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 1b7u_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 0.000 177.585 177.584 0.001 0.000 1.274 1 A CA 0.000 52.037 52.037 0.001 0.000 0.836 1 A CB 0.000 19.000 19.000 0.001 0.000 0.831 2 P HA 0.219 nan 4.420 nan 0.000 0.251 2 P C 0.078 177.379 177.300 0.001 0.000 1.154 2 P CA 0.360 63.460 63.100 -0.000 0.000 0.805 2 P CB 0.001 31.699 31.700 -0.003 0.000 0.759 3 R N 3.818 124.321 120.500 0.004 0.000 2.585 3 R HA 0.023 4.364 4.340 0.001 0.000 0.275 3 R C 0.147 176.450 176.300 0.006 0.000 1.018 3 R CA 0.248 56.352 56.100 0.006 0.000 1.072 3 R CB 0.173 30.479 30.300 0.010 0.000 0.953 3 R HN 0.171 nan 8.270 nan 0.000 0.419 4 K N 2.584 122.988 120.400 0.007 0.000 2.453 4 K HA 0.027 4.348 4.320 0.001 0.000 0.280 4 K C -0.022 176.585 176.600 0.012 0.000 1.045 4 K CA 0.399 56.690 56.287 0.007 0.000 1.059 4 K CB 0.232 32.736 32.500 0.007 0.000 0.901 4 K HN 0.573 nan 8.250 nan 0.000 0.475 5 S N 1.100 116.806 115.700 0.010 0.000 2.584 5 S HA 0.132 4.603 4.470 0.001 0.000 0.270 5 S C 0.670 175.286 174.600 0.026 0.000 1.346 5 S CA -0.729 57.478 58.200 0.012 0.000 1.018 5 S CB 0.806 64.005 63.200 -0.001 0.000 0.899 5 S HN 0.282 nan 8.310 nan 0.000 0.542 6 V N 2.057 121.998 119.914 0.044 0.000 3.385 6 V HA 0.356 4.476 4.120 0.001 0.000 0.301 6 V C 0.100 176.242 176.094 0.081 0.000 1.082 6 V CA -0.116 62.224 62.300 0.068 0.000 1.085 6 V CB 0.920 32.807 31.823 0.107 0.000 1.152 6 V HN 0.761 nan 8.190 nan 0.000 0.465 7 R N 1.307 121.860 120.500 0.089 0.000 2.545 7 R HA 0.216 4.556 4.340 0.001 0.000 0.289 7 R C -1.145 175.234 176.300 0.132 0.000 1.327 7 R CA -0.289 55.870 56.100 0.099 0.000 1.040 7 R CB 1.016 31.344 30.300 0.046 0.000 1.176 7 R HN 0.725 nan 8.270 nan 0.000 0.518 8 W N 4.357 125.679 121.300 0.038 0.000 2.272 8 W HA 0.253 4.914 4.660 0.001 0.000 0.318 8 W C -0.382 176.149 176.519 0.019 0.000 1.255 8 W CA -1.029 56.341 57.345 0.041 0.000 1.200 8 W CB 1.242 30.755 29.460 0.087 0.000 1.170 8 W HN 0.448 nan 8.180 nan 0.000 0.549 9 c N 7.155 125.748 118.600 -0.012 0.000 2.415 9 c HA 0.548 5.119 4.570 0.001 0.000 0.369 9 c C 0.587 174.849 174.090 0.286 0.000 1.279 9 c CA 0.050 56.416 56.329 0.061 0.000 1.886 9 c CB -0.713 41.726 42.510 -0.118 0.000 2.468 9 c HN 0.606 nan 8.230 nan 0.000 0.553 10 T N 4.144 118.830 114.554 0.219 0.000 2.888 10 T HA 0.498 4.848 4.350 0.001 0.000 0.284 10 T C 0.395 175.131 174.700 0.060 0.000 1.017 10 T CA -0.713 61.494 62.100 0.179 0.000 1.022 10 T CB 1.259 70.212 68.868 0.140 0.000 1.013 10 T HN 0.759 nan 8.240 nan 0.000 0.465 11 I N -0.566 120.020 120.570 0.026 0.000 3.889 11 I HA 0.443 4.614 4.170 0.001 0.000 0.332 11 I C -0.044 176.024 176.117 -0.081 0.000 1.493 11 I CA -0.665 60.605 61.300 -0.051 0.000 1.158 11 I CB -0.407 37.545 38.000 -0.080 0.000 1.117 11 I HN 0.715 nan 8.210 nan 0.000 0.411 12 S N -1.007 114.666 115.700 -0.046 0.000 2.597 12 S HA 0.458 4.928 4.470 0.001 0.000 0.274 12 S C -2.682 171.903 174.600 -0.025 0.000 1.132 12 S CA -0.745 57.420 58.200 -0.059 0.000 0.835 12 S CB 1.580 64.728 63.200 -0.086 0.000 1.092 12 S HN -0.175 nan 8.310 nan 0.000 0.457 13 P HA 0.031 nan 4.420 nan 0.000 0.219 13 P C 1.435 178.736 177.300 0.002 0.000 1.146 13 P CA 1.898 64.991 63.100 -0.010 0.000 0.808 13 P CB -0.080 31.610 31.700 -0.016 0.000 0.779 14 A N -0.432 122.387 122.820 -0.001 0.000 1.930 14 A HA -0.152 4.168 4.320 0.001 0.000 0.215 14 A C 2.247 179.848 177.584 0.029 0.000 1.176 14 A CA 1.155 53.200 52.037 0.014 0.000 0.632 14 A CB -1.114 17.892 19.000 0.011 0.000 0.819 14 A HN 0.118 nan 8.150 nan 0.000 0.445 15 E N -0.227 119.990 120.200 0.029 0.000 2.209 15 E HA -0.135 4.216 4.350 0.001 0.000 0.196 15 E C 1.993 178.624 176.600 0.052 0.000 0.993 15 E CA 0.871 57.299 56.400 0.046 0.000 0.819 15 E CB -0.134 29.601 29.700 0.058 0.000 0.745 15 E HN 0.606 nan 8.360 nan 0.000 0.477 16 A N 0.771 123.618 122.820 0.045 0.000 1.878 16 A HA 0.106 4.427 4.320 0.001 0.000 0.213 16 A C 2.347 179.959 177.584 0.046 0.000 1.192 16 A CA 1.088 53.155 52.037 0.049 0.000 0.619 16 A CB -0.582 18.440 19.000 0.037 0.000 0.837 16 A HN 0.329 nan 8.150 nan 0.000 0.446 17 A N 0.046 122.889 122.820 0.038 0.000 1.940 17 A HA -0.211 4.110 4.320 0.001 0.000 0.219 17 A C 2.053 179.674 177.584 0.062 0.000 1.176 17 A CA 2.494 54.555 52.037 0.040 0.000 0.631 17 A CB -0.418 18.603 19.000 0.034 0.000 0.814 17 A HN 0.455 nan 8.150 nan 0.000 0.446 18 K N 0.018 120.458 120.400 0.067 0.000 2.002 18 K HA -0.158 4.162 4.320 0.001 0.000 0.209 18 K C 2.120 178.791 176.600 0.119 0.000 1.048 18 K CA 1.787 58.129 56.287 0.093 0.000 0.930 18 K CB -1.177 31.361 32.500 0.064 0.000 0.714 18 K HN 0.559 nan 8.250 nan 0.000 0.438 19 c N 0.562 119.215 118.600 0.088 0.000 2.422 19 c HA 0.060 4.630 4.570 0.001 0.000 0.279 19 c C 2.535 176.674 174.090 0.082 0.000 1.305 19 c CA 1.077 57.471 56.329 0.109 0.000 1.757 19 c CB -1.328 41.234 42.510 0.088 0.000 1.962 19 c HN 0.514 nan 8.230 nan 0.000 0.499 20 A N 0.844 123.695 122.820 0.051 0.000 1.841 20 A HA -0.205 4.116 4.320 0.001 0.000 0.216 20 A C 2.379 179.952 177.584 -0.018 0.000 1.199 20 A CA 2.095 54.139 52.037 0.012 0.000 0.621 20 A CB -1.021 17.990 19.000 0.019 0.000 0.835 20 A HN 0.743 nan 8.150 nan 0.000 0.445 21 K N -1.840 118.579 120.400 0.032 0.000 2.089 21 K HA -0.214 4.106 4.320 0.001 0.000 0.210 21 K C 1.838 178.275 176.600 -0.272 0.000 1.048 21 K CA 1.900 58.201 56.287 0.022 0.000 0.926 21 K CB -0.336 32.314 32.500 0.250 0.000 0.714 21 K HN 0.395 nan 8.250 nan 0.000 0.448 22 F N 2.116 121.816 119.950 -0.416 0.000 2.113 22 F HA -0.176 4.351 4.527 0.001 0.000 0.297 22 F C 2.471 177.891 175.800 -0.633 0.000 1.103 22 F CA 1.646 59.160 58.000 -0.811 0.000 1.248 22 F CB -0.963 37.856 39.000 -0.302 0.000 0.999 22 F HN 0.128 nan 8.300 nan 0.000 0.475 23 Q N 0.706 120.328 119.800 -0.297 0.000 2.082 23 Q HA -0.282 4.059 4.340 0.001 0.000 0.211 23 Q C 2.332 178.139 176.000 -0.322 0.000 1.002 23 Q CA 2.650 58.271 55.803 -0.304 0.000 0.868 23 Q CB -0.316 28.333 28.738 -0.147 0.000 0.931 23 Q HN 0.397 nan 8.270 nan 0.000 0.414 24 R N -0.127 120.210 120.500 -0.272 0.000 2.136 24 R HA -0.258 4.082 4.340 0.001 0.000 0.242 24 R C 2.024 178.180 176.300 -0.240 0.000 1.131 24 R CA 2.155 58.125 56.100 -0.217 0.000 0.937 24 R CB -0.982 29.207 30.300 -0.185 0.000 0.863 24 R HN 0.709 nan 8.270 nan 0.000 0.435 25 N N -0.331 118.150 118.700 -0.365 0.000 2.381 25 N HA -0.130 4.611 4.740 0.001 0.000 0.182 25 N C 1.411 176.809 175.510 -0.187 0.000 1.025 25 N CA 1.063 53.972 53.050 -0.234 0.000 0.888 25 N CB -0.062 38.322 38.487 -0.172 0.000 0.965 25 N HN 0.063 nan 8.380 nan 0.000 0.438 26 M N 1.342 120.708 119.600 -0.390 0.000 2.059 26 M HA -0.097 4.384 4.480 0.001 0.000 0.259 26 M C 2.149 178.355 176.300 -0.158 0.000 1.072 26 M CA 1.542 56.648 55.300 -0.323 0.000 1.117 26 M CB -1.164 31.163 32.600 -0.455 0.000 1.320 26 M HN 0.325 nan 8.290 nan 0.000 0.408 27 K N 0.016 120.327 120.400 -0.148 0.000 2.283 27 K HA -0.135 4.186 4.320 0.001 0.000 0.202 27 K C 1.748 178.311 176.600 -0.062 0.000 1.048 27 K CA 0.868 57.100 56.287 -0.090 0.000 0.948 27 K CB 0.131 32.580 32.500 -0.084 0.000 0.742 27 K HN 0.068 nan 8.250 nan 0.000 0.458 28 K N 0.598 120.960 120.400 -0.063 0.000 2.211 28 K HA -0.031 4.290 4.320 0.001 0.000 0.203 28 K C 1.785 178.383 176.600 -0.003 0.000 1.050 28 K CA 0.889 57.159 56.287 -0.028 0.000 0.945 28 K CB 0.235 32.721 32.500 -0.022 0.000 0.732 28 K HN 0.090 nan 8.250 nan 0.000 0.451 29 V N -0.377 119.543 119.914 0.010 0.000 3.621 29 V HA 0.146 4.267 4.120 0.001 0.000 0.263 29 V C 0.243 176.334 176.094 -0.005 0.000 1.272 29 V CA -0.191 62.117 62.300 0.014 0.000 1.080 29 V CB -0.336 31.515 31.823 0.047 0.000 0.816 29 V HN 0.299 nan 8.190 nan 0.000 0.451 30 R N 0.365 120.852 120.500 -0.021 0.000 3.418 30 R HA -0.130 4.210 4.340 0.001 0.000 0.274 30 R C 0.689 176.973 176.300 -0.027 0.000 1.108 30 R CA 0.374 56.456 56.100 -0.030 0.000 0.741 30 R CB -1.717 28.570 30.300 -0.022 0.000 1.223 30 R HN 0.622 nan 8.270 nan 0.000 0.434 31 G N 0.522 109.302 108.800 -0.033 0.000 2.532 31 G HA2 0.524 4.485 3.960 0.001 0.000 0.291 31 G HA3 0.524 4.485 3.960 0.001 0.000 0.291 31 G C -2.318 172.553 174.900 -0.049 0.000 1.349 31 G CA -1.164 43.921 45.100 -0.026 0.000 1.038 31 G HN -0.076 nan 8.290 nan 0.000 0.518 32 P HA 0.134 nan 4.420 nan 0.000 0.257 32 P C 0.051 177.306 177.300 -0.074 0.000 1.269 32 P CA 0.171 63.250 63.100 -0.036 0.000 1.122 32 P CB 0.299 31.996 31.700 -0.005 0.000 1.285 33 S N 1.846 117.496 115.700 -0.083 0.000 2.568 33 S HA 0.226 4.696 4.470 0.001 0.000 0.282 33 S C 0.513 175.068 174.600 -0.074 0.000 1.338 33 S CA -0.440 57.691 58.200 -0.116 0.000 1.045 33 S CB 0.253 63.397 63.200 -0.094 0.000 0.873 33 S HN 0.062 nan 8.310 nan 0.000 0.516 34 V N 2.103 121.966 119.914 -0.085 0.000 3.284 34 V HA 0.799 4.919 4.120 0.001 0.000 0.309 34 V C -0.577 175.518 176.094 0.002 0.000 1.190 34 V CA -0.922 61.374 62.300 -0.007 0.000 1.038 34 V CB 1.931 33.777 31.823 0.039 0.000 1.198 34 V HN 0.902 nan 8.190 nan 0.000 0.465 35 S N -0.259 115.471 115.700 0.050 0.000 2.536 35 S HA 0.379 4.850 4.470 0.001 0.000 0.246 35 S C -0.607 174.047 174.600 0.090 0.000 1.077 35 S CA -0.770 57.458 58.200 0.047 0.000 1.091 35 S CB 0.330 63.547 63.200 0.029 0.000 1.148 35 S HN 1.080 nan 8.310 nan 0.000 0.447 36 c N 2.410 121.075 118.600 0.108 0.000 2.443 36 c HA 0.927 5.498 4.570 0.001 0.000 0.369 36 c C 0.384 174.535 174.090 0.101 0.000 1.241 36 c CA -1.001 55.421 56.329 0.155 0.000 2.413 36 c CB -0.728 41.897 42.510 0.193 0.000 2.451 36 c HN 1.000 nan 8.230 nan 0.000 0.595 37 I N -1.363 119.268 120.570 0.101 0.000 2.802 37 I HA 0.627 4.798 4.170 0.001 0.000 0.298 37 I C -0.607 175.542 176.117 0.054 0.000 1.176 37 I CA -0.889 60.446 61.300 0.059 0.000 1.025 37 I CB 1.554 39.574 38.000 0.034 0.000 1.243 37 I HN 0.551 nan 8.210 nan 0.000 0.424 38 R N 3.771 124.290 120.500 0.031 0.000 2.410 38 R HA 0.548 4.888 4.340 0.001 0.000 0.288 38 R C -0.891 175.401 176.300 -0.012 0.000 1.051 38 R CA -0.696 55.412 56.100 0.014 0.000 1.021 38 R CB 1.018 31.320 30.300 0.004 0.000 1.032 38 R HN 0.516 nan 8.270 nan 0.000 0.481 39 K N 1.129 121.509 120.400 -0.034 0.000 2.656 39 K HA 0.092 4.412 4.320 0.001 0.000 0.253 39 K C 0.748 177.281 176.600 -0.112 0.000 1.002 39 K CA -0.224 56.023 56.287 -0.068 0.000 0.880 39 K CB 1.581 34.037 32.500 -0.073 0.000 1.232 39 K HN 0.735 nan 8.250 nan 0.000 0.456 40 T N -1.025 113.451 114.554 -0.130 0.000 2.771 40 T HA -0.246 4.105 4.350 0.001 0.000 0.262 40 T C 0.954 175.504 174.700 -0.250 0.000 1.027 40 T CA 1.964 63.960 62.100 -0.173 0.000 1.159 40 T CB -0.289 68.481 68.868 -0.164 0.000 0.844 40 T HN 0.571 nan 8.240 nan 0.000 0.478 41 S N -0.974 114.501 115.700 -0.375 0.000 2.661 41 S HA 0.638 5.109 4.470 0.001 0.000 0.285 41 S C 1.069 175.458 174.600 -0.351 0.000 1.138 41 S CA -0.245 57.693 58.200 -0.437 0.000 0.855 41 S CB 1.927 64.603 63.200 -0.873 0.000 1.136 41 S HN 0.162 nan 8.310 nan 0.000 0.484 42 S N 1.093 116.678 115.700 -0.191 0.000 2.365 42 S HA -0.151 4.320 4.470 0.001 0.000 0.225 42 S C 1.619 176.181 174.600 -0.064 0.000 1.039 42 S CA 1.976 60.141 58.200 -0.060 0.000 1.033 42 S CB -1.131 62.104 63.200 0.058 0.000 0.887 42 S HN 0.910 nan 8.310 nan 0.000 0.447 43 F N 2.465 122.401 119.950 -0.023 0.000 2.186 43 F HA 0.141 4.668 4.527 0.001 0.000 0.299 43 F C 2.174 177.913 175.800 -0.102 0.000 1.090 43 F CA 1.081 59.041 58.000 -0.067 0.000 1.307 43 F CB -1.065 37.907 39.000 -0.046 0.000 1.019 43 F HN 0.179 nan 8.300 nan 0.000 0.489 44 E N -0.014 119.990 120.200 -0.327 0.000 2.106 44 E HA -0.135 4.216 4.350 0.001 0.000 0.192 44 E C 2.048 178.584 176.600 -0.106 0.000 0.984 44 E CA 1.519 57.831 56.400 -0.147 0.000 0.806 44 E CB -0.445 29.047 29.700 -0.347 0.000 0.750 44 E HN 0.488 nan 8.360 nan 0.000 0.458 45 c N 0.171 118.684 118.600 -0.145 0.000 2.435 45 c HA -0.015 4.556 4.570 0.001 0.000 0.279 45 c C 2.431 176.444 174.090 -0.128 0.000 1.321 45 c CA 0.167 56.424 56.329 -0.120 0.000 1.752 45 c CB -0.802 41.639 42.510 -0.117 0.000 1.959 45 c HN 0.518 nan 8.230 nan 0.000 0.500 46 I N 0.592 121.088 120.570 -0.123 0.000 2.127 46 I HA -0.324 3.846 4.170 0.001 0.000 0.241 46 I C 2.582 178.589 176.117 -0.184 0.000 1.075 46 I CA 1.796 63.002 61.300 -0.158 0.000 1.334 46 I CB -0.585 37.311 38.000 -0.173 0.000 1.040 46 I HN 0.441 nan 8.210 nan 0.000 0.405 47 Q N 0.674 120.359 119.800 -0.191 0.000 2.014 47 Q HA -0.244 4.096 4.340 0.001 0.000 0.207 47 Q C 2.387 178.350 176.000 -0.062 0.000 0.993 47 Q CA 2.366 58.085 55.803 -0.139 0.000 0.850 47 Q CB -0.560 28.142 28.738 -0.062 0.000 0.916 47 Q HN 0.588 nan 8.270 nan 0.000 0.417 48 A N 0.507 123.293 122.820 -0.057 0.000 1.873 48 A HA -0.255 4.066 4.320 0.001 0.000 0.218 48 A C 2.076 179.626 177.584 -0.056 0.000 1.193 48 A CA 1.818 53.829 52.037 -0.044 0.000 0.629 48 A CB -0.842 18.128 19.000 -0.049 0.000 0.826 48 A HN 0.320 nan 8.150 nan 0.000 0.447 49 I N -0.049 120.466 120.570 -0.092 0.000 2.145 49 I HA -0.305 3.865 4.170 0.001 0.000 0.244 49 I C 2.851 178.929 176.117 -0.065 0.000 1.075 49 I CA 1.731 62.967 61.300 -0.106 0.000 1.332 49 I CB -0.667 37.237 38.000 -0.160 0.000 1.033 49 I HN 0.353 nan 8.210 nan 0.000 0.410 50 A N -0.350 122.444 122.820 -0.045 0.000 1.903 50 A HA 0.241 4.561 4.320 0.001 0.000 0.213 50 A C 2.109 179.707 177.584 0.022 0.000 1.185 50 A CA 1.004 53.043 52.037 0.003 0.000 0.628 50 A CB -0.838 18.192 19.000 0.050 0.000 0.830 50 A HN 0.343 nan 8.150 nan 0.000 0.446 51 A N -0.242 122.594 122.820 0.026 0.000 2.503 51 A HA 0.244 4.564 4.320 0.001 0.000 0.263 51 A C 0.667 178.258 177.584 0.011 0.000 1.360 51 A CA 0.074 52.130 52.037 0.032 0.000 0.969 51 A CB -1.408 17.620 19.000 0.046 0.000 1.000 51 A HN 0.605 nan 8.150 nan 0.000 0.530 52 N N -0.477 118.222 118.700 -0.002 0.000 2.628 52 N HA -0.240 4.500 4.740 0.001 0.000 0.250 52 N C 1.062 176.567 175.510 -0.009 0.000 1.045 52 N CA 1.002 54.046 53.050 -0.011 0.000 0.782 52 N CB -0.237 38.246 38.487 -0.007 0.000 0.989 52 N HN 0.680 nan 8.380 nan 0.000 0.547 53 K N -0.445 119.950 120.400 -0.009 0.000 2.486 53 K HA 0.112 4.432 4.320 0.001 0.000 0.194 53 K C 0.563 177.157 176.600 -0.010 0.000 1.033 53 K CA 0.814 57.098 56.287 -0.005 0.000 1.004 53 K CB 0.242 32.741 32.500 -0.001 0.000 0.798 53 K HN 0.353 nan 8.250 nan 0.000 0.495 54 A N 0.176 122.981 122.820 -0.025 0.000 2.507 54 A HA 0.387 4.707 4.320 0.001 0.000 0.284 54 A C -0.856 176.694 177.584 -0.056 0.000 1.281 54 A CA -0.384 51.629 52.037 -0.041 0.000 0.744 54 A CB 0.995 19.955 19.000 -0.068 0.000 1.332 54 A HN 0.196 nan 8.150 nan 0.000 0.454 55 D N -1.945 118.402 120.400 -0.088 0.000 2.272 55 D HA 0.510 5.151 4.640 0.001 0.000 0.308 55 D C 0.196 176.403 176.300 -0.155 0.000 1.104 55 D CA 0.658 54.604 54.000 -0.091 0.000 0.939 55 D CB 0.725 41.496 40.800 -0.048 0.000 1.733 55 D HN 0.968 nan 8.370 nan 0.000 0.517 56 A N 0.377 123.037 122.820 -0.267 0.000 2.572 56 A HA 0.771 5.091 4.320 0.001 0.000 0.295 56 A C -1.128 175.870 177.584 -0.976 0.000 1.072 56 A CA -0.477 51.303 52.037 -0.429 0.000 0.691 56 A CB 1.780 20.610 19.000 -0.283 0.000 1.291 56 A HN 0.581 nan 8.150 nan 0.000 0.404 57 V N -2.189 117.123 119.914 -1.003 0.000 3.232 57 V HA 0.877 4.997 4.120 0.001 0.000 0.303 57 V C -0.442 175.284 176.094 -0.613 0.000 1.311 57 V CA -0.734 60.709 62.300 -1.427 0.000 1.061 57 V CB 1.225 32.597 31.823 -0.751 0.000 1.085 57 V HN 0.926 nan 8.190 nan 0.000 0.447 58 T N 2.912 117.419 114.554 -0.080 0.000 2.867 58 T HA 0.879 5.230 4.350 0.001 0.000 0.282 58 T C -0.536 174.257 174.700 0.155 0.000 1.000 58 T CA -0.310 61.885 62.100 0.158 0.000 1.042 58 T CB 0.932 69.911 68.868 0.184 0.000 0.973 58 T HN 0.742 nan 8.240 nan 0.000 0.465 59 L N 1.277 122.629 121.223 0.216 0.000 2.540 59 L HA 0.540 4.880 4.340 0.001 0.000 0.256 59 L C -0.537 176.465 176.870 0.221 0.000 1.001 59 L CA -1.321 53.654 54.840 0.226 0.000 0.843 59 L CB 1.695 43.823 42.059 0.116 0.000 1.436 59 L HN 0.525 nan 8.230 nan 0.000 0.410 60 D N 0.844 121.232 120.400 -0.020 0.000 2.345 60 D HA 0.088 4.729 4.640 0.001 0.000 0.247 60 D C 1.205 177.439 176.300 -0.111 0.000 1.108 60 D CA 0.519 54.194 54.000 -0.542 0.000 0.894 60 D CB 2.215 42.709 40.800 -0.511 0.000 1.203 60 D HN 0.682 nan 8.370 nan 0.000 0.430 61 G N 3.545 112.289 108.800 -0.094 0.000 2.728 61 G HA2 -0.388 3.572 3.960 0.001 0.000 0.224 61 G HA3 -0.388 3.572 3.960 0.001 0.000 0.224 61 G C 1.352 176.252 174.900 -0.000 0.000 1.139 61 G CA 1.536 46.564 45.100 -0.120 0.000 0.761 61 G HN 0.676 nan 8.290 nan 0.000 0.621 62 G N 0.610 109.506 108.800 0.161 0.000 2.514 62 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 62 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 62 G C 1.789 176.807 174.900 0.197 0.000 1.198 62 G CA 1.023 46.281 45.100 0.264 0.000 0.780 62 G HN 0.448 nan 8.290 nan 0.000 0.565 63 L N 0.253 121.562 121.223 0.144 0.000 2.187 63 L HA -0.057 4.283 4.340 0.001 0.000 0.213 63 L C 2.991 179.962 176.870 0.168 0.000 1.100 63 L CA 0.779 55.706 54.840 0.145 0.000 0.765 63 L CB -0.126 42.002 42.059 0.116 0.000 0.904 63 L HN 0.115 nan 8.230 nan 0.000 0.437 64 V N -1.339 118.673 119.914 0.162 0.000 2.261 64 V HA -0.362 3.758 4.120 0.001 0.000 0.246 64 V C 2.168 178.393 176.094 0.217 0.000 1.047 64 V CA 2.031 64.429 62.300 0.164 0.000 1.015 64 V CB -0.748 31.171 31.823 0.161 0.000 0.642 64 V HN 0.572 nan 8.190 nan 0.000 0.446 65 Y N 1.681 122.041 120.300 0.099 0.000 2.132 65 Y HA -0.316 4.235 4.550 0.001 0.000 0.280 65 Y C 2.450 178.421 175.900 0.119 0.000 1.193 65 Y CA 2.275 60.447 