0.099 0.000 2.307 524 Y HA 0.542 5.088 4.550 -0.007 0.000 0.324 524 Y C 0.876 176.807 175.900 0.051 0.000 1.238 524 Y CA 0.314 58.452 58.100 0.063 0.000 1.280 524 Y CB 0.660 39.146 38.460 0.043 0.000 1.248 524 Y HN 0.333 nan 8.280 nan 0.000 0.508 525 G N 3.230 111.557 108.800 -0.789 0.000 2.828 525 G HA2 -0.337 3.619 3.960 -0.007 0.000 0.463 525 G HA3 -0.337 3.619 3.960 -0.007 0.000 0.463 525 G C -0.181 174.576 174.900 -0.238 0.000 1.394 525 G CA 0.088 44.827 45.100 -0.602 0.000 0.862 525 G HN 0.783 nan 8.290 nan 0.000 0.540 526 Y N 0.312 120.558 120.300 -0.090 0.000 2.081 526 Y HA -0.157 4.389 4.550 -0.007 0.000 0.280 526 Y C 3.471 179.372 175.900 0.001 0.000 1.163 526 Y CA 2.766 60.842 58.100 -0.039 0.000 1.135 526 Y CB -1.038 37.382 38.460 -0.066 0.000 0.970 526 Y HN 0.626 nan 8.280 nan 0.000 0.498 527 T N -0.694 113.985 114.554 0.209 0.000 2.708 527 T HA -0.156 4.190 4.350 -0.007 0.000 0.266 527 T C 2.257 177.005 174.700 0.080 0.000 1.037 527 T CA 1.442 63.657 62.100 0.191 0.000 1.146 527 T CB -1.018 67.976 68.868 0.211 0.000 0.865 527 T HN 0.590 nan 8.240 nan 0.000 0.435 528 G N 1.089 109.905 108.800 0.027 0.000 2.418 528 G HA2 -0.024 3.932 3.960 -0.007 0.000 0.217 528 G HA3 -0.024 3.932 3.960 -0.007 0.000 0.217 528 G C 1.833 176.660 174.900 -0.123 0.000 1.158 528 G CA 0.913 45.987 45.100 -0.043 0.000 0.771 528 G HN 0.576 nan 8.290 nan 0.000 0.545 529 A N 0.627 123.415 122.820 -0.053 0.000 1.858 529 A HA 0.012 4.328 4.320 -0.007 0.000 0.216 529 A C 2.192 179.701 177.584 -0.125 0.000 1.190 529 A CA 1.706 53.703 52.037 -0.066 0.000 0.617 529 A CB -0.741 18.263 19.000 0.007 0.000 0.827 529 A HN 0.384 nan 8.150 nan 0.000 0.443 530 F N 0.735 120.574 119.950 -0.186 0.000 2.120 530 F HA -0.223 4.300 4.527 -0.007 0.000 0.300 530 F C 2.374 177.988 175.800 -0.310 0.000 1.095 530 F CA 2.157 60.026 58.000 -0.219 0.000 1.249 530 F CB -0.315 38.604 39.000 -0.135 0.000 0.995 530 F HN 0.250 nan 8.300 nan 0.000 0.480 531 R N -0.392 119.797 120.500 -0.518 0.000 2.096 531 R HA -0.215 4.121 4.340 -0.007 0.000 0.235 531 R C 2.590 178.333 176.300 -0.928 0.000 1.127 531 R CA 1.594 57.126 56.100 -0.945 0.000 0.968 531 R CB -1.215 28.268 30.300 -1.362 0.000 0.861 531 R HN 0.534 nan 8.270 nan 0.000 0.440 532 c N 0.713 118.714 118.600 -0.998 0.000 2.409 532 c HA -0.081 4.485 4.570 -0.007 0.000 0.284 532 c C 2.373 176.117 174.090 -0.576 0.000 1.354 532 c CA 0.651 56.298 56.329 -1.136 0.000 1.787 532 c CB -1.107 41.003 42.510 -0.667 0.000 1.900 532 c HN 0.635 nan 8.230 nan 0.000 0.520 533 L N 1.835 122.754 121.223 -0.507 0.000 2.084 533 L HA 0.291 4.627 4.340 -0.007 0.000 0.202 533 L C 2.710 179.417 176.870 -0.273 0.000 1.074 533 L CA 2.372 56.999 54.840 -0.355 0.000 0.757 533 L CB -1.258 40.552 42.059 -0.416 0.000 0.918 533 L HN 0.249 nan 8.230 nan 0.000 0.444 534 A N -0.576 122.005 122.820 -0.398 0.000 1.908 534 A HA -0.214 4.102 4.320 -0.007 0.000 0.218 534 A C 1.965 179.520 177.584 -0.048 0.000 1.181 534 A CA 1.860 53.828 52.037 -0.115 0.000 0.627 534 A CB -0.719 18.258 19.000 -0.037 0.000 0.818 534 A HN 0.644 nan 8.150 nan 0.000 0.445 535 E N -0.383 119.726 120.200 -0.152 0.000 2.463 535 E HA 0.031 4.377 4.350 -0.007 0.000 0.191 535 E C -0.385 176.194 176.600 -0.036 0.000 1.083 535 E CA 0.090 56.454 56.400 -0.060 0.000 0.872 535 E CB -0.152 29.504 29.700 -0.074 0.000 0.966 535 E HN 0.548 nan 8.360 nan 0.000 0.491 536 K N -0.988 119.373 120.400 -0.064 0.000 3.016 536 K HA -0.271 4.044 4.320 -0.007 0.000 0.262 536 K C 0.877 177.471 176.600 -0.011 0.000 1.043 536 K CA 0.325 56.592 56.287 -0.034 0.000 0.761 536 K CB -1.307 31.190 32.500 -0.005 0.000 1.230 536 K HN 0.263 nan 8.250 nan 0.000 0.485 537 A N 0.164 122.975 122.820 -0.015 0.000 2.072 537 A HA 0.222 4.537 4.320 -0.007 0.000 0.216 537 A C 1.073 178.681 177.584 0.039 0.000 1.156 537 A CA 1.320 53.405 52.037 0.080 0.000 0.701 537 A CB 0.319 19.495 19.000 0.294 0.000 0.816 537 A HN 0.457 nan 8.150 nan 0.000 0.458 538 G N -1.890 106.886 108.800 -0.038 0.000 2.630 538 G HA2 0.478 4.434 3.960 -0.007 0.000 0.296 538 G HA3 0.478 4.434 3.960 -0.007 0.000 0.296 538 G C -0.756 174.100 174.900 -0.073 0.000 1.285 538 G CA -0.163 44.901 45.100 -0.059 0.000 0.958 538 G HN -0.045 nan 8.290 nan 0.000 0.479 539 D N -1.360 118.996 120.400 -0.074 0.000 2.379 539 D HA 0.162 4.798 4.640 -0.007 0.000 0.218 539 D C 0.547 176.793 176.300 -0.090 0.000 1.006 539 D CA 0.458 54.427 54.000 -0.052 0.000 0.893 539 D CB 1.220 42.015 40.800 -0.008 0.000 1.019 539 D HN 0.231 nan 8.370 nan 0.000 0.503 540 V N -0.060 119.740 119.914 -0.191 0.000 2.789 540 V HA 0.785 4.901 4.120 -0.007 0.000 0.311 540 V C -1.685 174.100 176.094 -0.514 0.000 1.073 540 V CA -0.884 61.229 62.300 -0.312 0.000 0.921 540 V CB 1.817 33.426 31.823 -0.356 0.000 1.009 540 V HN 0.068 nan 8.190 nan 0.000 0.426 541 A N 5.593 128.106 122.820 -0.512 0.000 2.356 541 A HA 0.868 5.184 4.320 -0.007 0.000 0.310 541 A C -1.357 175.917 177.584 -0.516 0.000 1.075 541 A CA -0.411 51.350 52.037 -0.461 0.000 0.746 541 A CB 1.068 19.949 19.000 -0.198 0.000 1.221 541 A HN 0.723 nan 8.150 nan 0.000 0.443 542 F N 2.523 122.450 119.950 -0.039 0.000 2.361 542 F HA 0.532 5.055 4.527 -0.006 0.000 0.364 542 F C 0.617 176.485 175.800 0.112 0.000 1.120 542 F CA -0.130 57.912 58.000 0.070 0.000 1.102 542 F CB 1.571 40.627 39.000 0.093 0.000 1.183 542 F HN 0.585 nan 8.300 nan 0.000 0.476 543 V N 0.124 120.195 119.914 0.262 0.000 3.130 543 V HA 0.627 4.743 4.120 -0.007 0.000 0.308 543 V C -1.184 175.048 176.094 0.230 0.000 1.413 543 V CA -1.639 60.831 62.300 0.283 0.000 1.053 543 V CB 1.954 33.902 31.823 0.207 0.000 1.075 543 V HN 0.553 nan 8.190 nan 0.000 0.465 544 K N 0.236 120.726 120.400 0.150 0.000 2.098 544 K HA 0.425 4.741 4.320 -0.007 0.000 0.261 544 K C 0.682 177.244 176.600 -0.064 0.000 