58.100 0.119 0.000 1.157 65 Y CB -0.274 38.289 38.460 0.171 0.000 0.966 65 Y HN 0.345 nan 8.280 nan 0.000 0.511 66 E N 0.257 120.736 120.200 0.465 0.000 2.046 66 E HA -0.099 4.251 4.350 0.001 0.000 0.190 66 E C 2.547 179.293 176.600 0.244 0.000 0.982 66 E CA 1.180 57.786 56.400 0.344 0.000 0.800 66 E CB -1.200 28.642 29.700 0.235 0.000 0.756 66 E HN 0.532 nan 8.360 nan 0.000 0.449 67 A N 1.024 123.948 122.820 0.174 0.000 1.948 67 A HA -0.111 4.210 4.320 0.001 0.000 0.220 67 A C 2.347 180.008 177.584 0.129 0.000 1.177 67 A CA 2.011 54.116 52.037 0.113 0.000 0.636 67 A CB -0.992 18.052 19.000 0.074 0.000 0.815 67 A HN 0.327 nan 8.150 nan 0.000 0.449 68 G N -1.624 107.244 108.800 0.114 0.000 2.985 68 G HA2 0.343 4.303 3.960 0.001 0.000 0.209 68 G HA3 0.343 4.303 3.960 0.001 0.000 0.209 68 G C 0.331 175.267 174.900 0.061 0.000 1.165 68 G CA -0.184 44.956 45.100 0.066 0.000 0.776 68 G HN 0.352 nan 8.290 nan 0.000 0.541 69 L N 1.440 122.741 121.223 0.129 0.000 2.418 69 L HA 0.219 4.560 4.340 0.001 0.000 0.274 69 L C 1.804 178.771 176.870 0.161 0.000 1.135 69 L CA -0.325 54.596 54.840 0.135 0.000 0.870 69 L CB 0.367 42.555 42.059 0.214 0.000 1.154 69 L HN 0.326 nan 8.230 nan 0.000 0.462 70 H N 6.176 125.240 119.070 -0.010 0.000 2.278 70 H HA -0.245 4.311 4.556 0.001 0.000 0.267 70 H C -0.952 174.304 175.328 -0.120 0.000 1.157 70 H CA 3.020 59.038 56.048 -0.051 0.000 1.192 70 H CB -1.304 28.423 29.762 -0.058 0.000 1.443 70 H HN 0.662 nan 8.280 nan 0.000 0.516 71 P HA -0.179 nan 4.420 nan 0.000 0.218 71 P C -0.462 176.429 177.300 -0.681 0.000 1.150 71 P CA 1.728 64.525 63.100 -0.506 0.000 0.841 71 P CB -0.187 31.038 31.700 -0.792 0.000 0.784 72 Y N -1.859 118.494 120.300 0.088 0.000 2.362 72 Y HA 0.466 5.017 4.550 0.001 0.000 0.326 72 Y C 0.163 176.088 175.900 0.042 0.000 1.083 72 Y CA -1.087 57.047 58.100 0.055 0.000 1.073 72 Y CB 1.533 40.020 38.460 0.045 0.000 1.211 72 Y HN -0.372 nan 8.280 nan 0.000 0.433 73 K N 4.969 125.456 120.400 0.146 0.000 2.404 73 K HA 0.610 4.931 4.320 0.001 0.000 0.257 73 K C -1.171 175.460 176.600 0.052 0.000 1.026 73 K CA -0.299 56.030 56.287 0.071 0.000 0.951 73 K CB 1.038 33.531 32.500 -0.013 0.000 1.203 73 K HN 0.604 nan 8.250 nan 0.000 0.446 74 L N 2.023 123.278 121.223 0.054 0.000 2.330 74 L HA 0.556 4.897 4.340 0.001 0.000 0.271 74 L C 0.200 177.072 176.870 0.002 0.000 1.013 74 L CA -1.153 53.700 54.840 0.021 0.000 0.816 74 L CB 1.657 43.725 42.059 0.016 0.000 1.287 74 L HN 0.379 nan 8.230 nan 0.000 0.435 75 R N 2.738 123.225 120.500 -0.021 0.000 2.294 75 R HA 0.323 4.664 4.340 0.001 0.000 0.319 75 R C -2.364 173.905 176.300 -0.051 0.000 0.984 75 R CA -1.744 54.333 56.100 -0.038 0.000 0.861 75 R CB 1.754 32.019 30.300 -0.057 0.000 1.104 75 R HN 0.286 nan 8.270 nan 0.000 0.451 76 P HA -0.049 nan 4.420 nan 0.000 0.257 76 P C 0.837 178.046 177.300 -0.152 0.000 1.269 76 P CA 0.187 63.235 63.100 -0.087 0.000 1.122 76 P CB 0.405 32.044 31.700 -0.102 0.000 1.285 77 V N 3.360 123.214 119.914 -0.101 0.000 2.216 77 V HA -0.080 4.040 4.120 0.001 0.000 0.242 77 V C 1.304 177.324 176.094 -0.123 0.000 1.042 77 V CA 2.443 64.682 62.300 -0.101 0.000 0.991 77 V CB -0.956 30.842 31.823 -0.042 0.000 0.633 77 V HN 0.673 nan 8.190 nan 0.000 0.449 78 A N -1.025 121.774 122.820 -0.035 0.000 2.442 78 A HA 0.784 5.105 4.320 0.001 0.000 0.284 78 A C -0.451 177.207 177.584 0.123 0.000 1.058 78 A CA 0.055 52.104 52.037 0.020 0.000 0.738 78 A CB 1.078 20.137 19.000 0.098 0.000 1.242 78 A HN 0.634 nan 8.150 nan 0.000 0.421 79 A N 2.049 124.913 122.820 0.073 0.000 2.351 79 A HA 0.598 4.918 4.320 0.001 0.000 0.257 79 A C 0.228 177.912 177.584 0.167 0.000 1.087 79 A CA -0.363 51.750 52.037 0.128 0.000 0.798 79 A CB 0.099 19.165 19.000 0.110 0.000 1.033 79 A HN 0.783 nan 8.150 nan 0.000 0.488 80 E N 0.595 120.822 120.200 0.045 0.000 2.316 80 E HA 0.326 4.676 4.350 0.001 0.000 0.275 80 E C -1.028 175.197 176.600 -0.624 0.000 1.029 80 E CA -0.369 55.915 56.400 -0.193 0.000 0.871 80 E CB 1.099 30.626 29.700 -0.288 0.000 1.022 80 E HN 0.281 nan 8.360 nan 0.000 0.418 81 V N 4.658 124.320 119.914 -0.421 0.000 2.383 81 V HA 0.168 4.288 4.120 0.001 0.000 0.275 81 V C -0.754 175.101 176.094 -0.398 0.000 1.036 81 V CA -0.456 61.622 62.300 -0.371 0.000 0.889 81 V CB -0.280 31.464 31.823 -0.132 0.000 0.985 81 V HN 0.500 nan 8.190 nan 0.000 0.459 82 Y N 2.307 122.578 120.300 -0.049 0.000 2.519 82 Y HA 0.551 5.102 4.550 0.001 0.000 0.324 82 Y C 0.499 176.370 175.900 -0.048 0.000 1.214 82 Y CA -1.617 56.443 58.100 -0.067 0.000 1.260 82 Y CB 0.672 39.106 38.460 -0.042 0.000 1.311 82 Y HN 0.722 nan 8.280 nan 0.000 0.505 83 Q N -0.964 118.918 119.800 0.136 0.000 2.432 83 Q HA 0.209 4.550 4.340 0.001 0.000 0.264 83 Q C -0.164 175.880 176.000 0.073 0.000 1.035 83 Q CA 0.435 56.274 55.803 0.060 0.000 0.908 83 Q CB 0.391 29.142 28.738 0.021 0.000 1.280 83 Q HN 0.736 nan 8.270 nan 0.000 0.455 84 T N 0.708 115.297 114.554 0.057 0.000 2.985 84 T HA 0.210 4.560 4.350 0.001 0.000 0.254 84 T C 0.132 174.868 174.700 0.061 0.000 1.021 84 T CA -0.014 62.132 62.100 0.077 0.000 0.957 84 T CB 0.071 68.987 68.868 0.079 0.000 1.047 84 T HN 0.679 nan 8.240 nan 0.000 0.511 85 R N 0.388 120.906 120.500 0.030 0.000 3.953 85 R HA -0.168 4.172 4.340 0.001 0.000 0.340 85 R C 0.457 176.766 176.300 0.015 0.000 1.195 85 R CA 1.002 57.109 56.100 0.011 0.000 0.929 85 R CB -1.629 28.669 30.300 -0.002 0.000 1.402 85 R HN 0.628 nan 8.270 nan 0.000 0.540 86 G N -0.570 108.248 108.800 0.029 0.000 3.453 86 G HA2 0.400 4.360 3.960 0.001 0.000 0.165 86 G HA3 0.400 4.360 3.960 0.001 0.000 0.165 86 G C -1.380 173.540 174.900 0.032 0.000 1.220 86 G CA -0.500 44.619 45.100 0.031 0.000 1.305 86 G HN 0.030 nan 8.290 nan 0.000 0.695 87 K N 2.688 123.111 120.400 0.038 0.000 2.425 87 K HA 0.481 4.801 4.320 0.001 0.000 0.259 87 K C -2.539 174.080 176.600 0.032 0.000 0.978 87 K CA -2.000 54.305 56.287 0.031 0.000 0.883 87 K CB 1.905 34.421 32.500 0.026 0.000 1.110 87 K HN 0.196 nan 8.250 nan 0.000 0.436 88 P HA -0.250 nan 4.420 nan 0.000 0.246 88 P C -0.662 176.641 177.300 0.006 0.000 1.092 88 P CA 0.651 63.764 63.100 0.022 0.000 0.795 88 P CB 0.489 32.194 31.700 0.009 0.000 0.700 89 Q N 1.836 121.651 119.800 0.024 0.000 2.572 89 Q HA 0.485 4.826 4.340 0.001 0.000 0.284 89 Q C 1.544 177.516 176.000 -0.046 0.000 1.091 89 Q CA -0.322 55.475 55.803 -0.009 0.000 0.840 89 Q CB 1.126 29.880 28.738 0.026 0.000 1.433 89 Q HN 0.429 nan 8.270 nan 0.000 0.471 90 T N -2.510 111.988 114.554 -0.093 0.000 3.045 90 T HA 0.219 4.570 4.350 0.001 0.000 0.239 90 T C 0.069 174.719 174.700 -0.084 0.000 1.008 90 T CA 0.017 62.015 62.100 -0.171 0.000 1.143 90 T CB 0.129 68.923 68.868 -0.123 0.000 0.894 90 T HN 0.361 nan 8.240 nan 0.000 0.451 91 R N 2.805 123.259 120.500 -0.076 0.000 2.474 91 R HA 0.158 4.498 4.340 0.001 0.000 0.339 91 R C -0.625 175.707 176.300 0.054 0.000 1.033 91 R CA -0.334 55.720 56.100 -0.076 0.000 0.997 91 R CB -0.311 29.925 30.300 -0.108 0.000 0.963 91 R HN 0.571 nan 8.270 nan 0.000 0.438 92 Y N 1.451 121.787 120.300 0.060 0.000 2.307 92 Y HA 0.277 4.828 4.550 0.001 0.000 0.324 92 Y C 0.001 175.846 175.900 -0.092 0.000 1.238 92 Y CA -2.013 56.091 58.100 0.007 0.000 1.280 92 Y CB -0.143 38.309 38.460 -0.015 0.000 1.248 92 Y HN 0.256 nan 8.280 nan 0.000 0.508 93 Y N 0.715 120.976 120.300 -0.065 0.000 2.334 93 Y HA 0.596 5.146 4.550 0.001 0.000 0.325 93 Y C 0.204 176.012 175.900 -0.154 0.000 1.308 93 Y CA -0.466 57.517 58.100 -0.194 0.000 1.389 93 Y CB 0.933 39.061 38.460 -0.554 0.000 1.328 93 Y HN 0.849 nan 8.280 nan 0.000 0.532 94 A N 1.286 124.263 122.820 0.262 0.000 2.343 94 A HA 0.792 5.113 4.320 0.001 0.000 0.308 94 A C -1.191 176.553 177.584 0.266 0.000 1.092 94 A CA -0.511 51.619 52.037 0.156 0.000 0.751 94 A CB 0.540 19.602 19.000 0.103 0.000 1.203 94 A HN 0.712 nan 8.150 nan 0.000 0.452 95 V N -1.653 118.347 119.914 0.145 0.000 3.181 95 V HA 0.995 5.115 4.120 0.001 0.000 0.308 95 V C -0.188 176.003 176.094 0.163 0.000 1.214 95 V CA -0.586 61.824 62.300 0.184 0.000 1.053 95 V CB 1.375 33.310 31.823 0.187 0.000 1.069 95 V HN 1.917 nan 8.190 nan 0.000 0.441 96 A N 1.290 124.221 122.820 0.185 0.000 2.330 96 A HA 0.847 5.168 4.320 0.001 0.000 0.313 96 A C -0.307 177.333 177.584 0.093 0.000 1.124 96 A CA -0.449 51.706 52.037 0.197 0.000 0.774 96 A CB 1.318 20.541 19.000 0.372 0.000 1.198 96 A HN 2.076 nan 8.150 nan 0.000 0.465 97 V N 1.301 121.208 119.914 -0.011 0.000 2.614 97 V HA 0.663 4.784 4.120 0.001 0.000 0.291 97 V C 0.195 176.270 176.094 -0.032 0.000 1.049 97 V CA -0.426 61.856 62.300 -0.030 0.000 1.038 97 V CB 0.313 32.071 31.823 -0.109 0.000 0.980 97 V HN 1.167 nan 8.190 nan 0.000 0.481 98 V N 1.021 120.962 119.914 0.044 0.000 2.888 98 V HA 0.555 4.675 4.120 0.001 0.000 0.309 98 V C -0.366 175.799 176.094 0.118 0.000 1.114 98 V CA -1.285 61.076 62.300 0.101 0.000 0.940 98 V CB 1.672 33.607 31.823 0.186 0.000 1.021 98 V HN 0.843 nan 8.190 nan 0.000 0.426 99 K N 2.601 123.048 120.400 0.078 0.000 2.378 99 K HA 0.275 4.596 4.320 0.001 0.000 0.288 99 K C -0.099 176.470 176.600 -0.052 0.000 1.057 99 K CA -0.219 56.103 56.287 0.058 0.000 0.971 99 K CB 0.630 33.129 32.500 -0.002 0.000 0.975 99 K HN 0.658 nan 8.250 nan 0.000 0.475 100 K N 1.096 121.465 120.400 -0.051 0.000 2.472 100 K HA -0.036 4.285 4.320 0.001 0.000 0.280 100 K C 1.034 177.556 176.600 -0.131 0.000 1.028 100 K CA 0.655 56.888 56.287 -0.090 0.000 1.045 100 K CB 0.399 32.840 32.500 -0.098 0.000 0.902 100 K HN 0.938 nan 8.250 nan 0.000 0.478 101 G N 1.388 110.096 108.800 -0.154 0.000 2.391 101 G HA2 -0.258 3.702 3.960 0.001 0.000 0.204 101 G HA3 -0.258 3.702 3.960 0.001 0.000 0.204 101 G C 1.156 175.908 174.900 -0.245 0.000 1.012 101 G CA 0.113 45.115 45.100 -0.163 0.000 0.651 101 G HN 0.501 nan 8.290 nan 0.000 0.494 102 S N 0.763 116.246 115.700 -0.362 0.000 2.406 102 S HA 0.269 4.739 4.470 0.001 0.000 0.228 102 S C 2.369 176.462 174.600 -0.845 0.000 1.020 102 S CA 1.615 59.390 58.200 -0.708 0.000 0.965 102 S CB -0.522 62.142 63.200 -0.894 0.000 0.798 102 S HN 2.089 nan 8.310 nan 0.000 0.488 103 G N 2.267 110.775 108.800 -0.486 0.000 2.271 103 G HA2 -0.326 3.634 3.960 0.001 0.000 0.277 103 G HA3 -0.326 3.634 3.960 0.001 0.000 0.277 103 G C 0.143 174.978 174.900 -0.109 0.000 1.004 103 G CA 0.991 45.942 45.100 -0.248 0.000 0.679 103 G HN 0.616 nan 8.290 nan 0.000 0.540 104 F N 0.785 120.736 119.950 0.002 0.000 2.516 104 F HA 0.593 5.120 4.527 0.001 0.000 0.351 104 F C 0.539 176.353 175.800 0.024 0.000 1.208 104 F CA -2.057 55.945 58.000 0.004 0.000 1.073 104 F CB -0.322 38.672 39.000 -0.010 0.000 1.203 104 F HN -0.004 nan 8.300 nan 0.000 0.602 105 Q N 3.303 123.250 119.800 0.245 0.000 2.304 105 Q HA -0.055 4.286 4.340 0.001 0.000 0.301 105 Q C 1.549 177.654 176.000 0.175 0.000 1.063 105 Q CA -0.015 55.897 55.803 0.182 0.000 0.947 105 Q CB 0.485 29.294 28.738 0.118 0.000 1.201 105 Q HN 0.922 nan 8.270 nan 0.000 0.389 106 L N 4.571 125.888 121.223 0.157 0.000 2.107 106 L HA -0.444 3.897 4.340 0.001 0.000 0.240 106 L C 1.691 178.660 176.870 0.165 0.000 1.115 106 L CA 2.923 57.842 54.840 0.132 0.000 0.840 106 L CB -1.142 40.979 42.059 0.104 0.000 0.935 106 L HN 0.934 nan 8.230 nan 0.000 0.449 107 N N -0.161 118.679 118.700 0.232 0.000 2.036 107 N HA -0.323 4.417 4.740 0.001 0.000 0.195 107 N C 1.712 177.336 175.510 0.190 0.000 1.037 107 N CA 2.027 55.301 53.050 0.372 0.000 0.855 107 N CB -1.006 37.643 38.487 0.269 0.000 1.033 107 N HN 0.789 nan 8.380 nan 0.000 0.423 108 Q N 0.006 119.874 119.800 0.113 0.000 2.486 108 Q HA 0.069 4.409 4.340 0.001 0.000 0.211 108 Q C 0.963 176.970 176.000 0.013 0.000 0.949 108 Q CA -0.114 55.727 55.803 0.063 0.000 0.998 108 Q CB -0.214 28.578 28.738 0.091 0.000 1.004 108 Q HN 0.296 nan 8.270 nan 0.000 0.531 109 L N 0.089 121.282 121.223 -0.051 0.000 2.446 109 L HA -0.010 4.330 4.340 0.001 0.000 0.219 109 L C 0.700 177.222 176.870 -0.580 0.000 1.116 109 L CA 0.500 55.164 54.840 -0.292 0.000 0.844 109 L CB 0.006 41.940 42.059 -0.209 0.000 0.970 109 L HN 0.282 nan 8.230 nan 0.000 0.457 110 Q N 1.056 120.507 119.800 -0.582 0.000 2.687 110 Q HA 0.134 4.474 4.340 0.001 0.000 0.341 110 Q C 0.945 176.531 176.000 -0.691 0.000 1.074 110 Q CA 1.078 56.328 55.803 -0.920 0.000 1.115 110 Q CB -0.374 28.125 28.738 -0.398 0.000 0.996 110 Q HN 0.367 nan 8.270 nan 0.000 0.397 111 G N 2.742 111.021 108.800 -0.867 0.000 2.314 111 G HA2 -0.157 3.803 3.960 0.001 0.000 0.292 111 G HA3 -0.157 3.803 3.960 0.001 0.000 0.292 111 G C -0.089 174.658 174.900 -0.255 0.000 1.059 111 G CA 0.232 45.065 45.100 -0.446 0.000 0.982 111 G HN 1.384 nan 8.290 nan 0.000 0.505 112 V N -3.950 115.807 119.914 -0.262 0.000 3.221 112 V HA 0.987 5.108 4.120 0.001 0.000 0.305 112 V C 0.264 176.376 176.094 0.031 0.000 1.263 112 V CA -1.553 60.685 62.300 -0.102 0.000 1.048 112 V CB 1.236 32.935 31.823 -0.206 0.000 1.203 112 V HN 0.223 nan 8.190 nan 0.000 0.476 113 K N 1.953 122.384 120.400 0.052 0.000 2.172 113 K HA 0.654 4.974 4.320 0.001 0.000 0.276 113 K C -0.324 176.302 176.600 0.043 0.000 1.013 113 K CA 0.169 56.498 56.287 0.071 0.000 0.913 113 K CB 1.291 33.813 32.500 0.036 0.000 1.055 113 K HN 0.968 nan 8.250 nan 0.000 0.461 114 S N 0.910 116.620 115.700 0.016 0.000 2.596 114 S HA 0.416 4.887 4.470 0.001 0.000 0.318 114 S C -0.385 173.972 174.600 -0.404 0.000 1.097 114 S CA -0.979 57.094 58.200 -0.212 0.000 1.080 114 S CB 0.362 63.314 63.200 -0.413 0.000 0.991 114 S HN 0.529 nan 8.310 nan 0.000 0.471 115 c N 4.985 123.234 118.600 -0.586 0.000 2.369 115 c HA 0.623 5.194 4.570 0.001 0.000 0.358 115 c C 0.342 173.977 174.090 -0.759 0.000 1.274 115 c CA -0.410 55.627 56.329 -0.486 0.000 1.935 115 c CB -0.676 41.585 42.510 -0.416 0.000 2.431 115 c HN 0.865 nan 8.230 nan 0.000 0.545 116 H N 0.869 119.941 119.070 0.003 0.000 2.797 116 H HA 0.287 4.843 4.556 0.001 0.000 0.372 116 H C 0.733 176.154 175.328 0.155 0.000 1.168 116 H CA -0.140 56.001 56.048 0.155 0.000 1.163 116 H CB 1.673 31.618 29.762 0.305 0.000 1.778 116 H HN 0.675 nan 8.280 nan 0.000 0.551 117 T N -1.099 113.634 114.554 0.298 0.000 3.088 117 T HA 0.321 4.672 4.350 0.001 0.000 0.259 117 T C 0.907 175.678 174.700 0.118 0.000 1.122 117 T CA 0.445 62.637 62.100 0.152 0.000 1.095 117 T CB 0.227 69.205 68.868 0.183 0.000 0.930 117 T HN 0.879 nan 8.240 nan 0.000 0.508 118 G N 0.593 109.541 108.800 0.248 0.000 2.352 118 G HA2 0.350 4.311 3.960 0.001 0.000 0.302 118 G HA3 0.350 4.311 3.960 0.001 0.000 0.302 118 G C -1.882 173.076 174.900 0.096 0.000 1.370 118 G CA -0.706 44.513 45.100 0.198 0.000 0.918 118 G HN 0.567 nan 8.290 nan 0.000 0.610 119 L N 1.186 122.354 121.223 -0.092 0.000 2.281 119 L HA 0.615 4.956 4.340 0.001 0.000 0.285 119 L C 1.412 178.049 176.870 -0.387 0.000 1.074 119 L CA 2.006 56.535 54.840 -0.517 0.000 0.817 119 L CB 0.807 42.569 42.059 -0.495 0.000 1.168 119 L HN 2.542 nan 8.230 nan 0.000 0.434 120 G N 3.358 111.825 108.800 -0.555 0.000 2.241 120 G HA2 -0.327 3.633 3.960 0.001 0.000 0.244 120 G HA3 -0.327 3.633 3.960 0.001 0.000 0.244 120 G C 0.685 175.657 174.900 0.119 0.000 0.998 120 G CA 0.331 45.347 45.100 -0.140 0.000 0.621 120 G HN 0.846 nan 8.290 nan 0.000 0.519 121 R N 1.195 121.798 120.500 0.172 0.000 2.827 121 R HA 0.530 4.871 4.340 0.001 0.000 0.269 121 R C 1.921 178.364 176.300 0.239 0.000 1.048 121 R CA 0.599 56.815 56.100 0.193 0.000 1.173 121 R CB 0.217 30.624 30.300 0.179 0.000 1.070 121 R HN 0.225 nan 8.270 nan 0.000 0.498 122 S N 1.714 117.557 115.700 0.239 0.000 2.532 122 S HA -0.286 4.185 4.470 0.001 0.000 0.254 122 S C 1.711 176.402 174.600 0.152 0.000 1.196 122 S CA 1.482 59.852 58.200 0.282 0.000 1.786 122 S CB -0.694 62.697 63.200 0.318 0.000 1.079 122 S HN 0.787 nan 8.310 nan 0.000 0.389 123 A N 0.843 123.704 122.820 0.068 0.000 2.067 123 A HA 0.145 4.466 4.320 0.001 0.000 0.219 123 A C 2.157 179.825 177.584 0.140 0.000 1.158 123 A CA 1.561 53.610 52.037 0.019 0.000 0.661 123 A CB -1.181 17.759 19.000 -0.100 0.000 0.801 123 A HN 0.623 nan 8.150 nan 0.000 0.452 124 G N -2.764 106.170 108.800 0.223 0.000 2.534 124 G HA2 0.005 3.966 3.960 0.001 0.000 0.217 124 G HA3 0.005 3.966 3.960 0.001 0.000 0.217 124 G C 1.022 176.190 174.900 0.447 0.000 1.128 124 G CA 1.077 46.397 45.100 0.368 0.000 0.784 124 G HN 0.660 nan 8.290 nan 0.000 0.542 125 W N -0.889 120.436 121.300 0.043 0.000 5.084 125 W HA 0.010 4.670 4.660 0.001 0.000 0.162 125 W C 1.170 177.592 176.519 -0.161 0.000 3.346 125 W CA 0.243 57.549 57.345 -0.064 0.000 1.743 125 W CB -0.755 28.671 29.460 -0.056 0.000 1.473 125 W HN 0.031 nan 8.180 nan 0.000 0.885 126 N N 1.921 120.726 118.700 0.175 0.000 2.096 126 N HA -0.216 4.525 4.740 0.001 0.000 0.195 126 N C 1.506 176.850 175.510 -0.277 0.000 1.017 126 N CA 2.697 55.727 53.050 -0.034 0.000 0.870 126 N CB -0.576 37.879 38.487 -0.052 0.000 1.024 126 N HN 0.145 nan 8.380 nan 0.000 0.434 127 I N 1.560 121.982 120.570 -0.248 0.000 2.162 127 I HA -0.113 4.058 4.170 0.001 0.000 0.238 127 I C -0.562 175.332 176.117 -0.371 0.000 1.076 127 I CA 1.077 62.205 61.300 -0.288 0.000 1.353 127 I CB -2.515 35.385 38.000 -0.167 0.000 1.063 127 I HN 0.065 nan 8.210 nan 0.000 0.408 128 P HA -0.182 nan 4.420 nan 0.000 0.208 128 P C 1.992 178.933 177.300 -0.599 0.000 1.189 128 P CA 1.711 64.415 63.100 -0.660 0.000 0.931 128 P CB -0.182 30.770 31.700 -1.246 0.000 0.783 129 I N 0.450 120.563 120.570 -0.763 0.000 2.227 129 I HA -0.247 3.924 4.170 0.001 0.000 0.250 129 I C 2.764 178.572 176.117 -0.515 0.000 1.087 129 I CA 2.264 63.141 61.300 -0.706 0.000 1.352 129 I CB -1.779 35.600 38.000 -1.036 0.000 1.043 129 I HN 0.071 nan 8.210 nan 0.000 0.425 130 G N -0.704 107.823 108.800 -0.455 0.000 2.418 130 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 130 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 130 G C 1.627 176.344 174.900 -0.304 0.000 1.158 130 G CA 1.489 46.391 45.100 -0.331 0.000 0.771 130 G HN 0.451 nan 8.290 nan 0.000 0.545 131 T N 1.169 115.527 114.554 -0.326 0.000 3.014 131 T HA 0.149 4.499 4.350 0.001 0.000 0.263 131 T C 2.039 176.486 174.700 -0.422 0.000 1.078 131 T CA 0.087 61.996 62.100 -0.319 0.000 1.135 131 T CB 0.028 68.735 68.868 -0.270 0.000 0.895 131 T HN 0.040 nan 8.240 nan 0.000 0.480 132 L N 1.453 122.431 121.223 -0.408 0.000 2.610 132 L HA 0.163 4.504 4.340 0.001 0.000 0.232 132 L C 2.492 179.060 176.870 -0.503 0.000 1.149 132 L CA 0.610 55.186 54.840 -0.440 0.000 0.872 132 L CB -0.757 41.158 42.059 -0.240 0.000 0.992 132 L HN 0.196 nan 8.230 nan 0.000 0.447 133 R N 2.169 122.423 120.500 -0.410 0.000 2.109 133 R HA -0.145 4.196 4.340 0.001 0.000 0.227 133 R C -0.595 175.584 176.300 -0.203 0.000 1.132 133 R CA 1.898 57.819 56.100 -0.297 0.000 0.907 133 R CB -1.767 28.418 30.300 -0.192 0.000 0.825 133 R HN 0.085 nan 8.270 nan 0.000 0.432 134 P HA -0.235 nan 4.420 nan 0.000 0.222 134 P C 0.782 178.226 177.300 0.240 0.000 1.155 134 P CA 1.704 64.833 63.100 0.048 0.000 0.890 134 P CB -0.249 31.496 31.700 0.075 0.000 0.790 135 Y N -1.548 118.636 120.300 -0.194 0.000 2.243 135 Y HA -0.011 4.540 4.550 0.001 0.000 0.293 135 Y C 2.399 178.079 175.900 -0.368 0.000 1.124 135 Y CA -0.155 57.814 58.100 -0.218 0.000 1.159 135 Y CB -1.780 36.578 38.460 -0.171 0.000 1.008 135 Y HN -0.112 nan 8.280 nan 0.000 0.527 136 L N 0.332 121.283 121.223 -0.454 0.000 2.085 136 L HA -0.334 4.006 4.340 0.001 0.000 0.218 136 L C 0.502 177.291 176.870 -0.135 0.000 1.080 136 L CA 1.983 56.506 54.840 -0.528 0.000 0.776 136 L CB -0.765 41.023 42.059 -0.452 0.000 0.891 136 L HN 0.405 nan 8.230 nan 0.000 0.437 137 N N -1.575 117.123 118.700 -0.003 0.000 2.643 137 N HA -0.227 4.514 4.740 0.001 0.000 0.267 137 N C -1.053 174.562 175.510 0.175 0.000 1.158 137 N CA 0.309 53.405 53.050 0.077 0.000 0.684 137 N CB -0.682 37.842 38.487 0.062 0.000 0.879 137 N HN 0.399 nan 8.380 nan 0.000 0.553 138 W N 2.391 123.665 121.300 -0.044 0.000 2.715 138 W HA 0.417 5.078 4.660 0.001 0.000 0.331 138 W C 1.011 177.519 176.519 -0.018 0.000 1.031 138 W CA -0.386 56.944 57.345 -0.026 0.000 1.237 138 W CB 0.691 30.128 29.460 -0.038 0.000 1.378 138 W HN 0.102 nan 8.180 nan 0.000 0.454 139 T N 3.226 117.654 114.554 -0.209 0.000 2.665 139 T HA 0.212 4.562 4.350 0.001 0.000 0.268 139 T C 0.753 175.094 174.700 -0.599 0.000 1.035 139 T CA 2.002 63.915 62.100 -0.312 0.000 1.151 139 T CB -0.503 68.224 68.868 -0.235 0.000 0.862 139 T HN 0.801 nan 8.240 nan 0.000 0.438 140 G N 0.034 108.083 108.800 -1.251 0.000 2.343 140 G HA2 0.279 4.240 3.960 0.001 0.000 0.289 140 G HA3 0.279 4.240 3.960 0.001 0.000 0.289 140 G C -2.505 171.463 174.900 -1.554 0.000 1.295 140 G CA -0.285 43.871 45.100 -1.573 0.000 0.869 140 G HN -0.170 nan 8.290 nan 0.000 0.522 141 P HA -0.055 nan 4.420 nan 0.000 0.217 141 P C -0.879 176.422 177.300 0.002 0.000 1.151 141 P CA 2.402 65.477 63.100 -0.043 0.000 0.849 141 P CB -0.746 30.966 31.700 0.020 0.000 0.787 142 P HA -0.135 nan 4.420 nan 0.000 0.217 142 P C 0.678 177.981 177.300 0.005 0.000 1.148 142 P CA 1.296 64.368 63.100 -0.047 0.000 0.828 142 P CB -0.219 31.428 31.700 -0.087 0.000 0.783 143 E N 1.511 121.712 120.200 0.002 0.000 2.109 143 E HA 0.252 4.602 4.350 0.001 0.000 0.278 143 E C -2.389 174.450 176.600 0.400 0.000 0.954 143 E CA -3.228 53.250 56.400 0.129 0.000 0.779 143 E CB 1.237 30.963 29.700 0.044 0.000 1.093 143 E HN 0.017 nan 8.360 nan 0.000 0.401 144 P HA -0.059 nan 4.420 nan 0.000 0.266 144 P C 0.835 178.402 177.300 0.444 0.000 1.215 144 P CA -0.305 63.036 63.100 0.402 0.000 0.763 144 P CB 0.764 32.599 31.700 0.224 0.000 0.806 145 L N 4.558 125.976 121.223 0.325 0.000 2.151 145 L HA -0.263 4.077 4.340 0.001 0.000 0.215 145 L C 2.303 179.030 176.870 -0.239 0.000 1.084 145 L CA 1.934 56.350 54.840 -0.705 0.000 0.764 145 L CB -1.279 40.310 42.059 -0.783 0.000 0.891 145 L HN 0.402 nan 8.230 nan 0.000 0.435 146 Q N -0.870 118.982 119.800 0.086 0.000 2.173 146 Q HA -0.304 4.037 4.340 0.001 0.000 0.208 146 Q C 2.230 178.356 176.000 0.211 0.000 0.989 146 Q CA 2.162 58.096 55.803 0.219 0.000 0.872 146 Q CB -0.320 28.623 28.738 0.343 0.000 0.909 146 Q HN 0.547 nan 8.270 nan 0.000 0.420 147 K N 0.039 120.620 120.400 0.301 0.000 2.243 147 K HA 0.038 4.359 4.320 0.001 0.000 0.201 147 K C 1.995 178.685 176.600 0.149 0.000 1.051 147 K CA 0.632 57.099 56.287 0.300 0.000 0.970 147 K CB 0.044 32.763 32.500 0.365 0.000 0.755 147 K HN 0.156 nan 8.250 nan 0.000 0.465 148 A N 0.707 123.565 122.820 0.064 0.000 1.972 148 A HA -0.083 4.237 4.320 0.001 0.000 0.219 148 A C 2.076 179.703 177.584 0.071 0.000 1.169 148 A CA 1.217 53.268 52.037 0.023 0.000 0.635 148 A CB -0.407 18.497 19.000 -0.160 0.000 0.810 148 A HN 0.125 nan 8.150 nan 0.000 0.446 149 V N -0.123 119.824 119.914 0.055 0.000 2.237 149 V HA -0.243 3.878 4.120 0.001 0.000 0.245 149 V C 3.068 179.397 176.094 0.392 0.000 1.046 149 V CA 2.003 64.434 62.300 0.219 0.000 1.007 149 V CB -1.418 30.425 31.823 0.034 0.000 0.638 149 V HN 0.594 nan 8.190 nan 0.000 0.445 150 A N 0.454 123.372 122.820 0.164 0.000 1.883 150 A HA -0.261 4.060 4.320 0.001 0.000 0.217 150 A C 1.992 179.693 177.584 0.195 0.000 1.186 150 A CA 2.234 54.359 52.037 0.147 0.000 0.624 150 A CB -0.906 18.088 19.000 -0.009 0.000 0.822 150 A HN 0.570 nan 8.150 nan 0.000 0.444 151 N N -1.517 117.288 118.700 0.174 0.000 2.430 151 N HA -0.116 4.624 4.740 0.001 0.000 0.186 151 N C 1.061 176.689 175.510 0.198 0.000 1.032 151 N CA 1.077 54.225 53.050 0.163 0.000 0.893 151 N CB -0.410 38.171 38.487 0.157 0.000 0.957 151 N HN 0.546 nan 8.380 nan 0.000 0.442 152 F N -0.439 119.522 119.950 0.018 0.000 2.343 152 F HA 0.285 4.812 4.527 0.001 0.000 0.286 152 F C -0.006 175.594 175.800 -0.333 0.000 1.057 152 F CA -0.098 57.801 58.000 -0.169 0.000 1.365 152 F CB 0.028 38.886 39.000 -0.237 0.000 1.114 152 F HN -0.266 nan 8.300 nan 0.000 0.545 153 F N 0.699 120.640 119.950 -0.014 0.000 2.420 153 F HA 0.253 4.781 4.527 0.001 0.000 0.342 153 F C 1.677 177.449 175.800 -0.047 0.000 1.113 153 F CA -0.500 57.441 58.000 -0.099 0.000 1.059 153 F CB 1.048 40.051 39.000 0.006 0.000 1.128 153 F HN -0.121 nan 8.300 nan 0.000 0.475 154 S N 1.440 117.177 115.700 0.061 0.000 2.402 154 S HA 0.098 4.568 4.470 0.001 0.000 0.233 154 S C 0.713 175.371 174.600 0.097 0.000 1.030 154 S CA 0.769 59.000 58.200 0.053 0.000 1.003 154 S CB -0.271 62.940 63.200 0.017 0.000 0.813 154 S HN 0.770 nan 8.310 nan 0.000 0.477 155 A N -0.131 122.775 122.820 0.143 0.000 2.606 155 A HA 0.764 5.084 4.320 0.001 0.000 0.293 155 A C -0.880 176.789 177.584 0.142 0.000 1.082 155 A CA -0.675 51.435 52.037 0.122 0.000 0.685 155 A CB 1.492 20.543 19.000 0.084 0.000 1.284 155 A HN 0.387 nan 8.150 nan 0.000 0.408 156 S N -0.747 115.020 115.700 0.111 0.000 2.537 156 S HA 0.508 4.978 4.470 0.001 0.000 0.271 156 S C -1.191 173.512 174.600 0.171 0.000 1.148 156 S CA -0.510 57.775 58.200 0.142 0.000 0.868 156 S CB 1.230 64.505 63.200 0.125 0.000 1.115 156 S HN 1.603 nan 8.310 nan 0.000 0.461 157 c N 3.320 122.072 118.600 0.253 0.000 2.301 157 c HA 0.734 5.304 4.570 0.001 0.000 0.313 157 c C -0.748 173.552 174.090 0.350 0.000 1.121 157 c CA -0.102 56.371 56.329 0.240 0.000 1.507 157 c CB -1.759 40.880 42.510 0.215 0.000 1.975 157 c HN 0.657 nan 8.230 nan 0.000 0.425 158 V N 8.743 128.799 119.914 0.237 0.000 2.349 158 V HA 0.373 4.493 4.120 0.001 0.000 0.284 158 V C -2.101 174.064 176.094 0.119 0.000 1.014 158 V CA -1.437 60.973 62.300 0.184 0.000 0.826 158 V CB 1.358 33.172 31.823 -0.016 0.000 1.009 158 V HN 0.646 nan 8.190 nan 0.000 0.431 159 P HA 0.086 nan 4.420 nan 0.000 0.269 159 P C 0.612 177.967 177.300 0.091 0.000 1.211 159 P CA 0.100 63.305 63.100 0.175 0.000 0.781 159 P CB 0.194 32.099 31.700 0.341 0.000 0.877 160 c N -0.932 117.719 118.600 0.084 0.000 4.331 160 c HA -0.063 4.507 4.570 0.001 0.000 0.293 160 c C 0.856 174.959 174.090 0.022 0.000 1.436 160 c CA -0.352 56.029 56.329 0.087 0.000 1.993 160 c CB -3.050 39.549 42.510 0.147 0.000 1.266 160 c HN 0.745 nan 8.230 nan 0.000 0.795 161 A N 0.096 122.921 122.820 0.007 0.000 2.331 161 A HA 0.543 4.864 4.320 0.001 0.000 0.283 161 A C 0.519 178.142 177.584 0.064 0.000 1.142 161 A CA 0.328 52.353 52.037 -0.019 0.000 0.812 161 A CB 0.319 19.298 19.000 -0.035 0.000 1.074 161 A HN 0.517 nan 8.150 nan 0.000 0.497 162 D N 2.903 123.377 120.400 0.124 0.000 2.597 162 D HA 0.142 4.783 4.640 0.001 0.000 0.228 162 D C 1.488 177.968 176.300 0.302 0.000 1.120 162 D CA 0.788 54.897 54.000 0.182 0.000 1.083 162 D CB -0.228 40.682 40.800 0.184 0.000 1.116 162 D HN 0.564 nan 8.370 nan 0.000 0.487 163 G N 2.237 111.146 108.800 0.182 0.000 2.459 163 G HA2 -0.299 3.662 3.960 0.001 0.000 0.217 163 G HA3 -0.299 3.662 3.960 0.001 0.000 0.217 163 G C 1.494 176.506 174.900 0.186 0.000 1.183 163 G CA 0.422 45.631 45.100 0.181 0.000 0.776 163 G HN 0.418 nan 8.290 nan 0.000 0.552 164 K N 0.082 120.548 120.400 0.111 0.000 2.281 164 K HA -0.088 4.233 4.320 0.001 0.000 0.203 164 K C 2.445 179.077 176.600 0.053 0.000 1.046 164 K CA 0.853 57.184 56.287 0.073 0.000 0.938 164 K CB -0.069 32.454 32.500 0.038 0.000 0.737 164 K HN 0.347 nan 8.250 nan 0.000 0.458 165 Q N 0.377 120.188 119.800 0.018 0.000 2.172 165 Q HA -0.138 4.202 4.340 0.001 0.000 0.200 165 Q C -0.188 175.726 176.000 -0.144 0.000 0.964 165 Q CA 1.172 56.840 55.803 -0.225 0.000 0.855 165 Q CB 0.508 28.862 28.738 -0.639 0.000 0.918 165 Q HN 0.469 nan 8.270 nan 0.000 0.444 166 Y N -4.761 115.562 120.300 0.037 0.000 3.190 166 Y HA 0.381 4.932 4.550 0.001 0.000 0.221 166 Y C -2.450 173.482 175.900 0.053 0.000 0.825 166 Y CA -3.251 54.878 58.100 0.048 0.000 1.133 166 Y CB -0.947 37.547 38.460 0.057 0.000 1.233 166 Y HN -0.117 nan 8.280 nan 0.000 0.640 167 P HA -0.437 nan 4.420 nan 0.000 0.229 167 P C 1.454 178.805 177.300 0.085 0.000 0.812 167 P CA 3.610 66.793 63.100 0.139 0.000 1.111 167 P CB 0.039 31.803 31.700 0.108 0.000 0.658 168 N N -1.698 117.043 118.700 0.070 0.000 2.307 168 N HA -0.252 4.488 4.740 0.001 0.000 0.201 168 N C 1.066 176.588 175.510 0.019 0.000 0.943 168 N CA 1.991 55.066 53.050 0.042 0.000 0.941 168 N CB -0.665 37.847 38.487 0.042 0.000 1.057 168 N HN 0.137 nan 8.380 nan 0.000 0.601 169 L N -1.757 119.441 121.223 -0.041 0.000 2.529 169 L HA 0.150 4.491 4.340 0.001 0.000 0.223 169 L C 1.501 178.390 176.870 0.032 0.000 1.113 169 L CA 0.359 55.181 54.840 -0.030 0.000 0.861 169 L CB 0.124 42.100 42.059 -0.139 0.000 1.012 169 L HN 0.275 nan 8.230 nan 0.000 0.461 170 c N -1.220 117.406 118.600 0.044 0.000 2.926 170 c HA 0.131 4.701 4.570 0.001 0.000 0.272 170 c C 2.747 176.881 174.090 0.074 0.000 1.249 170 c CA -0.372 55.997 56.329 0.066 0.000 1.691 170 c CB -0.605 41.943 42.510 0.062 0.000 1.983 170 c HN 0.491 nan 8.230 nan 0.000 0.615 171 R N 0.619 121.160 120.500 0.069 0.000 2.119 171 R HA -0.172 4.168 4.340 0.001 0.000 0.246 171 R C 1.460 177.809 176.300 0.082 0.000 1.146 171 R CA 1.531 57.672 56.100 0.070 0.000 0.962 171 R CB -0.221 30.119 30.300 0.066 0.000 0.863 171 R HN 0.334 nan 8.270 nan 0.000 0.442 172 L N -0.136 121.145 121.223 0.097 0.000 2.592 172 L HA 0.109 4.450 4.340 0.001 0.000 0.227 172 L C -0.469 176.509 176.870 0.181 0.000 1.127 172 L CA 0.467 55.379 54.840 0.119 0.000 0.884 172 L CB 0.353 42.470 42.059 0.096 0.000 1.065 172 L HN 0.191 nan 8.230 nan 0.000 0.457 173 c N 0.883 119.572 118.600 0.148 0.000 2.203 173 c HA 0.739 5.309 4.570 0.001 0.000 0.325 173 c C 1.237 175.362 174.090 0.059 0.000 1.156 173 c CA -1.570 54.842 56.329 0.139 0.000 1.597 173 c CB -0.667 41.912 42.510 0.115 0.000 2.148 173 c HN 0.507 nan 8.230 nan 0.000 0.472 174 A N 3.193 126.017 122.820 0.008 0.000 2.407 174 A HA 0.712 5.032 4.320 0.001 0.000 0.257 174 A C 0.727 178.272 177.584 -0.067 0.000 1.131 174 A CA 0.779 52.789 52.037 -0.045 0.000 0.803 174 A CB -0.263 18.665 19.000 -0.120 0.000 1.083 174 A HN 1.802 nan 8.150 nan 0.000 0.512 175 G N -2.274 106.491 108.800 -0.057 0.000 2.352 175 G HA2 0.472 4.432 3.960 0.001 0.000 0.302 175 G HA3 0.472 4.432 3.960 0.001 0.000 0.302 175 G C -0.300 174.579 174.900 -0.035 0.000 1.370 175 G CA -0.098 44.970 45.100 -0.055 0.000 0.918 175 G HN 1.086 nan 8.290 nan 0.000 0.610 176 T N 0.341 114.873 114.554 -0.037 0.000 2.895 176 T HA 0.246 4.596 4.350 0.001 0.000 0.386 176 T C 1.529 176.219 174.700 -0.016 0.000 1.112 176 T CA 0.573 62.657 62.100 -0.026 0.000 1.070 176 T CB 0.368 69.218 68.868 -0.030 0.000 1.319 176 T HN 0.555 nan 8.240 nan 0.000 0.519 177 E N 0.582 120.775 120.200 -0.011 0.000 2.004 177 E HA -0.015 4.335 4.350 0.001 0.000 0.192 177 E C 2.558 179.155 176.600 -0.005 0.000 0.987 177 E CA 1.206 57.604 56.400 -0.004 0.000 0.822 177 E CB -1.191 28.508 29.700 -0.002 0.000 0.779 177 E HN 0.613 nan 8.360 nan 0.000 0.458 178 A N 2.910 125.725 122.820 -0.009 0.000 1.842 178 A HA -0.224 4.096 4.320 0.001 0.000 0.217 178 A C 1.772 179.345 177.584 -0.018 0.000 1.206 178 A CA 2.317 54.347 52.037 -0.011 0.000 0.630 178 A CB -0.941 18.049 19.000 -0.016 0.000 0.839 178 A HN 0.180 nan 8.150 nan 0.000 0.447 179 D N -0.199 120.182 120.400 -0.032 0.000 2.354 179 D HA -0.118 4.522 4.640 0.001 0.000 0.216 179 D C 1.373 177.646 176.300 -0.043 0.000 0.970 179 D CA 1.073 55.044 54.000 -0.049 0.000 0.905 179 D CB -0.343 40.418 40.800 -0.064 0.000 0.903 179 D HN 0.625 nan 8.370 nan 0.000 0.508 180 K N 0.290 120.675 120.400 -0.025 0.000 2.384 180 K HA -0.217 4.104 4.320 0.001 0.000 0.230 180 K C 0.805 177.398 176.600 -0.011 0.000 0.752 180 K CA 1.789 58.067 56.287 -0.015 0.000 0.942 180 K CB -0.344 32.154 32.500 -0.003 0.000 0.457 180 K HN 0.145 nan 8.250 nan 0.000 0.903 181 c N 1.440 120.047 118.600 0.012 0.000 2.271 181 c HA 0.471 5.041 4.570 0.001 0.000 0.364 181 c C -0.083 174.016 174.090 0.015 0.000 1.337 181 c CA -0.729 55.618 56.329 0.030 0.000 1.753 181 c CB -1.909 40.630 42.510 0.049 0.000 2.123 181 c HN 0.430 nan 8.230 nan 0.000 0.577 182 A N 0.008 122.813 122.820 -0.024 0.000 2.350 182 A HA 0.264 4.585 4.320 0.001 0.000 0.293 182 A C 0.628 178.152 177.584 -0.100 0.000 1.231 182 A CA -0.001 52.008 52.037 -0.047 0.000 0.883 182 A CB -0.254 18.708 19.000 -0.064 0.000 1.133 182 A HN 0.683 nan 8.150 nan 0.000 0.533 183 c N 4.697 123.259 118.600 -0.064 0.000 2.637 183 c HA 0.346 4.916 4.570 0.001 0.000 0.403 183 c C 1.051 174.989 174.090 -0.254 0.000 1.361 183 c CA 1.103 57.383 56.329 -0.081 0.000 1.339 183 c CB -3.085 39.417 42.510 -0.012 0.000 2.293 183 c HN 1.217 nan 8.230 nan 0.000 0.620 184 S N 1.808 117.174 115.700 -0.557 0.000 2.683 184 S HA 0.222 4.692 4.470 0.001 0.000 0.264 184 S C 0.078 173.886 174.600 -1.320 0.000 1.066 184 S CA -0.273 57.460 58.200 -0.778 0.000 0.846 184 S CB 0.548 63.520 63.200 -0.379 0.000 1.114 184 S HN 0.360 nan 8.310 nan 0.000 0.476 185 S N 0.571 115.675 115.700 -0.993 0.000 2.660 185 S HA 0.073 4.544 4.470 0.001 0.000 0.223 185 S C 1.162 175.586 174.600 -0.292 0.000 0.963 185 S CA 0.054 57.898 58.200 -0.593 0.000 0.932 185 S CB -0.325 62.793 63.200 -0.138 0.000 0.775 185 S HN 0.529 nan 8.310 nan 0.000 0.531 186 Q N 1.513 121.130 119.800 -0.305 0.000 2.515 186 Q HA 0.088 4.428 4.340 0.001 0.000 0.214 186 Q C 0.224 176.128 176.000 -0.161 0.000 0.971 186 Q CA 0.525 56.220 55.803 -0.180 0.000 0.952 186 Q CB -0.036 28.607 28.738 -0.158 0.000 0.999 186 Q HN 0.613 nan 8.270 nan 0.000 0.524 187 E N -0.996 119.085 120.200 -0.199 0.000 2.246 187 E HA 0.319 4.669 4.350 0.001 0.000 0.266 187 E C -2.444 174.117 176.600 -0.064 0.000 0.880 187 E CA -2.137 54.190 56.400 -0.122 0.000 0.762 187 E CB 1.951 31.605 29.700 -0.077 0.000 1.180 187 E HN -0.208 nan 8.360 nan 0.000 0.416 188 P HA -0.119 nan 4.420 nan 0.000 0.198 188 P C -0.241 177.112 177.300 0.090 0.000 1.043 188 P CA 1.087 64.114 63.100 -0.122 0.000 0.892 188 P CB -0.170 31.232 31.700 -0.498 0.000 0.701 189 Y N 0.213 120.600 120.300 0.144 0.000 2.610 189 Y HA 0.170 4.720 4.550 0.001 0.000 0.344 189 Y C 0.539 176.568 175.900 0.215 0.000 1.249 189 Y CA -0.049 58.134 58.100 0.138 0.000 1.909 189 Y CB -2.228 36.274 38.460 0.070 0.000 1.758 189 Y HN -0.023 nan 8.280 nan 0.000 0.416 190 F N -0.241 119.819 119.950 0.184 0.000 2.643 190 F HA 0.795 5.322 4.527 0.001 0.000 0.314 190 F C 0.632 176.508 175.800 0.126 0.000 1.096 190 F CA -0.400 57.679 58.000 0.132 0.000 0.953 190 F CB 1.248 40.290 39.000 0.069 0.000 1.345 190 F HN 0.523 nan 8.300 nan 0.000 0.468 191 G N 2.399 110.492 108.800 -1.179 0.000 2.591 191 G HA2 -0.357 3.604 3.960 0.001 0.000 0.278 191 G HA3 -0.357 3.604 3.960 0.001 0.000 0.278 191 G C -0.200 174.602 174.900 -0.163 0.000 1.293 191 G CA 0.668 45.226 45.100 -0.904 0.000 0.930 191 G HN 0.882 nan 8.290 nan 0.000 0.562 192 Y N 0.910 121.116 120.300 -0.158 0.000 2.201 192 Y HA 0.058 4.609 4.550 0.001 0.000 0.274 192 Y C 3.446 179.340 175.900 -0.009 0.000 1.085 192 Y CA 1.732 59.787 58.100 -0.075 0.000 1.079 192 Y CB -1.530 36.871 38.460 -0.098 0.000 1.017 192 Y HN 0.676 nan 8.280 nan 0.000 0.480 193 S N -0.016 115.776 115.700 0.152 0.000 2.407 193 S HA -0.206 4.264 4.470 0.001 0.000 0.235 193 S C 2.228 176.948 174.600 0.200 0.000 1.036 193 S CA 1.297 59.560 58.200 0.106 0.000 1.013 193 S CB -1.338 61.895 63.200 0.055 0.000 0.820 193 S HN 0.532 nan 8.310 nan 0.000 0.476 194 G N 1.724 110.645 108.800 0.201 0.000 