0.987 544 K CA 0.151 56.457 56.287 0.032 0.000 0.916 544 K CB 1.224 33.613 32.500 -0.186 0.000 1.039 544 K HN 0.795 nan 8.250 nan 0.000 0.455 545 D N 1.891 122.277 120.400 -0.024 0.000 2.154 545 D HA -0.250 4.386 4.640 -0.007 0.000 0.190 545 D C 1.588 177.808 176.300 -0.134 0.000 1.003 545 D CA 1.582 55.551 54.000 -0.053 0.000 0.849 545 D CB -0.797 39.999 40.800 -0.007 0.000 0.942 545 D HN 0.288 nan 8.370 nan 0.000 0.446 546 V N 1.218 121.034 119.914 -0.163 0.000 2.469 546 V HA -0.251 3.865 4.120 -0.007 0.000 0.251 546 V C 2.776 178.706 176.094 -0.273 0.000 1.064 546 V CA 2.240 64.418 62.300 -0.204 0.000 1.066 546 V CB -0.949 30.744 31.823 -0.216 0.000 0.667 546 V HN 0.358 nan 8.190 nan 0.000 0.461 547 T N -0.045 114.313 114.554 -0.328 0.000 2.699 547 T HA -0.200 4.146 4.350 -0.007 0.000 0.268 547 T C 1.879 176.223 174.700 -0.593 0.000 1.036 547 T CA 1.815 63.690 62.100 -0.375 0.000 1.147 547 T CB -0.250 68.450 68.868 -0.281 0.000 0.862 547 T HN 0.350 nan 8.240 nan 0.000 0.446 548 V N 1.723 121.225 119.914 -0.687 0.000 2.237 548 V HA -0.135 3.981 4.120 -0.007 0.000 0.245 548 V C 2.543 178.335 176.094 -0.502 0.000 1.046 548 V CA 1.556 63.278 62.300 -0.963 0.000 1.007 548 V CB -0.889 30.601 31.823 -0.555 0.000 0.638 548 V HN 0.452 nan 8.190 nan 0.000 0.445 549 L N -0.264 120.787 121.223 -0.287 0.000 2.103 549 L HA -0.318 4.018 4.340 -0.007 0.000 0.215 549 L C 2.499 179.274 176.870 -0.157 0.000 1.080 549 L CA 1.847 56.587 54.840 -0.168 0.000 0.764 549 L CB -0.733 41.249 42.059 -0.128 0.000 0.890 549 L HN 0.456 nan 8.230 nan 0.000 0.435 550 Q N -0.681 119.002 119.800 -0.195 0.000 2.444 550 Q HA 0.001 4.337 4.340 -0.007 0.000 0.206 550 Q C 0.931 176.863 176.000 -0.114 0.000 0.948 550 Q CA 0.293 56.012 55.803 -0.141 0.000 0.946 550 Q CB 0.245 28.901 28.738 -0.137 0.000 1.027 550 Q HN 0.532 nan 8.270 nan 0.000 0.513 551 N N -0.183 118.434 118.700 -0.138 0.000 2.143 551 N HA 0.011 4.747 4.740 -0.007 0.000 0.222 551 N C 0.155 175.660 175.510 -0.009 0.000 1.264 551 N CA 0.324 53.341 53.050 -0.055 0.000 0.897 551 N CB 1.349 39.901 38.487 0.109 0.000 1.092 551 N HN 0.156 nan 8.380 nan 0.000 0.516 552 T N -1.720 112.833 114.554 -0.001 0.000 2.937 552 T HA 0.299 4.644 4.350 -0.007 0.000 0.283 552 T C 0.001 174.713 174.700 0.020 0.000 1.012 552 T CA -0.073 62.076 62.100 0.081 0.000 0.997 552 T CB 1.777 70.739 68.868 0.157 0.000 1.136 552 T HN -0.045 nan 8.240 nan 0.000 0.551 553 D N -0.119 120.303 120.400 0.037 0.000 2.911 553 D HA -0.170 4.466 4.640 -0.007 0.000 0.227 553 D C 1.131 177.420 176.300 -0.018 0.000 1.164 553 D CA 2.042 56.047 54.000 0.009 0.000 0.782 553 D CB -1.615 39.187 40.800 0.003 0.000 1.094 553 D HN 1.561 nan 8.370 nan 0.000 0.425 554 G N -0.399 108.381 108.800 -0.033 0.000 2.189 554 G HA2 -0.472 3.484 3.960 -0.007 0.000 0.267 554 G HA3 -0.472 3.484 3.960 -0.007 0.000 0.267 554 G C 1.225 176.085 174.900 -0.067 0.000 0.975 554 G CA 1.213 46.278 45.100 -0.057 0.000 0.644 554 G HN 0.514 nan 8.290 nan 0.000 0.537 555 K N -0.124 120.237 120.400 -0.064 0.000 2.057 555 K HA -0.075 4.241 4.320 -0.007 0.000 0.207 555 K C 1.154 177.707 176.600 -0.079 0.000 1.049 555 K CA 1.187 57.436 56.287 -0.064 0.000 0.931 555 K CB -0.008 32.455 32.500 -0.062 0.000 0.714 555 K HN 0.523 nan 8.250 nan 0.000 0.440 556 N N 0.382 119.014 118.700 -0.114 0.000 2.437 556 N HA 0.037 4.773 4.740 -0.007 0.000 0.259 556 N C -0.227 175.159 175.510 -0.207 0.000 0.983 556 N CA -0.369 52.592 53.050 -0.149 0.000 0.937 556 N CB 0.901 39.275 38.487 -0.189 0.000 1.122 556 N HN -0.003 nan 8.380 nan 0.000 0.499 557 S N 1.636 117.245 115.700 -0.152 0.000 2.614 557 S HA 0.115 4.581 4.470 -0.007 0.000 0.230 557 S C 0.289 174.787 174.600 -0.169 0.000 0.952 557 S CA -0.475 57.636 58.200 -0.149 0.000 0.949 557 S CB -0.044 63.105 63.200 -0.084 0.000 0.786 557 S HN 0.622 nan 8.310 nan 0.000 0.478 558 E N 2.362 122.414 120.200 -0.247 0.000 2.384 558 E HA 0.148 4.494 4.350 -0.007 0.000 0.266 558 E C -1.581 174.831 176.600 -0.313 0.000 1.012 558 E CA -2.056 54.222 56.400 -0.202 0.000 0.901 558 E CB 0.612 30.237 29.700 -0.124 0.000 0.967 558 E HN 0.059 nan 8.360 nan 0.000 0.435 559 P HA -0.283 nan 4.420 nan 0.000 0.222 559 P C 1.008 178.273 177.300 -0.059 0.000 1.147 559 P CA 1.849 64.928 63.100 -0.036 0.000 0.958 559 P CB -0.275 31.473 31.700 0.079 0.000 0.788 560 W N -0.908 120.418 121.300 0.042 0.000 2.424 560 W HA 0.012 4.668 4.660 -0.007 0.000 0.264 560 W C 1.431 177.977 176.519 0.044 0.000 1.229 560 W CA 0.986 58.353 57.345 0.037 0.000 1.208 560 W CB -1.545 27.934 29.460 0.032 0.000 1.127 560 W HN -0.077 nan 8.180 nan 0.000 0.588 561 A N 1.477 123.689 122.820 -1.012 0.000 1.908 561 A HA -0.016 4.300 4.320 -0.007 0.000 0.217 561 A C 1.938 179.310 177.584 -0.355 0.000 1.378 561 A CA 1.693 53.162 52.037 -0.948 0.000 0.613 561 A CB -1.090 17.171 19.000 -1.232 0.000 1.053 561 A HN 0.090 nan 8.150 nan 0.000 0.484 562 K N -0.535 119.680 120.400 -0.309 0.000 2.316 562 K HA -0.355 3.961 4.320 -0.007 0.000 0.197 562 K C 1.222 177.773 176.600 -0.082 0.000 0.736 562 K CA 2.786 58.980 56.287 -0.154 0.000 1.105 562 K CB -0.991 31.441 32.500 -0.113 0.000 1.063 562 K HN 0.591 nan 8.250 nan 0.000 0.624 563 D N 0.621 120.992 120.400 -0.049 0.000 2.350 563 D HA -0.049 4.587 4.640 -0.007 0.000 0.216 563 D C 0.506 176.822 176.300 0.026 0.000 0.968 563 D CA 0.656 54.651 54.000 -0.008 0.000 0.894 563 D CB -0.093 40.710 40.800 0.004 0.000 0.909 563 D HN 0.242 nan 8.370 nan 0.000 0.520 564 L N 0.737 121.992 121.223 0.054 0.000 2.473 564 L HA 0.144 4.479 4.340 -0.007 0.000 0.268 564 L C 0.560 177.518 176.870 0.148 0.000 1.215 564 L CA 0.395 55.330 54.840 0.157 0.000 0.823 564 L CB 0.377 42.623 42.059 0.311 0.000 1.099 564 L HN -0.303 nan 8.230 nan 0.000 0.483 565 K N 0.841 121.357 120.400 0.194 0.000 2.468 565 K HA 