2.456 194 G HA2 0.190 4.150 3.960 0.001 0.000 0.213 194 G HA3 0.190 4.150 3.960 0.001 0.000 0.213 194 G C 1.707 176.827 174.900 0.368 0.000 1.215 194 G CA 0.685 45.960 45.100 0.292 0.000 0.805 194 G HN 0.705 nan 8.290 nan 0.000 0.537 195 A N 0.490 123.466 122.820 0.259 0.000 1.927 195 A HA -0.110 4.210 4.320 0.001 0.000 0.220 195 A C 2.186 179.799 177.584 0.048 0.000 1.185 195 A CA 1.946 54.088 52.037 0.175 0.000 0.639 195 A CB -0.743 18.305 19.000 0.080 0.000 0.820 195 A HN 0.486 nan 8.150 nan 0.000 0.451 196 F N 0.971 120.894 119.950 -0.046 0.000 2.063 196 F HA -0.295 4.232 4.527 0.001 0.000 0.298 196 F C 2.181 177.881 175.800 -0.167 0.000 1.109 196 F CA 2.469 60.391 58.000 -0.130 0.000 1.212 196 F CB -0.074 38.871 39.000 -0.091 0.000 0.973 196 F HN 0.068 nan 8.300 nan 0.000 0.480 197 K N 0.388 120.876 120.400 0.148 0.000 2.044 197 K HA -0.277 4.044 4.320 0.001 0.000 0.210 197 K C 2.396 178.732 176.600 -0.439 0.000 1.049 197 K CA 1.383 57.700 56.287 0.050 0.000 0.927 197 K CB -1.786 30.956 32.500 0.405 0.000 0.713 197 K HN 0.552 nan 8.250 nan 0.000 0.443 198 c N 1.426 119.324 118.600 -1.170 0.000 2.294 198 c HA -0.256 4.315 4.570 0.001 0.000 0.265 198 c C 2.658 176.224 174.090 -0.873 0.000 1.115 198 c CA 1.516 56.578 56.329 -2.111 0.000 1.809 198 c CB -1.207 40.511 42.510 -1.320 0.000 2.010 198 c HN 0.532 nan 8.230 nan 0.000 0.425 199 L N 1.300 122.138 121.223 -0.641 0.000 1.951 199 L HA -0.210 4.131 4.340 0.001 0.000 0.222 199 L C 2.457 179.131 176.870 -0.326 0.000 1.078 199 L CA 2.775 57.344 54.840 -0.451 0.000 0.778 199 L CB -1.518 40.220 42.059 -0.536 0.000 0.893 199 L HN 0.521 nan 8.230 nan 0.000 0.436 200 E N -0.367 119.618 120.200 -0.358 0.000 2.187 200 E HA -0.278 4.072 4.350 0.001 0.000 0.199 200 E C 1.531 178.075 176.600 -0.093 0.000 1.004 200 E CA 1.699 58.001 56.400 -0.164 0.000 0.813 200 E CB -0.497 29.127 29.700 -0.127 0.000 0.736 200 E HN 0.724 nan 8.360 nan 0.000 0.468 201 N N -0.346 118.280 118.700 -0.125 0.000 2.515 201 N HA 0.030 4.771 4.740 0.001 0.000 0.191 201 N C 1.014 176.503 175.510 -0.035 0.000 1.182 201 N CA 0.042 53.068 53.050 -0.039 0.000 0.879 201 N CB 0.590 39.098 38.487 0.034 0.000 0.984 201 N HN 0.252 nan 8.380 nan 0.000 0.453 202 G N 1.438 110.199 108.800 -0.065 0.000 5.064 202 G HA2 -0.446 3.515 3.960 0.001 0.000 0.277 202 G HA3 -0.446 3.515 3.960 0.001 0.000 0.277 202 G C 1.159 176.032 174.900 -0.044 0.000 1.580 202 G CA 0.141 45.218 45.100 -0.037 0.000 1.109 202 G HN 0.359 nan 8.290 nan 0.000 0.695 203 A N 1.347 124.153 122.820 -0.024 0.000 2.054 203 A HA 0.306 4.627 4.320 0.001 0.000 0.223 203 A C 2.005 179.547 177.584 -0.070 0.000 1.169 203 A CA 2.519 54.547 52.037 -0.014 0.000 0.655 203 A CB -1.019 18.002 19.000 0.035 0.000 0.812 203 A HN 2.195 nan 8.150 nan 0.000 0.462 204 G N -1.135 107.566 108.800 -0.165 0.000 2.351 204 G HA2 0.387 4.348 3.960 0.001 0.000 0.287 204 G HA3 0.387 4.348 3.960 0.001 0.000 0.287 204 G C -0.070 174.740 174.900 -0.149 0.000 1.159 204 G CA 0.070 45.025 45.100 -0.241 0.000 0.929 204 G HN 0.198 nan 8.290 nan 0.000 0.435 205 D N 0.637 120.985 120.400 -0.087 0.000 2.394 205 D HA 0.132 4.772 4.640 0.001 0.000 0.226 205 D C 0.527 176.877 176.300 0.084 0.000 0.990 205 D CA 0.595 54.630 54.000 0.059 0.000 0.902 205 D CB 0.846 41.749 40.800 0.173 0.000 1.038 205 D HN 0.288 nan 8.370 nan 0.000 0.499 206 V N -0.657 119.199 119.914 -0.096 0.000 3.077 206 V HA 0.764 4.885 4.120 0.001 0.000 0.299 206 V C -1.858 173.916 176.094 -0.532 0.000 1.276 206 V CA -0.294 61.900 62.300 -0.177 0.000 0.993 206 V CB 1.732 33.519 31.823 -0.060 0.000 1.076 206 V HN 0.091 nan 8.190 nan 0.000 0.434 207 A N 4.326 126.736 122.820 -0.684 0.000 2.593 207 A HA 1.010 5.330 4.320 0.001 0.000 0.290 207 A C -1.868 175.098 177.584 -1.030 0.000 1.126 207 A CA -0.540 50.770 52.037 -1.211 0.000 0.695 207 A CB 1.885 20.471 19.000 -0.690 0.000 1.290 207 A HN 1.232 nan 8.150 nan 0.000 0.414 208 F N 0.163 120.046 119.950 -0.111 0.000 2.539 208 F HA 0.647 5.175 4.527 0.001 0.000 0.328 208 F C 0.031 175.772 175.800 -0.099 0.000 1.148 208 F CA -0.925 57.026 58.000 -0.082 0.000 0.940 208 F CB 1.581 40.535 39.000 -0.077 0.000 1.194 208 F HN 0.579 nan 8.300 nan 0.000 0.438 209 V N -1.376 118.503 119.914 -0.058 0.000 3.182 209 V HA 0.564 4.684 4.120 0.001 0.000 0.308 209 V C -0.330 175.528 176.094 -0.393 0.000 1.240 209 V CA -1.698 60.478 62.300 -0.207 0.000 1.063 209 V CB 1.726 33.484 31.823 -0.108 0.000 1.076 209 V HN 0.668 nan 8.190 nan 0.000 0.446 210 K N 1.861 121.783 120.400 -0.796 0.000 2.550 210 K HA -0.016 4.304 4.320 0.001 0.000 0.280 210 K C 0.109 176.409 176.600 -0.499 0.000 0.987 210 K CA 0.732 56.516 56.287 -0.837 0.000 1.048 210 K CB 0.208 32.084 32.500 -1.040 0.000 0.879 210 K HN 1.047 nan 8.250 nan 0.000 0.491 211 D N 2.488 122.541 120.400 -0.578 0.000 2.826 211 D HA -0.058 4.583 4.640 0.001 0.000 0.229 211 D C 0.407 176.151 176.300 -0.927 0.000 1.091 211 D CA 0.272 53.755 54.000 -0.861 0.000 1.061 211 D CB -0.178 39.740 40.800 -1.470 0.000 1.155 211 D HN 0.493 nan 8.370 nan 0.000 0.450 212 S N -2.212 113.269 115.700 -0.364 0.000 3.294 212 S HA -0.143 4.328 4.470 0.001 0.000 0.195 212 S C 1.564 176.226 174.600 0.103 0.000 0.943 212 S CA 0.332 58.394 58.200 -0.230 0.000 1.266 212 S CB -0.699 62.288 63.200 -0.355 0.000 1.152 212 S HN 0.122 nan 8.310 nan 0.000 0.386 213 T N 3.497 117.989 114.554 -0.103 0.000 2.731 213 T HA -0.252 4.098 4.350 0.001 0.000 0.259 213 T C 1.687 176.168 174.700 -0.366 0.000 1.054 213 T CA 2.529 64.531 62.100 -0.162 0.000 1.158 213 T CB -1.048 67.741 68.868 -0.131 0.000 0.847 213 T HN 0.415 nan 8.240 nan 0.000 0.470 214 V N 0.613 120.386 119.914 -0.234 0.000 2.223 214 V HA -0.140 3.981 4.120 0.001 0.000 0.244 214 V C 2.084 177.990 176.094 -0.312 0.000 1.045 214 V CA 2.151 64.166 62.300 -0.475 0.000 1.000 214 V CB -0.931 30.772 31.823 -0.200 0.000 0.635 214 V HN 0.420 nan 8.190 nan 0.000 0.445 215 F N 0.703 120.556 119.950 -0.162 0.000 2.111 215 F HA -0.261 4.266 4.527 0.001 0.000 0.300 215 F C 2.405 178.119 175.800 -0.143 0.000 1.088 215 F CA 2.048 59.993 58.000 -0.091 0.000 1.243 215 F CB -0.987 37.995 39.000 -0.028 0.000 0.996 215 F HN 0.224 nan 8.300 nan 0.000 0.483 216 E N 0.087 120.309 120.200 0.036 0.000 2.033 216 E HA -0.254 4.097 4.350 0.001 0.000 0.199 216 E C 1.644 178.159 176.600 -0.142 0.000 1.011 216 E CA 1.842 58.200 56.400 -0.070 0.000 0.815 216 E CB -0.418 29.216 29.700 -0.109 0.000 0.755 216 E HN 0.421 nan 8.360 nan 0.000 0.451 217 N N -0.324 118.177 118.700 -0.332 0.000 2.461 217 N HA 0.070 4.811 4.740 0.001 0.000 0.188 217 N C -0.531 174.860 175.510 -0.199 0.000 1.134 217 N CA 0.425 53.267 53.050 -0.347 0.000 0.878 217 N CB 0.388 38.449 38.487 -0.709 0.000 0.972 217 N HN 0.006 nan 8.380 nan 0.000 0.456 218 L N 1.088 122.223 121.223 -0.147 0.000 2.427 218 L HA 0.363 4.704 4.340 0.001 0.000 0.264 218 L C -2.028 174.834 176.870 -0.013 0.000 0.989 218 L CA -1.201 53.614 54.840 -0.041 0.000 0.865 218 L CB 2.621 44.678 42.059 -0.003 0.000 1.209 218 L HN -0.119 nan 8.230 nan 0.000 0.430 219 P HA 0.093 nan 4.420 nan 0.000 0.256 219 P C -0.831 176.478 177.300 0.014 0.000 1.384 219 P CA 0.072 63.180 63.100 0.013 0.000 0.879 219 P CB 0.410 32.117 31.700 0.013 0.000 1.403 220 D N 0.805 121.214 120.400 0.014 0.000 2.440 220 D HA 0.053 4.694 4.640 0.001 0.000 0.252 220 D C 0.772 177.074 176.300 0.003 0.000 1.180 220 D CA -0.419 53.588 54.000 0.011 0.000 0.894 220 D CB 1.724 42.534 40.800 0.017 0.000 1.111 220 D HN 0.001 nan 8.370 nan 0.000 0.544 221 E N 1.764 121.961 120.200 -0.005 0.000 2.273 221 E HA -0.224 4.127 4.350 0.001 0.000 0.198 221 E C 1.513 178.098 176.600 -0.024 0.000 1.002 221 E CA 0.692 57.081 56.400 -0.018 0.000 0.828 221 E CB 0.346 30.039 29.700 -0.012 0.000 0.747 221 E HN 0.545 nan 8.360 nan 0.000 0.491 222 A N 0.702 123.510 122.820 -0.021 0.000 1.930 222 A HA -0.093 4.227 4.320 0.001 0.000 0.215 222 A C 1.897 179.454 177.584 -0.046 0.000 1.176 222 A CA 0.771 52.787 52.037 -0.034 0.000 0.632 222 A CB -0.024 18.959 19.000 -0.028 0.000 0.819 222 A HN 0.076 nan 8.150 nan 0.000 0.445 223 E N -0.098 120.094 120.200 -0.014 0.000 2.299 223 E HA -0.014 4.336 4.350 0.001 0.000 0.193 223 E C 2.121 178.764 176.600 0.071 0.000 0.998 223 E CA 0.322 56.728 56.400 0.010 0.000 0.851 223 E CB -0.144 29.594 29.700 0.063 0.000 0.795 223 E HN 0.590 nan 8.360 nan 0.000 0.492 224 R N 0.604 121.135 120.500 0.050 0.000 2.055 224 R HA -0.088 4.253 4.340 0.001 0.000 0.228 224 R C 1.991 178.315 176.300 0.040 0.000 1.143 224 R CA 1.401 57.546 56.100 0.075 0.000 0.945 224 R CB -0.373 29.888 30.300 -0.065 0.000 0.841 224 R HN 0.053 nan 8.270 nan 0.000 0.429 225 D N 0.927 121.299 120.400 -0.047 0.000 2.292 225 D HA -0.179 4.462 4.640 0.001 0.000 0.205 225 D C 1.172 177.372 176.300 -0.167 0.000 0.994 225 D CA 1.210 55.163 54.000 -0.079 0.000 0.897 225 D CB 0.087 40.843 40.800 -0.073 0.000 0.907 225 D HN 0.048 nan 8.370 nan 0.000 0.467 226 K N -1.029 119.186 120.400 -0.309 0.000 2.589 226 K HA -0.098 4.222 4.320 0.001 0.000 0.195 226 K C -0.447 175.504 176.600 -1.082 0.000 1.040 226 K CA 0.462 56.332 56.287 -0.696 0.000 0.950 226 K CB 0.052 31.973 32.500 -0.965 0.000 0.781 226 K HN 0.338 nan 8.250 nan 0.000 0.486 227 Y N -0.826 119.442 120.300 -0.053 0.000 2.605 227 Y HA 0.422 4.972 4.550 0.001 0.000 0.343 227 Y C -0.207 175.670 175.900 -0.037 0.000 1.036 227 Y CA -1.312 56.760 58.100 -0.047 0.000 1.065 227 Y CB 1.774 40.213 38.460 -0.034 0.000 1.288 227 Y HN -0.187 nan 8.280 nan 0.000 0.481 228 E N 0.270 120.574 120.200 0.173 0.000 2.446 228 E HA 0.732 5.083 4.350 0.001 0.000 0.276 228 E C -1.970 174.699 176.600 0.115 0.000 0.969 228 E CA -0.686 55.773 56.400 0.098 0.000 0.800 228 E CB 2.304 32.035 29.700 0.053 0.000 1.341 228 E HN 0.570 nan 8.360 nan 0.000 0.460 229 L N 1.809 123.095 121.223 0.105 0.000 2.341 229 L HA 0.522 4.863 4.340 0.001 0.000 0.267 229 L C -0.946 175.998 176.870 0.123 0.000 1.009 229 L CA -1.020 53.894 54.840 0.123 0.000 0.819 229 L CB 1.555 43.699 42.059 0.141 0.000 1.323 229 L HN 0.429 nan 8.230 nan 0.000 0.425 230 L N 1.770 123.076 121.223 0.139 0.000 2.264 230 L HA 0.478 4.818 4.340 0.001 0.000 0.289 230 L C -0.824 176.120 176.870 0.124 0.000 1.044 230 L CA -0.521 54.403 54.840 0.139 0.000 0.807 230 L CB 1.170 43.326 42.059 0.163 0.000 1.192 230 L HN 0.620 nan 8.230 nan 0.000 0.425 231 c N 2.247 120.908 118.600 0.101 0.000 2.562 231 c HA 0.421 4.992 4.570 0.001 0.000 0.332 231 c C -1.336 172.785 174.090 0.051 0.000 1.201 231 c CA -1.554 54.824 56.329 0.081 0.000 1.803 231 c CB 1.648 44.206 42.510 0.081 0.000 2.328 231 c HN 0.564 nan 8.230 nan 0.000 0.500 232 P HA -0.100 nan 4.420 nan 0.000 0.225 232 P C 0.518 177.830 177.300 0.020 0.000 1.148 232 P CA 1.378 64.477 63.100 -0.003 0.000 0.779 232 P CB -0.138 31.538 31.700 -0.040 0.000 0.780 233 D N -2.422 117.997 120.400 0.032 0.000 2.332 233 D HA -0.059 4.581 4.640 0.001 0.000 0.244 233 D C 0.699 177.029 176.300 0.050 0.000 1.136 233 D CA -0.083 53.940 54.000 0.038 0.000 0.884 233 D CB -1.049 39.774 40.800 0.038 0.000 0.906 233 D HN -0.069 nan 8.370 nan 0.000 0.520 234 N N -0.926 117.809 118.700 0.059 0.000 2.922 234 N HA -0.219 4.521 4.740 0.001 0.000 0.224 234 N C 0.206 175.764 175.510 0.079 0.000 0.833 234 N CA 1.953 55.050 53.050 0.078 0.000 1.103 234 N CB -1.567 36.971 38.487 0.085 0.000 1.000 234 N HN 0.666 nan 8.380 nan 0.000 0.621 235 T N -1.528 113.066 114.554 0.065 0.000 2.847 235 T HA 0.578 4.928 4.350 0.001 0.000 0.279 235 T C 0.512 175.253 174.700 0.069 0.000 0.984 235 T CA -0.569 61.567 62.100 0.061 0.000 0.988 235 T CB 1.940 70.835 68.868 0.046 0.000 1.040 235 T HN 0.140 nan 8.240 nan 0.000 0.528 236 R N 0.681 121.218 120.500 0.062 0.000 2.457 236 R HA 0.631 4.972 4.340 0.001 0.000 0.284 236 R C 0.027 176.359 176.300 0.053 0.000 1.024 236 R CA -0.703 55.436 56.100 0.066 0.000 1.025 236 R CB 1.121 31.456 30.300 0.057 0.000 1.063 236 R HN 0.651 nan 8.270 nan 0.000 0.493 237 K N 1.589 122.026 120.400 0.062 0.000 2.399 237 K HA 0.459 4.779 4.320 0.001 0.000 0.260 237 K C -2.644 173.987 176.600 0.052 0.000 1.049 237 K CA -1.957 54.360 56.287 0.051 0.000 0.890 237 K CB 1.812 34.345 32.500 0.056 0.000 1.430 237 K HN 0.283 nan 8.250 nan 0.000 0.459 238 P HA 0.017 nan 4.420 nan 0.000 0.274 238 P C 0.539 177.875 177.300 0.060 0.000 1.256 238 P CA -0.418 62.701 63.100 0.032 0.000 0.795 238 P CB 0.571 32.275 31.700 0.006 0.000 1.038 239 V N 1.014 120.962 119.914 0.057 0.000 2.216 239 V HA -0.240 3.881 4.120 0.001 0.000 0.242 239 V C 1.679 177.910 176.094 0.228 0.000 1.042 239 V CA 2.329 64.691 62.300 0.103 0.000 0.991 239 V CB -1.425 30.360 31.823 -0.064 0.000 0.633 239 V HN 0.609 nan 8.190 nan 0.000 0.449 240 D N 1.582 122.100 120.400 0.196 0.000 2.357 240 D HA -0.153 4.488 4.640 0.001 0.000 0.216 240 D C 1.763 177.847 176.300 -0.359 0.000 0.973 240 D CA 1.336 55.385 54.000 0.081 0.000 0.912 240 D CB -0.295 40.542 40.800 0.061 0.000 0.900 240 D HN 0.512 nan 8.370 nan 0.000 0.501 241 A N 1.197 123.942 122.820 -0.125 0.000 2.264 241 A HA -0.023 4.297 4.320 0.001 0.000 0.207 241 A C 1.486 179.017 177.584 -0.087 0.000 1.196 241 A CA -0.046 51.917 52.037 -0.123 0.000 0.778 241 A CB -1.419 17.573 19.000 -0.014 0.000 0.779 241 A HN 0.360 nan 8.150 nan 0.000 0.483 242 F N -0.321 119.606 119.950 -0.038 0.000 2.529 242 F HA -0.088 4.440 4.527 0.001 0.000 0.297 242 F C 1.584 177.154 175.800 -0.384 0.000 1.114 242 F CA 0.910 58.825 58.000 -0.140 0.000 1.467 242 F CB -0.523 38.364 39.000 -0.188 0.000 1.096 242 F HN 0.123 nan 8.300 nan 0.000 0.586 243 K N 0.501 120.709 120.400 -0.320 0.000 2.137 243 K HA -0.022 4.299 4.320 0.001 0.000 0.202 243 K C 1.072 177.709 176.600 0.062 0.000 1.052 243 K CA 1.268 57.376 56.287 -0.299 0.000 0.961 243 K CB -0.136 32.168 32.500 -0.327 0.000 0.741 243 K HN 0.294 nan 8.250 nan 0.000 0.452 244 E N -0.593 119.646 120.200 0.065 0.000 2.526 244 E HA 0.048 4.399 4.350 0.001 0.000 0.208 244 E C -0.524 176.165 176.600 0.148 0.000 0.997 244 E CA -0.041 56.430 56.400 0.119 0.000 0.961 244 E CB 0.889 30.618 29.700 0.048 0.000 1.030 244 E HN 0.159 nan 8.360 nan 0.000 0.483 245 c N 2.349 121.065 118.600 0.193 0.000 2.789 245 c HA 0.654 5.225 4.570 0.001 0.000 0.324 245 c C -1.301 172.967 174.090 0.298 0.000 1.042 245 c CA -0.294 56.144 56.329 0.182 0.000 1.396 245 c CB -0.707 41.877 42.510 0.124 0.000 1.870 245 c HN 0.534 nan 8.230 nan 0.000 0.470 246 H N 3.736 122.885 119.070 0.131 0.000 2.921 246 H HA 0.252 4.808 4.556 0.001 0.000 0.287 246 H C -0.787 174.609 175.328 0.113 0.000 1.434 246 H CA -0.552 55.585 56.048 0.147 0.000 1.178 246 H CB 0.363 30.261 29.762 0.227 0.000 1.836 246 H HN 0.420 nan 8.280 nan 0.000 0.495 247 L N 0.987 122.203 121.223 -0.013 0.000 1.995 247 L HA 0.456 4.796 4.340 0.001 0.000 0.206 247 L C 1.225 178.001 176.870 -0.158 0.000 1.098 247 L CA 1.205 55.982 54.840 -0.105 0.000 0.762 247 L CB -0.550 41.495 42.059 -0.024 0.000 0.900 247 L HN 0.665 nan 8.230 nan 0.000 0.441 248 A N -0.401 122.448 122.820 0.048 0.000 2.414 248 A HA 0.551 4.872 4.320 0.001 0.000 0.306 248 A C -0.614 177.133 177.584 0.272 0.000 1.054 248 A CA -0.521 51.574 52.037 0.096 0.000 0.724 248 A CB 1.481 20.511 19.000 0.049 0.000 1.267 248 A HN 0.234 nan 8.150 nan 0.000 0.418 249 R N 3.091 123.726 120.500 0.225 0.000 2.937 249 R HA 0.357 4.697 4.340 0.001 0.000 0.264 249 R C -0.566 175.775 176.300 0.069 0.000 1.334 249 R CA -0.102 56.022 56.100 0.040 0.000 1.516 249 R CB 0.141 30.202 30.300 -0.398 0.000 1.187 249 R HN 0.732 nan 8.270 nan 0.000 0.609 250 V N 3.999 124.058 119.914 0.242 0.000 3.051 250 V HA 0.357 4.478 4.120 0.001 0.000 0.306 250 V C -2.294 173.847 176.094 0.078 0.000 1.083 250 V CA -1.668 60.770 62.300 0.230 0.000 1.104 250 V CB 1.137 33.213 31.823 0.421 0.000 1.027 250 V HN 0.527 nan 8.190 nan 0.000 0.483 251 P HA 0.254 nan 4.420 nan 0.000 0.274 251 P C -0.195 176.760 177.300 -0.575 0.000 1.231 251 P CA -0.122 62.756 63.100 -0.370 0.000 0.790 251 P CB 0.666 32.021 31.700 -0.576 0.000 0.951 252 S N 2.129 117.496 115.700 -0.554 0.000 3.100 252 S HA -0.041 4.429 4.470 0.001 0.000 0.261 252 S C 0.650 175.185 174.600 -0.108 0.000 1.474 252 S CA 0.175 58.048 58.200 -0.546 0.000 1.069 252 S CB -0.624 62.446 63.200 -0.217 0.000 0.856 252 S HN 0.450 nan 8.310 nan 0.000 0.503 253 H N -0.146 118.956 119.070 0.054 0.000 2.645 253 H HA 0.756 5.313 4.556 0.001 0.000 0.308 253 H C 0.164 175.610 175.328 0.196 0.000 1.495 253 H CA -0.610 55.554 56.048 0.193 0.000 1.518 253 H CB 1.170 31.096 29.762 0.274 0.000 1.752 253 H HN 0.874 nan 8.280 nan 0.000 0.797 254 A N 0.219 123.251 122.820 0.353 0.000 2.540 254 A HA 0.438 4.758 4.320 0.001 0.000 0.291 254 A C -1.438 176.272 177.584 0.209 0.000 1.083 254 A CA -0.617 51.563 52.037 0.239 0.000 0.650 254 A CB 0.691 19.768 19.000 0.130 0.000 1.292 254 A HN 0.300 nan 8.150 nan 0.000 0.435 255 V N 0.393 120.409 119.914 0.171 0.000 2.617 255 V HA 0.716 4.837 4.120 0.001 0.000 0.298 255 V C 0.002 176.096 176.094 0.000 0.000 1.048 255 V CA -0.125 62.241 62.300 0.110 0.000 0.964 255 V CB 1.184 33.125 31.823 0.195 0.000 1.004 255 V HN 1.655 nan 8.190 nan 0.000 0.466 256 V N 0.704 120.565 119.914 -0.088 0.000 2.932 256 V HA 1.041 5.161 4.120 0.001 0.000 0.307 256 V C -0.367 175.649 176.094 -0.130 0.000 1.147 256 V CA -0.275 61.976 62.300 -0.083 0.000 0.951 256 V CB 1.337 33.134 31.823 -0.043 0.000 1.031 256 V HN 1.234 nan 8.190 nan 0.000 0.426 257 A N 3.891 126.655 122.820 -0.094 0.000 2.578 257 A HA 1.020 5.341 4.320 0.001 0.000 0.255 257 A C -0.221 177.327 177.584 -0.060 0.000 1.251 257 A CA -1.173 50.810 52.037 -0.091 0.000 0.882 257 A CB 0.992 19.951 19.000 -0.069 0.000 1.416 257 A HN 1.016 nan 8.150 nan 0.000 0.462 258 R N 0.119 120.592 120.500 -0.045 0.000 2.491 258 R HA 0.341 4.682 4.340 0.001 0.000 0.283 258 R C 0.970 177.255 176.300 -0.025 0.000 1.072 258 R CA 0.491 56.578 56.100 -0.022 0.000 1.048 258 R CB 0.181 30.474 30.300 -0.012 0.000 0.983 258 R HN 0.613 nan 8.270 nan 0.000 0.450 259 S N 1.203 116.893 115.700 -0.017 0.000 2.465 259 S HA -0.068 4.403 4.470 0.001 0.000 0.241 259 S C 0.563 175.145 174.600 -0.030 0.000 1.000 259 S CA 0.719 58.902 58.200 -0.028 0.000 0.964 259 S CB -0.112 63.073 63.200 -0.024 0.000 0.763 259 S HN 0.434 nan 8.310 nan 0.000 0.512 260 V N -0.215 119.686 119.914 -0.021 0.000 2.435 260 V HA 0.525 4.646 4.120 0.001 0.000 0.290 260 V C 0.011 176.094 176.094 -0.019 0.000 1.030 260 V CA -0.749 61.539 62.300 -0.020 0.000 0.881 260 V CB 1.213 33.029 31.823 -0.012 0.000 0.983 260 V HN 0.206 nan 8.190 nan 0.000 0.445 261 D N 3.350 123.737 120.400 -0.021 0.000 2.704 261 D HA -0.176 4.464 4.640 0.001 0.000 0.232 261 D C 1.506 177.795 176.300 -0.019 0.000 1.183 261 D CA 1.288 55.277 54.000 -0.018 0.000 0.647 261 D CB -0.829 39.964 40.800 -0.012 0.000 1.013 261 D HN 1.111 nan 8.370 nan 0.000 0.415 262 G N 0.571 109.355 108.800 -0.026 0.000 2.469 262 G HA2 -0.285 3.676 3.960 0.001 0.000 0.220 262 G HA3 -0.285 3.676 3.960 0.001 0.000 0.220 262 G C 1.271 176.161 174.900 -0.018 0.000 1.136 262 G CA 1.159 46.241 45.100 -0.029 0.000 0.759 262 G HN 0.601 nan 8.290 nan 0.000 0.562 263 R N -0.892 119.603 120.500 -0.009 0.000 3.653 263 R HA -0.219 4.121 4.340 0.001 0.000 0.485 263 R C 2.094 178.404 176.300 0.018 0.000 0.840 263 R CA 1.146 57.250 56.100 0.006 0.000 1.409 263 R CB -1.633 28.674 30.300 0.011 0.000 2.089 263 R HN 0.636 nan 8.270 nan 0.000 0.482 264 E N 1.642 121.843 120.200 0.002 0.000 2.532 264 E HA -0.342 4.008 4.350 0.001 0.000 0.249 264 E C 0.837 177.470 176.600 0.055 0.000 1.129 264 E CA 2.629 59.032 56.400 0.004 0.000 1.173 264 E CB -1.019 28.653 29.700 -0.046 0.000 1.007 264 E HN 0.687 nan 8.360 nan 0.000 0.460 265 D N 1.639 122.071 120.400 0.053 0.000 2.077 265 D HA -0.152 4.489 4.640 0.001 0.000 0.193 265 D C 2.462 178.842 176.300 0.133 0.000 0.989 265 D CA 1.377 55.440 54.000 0.105 0.000 0.831 265 D CB -0.674 40.163 40.800 0.062 0.000 0.979 265 D HN 0.193 nan 8.370 nan 0.000 0.449 266 L N 0.952 122.225 121.223 0.084 0.000 2.034 266 L HA -0.241 4.099 4.340 0.001 0.000 0.217 266 L C 2.612 179.545 176.870 0.106 0.000 1.077 266 L CA 1.369 56.254 54.840 0.076 0.000 0.769 266 L CB -0.695 41.395 42.059 0.052 0.000 0.890 266 L HN 0.137 nan 8.230 nan 0.000 0.435 267 I N -1.462 119.180 120.570 0.121 0.000 2.058 267 I HA -0.384 3.786 4.170 0.001 0.000 0.235 267 I C 2.359 178.604 176.117 0.214 0.000 1.053 267 I CA 1.818 63.212 61.300 0.157 0.000 1.313 267 I CB -1.692 36.386 38.000 0.131 0.000 1.039 267 I HN 0.591 nan 8.210 nan 0.000 0.396 268 W N 2.642 123.940 121.300 -0.004 0.000 2.313 268 W HA -0.286 4.374 4.660 0.001 0.000 0.293 268 W C 2.319 178.860 176.519 0.036 0.000 1.216 268 W CA 1.293 58.628 57.345 -0.017 0.000 1.223 268 W CB 0.032 29.473 29.460 -0.032 0.000 1.138 268 W HN 0.186 nan 8.180 nan 0.000 0.535 269 K N 0.664 121.142 120.400 0.129 0.000 1.987 269 K HA -0.230 4.091 4.320 0.001 0.000 0.216 269 K C 2.048 178.645 176.600 -0.005 0.000 1.051 269 K CA 1.638 57.937 56.287 0.019 0.000 0.942 269 K CB -1.406 31.125 32.500 0.051 0.000 0.722 269 K HN 0.327 nan 8.250 nan 0.000 0.444 270 L N 0.742 121.993 121.223 0.046 0.000 1.951 270 L HA -0.266 4.075 4.340 0.001 0.000 0.222 270 L C 2.405 179.314 176.870 0.065 0.000 1.078 270 L CA 1.209 56.089 54.840 0.066 0.000 0.778 270 L CB -0.563 41.573 42.059 0.128 0.000 0.893 270 L HN 0.149 nan 8.230 nan 0.000 0.436 271 L N -0.751 120.473 121.223 0.003 0.000 2.103 271 L HA -0.362 3.979 4.340 0.001 0.000 0.215 271 L C 2.517 179.337 176.870 -0.084 0.000 1.080 271 L CA 1.972 56.706 54.840 -0.177 0.000 0.764 271 L CB -1.891 39.722 42.059 -0.742 0.000 0.890 271 L HN 0.517 nan 8.230 nan 0.000 0.435 272 H N 0.033 118.852 119.070 -0.418 0.000 2.270 272 H HA -0.110 4.447 4.556 0.001 0.000 0.299 272 H C 2.431 177.707 175.328 -0.088 0.000 1.077 272 H CA 1.565 57.373 56.048 -0.400 0.000 1.294 272 H CB 0.347 29.721 29.762 -0.647 0.000 1.371 272 H HN 0.190 nan 8.280 nan 0.000 0.491 273 R N 0.203 120.718 120.500 0.025 0.000 2.152 273 R HA -0.077 4.263 4.340 0.001 0.000 0.232 273 R C 2.374 178.801 176.300 0.213 0.000 1.117 273 R CA 0.758 56.895 56.100 0.063 0.000 0.981 273 R CB -0.167 30.188 30.300 0.090 0.000 0.870 273 R HN 0.306 nan 8.270 nan 0.000 0.451 274 A N 1.607 124.618 122.820 0.318 0.000 1.858 274 A HA -0.248 4.073 4.320 0.001 0.000 0.216 274 A C 2.058 179.867 177.584 0.376 0.000 1.190 274 A CA 1.647 54.041 52.037 0.595 0.000 0.617 274 A CB -0.503 18.840 19.000 0.573 0.000 0.827 274 A HN 0.514 nan 8.150 nan 0.000 0.443 275 Q N -0.934 118.986 119.800 0.200 0.000 2.436 275 Q HA -0.013 4.327 4.340 0.001 0.000 0.209 275 Q C 1.487 177.425 176.000 -0.102 0.000 0.965 275 Q CA 1.403 57.213 55.803 0.012 0.000 0.910 275 Q CB -0.120 28.627 28.738 0.015 0.000 0.980 275 Q HN 0.731 nan 8.270 nan 0.000 0.491 276 E N 0.902 121.030 120.200 -0.120 0.000 2.140 276 E HA -0.051 4.299 4.350 0.001 0.000 0.191 276 E C 0.463 176.933 176.600 -0.216 0.000 0.973 276 E CA 0.841 57.129 56.400 -0.187 0.000 0.829 276 E CB 0.421 29.995 29.700 -0.209 0.000 0.781 276 E HN 0.528 nan 8.360 nan 0.000 0.466 277 E N -0.678 119.329 120.200 -0.321 0.000 2.887 277 E HA 0.196 4.546 4.350 0.001 0.000 0.206 277 E C -1.123 174.703 176.600 -1.290 0.000 0.983 277 E CA -0.220 55.750 56.400 -0.717 0.000 1.141 277 E CB 0.606 29.857 29.700 -0.749 0.000 1.061 277 E HN -0.034 nan 8.360 nan 0.000 0.468 278 F N -0.068 119.873 119.950 -0.016 0.000 2.668 278 F HA 0.546 5.074 4.527 0.001 0.000 0.309 278 F C 0.828 176.498 175.800 -0.218 0.000 1.117 278 F CA -0.779 57.197 58.000 -0.039 0.000 0.951 278 F CB 1.114 40.180 39.000 0.109 0.000 1.323 278 F HN 0.028 nan 8.300 nan 0.000 0.451 279 G N 1.650 110.370 108.800 -0.134 0.000 2.907 279 G HA2 -0.057 3.904 3.960 0.001 0.000 0.242 279 G HA3 -0.057 3.904 3.960 0.001 0.000 0.242 279 G C 0.164 174.986 174.900 -0.130 0.000 1.448 279 G CA -0.114 44.858 45.100 -0.213 0.000 0.911 279 G HN 1.290 nan 8.290 nan 0.000 0.553 280 R N -0.804 119.646 120.500 -0.082 0.000 3.863 280 R HA -0.284 4.056 4.340 0.001 0.000 0.313 280 R C 0.705 176.970 176.300 -0.059 0.000 1.202 280 R CA 1.575 57.642 56.100 -0.054 0.000 0.852 280 R CB -2.594 27.669 30.300 -0.061 0.000 1.292 280 R HN 2.409 nan 8.270 nan 0.000 0.519 281 N N -0.447 118.216 118.700 -0.062 0.000 2.746 281 N HA -0.182 4.558 4.740 0.001 0.000 0.250 281 N C 0.290 175.757 175.510 -0.071 0.000 1.055 281 N CA 1.684 54.700 53.050 -0.056 0.000 0.699 281 N CB -0.274 38.189 38.487 -0.041 0.000 0.919 281 N HN 0.529 nan 8.380 nan 0.000 0.548 282 K N -1.011 119.332 120.400 -0.096 0.000 2.344 282 K HA 0.347 4.668 4.320 0.001 0.000 0.200 282 K C -0.070 176.438 176.600 -0.153 0.000 1.132 282 K CA 0.634 56.841 56.287 -0.133 0.000 0.935 282 K CB 0.490 32.887 32.500 -0.172 0.000 1.089 282 K HN 0.164 nan 8.250 nan 0.000 0.496 283 S N 0.362 115.989 115.700 -0.121 0.000 2.653 283 S HA 0.257 4.728 4.470 0.001 0.000 0.272 283 S C 0.018 174.619 174.600 0.002 0.000 1.221 283 S CA -0.470 57.690 58.200 -0.066 0.000 1.149 283 S CB 0.725 63.916 63.200 -0.014 0.000 1.029 283 S HN 0.158 nan 8.310 nan 0.000 0.481 284 S N 2.906 118.601 115.700 -0.008 0.000 2.474 284 S HA -0.037 4.434 4.470 0.001 0.000 0.235 284 S C 2.025 176.647 174.600 0.036 0.000 0.997 284 S CA 0.939 59.139 58.200 0.000 0.000 0.949 284 S CB -0.042 63.154 63.200 -0.007 0.000 0.766 284 S HN 0.806 nan 8.310 nan 0.000 0.517 285 A N 0.485 123.350 122.820 0.076 0.000 1.874 285 A HA 0.371 4.692 4.320 0.001 0.000 0.214 285 A C 0.587 178.311 177.584 0.234 0.000 1.189 285 A CA 0.627 52.742 52.037 0.129 0.000 0.615 285 A CB -0.077 19.002 19.000 0.131 0.000 0.830 285 A HN 0.471 nan 8.150 nan 0.000 0.443 286 F N -1.175 118.846 119.950 0.118 0.000 2.626 286 F HA 0.559 5.086 4.527 0.001 0.000 0.311 286 F C -1.217 174.668 175.800 0.141 0.000 1.088 286 F CA -0.713 57.371 58.000 0.141 0.000 0.949 286 F CB 1.485 40.613 39.000 0.213 0.000 1.322 286 F HN 0.376 nan 8.300 nan 0.000 0.461 287 Q N 4.589 123.704 119.800 -1.142 0.000 2.472 287 Q HA 0.391 4.732 4.340 0.001 0.000 0.281 287 Q C -1.368 173.807 176.000 -1.375 0.000 0.997 287 Q CA -0.960 54.291 55.803 -0.921 0.000 0.828 287 Q CB 1.875 30.345 28.738 -0.448 0.000 1.443 287 Q HN 0.706 nan 8.270 nan 0.000 0.390 288 L N -0.923 119.652 121.223 -1.080 0.000 2.513 288 L HA 0.292 4.633 4.340 0.001 0.000 0.222 288 L C 0.552 177.088 176.870 -0.557 0.000 1.096 288 L CA 0.377 54.621 54.840 -0.993 0.000 0.857 288 L CB -1.006 40.277 42.059 -1.293 0.000 1.026 288 L HN 0.521 nan 8.230 nan 0.000 0.469 289 F N 2.129 121.864 119.950 -0.357 0.000 2.394 289 F HA 0.446 4.973 4.527 0.001 0.000 0.269 289 F C 2.058 177.756 175.800 -0.169 0.000 1.012 289 F CA -0.600 57.261 58.000 -0.231 0.000 1.138 289 F CB -1.385 37.496 39.000 -0.197 0.000 1.140 289 F HN 0.004 nan 8.300 nan 0.000 0.623 290 G N 1.035 109.868 108.800 0.055 0.000 2.255 290 G HA2 0.343 4.304 3.960 0.001 0.000 0.267 290 G HA3 0.343 4.304 3.960 0.001 0.000 0.267 290 G C -0.056 174.806 174.900 -0.064 0.000 1.177 290 G CA 0.310 45.403 45.100 -0.011 0.000 1.027 290 G HN 0.294 nan 8.290 nan 0.000 0.437 291 S N 0.685 116.364 115.700 -0.034 0.000 4.333 291 S HA 0.547 5.017 4.470 0.001 0.000 0.203 291 S C 0.558 175.145 174.600 -0.021 0.000 1.107 291 S CA -0.147 58.024 58.200 -0.048 0.000 1.753 291 S CB 0.763 63.945 63.200 -0.030 0.000 1.009 291 S HN 0.722 nan 8.310 nan 0.000 0.779 292 T N 3.418 117.972 114.554 0.000 0.000 2.902 292 T HA 0.462 4.812 4.350 0.001 0.000 0.283 292 T C -2.179 172.534 174.700 0.021 0.000 1.009 292 T CA -2.201 59.905 62.100 0.010 0.000 1.051 292 T CB 1.423 70.300 68.868 0.015 0.000 0.999 292 T HN 0.181 nan 8.240 nan 0.000 0.474 293 P HA 0.219 nan 4.420 nan 0.000 0.252 293 P C 1.349 178.673 177.300 0.041 0.000 1.218 293 P CA 0.219 63.338 63.100 0.031 0.000 0.807 293 P CB 0.067 31.783 31.700 0.026 0.000 1.072 294 G N 0.542 109.362 108.800 0.033 0.000 2.421 294 G HA2 -0.078 3.882 3.960 0.001 0.000 0.217 294 G HA3 -0.078 3.882 3.960 0.001 0.000 0.217 294 G C 0.867 175.787 174.900 0.033 0.000 1.143 294 G CA 0.480 45.599 45.100 0.030 0.000 0.784 294 G HN 0.175 nan 8.290 nan 0.000 0.541 295 E N 0.904 121.128 120.200 0.039 0.000 3.352 295 E HA 0.161 4.511 4.350 0.001 0.000 0.254 295 E C -0.433 176.211 176.600 0.072 0.000 1.229 295 E CA -0.292 56.138 56.400 0.050 0.000 0.949 295 E CB 0.645 30.361 29.700 0.027 0.000 1.373 295 E HN 0.235 nan 8.360 nan 0.000 0.392 296 Q N 1.145 120.997 119.800 0.086 0.000 2.386 296 Q HA -0.011 4.330 4.340 0.001 0.000 0.282 296 Q C -0.056 176.001 176.000 0.095 0.000 1.050 296 Q CA 0.780 56.632 55.803 0.081 0.000 0.918 296 Q CB 0.460 29.246 28.738 0.080 0.000 1.266 296 Q HN 0.367 nan 8.270 nan 0.000 0.423 297 D N 0.995 121.429 120.400 0.057 0.000 5.167 297 D HA -0.187 4.453 4.640 0.001 0.000 0.237 297 D C -1.832 174.522 176.300 0.089 0.000 1.278 297 D CA 0.475 54.495 54.000 0.033 0.000 1.266 297 D CB -0.322 40.450 40.800 -0.047 0.000 0.704 297 D HN 0.362 nan 8.370 nan 0.000 0.350 298 L N 4.679 125.967 121.223 0.109 0.000 2.455 298 L HA 0.383 4.723 4.340 0.001 0.000 0.264 298 L C 1.033 178.052 176.870 0.248 0.000 0.968 298 L CA -0.877 54.050 54.840 0.146 0.000 0.827 298 L CB 1.534 43.663 42.059 0.116 0.000 1.317 298 L HN 0.621 nan 8.230 nan 0.000 0.407 299 L N 2.086 123.393 121.223 0.140 0.000 5.339 299 L HA -0.372 3.969 4.340 0.001 0.000 0.414 299 L C -0.193 176.327 176.870 -0.583 0.000 0.847 299 L CA 2.241 56.988 54.840 -0.156 0.000 1.836 299 L CB -1.670 40.258 42.059 -0.218 0.000 1.169 299 L HN 0.551 nan 8.230 nan 0.000 0.616 300 F N -2.231 117.763 119.950 0.074 0.000 3.117 300 F HA 0.767 5.294 4.527 0.001 0.000 0.345 300 F C 0.376 176.136 175.800 -0.067 0.000 1.278 300 F CA -1.372 56.657 58.000 0.049 0.000 1.035 300 F CB 0.210 39.271 39.000 0.102 0.000 1.531 300 F HN -0.282 nan 8.300 nan 0.000 0.515 301 K N 0.438 120.891 120.400 0.089 0.000 2.164 301 K HA 0.399 4.720 4.320 0.001 0.000 0.258 301 K C -1.563 174.968 176.600 -0.116 0.000 0.951 301 K CA -0.411 55.838 56.287 -0.062 0.000 0.844 301 K CB 0.779 33.201 32.500 -0.130 0.000 1.099 301 K HN 0.407 nan 8.250 nan 0.000 0.435 302 D N 1.552 121.927 120.400 -0.042 0.000 2.423 302 D HA 0.057 4.697 4.640 0.001 0.000 0.238 302 D C 0.040 176.278 176.300 -0.102 0.000 1.142 302 D CA 0.899 54.895 54.000 -0.006 0.000 0.884 302 D CB 0.509 41.320 40.800 0.018 0.000 1.199 302 D HN 0.629 nan 8.370 nan 0.000 0.438 303 S N -0.682 114.990 115.700 -0.048 0.000 3.143 303 S HA -0.270 4.201 4.470 0.001 0.000 0.291 303 S C 0.438 174.904 174.600 -0.223 0.000 1.294 303 S CA 0.774 58.928 58.200 -0.076 0.000 1.115 303 S CB -1.342 61.834 63.200 -0.039 0.000 1.318 303 S HN 0.772 nan 8.310 nan 0.000 0.685 304 A N 1.125 123.646 122.820 -0.500 0.000 2.489 304 A HA 0.514 4.835 4.320 0.001 0.000 0.289 304 A C 1.218 178.454 177.584 -0.580 0.000 1.216 304 A CA 0.192 52.049 52.037 -0.300 0.000 0.883 304 A CB -0.149 18.685 19.000 -0.276 0.000 1.110 304 A HN 0.503 nan 8.150 nan 0.000 0.523 305 L N 2.836 123.945 121.223 -0.191 0.000 2.056 305 L HA -0.196 4.144 4.340 0.001 0.000 0.245 305 L C 1.620 178.396 176.870 -0.156 0.000 1.099 305 L CA 2.330 57.102 54.840 -0.114 0.000 0.840 305 L CB -0.278 41.748 42.059 -0.054 0.000 0.929 305 L HN 0.762 nan 8.230 nan 0.000 0.440 306 G N -3.361 105.278 108.800 -0.269 0.000 3.243 306 G HA2 0.536 4.496 3.960 0.001 0.000 0.248 306 G HA3 0.536 4.496 3.960 0.001 0.000 0.248 306 G C -1.507 173.066 174.900 -0.545 0.000 1.267 306 G CA -0.100 44.669 45.100 -0.551 0.000 0.906 306 G HN 0.313 nan 8.290 nan 0.000 0.592 307 F N -1.692 118.359 119.950 0.168 0.000 2.754 307 F HA 0.806 5.333 4.527 0.001 0.000 0.320 307 F C -0.606 175.406 175.800 0.353 0.000 1.156 307 F CA -2.179 55.947 58.000 0.210 0.000 0.950 307 F CB 1.194 40.373 39.000 0.298 0.000 1.388 307 F HN 0.711 nan 8.300 nan 0.000 0.485 308 V N -1.339 118.941 119.914 0.609 0.000 2.808 308 V HA 0.627 4.747 4.120 0.001 0.000 0.308 308 V C -0.551 175.570 176.094 0.046 0.000 1.099 308 V CA -1.175 61.375 62.300 0.416 0.000 0.920 308 V CB 1.622 33.660 31.823 0.358 0.000 1.014 308 V HN 1.047 nan 8.190 nan 0.000 0.425 309 R N 3.962 124.046 120.500 -0.694 0.000 2.421 309 R HA 0.345 4.685 4.340 0.001 0.000 0.305 309 R C -0.265 175.700 176.300 -0.559 0.000 1.039 309 R CA -0.471 55.095 56.100 -0.890 0.000 1.003 309 R CB 0.377 29.767 30.300 -1.518 0.000 0.959 309 R HN 0.751 nan 8.270 nan 0.000 0.427 310 I N 7.924 128.195 120.570 -0.499 0.000 2.452 310 I HA 0.153 4.324 4.170 0.001 0.000 0.287 310 I C -1.657 174.026 176.117 -0.724 0.000 1.079 310 I CA -2.546 58.287 61.300 -0.778 0.000 1.387 310 I CB 0.253 37.929 38.000 -0.540 0.000 1.404 310 I HN 0.521 nan 8.210 nan 0.000 0.522 311 P HA 0.044 nan 4.420 nan 0.000 0.278 311 P C 0.808 177.885 177.300 -0.371 0.000 1.270 311 P CA -0.090 62.697 63.100 -0.522 0.000 0.800 311 P CB 0.294 31.704 31.700 -0.483 0.000 1.142 312 S N -2.052 113.500 115.700 -0.247 0.000 2.501 312 S HA -0.095 4.376 4.470 0.001 0.000 0.220 312 S C 1.687 176.208 174.600 -0.132 0.000 0.997 312 S CA 0.241 58.335 58.200 -0.178 0.000 0.919 312 S CB -0.594 62.526 63.200 -0.134 0.000 0.778 312 S HN 0.608 nan 8.310 nan 0.000 0.523 313 Q N 0.729 120.459 119.800 -0.117 0.000 2.424 313 Q HA 0.122 4.462 4.340 0.001 0.000 0.204 313 Q C -0.120 175.839 176.000 -0.068 0.000 0.933 313 Q CA -0.114 55.640 55.803 -0.081 0.000 0.929 313 Q CB 0.012 28.709 28.738 -0.068 0.000 1.037 313 Q HN 0.403 nan 8.270 nan 0.000 0.511 314 I N 4.119 124.640 120.570 -0.081 0.000 2.683 314 I HA -0.028 4.143 4.170 0.001 0.000 0.286 314 I C 0.180 176.276 176.117 -0.035 0.000 1.175 314 I CA 0.468 61.742 61.300 -0.042 0.000 1.429 314 I CB -0.447 37.513 38.000 -0.066 0.000 1.371 314 I HN 0.279 nan 8.210 nan 0.000 0.569 315 D N 3.324 123.722 120.400 -0.004 0.000 2.531 315 D HA 0.216 4.856 4.640 0.001 0.000 0.244 315 D C 0.614 176.930 176.300 0.026 0.000 1.090 315 D CA -0.595 53.400 54.000 -0.008 0.000 0.989 315 D CB 1.243 42.024 40.800 -0.031 0.000 1.433 315 D HN 0.346 nan 8.370 nan 0.000 0.492 316 S N 0.786 116.499 115.700 0.022 0.000 2.180 316 S HA -0.329 4.142 4.470 0.001 0.000 0.422 316 S C 2.105 176.723 174.600 0.029 0.000 1.021 316 S CA 3.324 61.544 58.200 0.033 0.000 2.417 316 S CB -1.468 61.719 63.200 -0.023 0.000 1.807 316 S HN 0.805 nan 8.310 nan 0.000 0.507 317 G N 1.332 110.112 108.800 -0.032 0.000 2.505 317 G HA2 -0.214 3.747 3.960 0.001 0.000 0.220 317 G HA3 -0.214 3.747 3.960 0.001 0.000 0.220 317 G C 1.577 176.481 174.900 0.006 0.000 1.145 317 G CA 1.219 46.300 45.100 -0.032 0.000 0.761 317 G HN 0.559 nan 8.290 nan 0.000 0.571 318 L N -1.108 120.129 121.223 0.023 0.000 1.989 318 L HA -0.158 4.183 4.340 0.001 0.000 0.211 318 L C 2.607 179.539 176.870 0.105 0.000 1.071 318 L CA 1.689 56.558 54.840 0.048 0.000 0.749 318 L CB -0.419 41.665 42.059 0.042 0.000 0.890 318 L HN 0.335 nan 8.230 nan 0.000 0.431 319 Y N 0.384 120.681 120.300 -0.004 0.000 2.333 319 Y HA -0.165 4.385 4.550 0.001 0.000 0.290 319 Y C 2.054 177.947 175.900 -0.012 0.000 1.144 319 Y CA 1.031 59.139 58.100 0.013 0.000 1.228 319 Y CB -0.292 38.177 38.460 0.014 0.000 0.985 319 Y HN 0.093 nan 8.280 nan 0.000 0.542 320 L N 0.296 121.433 121.223 -0.144 0.000 2.650 