0.195 4.511 4.320 -0.007 0.000 0.252 565 K C -0.045 176.687 176.600 0.219 0.000 0.932 565 K CA -0.703 55.671 56.287 0.145 0.000 0.794 565 K CB 2.209 34.745 32.500 0.060 0.000 1.241 565 K HN 0.405 nan 8.250 nan 0.000 0.428 566 Q N 1.256 121.159 119.800 0.171 0.000 2.290 566 Q HA -0.257 4.078 4.340 -0.007 0.000 0.211 566 Q C 1.027 177.123 176.000 0.160 0.000 0.991 566 Q CA 1.775 57.679 55.803 0.170 0.000 0.893 566 Q CB 0.288 29.073 28.738 0.079 0.000 0.913 566 Q HN 0.454 nan 8.270 nan 0.000 0.428 567 E N 0.321 120.576 120.200 0.092 0.000 2.106 567 E HA -0.153 4.193 4.350 -0.007 0.000 0.192 567 E C 1.370 177.957 176.600 -0.022 0.000 0.984 567 E CA 0.893 57.315 56.400 0.035 0.000 0.806 567 E CB -0.220 29.487 29.700 0.012 0.000 0.750 567 E HN 0.434 nan 8.360 nan 0.000 0.458 568 D N -0.317 120.024 120.400 -0.100 0.000 2.350 568 D HA -0.032 4.604 4.640 -0.007 0.000 0.216 568 D C -0.209 175.670 176.300 -0.701 0.000 0.968 568 D CA 0.599 54.350 54.000 -0.414 0.000 0.894 568 D CB -0.039 40.379 40.800 -0.637 0.000 0.909 568 D HN 0.064 nan 8.370 nan 0.000 0.520 569 F N 0.411 120.406 119.950 0.074 0.000 2.540 569 F HA 0.323 4.846 4.527 -0.007 0.000 0.317 569 F C 0.312 176.151 175.800 0.065 0.000 1.104 569 F CA -1.073 56.979 58.000 0.088 0.000 0.913 569 F CB 1.704 40.806 39.000 0.171 0.000 1.170 569 F HN -0.279 nan 8.300 nan 0.000 0.450 570 E N 2.946 123.288 120.200 0.237 0.000 2.369 570 E HA 0.688 5.034 4.350 -0.007 0.000 0.270 570 E C -1.567 175.119 176.600 0.143 0.000 0.909 570 E CA -1.075 55.414 56.400 0.149 0.000 0.775 570 E CB 2.518 32.270 29.700 0.087 0.000 1.270 570 E HN 0.392 nan 8.360 nan 0.000 0.445 571 L N 1.317 122.603 121.223 0.105 0.000 2.379 571 L HA 0.454 4.790 4.340 -0.007 0.000 0.269 571 L C -0.164 176.763 176.870 0.094 0.000 1.084 571 L CA -1.163 53.733 54.840 0.094 0.000 0.802 571 L CB 0.415 42.514 42.059 0.068 0.000 1.175 571 L HN 0.446 nan 8.230 nan 0.000 0.448 572 L N 1.881 123.177 121.223 0.122 0.000 2.262 572 L HA 0.367 4.703 4.340 -0.007 0.000 0.288 572 L C -0.330 176.584 176.870 0.073 0.000 1.035 572 L CA -0.491 54.445 54.840 0.160 0.000 0.820 572 L CB 1.185 43.438 42.059 0.324 0.000 1.204 572 L HN 0.669 nan 8.230 nan 0.000 0.424 573 c N 2.928 121.545 118.600 0.030 0.000 2.459 573 c HA 0.221 4.787 4.570 -0.007 0.000 0.374 573 c C 2.123 176.156 174.090 -0.095 0.000 1.241 573 c CA -0.809 55.485 56.329 -0.059 0.000 2.352 573 c CB 0.874 43.355 42.510 -0.048 0.000 2.490 573 c HN 0.827 nan 8.230 nan 0.000 0.583 574 L N 1.437 122.535 121.223 -0.208 0.000 2.261 574 L HA -0.122 4.214 4.340 -0.007 0.000 0.216 574 L C 1.554 178.385 176.870 -0.066 0.000 1.114 574 L CA 1.427 56.115 54.840 -0.254 0.000 0.777 574 L CB -0.474 41.428 42.059 -0.262 0.000 0.910 574 L HN 0.823 nan 8.230 nan 0.000 0.440 575 D N -0.511 119.871 120.400 -0.031 0.000 2.706 575 D HA 0.113 4.749 4.640 -0.007 0.000 0.236 575 D C 1.328 177.657 176.300 0.048 0.000 1.231 575 D CA 0.323 54.330 54.000 0.012 0.000 0.828 575 D CB -0.064 40.732 40.800 -0.007 0.000 1.015 575 D HN 0.200 nan 8.370 nan 0.000 0.484 576 G N 0.051 108.908 108.800 0.095 0.000 2.205 576 G HA2 -0.342 3.614 3.960 -0.007 0.000 0.269 576 G HA3 -0.342 3.614 3.960 -0.007 0.000 0.269 576 G C 0.644 175.596 174.900 0.087 0.000 0.977 576 G CA 0.987 46.159 45.100 0.120 0.000 0.652 576 G HN 0.529 nan 8.290 nan 0.000 0.539 577 T N -0.129 114.458 114.554 0.056 0.000 2.732 577 T HA 0.652 4.998 4.350 -0.007 0.000 0.287 577 T C 0.552 175.282 174.700 0.050 0.000 0.993 577 T CA -0.027 62.097 62.100 0.040 0.000 0.966 577 T CB 0.996 69.872 68.868 0.014 0.000 1.047 577 T HN 0.444 nan 8.240 nan 0.000 0.527 578 R N 0.480 121.004 120.500 0.040 0.000 2.533 578 R HA 0.463 4.799 4.340 -0.007 0.000 0.288 578 R C -1.012 175.307 176.300 0.031 0.000 1.039 578 R CA -0.976 55.152 56.100 0.047 0.000 0.909 578 R CB 1.604 31.938 30.300 0.057 0.000 1.195 578 R HN 0.360 nan 8.270 nan 0.000 0.438 579 K N 2.009 122.427 120.400 0.030 0.000 2.400 579 K HA 0.541 4.857 4.320 -0.007 0.000 0.246 579 K C -2.667 173.955 176.600 0.035 0.000 0.995 579 K CA -2.474 53.825 56.287 0.021 0.000 0.840 579 K CB 1.642 34.144 32.500 0.003 0.000 1.293 579 K HN 0.228 nan 8.250 nan 0.000 0.445 580 P HA 0.059 nan 4.420 nan 0.000 0.272 580 P C 0.974 178.303 177.300 0.049 0.000 1.240 580 P CA -0.350 62.777 63.100 0.045 0.000 0.791 580 P CB 0.494 32.213 31.700 0.031 0.000 0.978 581 V N 0.908 120.863 119.914 0.069 0.000 2.660 581 V HA -0.270 3.845 4.120 -0.007 0.000 0.257 581 V C 2.113 178.221 176.094 0.023 0.000 1.088 581 V CA 2.492 64.824 62.300 0.054 0.000 1.106 581 V CB -1.743 30.118 31.823 0.062 0.000 0.686 581 V HN 0.661 nan 8.190 nan 0.000 0.481 582 A N -0.629 122.203 122.820 0.020 0.000 2.067 582 A HA -0.068 4.248 4.320 -0.007 0.000 0.217 582 A C 1.919 179.505 177.584 0.004 0.000 1.156 582 A CA 0.731 52.772 52.037 0.007 0.000 0.683 582 A CB -0.228 18.775 19.000 0.005 0.000 0.808 582 A HN 0.573 nan 8.150 nan 0.000 0.455 583 E N 0.164 120.367 120.200 0.004 0.000 2.359 583 E HA 0.233 4.579 4.350 -0.007 0.000 0.187 583 E C 1.643 178.234 176.600 -0.015 0.000 1.081 583 E CA 0.250 56.646 56.400 -0.008 0.000 0.929 583 E CB -0.034 29.659 29.700 -0.011 0.000 1.086 583 E HN 0.602 nan 8.360 nan 0.000 0.462 584 A N 1.480 124.303 122.820 0.004 0.000 1.948 584 A HA -0.237 4.079 4.320 -0.007 0.000 0.220 584 A C 2.015 179.611 177.584 0.020 0.000 1.177 584 A CA 1.207 53.257 52.037 0.022 0.000 0.636 584 A CB -0.158 18.870 19.000 0.046 0.000 0.815 584 A HN 0.115 nan 8.150 nan 0.000 0.449 585 E N -0.088 120.125 120.200 0.021 0.000 2.331 585 E HA -0.079 4.267 4.350 -0.007 0.000 0.199 585 E C 1.183 177.702 176.600 -0.135 0.000 1.008 585 E CA 1.086 57.504 56.400 0.030 0.000 0.843 585 E CB -0.089 29.625 29.700 0.024 0.000 0.761 585 E HN 0.507 nan 8.360 nan 0.000 0.507 586 S N -1.319 114.284 