320 L HA 0.099 4.440 4.340 0.001 0.000 0.235 320 L C 1.166 177.946 176.870 -0.150 0.000 1.149 320 L CA 0.581 55.275 54.840 -0.244 0.000 0.887 320 L CB -1.401 40.593 42.059 -0.107 0.000 1.021 320 L HN 0.414 nan 8.230 nan 0.000 0.441 321 G N 1.132 109.871 108.800 -0.101 0.000 2.247 321 G HA2 -0.233 3.727 3.960 0.001 0.000 0.260 321 G HA3 -0.233 3.727 3.960 0.001 0.000 0.260 321 G C 1.233 176.135 174.900 0.004 0.000 0.852 321 G CA 0.583 45.655 45.100 -0.047 0.000 1.281 321 G HN 0.586 nan 8.290 nan 0.000 0.378 322 A N 2.100 124.932 122.820 0.019 0.000 2.186 322 A HA -0.481 3.840 4.320 0.001 0.000 0.328 322 A C 2.574 180.203 177.584 0.075 0.000 4.918 322 A CA 2.806 54.866 52.037 0.038 0.000 1.011 322 A CB -1.410 17.601 19.000 0.018 0.000 0.565 322 A HN 1.327 nan 8.150 nan 0.000 0.439 323 N N -2.012 116.725 118.700 0.062 0.000 2.161 323 N HA -0.339 4.401 4.740 0.001 0.000 0.199 323 N C 1.616 177.198 175.510 0.120 0.000 0.990 323 N CA 2.744 55.836 53.050 0.071 0.000 0.902 323 N CB -0.675 37.846 38.487 0.057 0.000 1.074 323 N HN 0.853 nan 8.380 nan 0.000 0.556 324 Y N 3.052 123.357 120.300 0.008 0.000 2.184 324 Y HA -0.045 4.505 4.550 0.001 0.000 0.290 324 Y C 2.532 178.475 175.900 0.071 0.000 1.129 324 Y CA 0.936 59.052 58.100 0.027 0.000 1.144 324 Y CB -0.545 37.926 38.460 0.019 0.000 0.995 324 Y HN 0.043 nan 8.280 nan 0.000 0.513 325 L N -1.260 120.244 121.223 0.469 0.000 2.187 325 L HA -0.134 4.206 4.340 0.001 0.000 0.213 325 L C 1.756 178.784 176.870 0.264 0.000 1.100 325 L CA 2.114 57.212 54.840 0.429 0.000 0.765 325 L CB -2.585 39.621 42.059 0.246 0.000 0.904 325 L HN 0.227 nan 8.230 nan 0.000 0.437 326 T N 1.604 116.249 114.554 0.150 0.000 2.622 326 T HA -0.129 4.222 4.350 0.001 0.000 0.266 326 T C 2.287 177.016 174.700 0.049 0.000 1.047 326 T CA 2.094 64.244 62.100 0.083 0.000 1.159 326 T CB -0.578 68.316 68.868 0.044 0.000 0.863 326 T HN 0.544 nan 8.240 nan 0.000 0.422 327 A N 1.964 124.771 122.820 -0.021 0.000 1.903 327 A HA -0.232 4.089 4.320 0.001 0.000 0.219 327 A C 2.597 180.105 177.584 -0.126 0.000 1.191 327 A CA 2.692 54.656 52.037 -0.122 0.000 0.638 327 A CB -1.558 17.286 19.000 -0.259 0.000 0.823 327 A HN 0.631 nan 8.150 nan 0.000 0.451 328 T N -1.077 113.407 114.554 -0.117 0.000 2.737 328 T HA -0.195 4.156 4.350 0.001 0.000 0.265 328 T C 2.040 176.760 174.700 0.035 0.000 1.038 328 T CA 1.490 63.514 62.100 -0.128 0.000 1.144 328 T CB -0.378 68.394 68.868 -0.161 0.000 0.866 328 T HN 0.605 nan 8.240 nan 0.000 0.434 329 Q N 1.410 121.387 119.800 0.295 0.000 2.084 329 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 329 Q C 2.309 178.398 176.000 0.148 0.000 0.978 329 Q CA 1.755 57.740 55.803 0.303 0.000 0.844 329 Q CB -0.303 28.579 28.738 0.240 0.000 0.898 329 Q HN 0.666 nan 8.270 nan 0.000 0.426 330 N N -0.608 118.147 118.700 0.091 0.000 2.272 330 N HA -0.170 4.570 4.740 0.001 0.000 0.185 330 N C 1.332 176.889 175.510 0.078 0.000 1.014 330 N CA 0.652 53.738 53.050 0.060 0.000 0.870 330 N CB -0.119 38.380 38.487 0.021 0.000 0.975 330 N HN 0.222 nan 8.380 nan 0.000 0.433 331 L N 0.822 122.079 121.223 0.057 0.000 2.549 331 L HA -0.035 4.306 4.340 0.001 0.000 0.229 331 L C 0.873 177.864 176.870 0.202 0.000 1.158 331 L CA 1.116 55.999 54.840 0.072 0.000 0.842 331 L CB -0.860 41.186 42.059 -0.022 0.000 0.952 331 L HN 0.500 nan 8.230 nan 0.000 0.452 332 R N -0.734 119.875 120.500 0.181 0.000 2.727 332 R HA 0.357 4.697 4.340 0.001 0.000 0.410 332 R C -0.368 176.005 176.300 0.120 0.000 1.101 332 R CA -0.136 56.083 56.100 0.198 0.000 1.045 332 R CB 0.448 30.841 30.300 0.155 0.000 1.380 332 R HN 0.082 nan 8.270 nan 0.000 0.587 333 E N 1.072 121.330 120.200 0.096 0.000 2.404 333 E HA 0.372 4.723 4.350 0.001 0.000 0.264 333 E C -0.361 176.189 176.600 -0.083 0.000 0.946 333 E CA -0.758 55.647 56.400 0.007 0.000 0.806 333 E CB 1.288 31.002 29.700 0.023 0.000 1.334 333 E HN 0.147 nan 8.360 nan 0.000 0.429 334 T N -3.311 111.187 114.554 -0.093 0.000 2.888 334 T HA 0.568 4.919 4.350 0.001 0.000 0.284 334 T C 1.028 175.683 174.700 -0.074 0.000 1.017 334 T CA -0.196 61.823 62.100 -0.134 0.000 1.022 334 T CB 1.666 70.456 68.868 -0.132 0.000 1.013 334 T HN 0.440 nan 8.240 nan 0.000 0.465 335 A N 2.054 124.833 122.820 -0.070 0.000 1.997 335 A HA 0.040 4.361 4.320 0.001 0.000 0.221 335 A C 2.490 180.053 177.584 -0.035 0.000 1.172 335 A CA 2.284 54.299 52.037 -0.037 0.000 0.645 335 A CB -1.483 17.497 19.000 -0.033 0.000 0.813 335 A HN 1.317 nan 8.150 nan 0.000 0.454 336 A N -0.069 122.723 122.820 -0.045 0.000 1.828 336 A HA -0.203 4.118 4.320 0.001 0.000 0.215 336 A C 1.874 179.441 177.584 -0.028 0.000 1.203 336 A CA 1.693 53.709 52.037 -0.036 0.000 0.614 336 A CB -0.808 18.167 19.000 -0.043 0.000 0.844 336 A HN 0.628 nan 8.150 nan 0.000 0.445 337 E N -0.298 119.884 120.200 -0.032 0.000 2.048 337 E HA -0.198 4.152 4.350 0.001 0.000 0.202 337 E C 2.018 178.610 176.600 -0.014 0.000 1.021 337 E CA 1.679 58.067 56.400 -0.021 0.000 0.825 337 E CB -0.623 29.065 29.700 -0.021 0.000 0.756 337 E HN 0.386 nan 8.360 nan 0.000 0.454 338 V N 1.793 121.698 119.914 -0.015 0.000 2.215 338 V HA -0.369 3.752 4.120 0.001 0.000 0.246 338 V C 2.403 178.485 176.094 -0.019 0.000 1.047 338 V CA 2.124 64.417 62.300 -0.012 0.000 0.999 338 V CB -1.219 30.598 31.823 -0.010 0.000 0.635 338 V HN 0.427 nan 8.190 nan 0.000 0.450 339 A N 0.257 123.064 122.820 -0.021 0.000 1.873 339 A HA -0.342 3.978 4.320 0.001 0.000 0.219 339 A C 2.470 180.041 177.584 -0.021 0.000 1.269 339 A CA 3.770 55.793 52.037 -0.023 0.000 0.671 339 A CB -1.493 17.497 19.000 -0.018 0.000 0.842 339 A HN 0.870 nan 8.150 nan 0.000 0.460 340 A N -0.267 122.545 122.820 -0.013 0.000 1.882 340 A HA -0.369 3.952 4.320 0.001 0.000 0.220 340 A C 2.149 179.732 177.584 -0.002 0.000 1.253 340 A CA 3.724 55.759 52.037 -0.004 0.000 0.664 340 A CB -0.807 18.190 19.000 -0.005 0.000 0.838 340 A HN 0.744 nan 8.150 nan 0.000 0.460 341 R N -0.131 120.365 120.500 -0.006 0.000 2.122 341 R HA -0.202 4.138 4.340 0.001 0.000 0.236 341 R C 2.016 178.310 176.300 -0.010 0.000 1.129 341 R CA 2.504 58.603 56.100 -0.002 0.000 0.925 341 R CB -1.049 29.249 30.300 -0.003 0.000 0.850 341 R HN 0.466 nan 8.270 nan 0.000 0.431 342 R N -0.108 120.365 120.500 -0.046 0.000 2.244 342 R HA -0.178 4.163 4.340 0.001 0.000 0.252 342 R C 1.579 177.745 176.300 -0.224 0.000 1.177 342 R CA 2.132 58.160 56.100 -0.119 0.000 1.004 342 R CB -0.140 30.079 30.300 -0.134 0.000 0.873 342 R HN 0.566 nan 8.270 nan 0.000 0.469 343 E N -1.486 118.677 120.200 -0.062 0.000 2.453 343 E HA 0.034 4.385 4.350 0.001 0.000 0.211 343 E C -0.242 176.495 176.600 0.228 0.000 0.897 343 E CA 0.025 56.506 56.400 0.135 0.000 1.063 343 E CB 0.407 30.203 29.700 0.160 0.000 1.080 343 E HN 0.246 nan 8.360 nan 0.000 0.512 344 R N 1.506 122.072 120.500 0.110 0.000 2.893 344 R HA 0.269 4.609 4.340 0.001 0.000 0.243 344 R C -0.579 175.764 176.300 0.071 0.000 1.481 344 R CA -0.430 55.715 56.100 0.074 0.000 1.250 344 R CB -0.134 30.184 30.300 0.029 0.000 1.213 344 R HN -0.247 nan 8.270 nan 0.000 0.609 345 V N 3.533 123.512 119.914 0.108 0.000 2.644 345 V HA -0.084 4.037 4.120 0.001 0.000 0.303 345 V C 0.659 176.781 176.094 0.046 0.000 1.058 345 V CA 0.129 62.490 62.300 0.101 0.000 1.228 345 V CB 0.016 31.912 31.823 0.122 0.000 0.861 345 V HN 0.482 nan 8.190 nan 0.000 0.484 346 V N 5.820 125.763 119.914 0.048 0.000 2.498 346 V HA 0.311 4.432 4.120 0.001 0.000 0.279 346 V C -0.064 176.081 176.094 0.084 0.000 1.048 346 V CA -0.581 61.739 62.300 0.034 0.000 0.967 346 V CB 1.325 33.155 31.823 0.012 0.000 0.988 346 V HN 0.914 nan 8.190 nan 0.000 0.473 347 W N 5.056 126.271 121.300 -0.141 0.000 2.702 347 W HA 0.516 5.176 4.660 0.001 0.000 0.331 347 W C -0.802 175.661 176.519 -0.092 0.000 1.049 347 W CA -1.209 56.063 57.345 -0.122 0.000 1.230 347 W CB 1.913 31.249 29.460 -0.206 0.000 1.408 347 W HN 0.667 nan 8.180 nan 0.000 0.492 348 c N 5.602 124.274 118.600 0.120 0.000 2.273 348 c HA 0.789 5.359 4.570 0.001 0.000 0.328 348 c C 0.179 174.431 174.090 0.270 0.000 1.275 348 c CA -0.190 56.209 56.329 0.117 0.000 1.704 348 c CB -0.605 41.882 42.510 -0.038 0.000 2.326 348 c HN 0.612 nan 8.230 nan 0.000 0.517 349 A N 5.807 128.759 122.820 0.220 0.000 2.280 349 A HA 0.507 4.828 4.320 0.001 0.000 0.320 349 A C 0.046 177.669 177.584 0.064 0.000 1.366 349 A CA -0.272 51.877 52.037 0.185 0.000 0.938 349 A CB 0.433 19.508 19.000 0.126 0.000 1.157 349 A HN 0.992 nan 8.150 nan 0.000 0.536 350 V N 3.645 123.580 119.914 0.035 0.000 2.691 350 V HA 0.256 4.377 4.120 0.001 0.000 0.262 350 V C 1.306 177.361 176.094 -0.064 0.000 0.954 350 V CA 1.932 64.204 62.300 -0.047 0.000 1.171 350 V CB -1.703 30.081 31.823 -0.065 0.000 0.957 350 V HN 1.889 nan 8.190 nan 0.000 0.466 351 G N 6.599 115.362 108.800 -0.062 0.000 2.787 351 G HA2 -0.134 3.826 3.960 0.001 0.000 0.685 351 G HA3 -0.134 3.826 3.960 0.001 0.000 0.685 351 G C -1.530 173.349 174.900 -0.034 0.000 1.437 351 G CA -0.398 44.664 45.100 -0.064 0.000 0.872 351 G HN 0.527 nan 8.290 nan 0.000 0.566 352 P HA -0.069 nan 4.420 nan 0.000 0.218 352 P C 1.657 178.952 177.300 -0.009 0.000 1.146 352 P CA 1.405 64.493 63.100 -0.018 0.000 0.813 352 P CB 0.226 31.912 31.700 -0.023 0.000 0.778 353 E N 0.045 120.236 120.200 -0.015 0.000 2.051 353 E HA -0.197 4.154 4.350 0.001 0.000 0.192 353 E C 1.781 178.393 176.600 0.020 0.000 0.991 353 E CA 1.368 57.768 56.400 -0.000 0.000 0.799 353 E CB -0.251 29.439 29.700 -0.017 0.000 0.748 353 E HN 0.443 nan 8.360 nan 0.000 0.449 354 E N -0.000 120.211 120.200 0.019 0.000 2.276 354 E HA -0.063 4.288 4.350 0.001 0.000 0.193 354 E C 1.985 178.608 176.600 0.039 0.000 0.983 354 E CA -0.004 56.422 56.400 0.044 0.000 0.861 354 E CB 0.021 29.755 29.700 0.058 0.000 0.817 354 E HN 0.288 nan 8.360 nan 0.000 0.485 355 E N 1.896 122.109 120.200 0.022 0.000 2.114 355 E HA -0.267 4.084 4.350 0.001 0.000 0.199 355 E C 2.027 178.631 176.600 0.007 0.000 1.008 355 E CA 1.321 57.728 56.400 0.012 0.000 0.810 355 E CB 0.111 29.810 29.700 -0.000 0.000 0.739 355 E HN 0.149 nan 8.360 nan 0.000 0.456 356 R N 0.210 120.718 120.500 0.012 0.000 2.073 356 R HA -0.106 4.234 4.340 0.001 0.000 0.229 356 R C 2.581 178.895 176.300 0.022 0.000 1.120 356 R CA 1.352 57.459 56.100 0.012 0.000 0.967 356 R CB -0.343 29.966 30.300 0.015 0.000 0.862 356 R HN 0.128 nan 8.270 nan 0.000 0.436 357 K N 1.200 121.629 120.400 0.048 0.000 2.020 357 K HA -0.239 4.082 4.320 0.001 0.000 0.212 357 K C 2.386 179.034 176.600 0.080 0.000 1.050 357 K CA 2.033 58.372 56.287 0.087 0.000 0.929 357 K CB -0.463 32.111 32.500 0.124 0.000 0.714 357 K HN 0.279 nan 8.250 nan 0.000 0.443 358 c N 1.455 120.095 118.600 0.067 0.000 2.413 358 c HA -0.076 4.494 4.570 0.001 0.000 0.276 358 c C 2.295 176.354 174.090 -0.053 0.000 1.236 358 c CA 1.339 57.681 56.329 0.021 0.000 1.735 358 c CB -0.816 41.638 42.510 -0.094 0.000 2.031 358 c HN 0.521 nan 8.230 nan 0.000 0.474 359 K N 0.124 120.497 120.400 -0.045 0.000 2.015 359 K HA -0.293 4.028 4.320 0.001 0.000 0.216 359 K C 2.382 178.942 176.600 -0.066 0.000 1.052 359 K CA 2.419 58.672 56.287 -0.056 0.000 0.937 359 K CB -0.590 31.892 32.500 -0.031 0.000 0.719 359 K HN 0.677 nan 8.250 nan 0.000 0.446 360 Q N -0.280 119.487 119.800 -0.054 0.000 1.998 360 Q HA -0.244 4.097 4.340 0.001 0.000 0.209 360 Q C 1.969 177.868 176.000 -0.168 0.000 1.002 360 Q CA 1.994 57.745 55.803 -0.085 0.000 0.858 360 Q CB -0.303 28.396 28.738 -0.065 0.000 0.932 360 Q HN 0.465 nan 8.270 nan 0.000 0.416 361 W N 0.960 121.924 121.300 -0.560 0.000 2.331 361 W HA -0.198 4.463 4.660 0.001 0.000 0.291 361 W C 2.458 178.717 176.519 -0.433 0.000 1.214 361 W CA 1.881 58.743 57.345 -0.805 0.000 1.228 361 W CB -0.922 28.030 29.460 -0.847 0.000 1.135 361 W HN 0.220 nan 8.180 nan 0.000 0.537 362 S N -0.314 115.269 115.700 -0.195 0.000 2.419 362 S HA -0.180 4.291 4.470 0.001 0.000 0.233 362 S C 1.500 176.033 174.600 -0.112 0.000 1.016 362 S CA 1.723 59.794 58.200 -0.216 0.000 0.974 362 S CB -0.423 62.674 63.200 -0.172 0.000 0.786 362 S HN 0.242 nan 8.310 nan 0.000 0.492 363 D N 1.498 121.848 120.400 -0.083 0.000 2.144 363 D HA -0.020 4.620 4.640 0.001 0.000 0.207 363 D C 2.326 178.615 176.300 -0.017 0.000 0.970 363 D CA 1.586 55.559 54.000 -0.045 0.000 0.853 363 D CB -0.698 40.077 40.800 -0.042 0.000 1.007 363 D HN 0.514 nan 8.370 nan 0.000 0.469 364 V N 0.892 120.791 119.914 -0.026 0.000 2.667 364 V HA -0.124 3.996 4.120 0.001 0.000 0.252 364 V C 2.139 178.312 176.094 0.131 0.000 1.065 364 V CA 1.917 64.244 62.300 0.044 0.000 1.083 364 V CB -0.823 31.017 31.823 0.029 0.000 0.692 364 V HN 0.120 nan 8.190 nan 0.000 0.468 365 S N 0.826 116.603 115.700 0.127 0.000 2.528 365 S HA -0.235 4.235 4.470 0.001 0.000 0.244 365 S C 1.269 175.939 174.600 0.116 0.000 0.982 365 S CA 1.173 59.481 58.200 0.181 0.000 0.953 365 S CB -1.569 61.658 63.200 0.044 0.000 0.754 365 S HN 1.132 nan 8.310 nan 0.000 0.529 366 N N 0.564 119.308 118.700 0.074 0.000 2.780 366 N HA -0.253 4.488 4.740 0.001 0.000 0.247 366 N C 0.053 175.583 175.510 0.032 0.000 1.076 366 N CA 0.531 53.612 53.050 0.053 0.000 0.688 366 N CB -0.935 37.593 38.487 0.069 0.000 0.957 366 N HN 0.368 nan 8.380 nan 0.000 0.551 367 R N -1.299 119.205 120.500 0.008 0.000 3.741 367 R HA -0.218 4.123 4.340 0.001 0.000 0.292 367 R C 1.004 177.300 176.300 -0.006 0.000 1.176 367 R CA 1.663 57.755 56.100 -0.013 0.000 0.794 367 R CB -1.235 29.060 30.300 -0.008 0.000 1.213 367 R HN 0.519 nan 8.270 nan 0.000 0.494 368 K N -0.980 119.426 120.400 0.010 0.000 2.186 368 K HA 0.217 4.538 4.320 0.001 0.000 0.202 368 K C 0.317 176.909 176.600 -0.013 0.000 1.052 368 K CA 1.181 57.488 56.287 0.033 0.000 0.965 368 K CB 0.635 33.189 32.500 0.090 0.000 0.746 368 K HN 0.121 nan 8.250 nan 0.000 0.457 369 V N -0.448 119.396 119.914 -0.116 0.000 3.019 369 V HA 0.818 4.939 4.120 0.001 0.000 0.317 369 V C -0.873 175.071 176.094 -0.250 0.000 1.094 369 V CA -0.797 61.346 62.300 -0.263 0.000 1.000 369 V CB 1.755 33.155 31.823 -0.704 0.000 1.060 369 V HN 0.166 nan 8.190 nan 0.000 0.443 370 A N 1.423 124.108 122.820 -0.226 0.000 2.582 370 A HA 0.780 5.100 4.320 0.001 0.000 0.297 370 A C -0.821 176.695 177.584 -0.113 0.000 1.059 370 A CA -0.186 51.757 52.037 -0.156 0.000 0.705 370 A CB 1.154 20.102 19.000 -0.087 0.000 1.279 370 A HN 1.726 nan 8.150 nan 0.000 0.404 371 c N 0.091 118.635 118.600 -0.093 0.000 3.080 371 c HA 1.032 5.602 4.570 0.001 0.000 0.307 371 c C -0.073 174.007 174.090 -0.018 0.000 1.311 371 c CA -0.106 56.203 56.329 -0.032 0.000 1.533 371 c CB 1.074 43.575 42.510 -0.015 0.000 1.970 371 c HN 2.411 nan 8.230 nan 0.000 0.467 372 A N 1.717 124.539 122.820 0.003 0.000 2.375 372 A HA 0.826 5.147 4.320 0.001 0.000 0.295 372 A C -0.148 177.442 177.584 0.009 0.000 1.066 372 A CA 0.300 52.335 52.037 -0.004 0.000 0.722 372 A CB 1.087 20.080 19.000 -0.011 0.000 1.206 372 A HN 2.124 nan 8.150 nan 0.000 0.435 373 S N 1.409 117.112 115.700 0.005 0.000 2.730 373 S HA 0.903 5.374 4.470 0.001 0.000 0.284 373 S C 0.011 174.600 174.600 -0.018 0.000 1.153 373 S CA -0.001 58.204 58.200 0.008 0.000 0.995 373 S CB 1.732 64.938 63.200 0.009 0.000 1.058 373 S HN 2.239 nan 8.310 nan 0.000 0.552 374 A N 0.772 123.574 122.820 -0.031 0.000 2.427 374 A HA 0.666 4.987 4.320 0.001 0.000 0.298 374 A C 0.870 178.414 177.584 -0.066 0.000 1.036 374 A CA -0.335 51.673 52.037 -0.049 0.000 0.701 374 A CB 0.874 19.840 19.000 -0.056 0.000 1.250 374 A HN 1.156 nan 8.150 nan 0.000 0.412 375 S N 0.884 116.544 115.700 -0.066 0.000 2.513 375 S HA -0.299 4.172 4.470 0.001 0.000 0.311 375 S C 1.142 175.682 174.600 -0.100 0.000 1.227 375 S CA 2.601 60.756 58.200 -0.076 0.000 1.234 375 S CB -1.215 61.946 63.200 -0.065 0.000 1.244 375 S HN 1.916 nan 8.310 nan 0.000 0.445 376 T N -2.577 111.915 114.554 -0.103 0.000 2.906 376 T HA 0.588 4.938 4.350 0.001 0.000 0.295 376 T C 1.006 175.606 174.700 -0.166 0.000 1.061 376 T CA -0.094 61.931 62.100 -0.125 0.000 1.000 376 T CB 1.772 70.591 68.868 -0.082 0.000 1.103 376 T HN 0.307 nan 8.240 nan 0.000 0.486 377 T N 0.070 114.467 114.554 -0.262 0.000 2.649 377 T HA -0.275 4.075 4.350 0.001 0.000 0.268 377 T C 1.492 176.024 174.700 -0.279 0.000 1.036 377 T CA 2.136 64.005 62.100 -0.384 0.000 1.157 377 T CB -0.878 67.452 68.868 -0.897 0.000 0.861 377 T HN 0.723 nan 8.240 nan 0.000 0.445 378 E N 1.632 121.703 120.200 -0.216 0.000 2.068 378 E HA -0.226 4.125 4.350 0.001 0.000 0.207 378 E C 2.246 178.788 176.600 -0.096 0.000 1.032 378 E CA 2.072 58.404 56.400 -0.113 0.000 0.839 378 E CB -0.609 29.057 29.700 -0.057 0.000 0.758 378 E HN 0.793 nan 8.360 nan 0.000 0.457 379 E N 0.289 120.434 120.200 -0.092 0.000 2.110 379 E HA -0.150 4.201 4.350 0.001 0.000 0.193 379 E C 2.361 178.911 176.600 -0.083 0.000 0.988 379 E CA 1.031 57.385 56.400 -0.076 0.000 0.804 379 E CB -0.267 29.391 29.700 -0.070 0.000 0.745 379 E HN 0.224 nan 8.360 nan 0.000 0.458 380 c N 0.485 119.022 118.600 -0.105 0.000 2.413 380 c HA -0.167 4.403 4.570 0.001 0.000 0.278 380 c C 2.611 176.634 174.090 -0.112 0.000 1.224 380 c CA 0.423 56.689 56.329 -0.106 0.000 1.732 380 c CB -0.752 41.681 42.510 -0.128 0.000 2.050 380 c HN 0.340 nan 8.230 nan 0.000 0.463 381 I N 1.752 122.246 120.570 -0.127 0.000 2.069 381 I HA -0.261 3.910 4.170 0.001 0.000 0.237 381 I C 2.686 178.753 176.117 -0.083 0.000 1.053 381 I CA 2.160 63.393 61.300 -0.112 0.000 1.311 381 I CB -1.088 36.851 38.000 -0.102 0.000 1.030 381 I HN 0.328 nan 8.210 nan 0.000 0.398 382 A N 0.163 122.942 122.820 -0.068 0.000 1.909 382 A HA -0.316 4.004 4.320 0.001 0.000 0.221 382 A C 2.323 179.878 177.584 -0.048 0.000 1.223 382 A CA 2.541 54.548 52.037 -0.049 0.000 0.658 382 A CB -1.405 17.568 19.000 -0.045 0.000 0.831 382 A HN 0.487 nan 8.150 nan 0.000 0.462 383 L N 0.455 121.644 121.223 -0.057 0.000 2.051 383 L HA -0.198 4.142 4.340 0.001 0.000 0.214 383 L C 2.575 179.415 176.870 -0.049 0.000 1.076 383 L CA 2.784 57.594 54.840 -0.051 0.000 0.758 383 L CB -0.751 41.276 42.059 -0.055 0.000 0.890 383 L HN 0.531 nan 8.230 nan 0.000 0.433 384 V N -2.401 117.474 119.914 -0.064 0.000 2.343 384 V HA -0.245 3.876 4.120 0.001 0.000 0.247 384 V C 2.403 178.472 176.094 -0.041 0.000 1.051 384 V CA 1.914 64.176 62.300 -0.062 0.000 1.036 384 V CB -0.902 30.868 31.823 -0.089 0.000 0.654 384 V HN 0.488 nan 8.190 nan 0.000 0.451 385 L N -0.532 120.667 121.223 -0.040 0.000 2.046 385 L HA -0.125 4.215 4.340 0.001 0.000 0.208 385 L C 3.016 179.878 176.870 -0.014 0.000 1.077 385 L CA 2.102 56.928 54.840 -0.024 0.000 0.747 385 L CB -0.778 41.268 42.059 -0.021 0.000 0.896 385 L HN 0.336 nan 8.230 nan 0.000 0.432 386 K N -0.220 120.168 120.400 -0.019 0.000 2.209 386 K HA -0.114 4.207 4.320 0.001 0.000 0.204 386 K C 1.461 178.056 176.600 -0.009 0.000 1.048 386 K CA 1.119 57.397 56.287 -0.015 0.000 0.940 386 K CB -0.067 32.418 32.500 -0.025 0.000 0.729 386 K HN 0.529 nan 8.250 nan 0.000 0.451 387 G N 0.857 109.650 108.800 -0.013 0.000 2.176 387 G HA2 -0.216 3.745 3.960 0.001 0.000 0.232 387 G HA3 -0.216 3.745 3.960 0.001 0.000 0.232 387 G C 0.699 175.595 174.900 -0.006 0.000 0.986 387 G CA 0.391 45.489 45.100 -0.003 0.000 0.643 387 G HN 0.265 nan 8.290 nan 0.000 0.522 388 E N 0.405 120.596 120.200 -0.015 0.000 2.106 388 E HA 0.247 4.597 4.350 0.001 0.000 0.192 388 E C 1.707 178.298 176.600 -0.014 0.000 0.984 388 E CA 1.338 57.729 56.400 -0.014 0.000 0.806 388 E CB -0.231 29.456 29.700 -0.021 0.000 0.750 388 E HN 1.095 nan 8.360 nan 0.000 0.458 389 A N 0.812 123.617 122.820 -0.025 0.000 2.282 389 A HA 0.397 4.718 4.320 0.001 0.000 0.324 389 A C 0.012 177.571 177.584 -0.041 0.000 1.119 389 A CA -0.491 51.527 52.037 -0.032 0.000 0.880 389 A CB 0.973 19.945 19.000 -0.047 0.000 1.294 389 A HN -0.156 nan 8.150 nan 0.000 0.493 390 D N -1.098 119.269 120.400 -0.055 0.000 2.626 390 D HA 0.465 5.106 4.640 0.001 0.000 0.274 390 D C 0.434 176.641 176.300 -0.155 0.000 1.045 390 D CA 1.440 55.401 54.000 -0.064 0.000 0.925 390 D CB 0.725 41.524 40.800 -0.003 0.000 1.260 390 D HN 0.809 nan 8.370 nan 0.000 0.490 391 A N -0.122 122.520 122.820 -0.297 0.000 2.581 391 A HA 0.744 5.064 4.320 0.001 0.000 0.290 391 A C -2.127 174.727 177.584 -1.217 0.000 1.119 391 A CA -0.676 51.009 52.037 -0.587 0.000 0.670 391 A CB 1.273 19.954 19.000 -0.531 0.000 1.280 391 A HN 0.171 nan 8.150 nan 0.000 0.425 392 L N -1.845 118.643 121.223 -1.225 0.000 2.731 392 L HA 0.636 4.976 4.340 0.001 0.000 0.256 392 L C -1.018 175.554 176.870 -0.496 0.000 0.947 392 L CA -0.780 53.372 54.840 -1.147 0.000 0.914 392 L CB 1.149 42.911 42.059 -0.496 0.000 1.470 392 L HN 0.699 nan 8.230 nan 0.000 0.421 393 N N 2.008 120.630 118.700 -0.131 0.000 2.442 393 N HA 0.448 5.189 4.740 0.001 0.000 0.265 393 N C -1.129 174.413 175.510 0.053 0.000 1.138 393 N CA -0.045 53.029 53.050 0.040 0.000 0.956 393 N CB 0.538 39.024 38.487 -0.001 0.000 1.067 393 N HN 0.841 nan 8.380 nan 0.000 0.474 394 L N 1.926 123.191 121.223 0.069 0.000 2.344 394 L HA 0.363 4.704 4.340 0.001 0.000 0.272 394 L C 0.127 177.042 176.870 0.075 0.000 1.035 394 L CA -1.006 53.880 54.840 0.077 0.000 0.807 394 L CB 1.416 43.493 42.059 0.031 0.000 1.237 394 L HN 0.661 nan 8.230 nan 0.000 0.442 395 D N 0.793 121.222 120.400 0.050 0.000 2.304 395 D HA 0.251 4.892 4.640 0.001 0.000 0.247 395 D C 1.164 177.320 176.300 -0.240 0.000 1.089 395 D CA 0.252 53.923 54.000 -0.548 0.000 0.910 395 D CB 1.874 42.510 40.800 -0.274 0.000 1.199 395 D HN 0.598 nan 8.370 nan 0.000 0.426 396 G N 2.551 111.166 108.800 -0.308 0.000 2.764 396 G HA2 -0.358 3.603 3.960 0.001 0.000 0.219 396 G HA3 -0.358 3.603 3.960 0.001 0.000 0.219 396 G C 1.426 176.229 174.900 -0.161 0.000 1.259 396 G CA 1.119 46.096 45.100 -0.206 0.000 0.793 396 G HN 0.700 nan 8.290 nan 0.000 0.633 397 G N 0.054 108.763 108.800 -0.152 0.000 2.513 397 G HA2 -0.231 3.729 3.960 0.001 0.000 0.219 397 G HA3 -0.231 3.729 3.960 0.001 0.000 0.219 397 G C 1.683 176.531 174.900 -0.087 0.000 1.160 397 G CA 1.216 46.211 45.100 -0.175 0.000 0.767 397 G HN 0.311 nan 8.290 nan 0.000 0.571 398 F N 1.039 120.963 119.950 -0.044 0.000 2.134 398 F HA 0.041 4.569 4.527 0.001 0.000 0.299 398 F C 2.751 178.531 175.800 -0.032 0.000 1.097 398 F CA 0.326 58.306 58.000 -0.033 0.000 1.264 398 F CB -0.631 38.343 39.000 -0.044 0.000 1.001 398 F HN 0.092 nan 8.300 nan 0.000 0.479 399 I N -1.201 119.454 120.570 0.142 0.000 2.264 399 I HA -0.377 3.794 4.170 0.001 0.000 0.248 399 I C 2.402 178.499 176.117 -0.033 0.000 1.111 399 I CA 1.455 62.774 61.300 0.032 0.000 1.382 399 I CB -0.870 37.128 38.000 -0.003 0.000 1.060 399 I HN 0.138 nan 8.210 nan 0.000 0.418 400 Y N 2.182 122.401 120.300 -0.135 0.000 2.062 400 Y HA -0.348 4.202 4.550 0.001 0.000 0.276 400 Y C 2.404 178.127 175.900 -0.294 0.000 1.189 400 Y CA 2.200 60.196 58.100 -0.174 0.000 1.130 400 Y CB -0.934 37.460 38.460 -0.110 0.000 0.959 400 Y HN -0.055 nan 8.280 nan 0.000 0.499 401 V N 1.054 121.094 119.914 0.209 0.000 2.255 401 V HA -0.367 3.753 4.120 0.001 0.000 0.247 401 V C 2.833 178.812 176.094 -0.191 0.000 1.051 401 V CA 2.137 64.493 62.300 0.094 0.000 1.018 401 V CB -1.997 29.931 31.823 0.175 0.000 0.641 401 V HN 0.645 nan 8.190 nan 0.000 0.445 402 A N 0.869 123.580 122.820 -0.182 0.000 1.869 402 A HA -0.225 4.095 4.320 0.001 0.000 0.218 402 A C 2.473 179.833 177.584 -0.373 0.000 1.203 402 A CA 2.624 54.532 52.037 -0.213 0.000 0.638 402 A CB -1.587 17.322 19.000 -0.152 0.000 0.831 402 A HN 0.566 nan 8.150 nan 0.000 0.450 403 G N -0.631 107.729 108.800 -0.733 0.000 2.514 403 G HA2 -0.295 3.665 3.960 0.001 0.000 0.217 403 G HA3 -0.295 3.665 3.960 0.001 0.000 0.217 403 G C 1.572 175.951 174.900 -0.869 0.000 1.198 403 G CA 1.179 45.541 45.100 -1.231 0.000 0.780 403 G HN 0.413 nan 8.290 nan 0.000 0.565 404 K N -0.117 119.721 120.400 -0.936 0.000 2.362 404 K HA -0.080 4.241 4.320 0.001 0.000 0.202 404 K C 2.236 178.733 176.600 -0.171 0.000 1.045 404 K CA 0.873 56.944 56.287 -0.361 0.000 0.936 404 K CB -0.521 31.761 32.500 -0.362 0.000 0.747 404 K HN 0.433 nan 8.250 nan 0.000 0.467 405 c N -1.404 117.078 118.600 -0.197 0.000 2.865 405 c HA 0.265 4.835 4.570 0.001 0.000 0.280 405 c C 1.405 175.451 174.090 -0.072 0.000 1.255 405 c CA 0.217 56.489 56.329 -0.097 0.000 1.705 405 c CB 0.005 42.462 42.510 -0.088 0.000 2.080 405 c HN 0.638 nan 8.230 nan 0.000 0.591 406 G N 0.307 109.050 108.800 -0.094 0.000 2.148 406 G HA2 -0.119 3.842 3.960 0.001 0.000 0.157 406 G HA3 -0.119 3.842 3.960 0.001 0.000 0.157 406 G C -0.432 174.449 174.900 -0.032 0.000 1.012 406 G CA -0.525 44.557 45.100 -0.031 0.000 0.677 406 G HN 0.302 nan 8.290 nan 0.000 0.506 407 L N 0.609 121.783 121.223 -0.081 0.000 2.334 407 L HA 0.796 5.136 4.340 0.001 0.000 0.277 407 L C 0.578 177.442 176.870 -0.011 0.000 1.075 407 L CA -0.785 54.022 54.840 -0.055 0.000 0.804 407 L CB 1.812 43.822 42.059 -0.083 0.000 1.174 407 L HN 0.163 nan 8.230 nan 0.000 0.438 408 V N 4.625 124.553 119.914 0.023 0.000 2.628 408 V HA 0.677 4.798 4.120 0.001 0.000 0.306 408 V C -2.312 173.820 176.094 0.063 0.000 1.045 408 V CA -2.288 60.052 62.300 0.066 0.000 0.905 408 V CB 2.351 34.212 31.823 0.063 0.000 0.997 408 V HN 0.635 nan 8.190 nan 0.000 0.436 409 P HA 0.150 nan 4.420 nan 0.000 0.268 409 P C -0.137 177.193 177.300 0.049 0.000 1.205 409 P CA 0.285 63.450 63.100 0.109 0.000 0.771 409 P CB 1.540 33.347 31.700 0.177 0.000 0.858 410 V N 2.791 122.729 119.914 0.041 0.000 4.566 410 V HA 0.262 4.383 4.120 0.001 0.000 0.178 410 V C 0.605 176.711 176.094 0.020 0.000 1.015 410 V CA -0.045 62.275 62.300 0.033 0.000 1.443 410 V CB -0.435 31.405 31.823 0.029 0.000 2.066 410 V HN 0.279 nan 8.190 nan 0.000 0.437 411 L N 1.028 122.255 121.223 0.008 0.000 2.325 411 L HA 0.777 5.117 4.340 0.001 0.000 0.278 411 L C 0.149 177.032 176.870 0.021 0.000 1.023 411 L CA -0.490 54.337 54.840 -0.022 0.000 0.811 411 L CB 0.786 42.767 42.059 -0.130 0.000 1.249 411 L HN 0.543 nan 8.230 nan 0.000 0.431 412 A N 2.394 125.224 122.820 0.018 0.000 2.316 412 A HA 0.342 4.663 4.320 0.001 0.000 0.284 412 A C 0.337 177.949 177.584 0.046 0.000 1.115 412 A CA -0.490 51.607 52.037 0.100 0.000 0.812 412 A CB 0.280 19.349 19.000 0.116 0.000 1.064 412 A HN 0.706 nan 8.150 nan 0.000 0.489 413 E N 1.918 122.176 120.200 0.098 0.000 1.833 413 E HA -0.035 4.315 4.350 0.001 0.000 0.258 413 E C -0.576 176.033 176.600 0.015 0.000 1.257 413 E CA -0.070 56.347 56.400 0.030 0.000 1.003 413 E CB -0.110 29.642 29.700 0.087 0.000 1.068 413 E HN 0.508 nan 8.360 nan 0.000 0.422 414 N N 1.880 120.572 118.700 -0.014 0.000 2.497 414 N HA -0.030 4.710 4.740 0.001 0.000 0.271 414 N C 0.718 176.243 175.510 0.025 0.000 1.142 414 N CA 0.092 53.155 53.050 0.022 0.000 0.965 414 N CB 0.977 39.485 38.487 0.035 0.000 1.077 414 N HN 0.200 nan 8.380 nan 0.000 0.462 415 Q N 2.438 122.263 119.800 0.042 0.000 2.308 415 Q HA -0.188 4.153 4.340 0.001 0.000 0.209 415 Q C 0.498 176.525 176.000 0.046 0.000 0.985 415 Q CA 1.345 57.177 55.803 0.048 0.000 0.881 415 Q CB -0.196 28.579 28.738 0.060 0.000 0.917 415 Q HN 0.795 nan 8.270 nan 0.000 0.443 416 K N -0.075 120.354 120.400 0.048 0.000 3.472 416 K HA -0.222 4.098 4.320 0.001 0.000 0.315 416 K C -0.803 175.821 176.600 0.040 0.000 1.320 416 K CA 0.489 56.805 56.287 0.047 0.000 0.962 416 K CB -1.815 30.713 32.500 0.047 0.000 1.251 416 K HN 0.437 nan 8.250 nan 0.000 0.443 417 S N 0.686 116.412 115.700 0.042 0.000 2.559 417 S HA 0.093 4.563 4.470 0.001 0.000 0.282 417 S C 0.106 174.725 174.600 0.033 0.000 1.336 417 S CA -0.083 58.140 58.200 0.038 0.000 1.037 417 S CB 0.963 64.189 63.200 0.043 0.000 0.853 417 S HN 0.337 nan 8.310 nan 0.000 0.523 418 Q N 1.515 121.331 119.800 0.027 0.000 2.205 418 Q HA 0.654 4.995 4.340 0.001 0.000 0.249 418 Q C 0.327 176.339 176.000 0.021 0.000 0.948 418 Q CA -0.339 55.478 55.803 0.022 0.000 0.895 418 Q CB 0.958 29.707 28.738 0.018 0.000 1.249 418 Q HN 0.970 nan 8.270 nan 0.000 0.458 419 N N -2.122 116.589 118.700 0.018 0.000 2.500 419 N HA -0.018 4.722 4.740 0.001 0.000 0.290 419 N C -1.030 174.489 175.510 0.014 0.000 0.972 419 N CA 0.049 53.109 53.050 0.016 0.000 1.622 419 N CB 0.327 38.825 38.487 0.019 0.000 2.198 419 N HN 0.254 nan 8.380 nan 0.000 1.246 420 S N 0.362 116.072 115.700 0.017 0.000 2.465 420 S HA 0.350 4.821 4.470 0.001 0.000 0.186 420 S C -1.788 172.825 174.600 0.021 0.000 0.839 420 S CA -0.858 57.351 58.200 0.015 0.000 1.037 420 S CB 0.144 63.351 63.200 0.012 0.000 1.407 420 S HN 0.360 nan 8.310 nan 0.000 0.396 421 N N 2.120 120.833 118.700 0.022 0.000 2.515 421 N HA 0.898 5.638 4.740 0.001 0.000 0.279 421 N C 0.026 175.553 175.510 0.028 0.000 1.164 421 N CA -0.294 52.772 53.050 0.028 0.000 0.982 421 N CB 1.542 40.044 38.487 0.025 0.000 1.170 421 N HN 0.825 nan 8.380 nan 0.000 0.474 422 A N 0.819 123.662 122.820 0.037 0.000 2.452 422 A HA 0.382 4.702 4.320 0.001 0.000 0.294 422 A C -2.374 175.242 177.584 0.054 0.000 1.010 422 A CA -0.749 51.311 52.037 0.039 0.000 0.613 422 A CB 0.244 19.268 19.000 0.040 0.000 1.363 422 A HN 0.449 nan 8.150 nan 0.000 0.463 423 P HA -0.112 nan 4.420 nan 0.000 0.229 423 P C 0.469 177.828 177.300 0.099 0.000 1.150 423 P CA 1.562 64.695 63.100 0.056 0.000 0.765 423 P CB -0.351 31.370 31.700 0.034 0.000 0.783 424 D N -0.271 120.217 120.400 0.146 0.000 2.362 424 D HA -0.211 4.429 4.640 0.001 0.000 0.215 424 D C 1.831 178.292 176.300 0.268 0.000 0.978 424 D CA 0.666 54.822 54.000 0.259 0.000 0.921 424 D CB -1.739 39.144 40.800 0.137 0.000 0.895 424 D HN 0.223 nan 8.370 nan 0.000 0.494 425 c N 0.392 119.084 118.600 0.154 0.000 2.393 425 c HA -0.211 4.359 4.570 0.001 0.000 0.276 425 c C 2.722 176.908 174.090 0.160 0.000 1.215 425 c CA 1.266 57.675 56.329 0.134 0.000 1.743 425 c CB -1.215 41.355 42.510 0.100 0.000 2.044 425 c HN 0.317 nan 8.230 nan 0.000 0.464 426 V N 1.610 121.590 119.914 0.111 0.000 2.352 426 V HA -0.210 3.910 4.120 0.001 0.000 0.263 426 V C 0.891 177.036 176.094 0.085 0.000 1.103 426 V CA 2.561 64.900 62.300 0.065 0.000 1.099 426 V CB -1.290 30.414 31.823 -0.198 0.000 0.685 426 V HN 0.974 nan 8.190 nan 0.000 0.455 427 H N -1.642 117.487 119.070 0.098 0.000 3.198 427 H HA 0.797 5.354 4.556 0.001 0.000 0.317 427 H C -0.619 174.734 175.328 0.041 0.000 1.178 427 H CA -1.212 54.875 56.048 0.065 0.000 1.609 427 H CB 0.060 29.838 29.762 0.026 0.000 1.819 427 H HN 0.292 nan 8.280 nan 0.000 0.533 428 R N 2.196 122.805 120.500 0.183 0.000 2.771 428 R HA 0.486 4.826 4.340 0.001 0.000 0.274 428 R C -2.891 173.447 176.300 0.063 0.000 0.987 428 R CA -2.221 53.939 56.100 0.099 0.000 0.908 428 R CB 2.435 32.797 30.300 0.103 0.000 1.213 428 R HN 0.393 nan 8.270 nan 0.000 0.468 429 P HA 0.120 nan 4.420 nan 0.000 0.267 429 P C -2.658 174.671 177.300 0.049 0.000 1.205 429 P CA -1.251 61.870 63.100 0.036 0.000 0.765 429 P CB 0.413 32.129 31.700 0.026 0.000 0.828 430 P HA 0.141 nan 4.420 nan 0.000 0.271 430 P C 0.468 177.807 177.300 0.065 0.000 1.233 430 P CA 0.317 63.460 63.100 0.072 0.000 0.764 430 P CB 0.291 32.060 31.700 0.116 0.000 0.825 431 E N 2.661 122.895 120.200 0.057 0.000 2.511 431 E HA 0.121 4.472 4.350 0.001 0.000 0.196 431 E C 1.501 178.137 176.600 0.060 0.000 1.066 431 E CA 0.656 57.090 56.400 0.056 0.000 0.871 431 E CB -0.752 28.982 29.700 0.056 0.000 0.863 431 E HN 0.649 nan 8.360 nan 0.000 0.520 432 G N 0.497 109.315 108.800 0.030 0.000 2.578 432 G HA2 -0.275 3.686 3.960 0.001 0.000 0.284 432 G HA3 -0.275 3.686 3.960 0.001 0.000 0.284 432 G C -0.449 174.470 174.900 0.033 0.000 1.283 432 G CA 0.447 45.519 45.100 -0.046 0.000 0.944 432 G HN 0.265 nan 8.290 nan 0.000 0.558 433 Y N -3.189 117.178 120.300 0.111 0.000 2.638 433 Y HA 0.737 5.287 4.550 0.001 0.000 0.335 433 Y C -0.733 175.236 175.900 0.114 0.000 1.155 433 Y CA -2.687 55.477 58.100 0.107 0.000 1.046 433 Y CB 0.673 39.208 38.460 0.125 0.000 1.303 433 Y HN 0.683 nan 8.280 nan 0.000 0.460 434 L N 2.939 124.339 121.223 0.295 0.000 2.277 434 L HA 0.792 5.132 4.340 0.001 0.000 0.284 434 L C 0.215 177.139 176.870 0.091 0.000 1.028 434 L CA -1.007 53.955 54.840 0.203 0.000 0.835 434 L CB 1.138 43.272 42.059 0.126 0.000 1.215 434 L HN 0.918 nan 8.230 nan 0.000 0.425 435 A N 4.141 126.994 122.820 0.055 0.000 2.340 435 A HA 0.762 5.083 4.320 0.001 0.000 0.268 435 A C -0.221 177.354 177.584 -0.015 0.000 1.100 435 A CA -0.333 51.671 52.037 -0.054 0.000 0.803 435 A CB 0.927 19.868 19.000 -0.099 0.000 1.043 435 A HN 0.556 nan 8.150 nan 0.000 0.488 436 V N -1.998 117.900 119.914 -0.027 0.000 3.077 436 V HA 0.770 4.890 4.120 0.001 0.000 0.299 436 V C -0.101 176.004 176.094 0.018 0.000 1.276 436 V CA -0.427 61.869 62.300 -0.007 0.000 0.993 436 V CB 1.262 33.084 31.823 -0.003 0.000 1.076 436 V HN 1.684 nan 8.190 nan 0.000 0.434 437 A N 2.492 125.339 122.820 0.044 0.000 3.015 437 A HA 0.632 4.953 4.320 0.001 0.000 0.293 437 A C 0.036 177.619 177.584 -0.001 0.000 1.572 437 A CA -0.254 51.836 52.037 0.088 0.000 1.274 437 A CB -0.019 19.120 19.000 0.232 0.000 1.156 437 A HN 1.606 nan 8.150 nan 0.000 0.562 438 V N 4.342 124.213 119.914 -0.071 0.000 2.479 438 V HA 0.314 4.434 4.120 0.001 0.000 0.281 438 V C 0.406 176.499 176.094 -0.002 0.000 1.031 438 V CA 0.209 62.484 62.300 -0.043 0.000 1.038 438 V CB 0.770 32.518 31.823 -0.124 0.000 0.981 438 V HN 0.745 nan 8.190 nan 0.000 0.478 439 V N 5.838 125.802 119.914 0.083 0.000 2.834 439 V HA 0.660 4.781 4.120 0.001 0.000 0.313 439 V C 0.232 176.459 176.094 0.221 0.000 1.060 439 V CA -1.204 61.167 62.300 0.118 0.000 0.989 439 V CB 1.418 33.307 31.823 0.110 0.000 1.041 439 V HN 0.965 nan 8.190 nan 0.000 0.459 440 R N 1.248 121.871 120.500 0.206 0.000 2.442 440 R HA 0.274 4.615 4.340 0.001 0.000 0.291 440 R C 0.766 177.093 176.300 0.045 0.000 1.069 440 R CA -0.450 55.754 56.100 0.173 0.000 1.022 440 R CB 0.535 30.892 30.300 0.095 0.000 0.976 440 R HN 0.834 nan 8.270 nan 0.000 0.443 441 K N 2.912 123.277 120.400 -0.059 0.000 1.969 441 K HA -0.202 4.119 4.320 0.001 0.000 0.223 441 K C 1.611 178.190 176.600 -0.034 0.000 1.048 441 K CA 2.395 58.656 56.287 -0.042 0.000 0.983 441 K CB -0.843 31.601 32.500 -0.093 0.000 0.738 441 K HN 0.632 nan 8.250 nan 0.000 0.446 442 S N 0.865 116.524 115.700 -0.068 0.000 2.425 442 S HA -0.244 4.226 4.470 0.001 0.000 0.256 442 S C 1.082 175.672 174.600 -0.016 0.000 1.101 442 S CA 2.220 60.394 58.200 -0.043 0.000 1.188 442 S CB -1.052 62.114 63.200 -0.056 0.000 1.085 442 S HN 0.558 nan 8.310 nan 0.000 0.439 443 D N 1.419 121.815 120.400 -0.007 0.000 2.417 443 D HA 0.231 4.872 4.640 0.001 0.000 0.240 443 D C 1.471 177.783 176.300 0.021 0.000 1.062 443 D CA 0.673 54.679 54.000 0.010 0.000 0.959 443 D CB -0.605 40.207 40.800 0.019 0.000 0.877 443 D HN 0.412 nan 8.370 nan 0.000 0.528 444 A N 1.361 124.193 122.820 0.020 0.000 1.698 444 A HA -0.488 3.833 4.320 0.001 0.000 0.304 444 A C 1.977 179.583 177.584 0.037 0.000 3.354 444 A CA 2.764 54.819 52.037 0.029 0.000 0.884 444 A CB -1.481 17.531 19.000 0.021 0.000 0.798 444 A HN 0.457 nan 8.150 nan 0.000 0.543 445 D N -0.917 119.500 120.400 0.028 0.000 2.149 445 D HA -0.151 4.490 4.640 0.001 0.000 0.194 445 D C 0.975 177.297 176.300 0.038 0.000 1.001 445 D CA 1.200 55.218 54.000 0.029 0.000 0.849 445 D CB -0.360 40.450 40.800 0.017 0.000 0.939 445 D HN 0.555 