115.700 -0.161 0.000 2.629 586 S HA 0.092 4.558 4.470 -0.007 0.000 0.236 586 S C 0.212 174.665 174.600 -0.245 0.000 1.010 586 S CA -0.348 57.725 58.200 -0.211 0.000 0.981 586 S CB 0.531 63.665 63.200 -0.109 0.000 0.919 586 S HN 0.206 nan 8.310 nan 0.000 0.514 587 c N 3.791 122.238 118.600 -0.255 0.000 3.421 587 c HA 0.397 4.963 4.570 -0.007 0.000 0.194 587 c C -0.196 173.834 174.090 -0.099 0.000 1.418 587 c CA -0.509 55.718 56.329 -0.170 0.000 1.226 587 c CB -1.315 41.153 42.510 -0.070 0.000 1.875 587 c HN 0.712 nan 8.230 nan 0.000 0.561 588 H N -0.057 118.976 119.070 -0.062 0.000 2.797 588 H HA 0.544 5.096 4.556 -0.007 0.000 0.362 588 H C 0.101 175.357 175.328 -0.119 0.000 1.183 588 H CA -0.997 55.012 56.048 -0.065 0.000 1.197 588 H CB 1.144 30.880 29.762 -0.043 0.000 1.835 588 H HN 0.274 nan 8.280 nan 0.000 0.567 589 L N -0.087 121.184 121.223 0.079 0.000 2.354 589 L HA 0.400 4.736 4.340 -0.007 0.000 0.212 589 L C 0.764 177.604 176.870 -0.051 0.000 1.091 589 L CA 0.730 55.529 54.840 -0.068 0.000 0.828 589 L CB 0.237 42.231 42.059 -0.107 0.000 0.973 589 L HN 0.792 nan 8.230 nan 0.000 0.461 590 A N -0.130 122.615 122.820 -0.124 0.000 2.549 590 A HA 0.613 4.929 4.320 -0.007 0.000 0.291 590 A C -1.501 175.825 177.584 -0.429 0.000 1.034 590 A CA -0.686 51.189 52.037 -0.271 0.000 0.655 590 A CB 1.008 19.886 19.000 -0.203 0.000 1.299 590 A HN 0.002 nan 8.150 nan 0.000 0.427 591 R N 0.752 120.989 120.500 -0.438 0.000 2.215 591 R HA 0.718 5.054 4.340 -0.007 0.000 0.337 591 R C -0.149 175.889 176.300 -0.437 0.000 1.010 591 R CA 0.580 56.430 56.100 -0.417 0.000 0.871 591 R CB 0.402 30.498 30.300 -0.340 0.000 1.134 591 R HN 1.463 nan 8.270 nan 0.000 0.477 592 A N 5.603 128.081 122.820 -0.570 0.000 2.282 592 A HA 0.733 5.049 4.320 -0.007 0.000 0.319 592 A C -2.431 174.728 177.584 -0.709 0.000 1.121 592 A CA -1.967 49.624 52.037 -0.744 0.000 0.836 592 A CB 0.660 19.105 19.000 -0.925 0.000 1.146 592 A HN 0.661 nan 8.150 nan 0.000 0.494 593 P HA 0.221 nan 4.420 nan 0.000 0.280 593 P C -0.674 176.602 177.300 -0.039 0.000 1.244 593 P CA -0.296 62.616 63.100 -0.313 0.000 0.784 593 P CB 0.495 31.995 31.700 -0.332 0.000 0.913 594 N N 0.856 119.645 118.700 0.148 0.000 2.305 594 N HA -0.027 4.709 4.740 -0.007 0.000 0.232 594 N C 0.498 176.394 175.510 0.643 0.000 1.274 594 N CA 0.343 53.671 53.050 0.464 0.000 0.870 594 N CB -0.070 38.630 38.487 0.355 0.000 1.105 594 N HN 0.515 nan 8.380 nan 0.000 0.436 595 H N -0.481 118.862 119.070 0.455 0.000 2.703 595 H HA 0.453 5.005 4.556 -0.006 0.000 0.377 595 H C -0.272 175.264 175.328 0.348 0.000 1.392 595 H CA -0.459 55.831 56.048 0.403 0.000 1.458 595 H CB 0.590 30.564 29.762 0.352 0.000 1.529 595 H HN 0.585 nan 8.280 nan 0.000 0.619 596 A N 0.735 123.788 122.820 0.388 0.000 2.594 596 A HA 0.408 4.724 4.320 -0.007 0.000 0.295 596 A C -1.022 176.676 177.584 0.189 0.000 1.071 596 A CA -0.656 51.511 52.037 0.216 0.000 0.685 596 A CB 1.099 20.066 19.000 -0.054 0.000 1.285 596 A HN 0.377 nan 8.150 nan 0.000 0.405 597 V N 1.296 121.326 119.914 0.194 0.000 2.649 597 V HA 0.536 4.652 4.120 -0.007 0.000 0.292 597 V C 0.345 176.471 176.094 0.054 0.000 1.055 597 V CA 0.198 62.608 62.300 0.183 0.000 1.023 597 V CB 1.162 33.191 31.823 0.344 0.000 0.992 597 V HN 1.318 nan 8.190 nan 0.000 0.480 598 V N 1.754 121.658 119.914 -0.016 0.000 3.040 598 V HA 1.078 5.194 4.120 -0.007 0.000 0.312 598 V C -0.444 175.608 176.094 -0.069 0.000 1.115 598 V CA -0.230 62.051 62.300 -0.031 0.000 0.998 598 V CB 1.992 33.802 31.823 -0.023 0.000 1.042 598 V HN 1.094 nan 8.190 nan 0.000 0.433 599 S N 0.908 116.583 115.700 -0.042 0.000 2.655 599 S HA 0.479 4.945 4.470 -0.007 0.000 0.266 599 S C -1.346 173.240 174.600 -0.024 0.000 1.149 599 S CA -1.027 57.144 58.200 -0.048 0.000 0.818 599 S CB 1.642 64.827 63.200 -0.025 0.000 1.130 599 S HN 0.940 nan 8.310 nan 0.000 0.476 600 Q N 1.225 121.011 119.800 -0.023 0.000 2.314 600 Q HA 0.225 4.561 4.340 -0.007 0.000 0.258 600 Q C 1.261 177.262 176.000 0.002 0.000 0.954 600 Q CA 0.288 56.084 55.803 -0.013 0.000 0.890 600 Q CB 1.483 30.210 28.738 -0.018 0.000 1.210 600 Q HN 0.889 nan 8.270 nan 0.000 0.410 601 S N 2.724 118.429 115.700 0.008 0.000 2.441 601 S HA -0.230 4.236 4.470 -0.007 0.000 0.242 601 S C 0.890 175.501 174.600 0.020 0.000 1.018 601 S CA 1.995 60.206 58.200 0.017 0.000 0.988 601 S CB 0.131 63.343 63.200 0.019 0.000 0.778 601 S HN 0.546 nan 8.310 nan 0.000 0.498 602 D N 0.827 121.235 120.400 0.013 0.000 2.077 602 D HA 0.033 4.669 4.640 -0.007 0.000 0.196 602 D C 2.323 178.634 176.300 0.018 0.000 0.986 602 D CA 0.942 54.949 54.000 0.012 0.000 0.829 602 D CB -0.139 40.661 40.800 -0.000 0.000 0.983 602 D HN 0.217 nan 8.370 nan 0.000 0.453 603 R N 0.432 120.942 120.500 0.016 0.000 2.235 603 R HA 0.142 4.478 4.340 -0.007 0.000 0.213 603 R C 1.937 178.285 176.300 0.080 0.000 1.059 603 R CA 0.598 56.720 56.100 0.037 0.000 0.997 603 R CB -0.459 29.854 30.300 0.020 0.000 0.884 603 R HN 0.117 nan 8.270 nan 0.000 0.462 604 A N 1.205 124.057 122.820 0.055 0.000 1.881 604 A HA -0.319 3.997 4.320 -0.007 0.000 0.219 604 A C 2.152 179.771 177.584 0.059 0.000 1.215 604 A CA 1.978 54.046 52.037 0.051 0.000 0.648 604 A CB -0.665 18.357 19.000 0.036 0.000 0.832 604 A HN 0.385 nan 8.150 nan 0.000 0.455 605 Q N -1.893 117.949 119.800 0.071 0.000 2.084 605 Q HA -0.241 4.095 4.340 -0.007 0.000 0.202 605 Q C 2.214 178.271 176.000 0.095 0.000 0.978 605 Q CA 1.694 57.542 55.803 0.075 0.000 0.844 605 Q CB -0.290 28.496 28.738 0.081 0.000 0.898 605 Q HN 0.921 nan 8.270 nan 0.000 0.426 606 H N 0.225 119.312 119.070 0.027 0.000 2.321 606 H HA -0.150 4.402 4.556 -0.007 0.000 0.300 606 H C 2.112 177.461 175.328 0.035 0.000 1.087 606 H CA 1.331 57.398 56.048 0.033 0.000 1.319 606 H CB -0.178 29.600 29.762 0.027 0.000 1.379 606 H HN 0.285 nan 8.280 nan 0.000 0.501 607 L N 1.539 122.847 121.223 0.142 0.000 2.051 607 L HA -0.223 4.113 4.340 -0.007 0.000 0.214 607 L C 2.516 179.378 176.870 -0.012 0.000 1.076 607 L CA 1.893 56.790 54.840 0.096 0.000 0.758 607 L CB -0.838 41.300 42.059 0.131 0.000 0.890 607 L HN 0.307 nan 8.230 nan 0.000 0.433 608 K N -0.229 120.126 120.400 -0.074 0.000 1.985 608 K HA -0.260 4.056 4.320 -0.007 0.000 0.210 608 K C 2.201 178.618 176.600 -0.306 0.000 1.047 608 K CA 1.922 58.047 56.287 -0.271 0.000 0.932 608 K CB -0.091 32.270 32.500 -0.232 0.000 0.716 608 K HN 0.167 nan 8.250 nan 0.000 0.439 609 K N 0.302 120.639 120.400 -0.106 0.000 2.001 609 K HA -0.184 4.132 4.320 -0.007 0.000 0.214 609 K C 1.886 178.488 176.600 0.003 0.000 1.050 609 K CA 1.905 58.204 56.287 0.021 0.000 0.934 609 K CB -0.158 32.339 32.500 -0.005 0.000 0.718 609 K HN -0.009 nan 8.250 nan 0.000 0.443 610 V N 1.513 121.357 119.914 -0.117 0.000 2.392 610 V HA -0.255 3.861 4.120 -0.007 0.000 0.249 610 V C 2.238 178.374 176.094 0.069 0.000 1.059 610 V CA 1.610 63.873 62.300 -0.062 0.000 1.051 610 V CB -0.340 31.395 31.823 -0.148 0.000 0.658 610 V HN 0.353 nan 8.190 nan 0.000 0.455 611 L N -1.872 119.386 121.223 0.057 0.000 2.179 611 L HA -0.062 4.274 4.340 -0.007 0.000 0.208 611 L C 2.396 179.366 176.870 0.167 0.000 1.096 611 L CA 1.108 56.026 54.840 0.129 0.000 0.779 611 L CB -0.430 41.693 42.059 0.106 0.000 0.922 611 L HN 0.253 nan 8.230 nan 0.000 0.443 612 F N 0.353 120.363 119.950 0.100 0.000 2.134 612 F HA -0.184 4.339 4.527 -0.007 0.000 0.299 612 F C 2.280 178.113 175.800 0.055 0.000 1.097 612 F CA 1.096 59.139 58.000 0.070 0.000 1.264 612 F CB -0.734 38.298 39.000 0.053 0.000 1.001 612 F HN -0.054 nan 8.300 nan 0.000 0.479 613 L N -0.952 120.424 121.223 0.256 0.000 1.988 613 L HA -0.203 4.133 4.340 -0.007 0.000 0.207 613 L C 2.595 179.554 176.870 0.148 0.000 1.071 613 L CA 1.026 55.957 54.840 0.152 0.000 0.744 613 L CB -1.015 41.113 42.059 0.116 0.000 0.893 613 L HN 0.030 nan 8.230 nan 0.000 0.433 614 Q N 0.612 120.544 119.800 0.219 0.000 2.133 614 Q HA -0.283 4.053 4.340 -0.007 0.000 0.208 614 Q C 2.155 178.307 176.000 0.254 0.000 0.991 614 Q CA 2.258 58.267 55.803 0.344 0.000 0.867 614 Q CB -0.437 28.597 28.738 0.492 0.000 0.911 614 Q HN 0.741 nan 8.270 nan 0.000 0.417 615 Q N -0.569 119.320 119.800 0.149 0.000 2.389 615 Q HA -0.056 4.280 4.340 -0.007 0.000 0.204 615 Q C 0.656 176.686 176.000 0.051 0.000 0.944 615 Q CA 1.076 56.917 55.803 0.063 0.000 0.908 615 Q CB 0.138 28.965 28.738 0.149 0.000 1.002 615 Q HN 0.098 nan 8.270 nan 0.000 0.493 616 D N 0.720 121.143 120.400 0.038 0.000 2.234 616 D HA -0.089 4.547 4.640 -0.007 0.000 0.205 616 D C 1.687 177.909 176.300 -0.129 0.000 0.962 616 D CA 0.768 54.754 54.000 -0.023 0.000 0.855 616 D CB 0.210 41.004 40.800 -0.009 0.000 0.951 616 D HN 0.384 nan 8.370 nan 0.000 0.500 617 Q N -1.220 118.441 119.800 -0.232 0.000 2.165 617 Q HA 0.033 4.369 4.340 -0.007 0.000 0.197 617 Q C 0.365 175.835 176.000 -0.883 0.000 0.952 617 Q CA 0.851 56.281 55.803 -0.622 0.000 0.848 617 Q CB 0.275 28.544 28.738 -0.781 0.000 0.931 617 Q HN 0.241 nan 8.270 nan 0.000 0.470 618 F N -1.006 118.928 119.950 -0.027 0.000 2.775 618 F HA 0.397 4.919 4.527 -0.007 0.000 0.313 618 F C 0.862 176.529 175.800 -0.223 0.000 1.121 618 F CA -0.392 57.552 58.000 -0.093 0.000 1.206 618 F CB 0.278 39.262 39.000 -0.027 0.000 1.052 618 F HN 0.008 nan 8.300 nan 0.000 0.524 619 G N 0.360 109.136 108.800 -0.039 0.000 2.481 619 G HA2 0.299 4.255 3.960 -0.007 0.000 0.251 619 G HA3 0.299 4.255 3.960 -0.007 0.000 0.251 619 G C 1.398 176.365 174.900 0.113 0.000 1.492 619 G CA 0.066 45.198 45.100 0.055 0.000 1.060 619 G HN 0.282 nan 8.290 nan 0.000 0.553 620 G N -1.062 107.848 108.800 0.183 0.000 2.534 620 G HA2 -0.070 3.886 3.960 -0.007 0.000 0.217 620 G HA3 -0.070 3.886 3.960 -0.007 0.000 0.217 620 G C 0.981 175.885 174.900 0.008 0.000 1.128 620 G CA 0.779 45.920 45.100 0.069 0.000 0.784 620 G HN 0.574 nan 8.290 nan 0.000 0.542 621 N N -0.405 118.295 118.700 0.000 0.000 2.238 621 N HA 0.256 4.992 4.740 -0.007 0.000 0.235 621 N C 0.840 176.327 175.510 -0.037 0.000 1.209 621 N CA -0.258 52.778 53.050 -0.023 0.000 0.879 621 N CB 1.155 39.624 38.487 -0.031 0.000 1.136 621 N HN 0.173 nan 8.380 nan 0.000 0.517 622 G N 1.731 110.509 108.800 -0.037 0.000 2.254 622 G HA2 0.048 4.004 3.960 -0.007 0.000 0.253 622 G HA3 0.048 4.004 3.960 -0.007 0.000 0.253 622 G C -1.575 173.279 174.900 -0.077 0.000 1.246 622 G CA -0.613 44.438 45.100 -0.080 0.000 0.946 622 G HN 0.026 nan 8.290 nan 0.000 0.474 623 P HA -0.058 nan 4.420 nan 0.000 0.217 623 P C 0.982 178.248 177.300 -0.056 0.000 1.150 623 P CA 1.025 64.078 63.100 -0.077 0.000 0.832 623 P CB 0.396 32.039 31.700 -0.094 0.000 0.787 624 D N -1.922 118.424 120.400 -0.089 0.000 2.395 624 D HA 0.021 4.657 4.640 -0.007 0.000 0.226 624 D C 1.345 177.726 176.300 0.136 0.000 1.146 624 D CA 0.006 54.017 54.000 0.019 0.000 0.830 624 D CB -0.245 40.567 40.800 0.021 0.000 0.958 624 D HN 0.164 nan 8.370 nan 0.000 0.501 625 c N 1.447 120.085 118.600 0.063 0.000 2.548 625 c HA -0.024 4.542 4.570 -0.007 0.000 0.284 625 c C -0.453 173.665 174.090 0.047 0.000 1.252 625 c CA 0.795 57.167 56.329 0.072 0.000 1.725 625 c CB -0.901 41.610 42.510 0.002 0.000 2.098 625 c HN 0.155 nan 8.230 nan 0.000 0.471 626 P HA 0.069 nan 4.420 nan 0.000 0.216 626 P C 1.648 178.971 177.300 0.040 0.000 1.153 626 P CA 2.296 65.404 63.100 0.014 0.000 0.848 626 P CB -0.527 31.175 31.700 0.004 0.000 0.787 627 G N 1.461 110.292 108.800 0.051 0.000 2.838 627 G HA2 -0.307 3.649 3.960 -0.007 0.000 0.215 627 G HA3 -0.307 3.649 3.960 -0.007 0.000 0.215 627 G C 1.318 176.277 174.900 0.098 0.000 1.327 627 G CA 2.024 47.163 45.100 0.066 0.000 0.802 627 G HN 0.409 nan 8.290 nan 0.000 0.658 628 K N -2.086 118.412 120.400 0.163 0.000 2.370 628 K HA 0.418 4.734 4.320 -0.007 0.000 0.194 628 K C -0.269 176.486 176.600 0.258 0.000 1.070 628 K CA -0.218 56.183 56.287 0.191 0.000 0.998 628 K CB 0.775 33.395 32.500 0.200 0.000 0.911 628 K HN 0.324 nan 8.250 nan 0.000 0.533 629 F N 0.826 120.827 119.950 0.086 0.000 2.680 629 F HA 0.293 4.816 4.527 -0.007 0.000 0.315 629 F C -2.009 173.795 175.800 0.007 0.000 1.099 629 F CA -1.255 56.706 58.000 -0.064 0.000 1.033 629 F CB 1.386 40.152 39.000 -0.390 0.000 1.285 629 F HN -0.028 nan 8.300 nan 0.000 0.457 630 c N 6.654 124.905 118.600 -0.581 0.000 2.301 630 c HA 0.410 4.976 4.570 -0.007 0.000 0.323 630 c C 1.212 174.639 174.090 -1.104 0.000 1.265 630 c CA -0.664 55.350 56.329 -0.525 0.000 1.503 630 c CB 0.609 42.938 42.510 -0.301 0.000 2.195 630 c HN 0.937 nan 8.230 nan 0.000 0.477 631 L N 2.501 123.100 121.223 -1.040 0.000 2.141 631 L HA 0.131 4.467 4.340 -0.007 0.000 0.209 631 L C 1.120 177.298 176.870 -1.153 0.000 1.094 631 L CA 2.070 56.089 54.840 -1.369 0.000 0.763 631 L CB -0.377 40.773 42.059 -1.515 0.000 0.908 631 L HN 0.674 nan 8.230 nan 0.000 0.437 632 F N -0.271 119.390 119.950 -0.481 0.000 2.730 632 F HA 0.374 4.897 4.527 -0.007 0.000 0.295 632 F C 0.589 176.259 175.800 -0.216 0.000 1.143 632 F CA -0.382 57.425 58.000 -0.321 0.000 1.367 632 F CB -0.422 38.400 39.000 -0.297 0.000 0.970 632 F HN -0.107 nan 8.300 nan 0.000 0.514 633 K N -0.278 120.030 120.400 -0.154 0.000 2.469 633 K HA 0.592 4.908 4.320 -0.007 0.000 0.254 633 K C 0.036 176.567 176.600 -0.116 0.000 0.939 633 K CA -0.419 55.806 56.287 -0.104 0.000 0.812 633 K CB 1.863 34.295 32.500 -0.113 0.000 1.301 633 K HN -0.064 nan 8.250 nan 0.000 0.433 634 S N 1.109 116.784 115.700 -0.041 0.000 2.885 634 S HA 0.148 4.614 4.470 -0.007 0.000 0.238 634 S C -0.809 173.805 174.600 0.024 0.000 0.766 634 S CA -0.563 57.631 58.200 -0.010 0.000 1.089 634 S CB 0.110 63.324 63.200 0.023 0.000 1.396 634 S HN 0.723 nan 8.310 nan 0.000 0.509 635 E N 2.107 122.315 120.200 0.014 0.000 2.287 635 E HA -0.168 4.178 4.350 -0.007 0.000 0.229 635 E C 0.643 177.279 176.600 0.059 0.000 1.194 635 E CA 1.781 58.200 56.400 0.032 0.000 0.704 635 E CB -2.522 27.202 29.700 0.041 0.000 1.216 635 E HN 1.646 nan 8.360 nan 0.000 0.381 636 T N -3.868 110.717 114.554 0.052 0.000 4.242 636 T HA -0.383 3.963 4.350 -0.007 0.000 0.327 636 T C 0.807 175.580 174.700 0.122 0.000 0.837 636 T CA 2.082 64.228 62.100 0.077 0.000 1.949 636 T CB -1.218 67.703 68.868 0.088 0.000 1.943 636 T HN 0.521 nan 8.240 nan 0.000 0.863 637 K N 0.750 121.220 120.400 0.117 0.000 2.374 637 K HA 0.178 4.493 4.320 -0.007 0.000 0.196 637 K C 0.788 177.479 176.600 0.151 0.000 1.023 637 K CA 0.124 56.496 56.287 0.143 0.000 1.103 637 K CB 0.141 32.719 32.500 0.130 0.000 0.848 637 K HN 0.444 nan 8.250 nan 0.000 0.528 638 N N 1.705 120.483 118.700 0.130 0.000 2.721 638 N HA -0.185 4.551 4.740 -0.007 0.000 0.249 638 N C -0.612 175.000 175.510 0.169 0.000 1.072 638 N CA 0.776 53.914 53.050 0.147 0.000 0.710 638 N CB -1.545 37.048 38.487 0.176 0.000 0.993 638 N HN 0.273 nan 8.380 nan 0.000 0.547 639 L N 0.538 121.846 121.223 0.143 0.000 2.453 639 L HA 0.068 4.404 4.340 -0.007 0.000 0.272 639 L C 2.171 179.128 176.870 0.146 0.000 1.182 639 L CA -0.209 54.715 54.840 0.139 0.000 0.858 639 L CB 0.228 42.355 42.059 0.112 0.000 1.120 639 L HN 0.244 nan 8.230 nan 0.000 0.474 640 L N 0.698 121.992 121.223 0.119 0.000 4.373 640 L HA -0.364 3.972 4.340 -0.007 0.000 0.371 640 L C -0.177 176.535 176.870 -0.263 0.000 1.222 640 L CA 1.699 56.531 54.840 -0.012 0.000 2.643 640 L CB -0.980 41.076 42.059 -0.005 0.000 1.094 640 L HN 0.507 nan 8.230 nan 0.000 0.692 641 F N -1.843 118.213 119.950 0.176 0.000 2.685 641 F HA 0.434 4.957 4.527 -0.007 0.000 0.315 641 F C 0.500 176.381 175.800 0.135 0.000 1.126 641 F CA -1.010 57.118 58.000 0.213 0.000 0.950 641 F CB 0.517 39.710 39.000 0.320 0.000 1.360 641 F HN -0.182 nan 8.300 nan 0.000 0.469 642 N N 1.101 119.965 118.700 0.273 0.000 2.479 642 N HA 0.003 4.739 4.740 -0.007 0.000 0.257 642 N C 0.252 175.810 175.510 0.080 0.000 1.232 642 N CA 0.243 53.343 53.050 0.083 0.000 0.920 642 N CB 0.785 39.212 38.487 -0.100 0.000 1.105 642 N HN 0.612 nan 8.380 nan 0.000 0.444 643 D N 0.495 120.912 120.400 0.029 0.000 2.310 643 D HA -0.110 4.526 4.640 -0.007 0.000 0.212 643 D C 0.876 177.154 176.300 -0.038 0.000 0.965 643 D CA 0.987 54.994 54.000 0.012 0.000 0.879 643 D CB -0.040 40.760 40.800 -0.001 0.000 0.921 643 D HN 0.641 nan 8.370 nan 0.000 0.510 644 N N -0.695 117.952 118.700 -0.089 0.000 2.268 644 N HA -0.030 4.706 4.740 -0.007 0.000 0.204 644 N C -0.232 175.179 175.510 -0.165 0.000 1.124 644 N CA -0.103 52.874 53.050 -0.121 0.000 0.838 644 N CB 0.007 38.407 38.487 -0.145 0.000 0.994 644 N HN -0.279 nan 8.380 nan 0.000 0.489 645 T N 0.338 114.769 114.554 -0.205 0.000 2.888 645 T HA -0.010 4.336 4.350 -0.007 0.000 0.301 645 T C 0.772 175.151 174.700 -0.535 0.000 1.001 645 T CA -0.127 61.717 62.100 -0.428 0.000 1.147 645 T CB 1.745 70.206 68.868 -0.680 0.000 0.931 645 T HN 0.319 nan 8.240 nan 0.000 0.541 646 E N 0.725 120.643 120.200 -0.471 0.000 2.132 646 E HA 0.100 4.446 4.350 -0.007 0.000 0.193 646 E C 0.700 177.038 176.600 -0.438 0.000 0.951 646 E CA 0.329 56.527 56.400 -0.337 0.000 0.843 646 E CB 0.440 30.021 29.700 -0.198 0.000 0.807 646 E HN 0.858 nan 8.360 nan 0.000 0.467 647 c N -1.501 116.794 118.600 -0.508 0.000 3.275 647 c HA 0.537 5.103 4.570 -0.007 0.000 0.340 647 c C -1.388 172.539 174.090 -0.272 0.000 1.366 647 c CA -1.302 54.810 56.329 -0.361 0.000 1.227 647 c CB 0.128 42.568 42.510 -0.117 0.000 1.512 647 c HN 0.151 nan 8.230 nan 0.000 0.461 648 L N 2.705 123.903 121.223 -0.042 0.000 2.257 648 L HA 0.669 5.005 4.340 -0.007 0.000 0.290 648 L C 0.881 177.837 176.870 0.143 0.000 1.044 648 L CA 0.134 55.019 54.840 0.074 0.000 0.810 648 L CB 1.115 43.283 42.059 0.182 0.000 1.193 648 L HN 1.053 nan 8.230 nan 0.000 0.425 649 A N 3.993 126.885 122.820 0.120 0.000 2.298 649 A HA 0.568 4.884 4.320 -0.007 0.000 0.302 649 A C -0.118 177.579 177.584 0.187 0.000 1.177 649 A CA -0.617 51.510 52.037 0.151 0.000 0.912 649 A CB 0.579 19.640 19.000 0.101 0.000 1.331 649 A HN 0.605 nan 8.150 nan 0.000 0.504 650 E N -0.109 120.215 120.200 0.208 0.000 2.349 650 E HA 0.225 4.571 4.350 -0.007 0.000 0.265 650 E C 0.442 177.140 176.600 0.163 0.000 1.064 650 E CA -0.315 56.208 56.400 0.205 0.000 0.886 650 E CB 1.034 30.878 29.700 0.240 0.000 1.036 650 E HN 0.541 nan 8.360 nan 0.000 0.413 651 L N 1.294 122.599 121.223 0.138 0.000 2.551 651 L HA -0.103 4.233 4.340 -0.007 0.000 0.228 651 L C 0.440 177.410 176.870 0.168 0.000 1.153 651 L CA 0.257 55.187 54.840 0.149 0.000 0.851 651 L CB -0.254 41.864 42.059 0.097 0.000 0.959 651 L HN 0.397 nan 8.230 nan 0.000 0.451 652 Q N -0.135 119.749 119.800 0.140 0.000 2.475 652 Q HA -0.261 4.075 4.340 -0.007 0.000 0.280 652 Q C 1.237 177.297 176.000 0.101 0.000 1.234 652 Q CA 0.923 56.795 55.803 0.116 0.000 0.873 652 Q CB -1.954 26.852 28.738 0.113 0.000 1.256 652 Q HN 0.765 nan 8.270 nan 0.000 0.475 653 G N -0.670 108.189 108.800 0.098 0.000 2.320 653 G HA2 -0.366 3.590 3.960 -0.007 0.000 0.242 653 G HA3 -0.366 3.590 3.960 -0.007 0.000 0.242 653 G C 0.234 175.190 174.900 0.092 0.000 1.033 653 G CA 0.384 45.533 45.100 0.081 0.000 0.620 653 G HN 0.297 nan 8.290 nan 0.000 0.517 654 K N 2.003 122.482 120.400 0.131 0.000 2.095 654 K HA 0.407 4.723 4.320 -0.007 0.000 0.258 654 K C 1.605 178.300 176.600 0.158 0.000 1.120 654 K CA 0.717 57.105 56.287 0.169 0.000 1.026 654 K CB 0.410 33.072 32.500 0.271 0.000 1.256 654 K HN 0.471 nan 8.250 nan 0.000 0.360 655 T N -2.038 112.576 114.554 0.100 0.000 3.037 655 T HA -0.014 4.332 4.350 -0.007 0.000 0.251 655 T C 0.881 175.620 174.700 0.065 0.000 1.079 655 T CA 0.116 62.257 62.100 0.069 0.000 1.067 655 T CB 0.091 68.990 68.868 0.052 0.000 0.948 655 T HN 0.410 nan 8.240 nan 0.000 0.496 656 T N -0.325 114.268 114.554 0.065 0.000 2.943 656 T HA 0.446 4.792 4.350 -0.007 0.000 0.284 656 T C 0.928 175.689 174.700 0.103 0.000 1.015 656 T CA -0.499 61.623 62.100 0.037 0.000 1.042 656 T CB 1.111 69.944 68.868 -0.058 0.000 1.055 656 T HN 0.299 nan 8.240 nan 0.000 0.500 657 Y N 0.586 120.942 120.300 0.093 0.000 2.224 657 Y HA 0.026 4.571 4.550 -0.008 0.000 0.289 657 Y C 1.994 177.993 175.900 0.165 0.000 1.146 657 Y CA 1.392 59.578 58.100 0.144 0.000 1.182 657 Y CB -0.958 37.551 38.460 0.082 0.000 0.983 657 Y HN 0.748 nan 8.280 nan 0.000 0.524 658 E N 0.486 120.412 120.200 -0.456 0.000 2.051 658 E HA -0.228 4.117 4.350 -0.007 0.000 0.192 658 E C 2.282 178.871 176.600 -0.018 0.000 0.991 658 E CA 1.580 57.822 56.400 -0.263 0.000 0.799 658 E CB -0.232 29.201 29.700 -0.444 0.000 0.748 658 E HN 0.652 nan 8.360 nan 0.000 0.449 659 Q N -0.456 119.338 119.800 -0.009 0.000 2.050 659 Q HA -0.211 4.125 4.340 -0.007 0.000 0.202 659 Q C 1.978 178.058 176.000 0.133 0.000 0.980 659 Q CA 1.505 57.341 55.803 0.055 0.000 0.840 659 Q CB -0.175 28.597 28.738 0.057 0.000 0.898 659 Q HN 0.323 nan 8.270 nan 0.000 0.424 660 Y N 1.018 121.365 120.300 0.078 0.000 2.109 660 Y HA -0.194 4.351 4.550 -0.008 0.000 0.285 660 Y C 1.845 177.828 175.900 0.138 0.000 1.131 660 Y CA 1.461 59.629 58.100 0.112 0.000 1.121 660 Y CB -0.289 38.255 38.460 0.141 0.000 0.987 660 Y HN 0.005 nan 8.280 nan 0.000 0.495 661 L N -0.186 121.135 121.223 0.162 0.000 2.131 661 L HA 0.048 4.384 4.340 -0.007 0.000 0.210 661 L C 1.245 178.170 176.870 0.092 0.000 1.092 661 L CA 0.805 55.730 54.840 0.141 0.000 0.759 661 L CB -1.322 40.949 42.059 0.355 0.000 0.903 661 L HN 0.496 nan 8.230 nan 0.000 0.435 662 G N -1.409 107.443 108.800 0.086 0.000 2.690 662 G HA2 -0.212 3.744 3.960 -0.007 0.000 0.686 662 G HA3 -0.212 3.744 3.960 -0.007 0.000 0.686 662 G C 0.408 175.359 174.900 0.085 0.000 1.277 662 G CA -0.347 44.786 45.100 0.054 0.000 0.799 662 G HN 0.061 nan 8.290 nan 0.000 0.613 663 S N 0.192 115.924 115.700 0.054 0.000 2.456 663 S HA -0.220 4.246 4.470 -0.007 0.000 0.232 663 S C 1.853 176.498 174.600 0.075 0.000 1.046 663 S CA 1.964 60.197 58.200 0.054 0.000 1.175 663 S CB -0.685 62.535 63.200 0.032 0.000 1.129 663 S HN 0.890 nan 8.310 nan 0.000 0.420 664 E N 0.065 120.305 120.200 0.067 0.000 2.081 664 E HA -0.315 4.031 4.350 -0.007 0.000 0.235 664 E C 1.904 178.581 176.600 0.128 0.000 1.043 664 E CA 2.165 58.611 56.400 0.077 0.000 0.924 664 E CB -0.458 29.276 29.700 0.056 0.000 0.821 664 E HN 0.523 nan 8.360 nan 0.000 0.517 665 Y N 0.949 121.238 120.300 -0.018 0.000 2.132 665 Y HA -0.270 4.277 4.550 -0.006 0.000 0.280 665 Y C 2.260 178.151 175.900 -0.014 0.000 1.193 665 Y CA 1.506 59.589 58.100 -0.030 0.000 1.157 665 Y CB -0.730 37.705 38.460 -0.043 0.000 0.966 665 Y HN -0.014 nan 8.280 nan 0.000 0.511 666 V N -0.405 119.536 119.914 0.045 0.000 2.287 666 V HA -0.367 3.749 4.120 -0.007 0.000 0.248 666 V C 2.251 178.340 176.094 -0.009 0.000 1.053 666 V CA 2.601 64.919 62.300 0.030 0.000 1.027 666 V CB -1.127 30.826 31.823 0.217 0.000 0.646 666 V HN 0.548 nan 8.190 nan 0.000 0.447 667 T N -1.307 113.268 114.554 0.035 0.000 2.821 667 T HA -0.199 4.147 4.350 -0.007 0.000 0.267 667 T C 2.068 176.769 174.700 0.001 0.000 1.046 667 T CA 1.635 63.755 62.100 0.034 0.000 1.139 667 T CB -0.383 68.513 68.868 0.047 0.000 0.871 667 T HN 0.478 nan 8.240 nan 0.000 0.454 668 S N 0.968 116.666 115.700 -0.003 0.000 2.368 668 S HA -0.027 4.439 4.470 -0.007 0.000 0.225 668 S C 2.031 176.583 174.600 -0.079 0.000 1.030 668 S CA 0.723 58.930 58.200 0.012 0.000 0.999 668 S CB -0.579 62.675 63.200 0.090 0.000 0.844 668 S HN 0.504 nan 8.310 nan 0.000 0.459 669 I N 1.430 121.831 120.570 -0.282 0.000 2.394 669 I HA -0.136 4.030 4.170 -0.007 0.000 0.251 669 I C 2.394 178.305 176.117 -0.343 0.000 1.136 669 I CA 1.502 62.508 61.300 -0.491 0.000 1.425 669 I CB -0.646 36.707 38.000 -1.079 0.000 1.079 669 I HN 0.422 nan 8.210 nan 0.000 0.425 670 T N -0.421 114.023 114.554 -0.183 0.000 2.857 670 T HA -0.046 4.300 4.350 -0.007 0.000 0.266 670 T C 1.659 176.370 174.700 0.018 0.000 1.048 670 T CA 0.891 62.978 62.100 -0.022 0.000 1.139 670 T CB -0.352 68.558 68.868 0.069 0.000 0.874 670 T HN 0.252 nan 8.240 nan 0.000 0.455 671 N N 1.625 120.351 118.700 0.043 0.000 2.244 671 N HA 0.063 4.799 4.740 -0.007 0.000 0.183 671 N C 1.766 177.353 175.510 0.129 0.000 1.016 671 N CA 0.685 53.812 53.050 0.127 0.000 0.866 671 N CB -0.505 38.091 38.487 0.181 0.000 0.980 671 N HN 0.376 nan 8.380 nan 0.000 0.430 672 L N 0.373 121.629 121.223 0.056 0.000 2.156 672 L HA 0.014 4.350 4.340 -0.007 0.000 0.208 672 L C 2.461 179.306 176.870 -0.041 0.000 1.095 672 L CA 0.683 55.520 54.840 -0.004 0.000 0.770 672 L CB -0.218 41.860 42.059 0.032 0.000 0.914 672 L HN 0.058 nan 8.230 nan 0.000 0.439 673 R N 0.329 120.816 120.500 -0.023 0.000 2.120 673 R HA -0.198 4.138 4.340 -0.007 0.000 0.234 673 R C 2.394 178.681 176.300 -0.022 0.000 1.123 673 R CA 1.191 57.289 56.100 -0.003 0.000 0.975 673 R CB -0.152 30.167 30.300 0.032 0.000 0.866 673 R HN 0.207 nan 8.270 nan 0.000 0.446 674 R N -0.373 120.111 120.500 -0.026 0.000 2.170 674 R HA -0.190 4.145 4.340 -0.007 0.000 0.242 674 R C 1.739 177.974 176.300 -0.107 0.000 1.145 674 R CA 2.030 58.112 56.100 -0.030 0.000 0.984 674 R CB -0.296 30.023 30.300 0.032 0.000 0.869 674 R HN 0.272 nan 8.270 nan 0.000 0.455 675 c N -1.896 116.576 118.600 -0.214 0.000 2.568 675 c HA 0.334 4.900 4.570 -0.007 0.000 0.284 675 c C 1.018 175.016 174.090 -0.153 0.000 1.338 675 c CA -0.053 56.095 56.329 -0.302 0.000 1.724 675 c CB 0.336 42.465 42.510 -0.636 0.000 2.131 675 c HN 0.395 nan 8.230 nan 0.000 0.513 676 S N -0.584 115.078 115.700 -0.063 0.000 2.541 676 S HA 0.619 5.085 4.470 -0.007 0.000 0.280 676 S C -0.865 173.751 174.600 0.027 0.000 1.112 676 S CA -0.137 58.069 58.200 0.010 0.000 0.925 676 S CB 1.691 64.945 63.200 0.090 0.000 1.067 676 S HN 0.366 nan 8.310 nan 0.000 0.479 677 S N 1.194 116.907 115.700 0.022 0.000 2.638 677 S HA 0.773 5.239 4.470 -0.007 0.000 0.302 677 S C -0.755 173.860 174.600 0.025 0.000 1.096 677 S CA -0.433 57.783 58.200 0.028 0.000 0.953 677 S CB 1.751 64.964 63.200 0.022 0.000 1.107 677 S HN 0.619 nan 8.310 nan 0.000 0.503 678 S N 1.579 117.297 115.700 0.030 0.000 2.549 678 S HA 0.554 5.020 4.470 -0.007 0.000 0.297 678 S C -1.713 172.899 174.600 0.020 0.000 1.115 678 S CA -2.015 56.201 58.200 0.027 0.000 1.059 678 S CB 1.196 64.423 63.200 0.045 0.000 1.046 678 S HN 0.600 nan 8.310 nan 0.000 0.506 679 P HA -0.119 nan 4.420 nan 0.000 0.218 679 P C 1.678 178.983 177.300 0.007 0.000 1.148 679 P CA 0.791 63.892 63.100 0.002 0.000 0.822 679 P CB 0.058 31.754 31.700 -0.007 0.000 0.784 680 L N -0.962 120.271 121.223 0.016 0.000 2.056 680 L HA -0.132 4.204 4.340 -0.007 0.000 0.207 680 L C 2.392 179.272 176.870 0.016 0.000 1.078 680 L CA 1.268 56.118 54.840 0.017 0.000 0.749 680 L CB -0.759 41.316 42.059 0.028 0.000 0.901 680 L HN -0.070 nan 8.230 nan 0.000 0.433 681 L N 0.203 121.438 121.223 0.021 0.000 2.079 681 L HA -0.250 4.086 4.340 -0.007 0.000 0.210 681 L C 2.476 179.353 176.870 0.011 0.000 1.081 681 L CA 1.767 56.613 54.840 0.010 0.000 0.752 681 L CB -1.052 41.027 42.059 0.034 0.000 0.896 681 L HN 0.336 nan 8.230 nan 0.000 0.433 682 E N -1.101 119.110 120.200 0.019 0.000 2.051 682 E HA -0.099 4.247 4.350 -0.007 0.000 0.189 682 E C 2.252 178.882 176.600 0.050 0.000 0.979 682 E CA 0.912 57.327 56.400 0.025 0.000 0.803 682 E CB -0.145 29.559 29.700 0.007 0.000 0.761 682 E HN 0.449 nan 8.360 nan 0.000 0.451 683 A N 0.853 123.698 122.820 0.041 0.000 1.917 683 A HA -0.252 4.064 4.320 -0.007 0.000 0.219 683 A C 2.375 180.033 177.584 0.124 0.000 1.182 683 A CA 1.523 53.606 52.037 0.077 0.000 0.633 683 A CB -0.985 18.042 19.000 0.046 0.000 0.819 683 A HN 0.394 nan 8.150 nan 0.000 0.448 684 c N -1.263 117.372 118.600 0.058 0.000 2.450 684 c HA 0.193 4.758 4.570 -0.007 0.000 0.279 684 c C 3.256 177.358 174.090 0.021 0.000 1.335 684 c CA 0.327 56.672 56.329 0.027 0.000 1.749 684 c CB -1.357 41.142 42.510 -0.019 0.000 1.963 684 c HN 0.718 nan 8.230 nan 0.000 0.501 685 A N 0.275 123.119 122.820 0.039 0.000 1.940 685 A HA -0.201 4.115 4.320 -0.007 0.000 0.219 685 A C 1.893 179.504 177.584 0.045 0.000 1.176 685 A CA 1.809 53.864 52.037 0.031 0.000 0.631 685 A CB -0.736 18.289 19.000 0.042 0.000 0.814 685 A HN 0.586 nan 8.150 nan 0.000 0.446 686 F N 0.531 120.463 119.950 -0.030 0.000 2.098 686 F HA -0.026 4.499 4.527 -0.002 0.000 0.294 686 F C 1.844 177.629 175.800 -0.025 0.000 1.107 686 F CA 1.542 59.526 58.000 -0.026 0.000 1.234 686 F CB -0.372 38.614 39.000 -0.024 0.000 1.002 686 F HN 0.118 nan 8.300 nan 0.000 0.472 687 L N 0.103 121.219 121.223 -0.178 0.000 2.046 687 L HA -0.159 4.177 4.340 -0.007 0.000 0.208 687 L C 2.254 178.964 176.870 -0.267 0.000 1.077 687 L CA 1.079 55.751 54.840 -0.282 0.000 0.747 687 L CB -0.716 41.322 42.059 -0.034 0.000 0.896 687 L HN 0.011 nan 8.230 nan 0.000 0.432 688 R N 0.584 120.987 120.500 -0.161 0.000 2.319 688 R HA 0.230 4.566 4.340 -0.007 0.000 0.204 688 R C 0.590 176.806 176.300 -0.139 0.000 0.954 688 R CA 0.138 56.163 56.100 -0.124 0.000 1.066 688 R CB -0.571 29.686 30.300 -0.071 0.000 0.991 688 R HN 0.257 nan 8.270 nan 0.000 0.486 689 A N 0.000 122.692 122.820 -0.213 0.000 2.254 689 A HA 0.000 4.316 4.320 -0.007 0.000 0.244 689 A CA 0.000 51.926 52.037 -0.184 0.000 0.836 689 A CB 0.000 18.861 19.000 -0.231 0.000 0.831 689 A HN 0.000 nan 8.150 nan 0.000 0.486