nan 8.370 nan 0.000 0.449 446 L N 1.974 123.220 121.223 0.039 0.000 2.737 446 L HA 0.140 4.481 4.340 0.001 0.000 0.288 446 L C 0.181 177.102 176.870 0.086 0.000 1.185 446 L CA 0.438 55.306 54.840 0.047 0.000 1.127 446 L CB -0.747 41.342 42.059 0.049 0.000 1.432 446 L HN 0.204 nan 8.230 nan 0.000 0.449 447 T N 0.917 115.525 114.554 0.091 0.000 2.990 447 T HA 0.112 4.462 4.350 0.001 0.000 0.296 447 T C 0.928 175.772 174.700 0.241 0.000 1.189 447 T CA -0.132 62.062 62.100 0.157 0.000 0.938 447 T CB -0.173 68.775 68.868 0.133 0.000 1.994 447 T HN 0.648 nan 8.240 nan 0.000 0.584 448 W N 1.171 122.498 121.300 0.045 0.000 1.718 448 W HA -0.172 4.488 4.660 0.001 0.000 0.281 448 W C 2.125 178.676 176.519 0.054 0.000 0.894 448 W CA 1.058 58.433 57.345 0.051 0.000 0.995 448 W CB -0.705 28.776 29.460 0.035 0.000 1.109 448 W HN 0.716 nan 8.180 nan 0.000 0.503 449 N N 0.107 118.437 118.700 -0.616 0.000 2.122 449 N HA -0.348 4.392 4.740 0.001 0.000 0.199 449 N C 1.818 177.111 175.510 -0.362 0.000 1.007 449 N CA 3.221 55.926 53.050 -0.575 0.000 0.892 449 N CB -0.519 37.821 38.487 -0.246 0.000 1.050 449 N HN 0.185 nan 8.380 nan 0.000 0.468 450 S N 0.678 116.259 115.700 -0.199 0.000 2.441 450 S HA -0.198 4.272 4.470 0.001 0.000 0.242 450 S C 1.806 176.316 174.600 -0.150 0.000 1.018 450 S CA 1.226 59.350 58.200 -0.127 0.000 0.988 450 S CB -0.877 62.290 63.200 -0.055 0.000 0.778 450 S HN 0.315 nan 8.310 nan 0.000 0.498 451 L N 1.990 123.108 121.223 -0.175 0.000 2.151 451 L HA -0.129 4.211 4.340 0.001 0.000 0.215 451 L C 1.256 177.854 176.870 -0.453 0.000 1.084 451 L CA 1.040 55.756 54.840 -0.207 0.000 0.764 451 L CB -2.046 39.936 42.059 -0.128 0.000 0.891 451 L HN 0.165 nan 8.230 nan 0.000 0.435 452 S N 1.430 116.888 115.700 -0.402 0.000 3.864 452 S HA 0.128 4.598 4.470 0.001 0.000 0.350 452 S C 1.268 175.498 174.600 -0.616 0.000 0.583 452 S CA 0.628 58.509 58.200 -0.532 0.000 1.690 452 S CB -1.560 61.523 63.200 -0.195 0.000 1.356 452 S HN 0.870 nan 8.310 nan 0.000 0.468 453 G N 1.194 109.404 108.800 -0.984 0.000 2.370 453 G HA2 -0.193 3.767 3.960 0.001 0.000 0.268 453 G HA3 -0.193 3.767 3.960 0.001 0.000 0.268 453 G C -0.066 174.651 174.900 -0.305 0.000 1.122 453 G CA -0.188 44.596 45.100 -0.527 0.000 0.963 453 G HN 0.528 nan 8.290 nan 0.000 0.500 454 K N -0.545 119.666 120.400 -0.315 0.000 2.380 454 K HA 0.579 4.900 4.320 0.001 0.000 0.243 454 K C 0.483 177.296 176.600 0.355 0.000 1.071 454 K CA -0.740 55.567 56.287 0.033 0.000 0.942 454 K CB 0.923 33.458 32.500 0.059 0.000 1.324 454 K HN 0.206 nan 8.250 nan 0.000 0.517 455 K N 0.672 121.233 120.400 0.269 0.000 2.183 455 K HA 0.314 4.634 4.320 0.001 0.000 0.274 455 K C -0.506 176.143 176.600 0.081 0.000 1.009 455 K CA -0.138 56.254 56.287 0.175 0.000 0.888 455 K CB 1.489 34.045 32.500 0.093 0.000 1.078 455 K HN 0.329 nan 8.250 nan 0.000 0.459 456 S N 1.522 117.118 115.700 -0.174 0.000 2.570 456 S HA 0.475 4.946 4.470 0.001 0.000 0.286 456 S C -1.145 173.134 174.600 -0.535 0.000 1.099 456 S CA -0.693 57.192 58.200 -0.526 0.000 0.913 456 S CB 0.910 63.265 63.200 -1.408 0.000 1.085 456 S HN 0.684 nan 8.310 nan 0.000 0.480 457 c N 4.089 122.213 118.600 -0.793 0.000 2.329 457 c HA 0.716 5.286 4.570 0.001 0.000 0.329 457 c C -0.524 172.988 174.090 -0.963 0.000 1.275 457 c CA -0.732 55.183 56.329 -0.690 0.000 1.726 457 c CB -0.291 41.909 42.510 -0.517 0.000 2.291 457 c HN 0.805 nan 8.230 nan 0.000 0.514 458 H N 1.031 120.056 119.070 -0.075 0.000 2.806 458 H HA 0.269 4.825 4.556 0.001 0.000 0.367 458 H C 0.605 175.900 175.328 -0.054 0.000 1.136 458 H CA -0.252 55.809 56.048 0.021 0.000 1.178 458 H CB 1.686 31.530 29.762 0.137 0.000 1.718 458 H HN 0.664 nan 8.280 nan 0.000 0.540 459 T N -0.457 114.094 114.554 -0.006 0.000 2.995 459 T HA 0.267 4.618 4.350 0.001 0.000 0.269 459 T C 1.050 175.648 174.700 -0.169 0.000 1.091 459 T CA 0.559 62.560 62.100 -0.165 0.000 1.128 459 T CB 0.324 69.018 68.868 -0.290 0.000 0.891 459 T HN 0.853 nan 8.240 nan 0.000 0.492 460 G N 0.379 109.172 108.800 -0.012 0.000 2.336 460 G HA2 0.393 4.354 3.960 0.001 0.000 0.300 460 G HA3 0.393 4.354 3.960 0.001 0.000 0.300 460 G C -1.172 173.619 174.900 -0.182 0.000 1.375 460 G CA -0.554 44.511 45.100 -0.058 0.000 0.885 460 G HN 0.759 nan 8.290 nan 0.000 0.599 461 V N -1.318 118.254 119.914 -0.569 0.000 2.743 461 V HA 0.819 4.939 4.120 0.001 0.000 0.301 461 V C 1.641 177.068 176.094 -1.111 0.000 1.057 461 V CA 0.487 61.810 62.300 -1.629 0.000 1.006 461 V CB 0.787 31.676 31.823 -1.557 0.000 1.024 461 V HN 2.910 nan 8.190 nan 0.000 0.473 462 G N 1.478 109.450 108.800 -1.380 0.000 2.186 462 G HA2 -0.301 3.659 3.960 0.001 0.000 0.266 462 G HA3 -0.301 3.659 3.960 0.001 0.000 0.266 462 G C 0.419 175.039 174.900 -0.466 0.000 0.982 462 G CA 0.992 45.787 45.100 -0.510 0.000 0.670 462 G HN 1.170 nan 8.290 nan 0.000 0.533 463 R N -0.251 120.015 120.500 -0.390 0.000 2.787 463 R HA 0.627 4.967 4.340 0.001 0.000 0.271 463 R C 1.441 177.705 176.300 -0.060 0.000 0.993 463 R CA 0.142 55.979 56.100 -0.439 0.000 0.993 463 R CB 0.782 30.813 30.300 -0.449 0.000 1.155 463 R HN 0.099 nan 8.270 nan 0.000 0.486 464 T N 1.810 116.363 114.554 -0.002 0.000 4.399 464 T HA -0.017 4.333 4.350 0.001 0.000 0.207 464 T C 1.653 176.351 174.700 -0.004 0.000 0.948 464 T CA 0.830 63.011 62.100 0.135 0.000 2.140 464 T CB -0.718 68.361 68.868 0.352 0.000 1.283 464 T HN 0.798 nan 8.240 nan 0.000 0.301 465 A N 1.454 124.236 122.820 -0.063 0.000 3.591 465 A HA -0.316 4.005 4.320 0.001 0.000 0.335 465 A C 2.301 179.734 177.584 -0.252 0.000 3.074 465 A CA 3.910 55.704 52.037 -0.405 0.000 0.902 465 A CB -1.855 16.510 19.000 -1.057 0.000 1.059 465 A HN 1.277 nan 8.150 nan 0.000 0.428 466 A N -3.709 119.011 122.820 -0.166 0.000 1.909 466 A HA 0.287 4.608 4.320 0.001 0.000 0.209 466 A C 1.931 179.451 177.584 -0.108 0.000 1.247 466 A CA 1.102 53.150 52.037 0.019 0.000 0.660 466 A CB -0.820 18.358 19.000 0.297 0.000 0.910 466 A HN 1.016 nan 8.150 nan 0.000 0.465 467 W N 1.565 122.756 121.300 -0.182 0.000 1.854 467 W HA -0.237 4.424 4.660 0.001 0.000 0.292 467 W C 1.754 178.111 176.519 -0.270 0.000 0.987 467 W CA 1.954 59.155 57.345 -0.240 0.000 1.018 467 W CB -0.742 28.574 29.460 -0.239 0.000 1.128 467 W HN 0.387 nan 8.180 nan 0.000 0.492 468 N N 0.712 119.376 118.700 -0.060 0.000 2.150 468 N HA -0.303 4.438 4.740 0.001 0.000 0.196 468 N C 1.319 176.634 175.510 -0.324 0.000 0.982 468 N CA 3.180 56.149 53.050 -0.136 0.000 0.896 468 N CB -1.316 37.244 38.487 0.122 0.000 1.077 468 N HN 0.203 nan 8.380 nan 0.000 0.621 469 I N 1.177 121.557 120.570 -0.318 0.000 2.052 469 I HA -0.201 3.970 4.170 0.001 0.000 0.235 469 I C -0.650 175.235 176.117 -0.387 0.000 1.046 469 I CA 1.582 62.666 61.300 -0.361 0.000 1.308 469 I CB -1.896 35.910 38.000 -0.323 0.000 1.031 469 I HN 0.154 nan 8.210 nan 0.000 0.395 470 P HA -0.201 nan 4.420 nan 0.000 0.213 470 P C 1.933 178.969 177.300 -0.439 0.000 1.176 470 P CA 1.657 64.427 63.100 -0.550 0.000 0.919 470 P CB -0.134 30.906 31.700 -1.101 0.000 0.791 471 M N -1.014 118.203 119.600 -0.638 0.000 2.089 471 M HA -0.124 4.357 4.480 0.001 0.000 0.257 471 M C 2.292 178.400 176.300 -0.320 0.000 1.071 471 M CA 2.196 57.109 55.300 -0.645 0.000 1.096 471 M CB -2.654 29.151 32.600 -1.324 0.000 1.330 471 M HN 0.020 nan 8.290 nan 0.000 0.403 472 G N 0.536 109.154 108.800 -0.303 0.000 2.446 472 G HA2 -0.129 3.831 3.960 0.001 0.000 0.217 472 G HA3 -0.129 3.831 3.960 0.001 0.000 0.217 472 G C 1.462 176.325 174.900 -0.062 0.000 1.168 472 G CA 0.762 45.773 45.100 -0.149 0.000 0.771 472 G HN 0.316 nan 8.290 nan 0.000 0.551 473 L N 0.882 122.040 121.223 -0.107 0.000 1.956 473 L HA -0.091 4.249 4.340 0.001 0.000 0.216 473 L C 3.045 179.890 176.870 -0.042 0.000 1.073 473 L CA 1.192 56.003 54.840 -0.049 0.000 0.762 473 L CB -1.582 40.467 42.059 -0.016 0.000 0.889 473 L HN 0.212 nan 8.230 nan 0.000 0.433 474 L N -1.630 119.527 121.223 -0.110 0.000 1.991 474 L HA -0.312 4.029 4.340 0.001 0.000 0.221 474 L C 2.558 179.329 176.870 -0.165 0.000 1.079 474 L CA 1.709 56.381 54.840 -0.280 0.000 0.778 474 L CB -0.970 40.870 42.059 -0.365 0.000 0.893 474 L HN 0.159 nan 8.230 nan 0.000 0.437 475 F N 1.170 121.034 119.950 -0.143 0.000 2.171 475 F HA -0.243 4.284 4.527 0.001 0.000 0.300 475 F C 2.347 178.102 175.800 -0.076 0.000 1.090 475 F CA 1.876 59.835 58.000 -0.068 0.000 1.293 475 F CB -0.529 38.481 39.000 0.017 0.000 1.013 475 F HN 0.146 nan 8.300 nan 0.000 0.486 476 N N -0.146 118.689 118.700 0.225 0.000 2.094 476 N HA -0.261 4.479 4.740 0.001 0.000 0.191 476 N C 1.182 176.693 175.510 0.001 0.000 1.023 476 N CA 1.622 54.754 53.050 0.136 0.000 0.857 476 N CB -0.141 38.381 38.487 0.059 0.000 1.013 476 N HN 0.330 nan 8.380 nan 0.000 0.426 477 Q N -1.385 118.370 119.800 -0.075 0.000 2.247 477 Q HA 0.181 4.521 4.340 0.001 0.000 0.205 477 Q C 0.035 175.906 176.000 -0.214 0.000 0.896 477 Q CA 0.574 56.297 55.803 -0.133 0.000 0.950 477 Q CB 0.808 29.465 28.738 -0.134 0.000 1.054 477 Q HN 0.536 nan 8.270 nan 0.000 0.482 478 T N -7.954 106.420 114.554 -0.300 0.000 3.524 478 T HA 0.178 4.529 4.350 0.001 0.000 0.300 478 T C 1.293 175.640 174.700 -0.589 0.000 0.872 478 T CA -0.077 61.806 62.100 -0.362 0.000 0.888 478 T CB -0.073 68.603 68.868 -0.319 0.000 1.216 478 T HN 0.172 nan 8.240 nan 0.000 0.724 479 G N 1.824 109.987 108.800 -1.061 0.000 2.309 479 G HA2 -0.302 3.658 3.960 0.001 0.000 0.286 479 G HA3 -0.302 3.658 3.960 0.001 0.000 0.286 479 G C 0.330 174.349 174.900 -1.469 0.000 1.002 479 G CA 0.635 44.677 45.100 -1.762 0.000 0.786 479 G HN 0.910 nan 8.290 nan 0.000 0.511 480 S N -0.737 114.320 115.700 -1.072 0.000 3.900 480 S HA 0.246 4.716 4.470 0.001 0.000 0.248 480 S C 1.797 176.306 174.600 -0.151 0.000 1.310 480 S CA 0.109 58.090 58.200 -0.366 0.000 0.915 480 S CB -0.885 62.249 63.200 -0.109 0.000 1.588 480 S HN 0.457 nan 8.310 nan 0.000 0.472 481 c N 3.100 121.739 118.600 0.065 0.000 2.449 481 c HA 0.036 4.606 4.570 0.001 0.000 0.283 481 c C 1.010 174.675 174.090 -0.709 0.000 1.453 481 c CA 0.350 56.633 56.329 -0.075 0.000 1.779 481 c CB -1.223 41.350 42.510 0.106 0.000 1.779 481 c HN 0.686 nan 8.230 nan 0.000 0.546 482 K N 0.140 120.276 120.400 -0.440 0.000 2.901 482 K HA 0.367 4.688 4.320 0.001 0.000 0.199 482 K C 0.392 176.913 176.600 -0.131 0.000 1.140 482 K CA -0.427 55.702 56.287 -0.263 0.000 1.030 482 K CB -0.857 31.590 32.500 -0.090 0.000 1.437 482 K HN 0.180 nan 8.250 nan 0.000 0.552 483 F N 0.773 120.831 119.950 0.181 0.000 2.054 483 F HA -0.411 4.116 4.527 0.001 0.000 0.294 483 F C 1.275 177.195 175.800 0.200 0.000 1.126 483 F CA 1.729 59.845 58.000 0.193 0.000 1.226 483 F CB -1.264 37.860 39.000 0.206 0.000 0.947 483 F HN 0.277 nan 8.300 nan 0.000 0.509 484 D N 0.092 120.756 120.400 0.440 0.000 4.269 484 D HA -0.328 4.313 4.640 0.001 0.000 0.343 484 D C 1.632 178.071 176.300 0.231 0.000 1.351 484 D CA 2.658 56.840 54.000 0.304 0.000 1.052 484 D CB -0.635 40.295 40.800 0.218 0.000 0.912 484 D HN 0.322 nan 8.370 nan 0.000 0.642 485 K N -0.865 119.631 120.400 0.160 0.000 2.640 485 K HA -0.102 4.218 4.320 0.001 0.000 0.193 485 K C 1.208 177.863 176.600 0.092 0.000 1.036 485 K CA 0.124 56.469 56.287 0.097 0.000 0.962 485 K CB -0.123 32.410 32.500 0.055 0.000 0.791 485 K HN 0.247 nan 8.250 nan 0.000 0.491 486 F N -0.344 119.636 119.950 0.050 0.000 2.315 486 F HA 0.165 4.693 4.527 0.001 0.000 0.284 486 F C 0.212 175.961 175.800 -0.085 0.000 1.049 486 F CA -0.078 57.894 58.000 -0.048 0.000 1.323 486 F CB 0.270 39.242 39.000 -0.047 0.000 1.113 486 F HN -0.234 nan 8.300 nan 0.000 0.544 487 F N 2.269 122.172 119.950 -0.077 0.000 2.351 487 F HA 0.226 4.754 4.527 0.001 0.000 0.362 487 F C 1.751 177.535 175.800 -0.027 0.000 1.131 487 F CA -0.438 57.493 58.000 -0.115 0.000 1.187 487 F CB 0.176 39.261 39.000 0.142 0.000 1.434 487 F HN 0.154 nan 8.300 nan 0.000 0.553 488 S N 2.700 118.437 115.700 0.063 0.000 2.461 488 S HA -0.306 4.164 4.470 0.001 0.000 0.266 488 S C 0.115 174.794 174.600 0.131 0.000 1.138 488 S CA 1.893 60.135 58.200 0.069 0.000 1.146 488 S CB -0.750 62.468 63.200 0.029 0.000 1.042 488 S HN 0.674 nan 8.310 nan 0.000 0.448 489 Q N -1.504 118.406 119.800 0.184 0.000 2.599 489 Q HA 0.742 5.082 4.340 0.001 0.000 0.248 489 Q C -1.166 174.926 176.000 0.153 0.000 0.964 489 Q CA -0.285 55.614 55.803 0.159 0.000 1.011 489 Q CB 1.261 30.064 28.738 0.108 0.000 1.592 489 Q HN 0.142 nan 8.270 nan 0.000 0.443 490 S N 0.191 115.970 115.700 0.131 0.000 2.971 490 S HA 0.844 5.315 4.470 0.001 0.000 0.320 490 S C -1.278 173.405 174.600 0.139 0.000 1.111 490 S CA -0.656 57.599 58.200 0.092 0.000 0.870 490 S CB 1.769 65.016 63.200 0.078 0.000 1.331 490 S HN 0.938 nan 8.310 nan 0.000 0.635 491 c N 1.623 120.336 118.600 0.189 0.000 2.432 491 c HA 0.866 5.437 4.570 0.001 0.000 0.334 491 c C -0.834 173.453 174.090 0.329 0.000 1.155 491 c CA -0.078 56.384 56.329 0.222 0.000 1.335 491 c CB -0.472 42.188 42.510 0.249 0.000 1.964 491 c HN 0.962 nan 8.230 nan 0.000 0.444 492 A N 6.736 129.714 122.820 0.263 0.000 2.455 492 A HA 0.868 5.188 4.320 0.001 0.000 0.300 492 A C -3.169 174.488 177.584 0.121 0.000 1.040 492 A CA -1.199 50.978 52.037 0.234 0.000 0.697 492 A CB 1.605 20.658 19.000 0.088 0.000 1.265 492 A HN 0.608 nan 8.150 nan 0.000 0.407 493 P HA 0.406 nan 4.420 nan 0.000 0.274 493 P C 0.940 178.287 177.300 0.079 0.000 1.291 493 P CA 1.488 64.690 63.100 0.169 0.000 0.815 493 P CB 0.818 32.726 31.700 0.346 0.000 0.897 494 G N 2.566 111.386 108.800 0.033 0.000 2.380 494 G HA2 -0.078 3.883 3.960 0.001 0.000 0.197 494 G HA3 -0.078 3.883 3.960 0.001 0.000 0.197 494 G C 0.512 175.366 174.900 -0.078 0.000 1.001 494 G CA -0.005 45.078 45.100 -0.027 0.000 0.668 494 G HN 0.737 nan 8.290 nan 0.000 0.483 495 A N 0.304 123.069 122.820 -0.092 0.000 2.281 495 A HA 0.500 4.820 4.320 0.001 0.000 0.271 495 A C 0.457 178.036 177.584 -0.009 0.000 1.196 495 A CA 0.774 52.771 52.037 -0.067 0.000 0.807 495 A CB -0.159 18.822 19.000 -0.032 0.000 1.138 495 A HN 0.486 nan 8.150 nan 0.000 0.506 496 D N 0.268 120.680 120.400 0.021 0.000 2.487 496 D HA 0.106 4.747 4.640 0.001 0.000 0.243 496 D C -1.083 175.235 176.300 0.029 0.000 1.154 496 D CA -1.169 52.849 54.000 0.030 0.000 0.876 496 D CB 0.709 41.539 40.800 0.051 0.000 1.161 496 D HN 0.148 nan 8.370 nan 0.000 0.478 497 P HA -0.239 nan 4.420 nan 0.000 0.215 497 P C 0.683 178.000 177.300 0.028 0.000 1.163 497 P CA 1.538 64.650 63.100 0.020 0.000 0.894 497 P CB -0.138 31.568 31.700 0.010 0.000 0.791 498 Q N 0.768 120.585 119.800 0.029 0.000 2.307 498 Q HA 0.110 4.451 4.340 0.001 0.000 0.216 498 Q C 0.454 176.483 176.000 0.048 0.000 0.931 498 Q CA -0.245 55.578 55.803 0.033 0.000 0.953 498 Q CB -0.699 28.055 28.738 0.028 0.000 1.006 498 Q HN 0.186 nan 8.270 nan 0.000 0.472 499 S N 0.334 116.068 115.700 0.056 0.000 2.589 499 S HA 0.145 4.616 4.470 0.001 0.000 0.265 499 S C 0.486 175.135 174.600 0.082 0.000 1.342 499 S CA -0.206 58.041 58.200 0.079 0.000 1.005 499 S CB 1.235 64.486 63.200 0.086 0.000 0.909 499 S HN 0.357 nan 8.310 nan 0.000 0.555 500 S N 0.923 116.685 115.700 0.103 0.000 2.506 500 S HA 0.356 4.826 4.470 0.001 0.000 0.245 500 S C 0.469 175.145 174.600 0.128 0.000 1.088 500 S CA -0.334 57.927 58.200 0.102 0.000 1.099 500 S CB -1.092 62.168 63.200 0.101 0.000 0.805 500 S HN 0.992 nan 8.310 nan 0.000 0.461 501 L N -5.149 116.150 121.223 0.126 0.000 3.826 501 L HA 0.592 4.932 4.340 0.001 0.000 0.362 501 L C 0.734 177.677 176.870 0.122 0.000 1.235 501 L CA -0.331 54.593 54.840 0.140 0.000 1.207 501 L CB -0.548 41.609 42.059 0.164 0.000 1.518 501 L HN 0.212 nan 8.230 nan 0.000 0.628 502 c N 0.233 118.894 118.600 0.102 0.000 2.598 502 c HA 0.600 5.171 4.570 0.001 0.000 0.291 502 c C 2.729 176.873 174.090 0.090 0.000 1.437 502 c CA 1.255 57.642 56.329 0.096 0.000 1.864 502 c CB 0.517 43.069 42.510 0.071 0.000 2.068 502 c HN 0.768 nan 8.230 nan 0.000 0.618 503 A N 1.785 124.645 122.820 0.068 0.000 1.464 503 A HA -0.394 3.927 4.320 0.001 0.000 0.368 503 A C 1.703 179.314 177.584 0.044 0.000 4.991 503 A CA 2.925 54.993 52.037 0.051 0.000 1.018 503 A CB -1.824 17.209 19.000 0.055 0.000 0.583 503 A HN 0.668 nan 8.150 nan 0.000 0.501 504 L N -0.626 120.639 121.223 0.069 0.000 2.171 504 L HA -0.274 4.066 4.340 0.001 0.000 0.216 504 L C 1.587 178.472 176.870 0.024 0.000 1.084 504 L CA 1.105 55.992 54.840 0.079 0.000 0.771 504 L CB -2.171 39.981 42.059 0.154 0.000 0.890 504 L HN 0.664 nan 8.230 nan 0.000 0.437 505 c N 1.170 119.800 118.600 0.050 0.000 2.550 505 c HA 0.202 4.772 4.570 0.001 0.000 0.406 505 c C 0.762 174.769 174.090 -0.138 0.000 1.366 505 c CA -0.677 55.643 56.329 -0.015 0.000 1.712 505 c CB -0.491 42.052 42.510 0.055 0.000 2.613 505 c HN 0.143 nan 8.230 nan 0.000 0.608 506 V N 3.081 122.843 119.914 -0.252 0.000 2.735 506 V HA 0.740 4.860 4.120 0.001 0.000 0.310 506 V C 0.818 176.819 176.094 -0.155 0.000 1.061 506 V CA -0.042 62.119 62.300 -0.231 0.000 0.913 506 V CB 1.605 33.208 31.823 -0.367 0.000 1.005 506 V HN 1.161 nan 8.190 nan 0.000 0.428 507 G N 2.454 111.192 108.800 -0.104 0.000 2.516 507 G HA2 0.263 4.223 3.960 0.001 0.000 0.276 507 G HA3 0.263 4.223 3.960 0.001 0.000 0.276 507 G C 0.119 174.974 174.900 -0.075 0.000 1.390 507 G CA -0.512 44.545 45.100 -0.072 0.000 1.050 507 G HN 0.955 nan 8.290 nan 0.000 0.519 508 N N -0.056 118.613 118.700 -0.052 0.000 2.202 508 N HA -0.108 4.632 4.740 0.001 0.000 0.218 508 N C 1.120 176.601 175.510 -0.048 0.000 1.328 508 N CA 0.200 53.224 53.050 -0.043 0.000 0.884 508 N CB 0.173 38.641 38.487 -0.031 0.000 1.106 508 N HN 0.418 nan 8.380 nan 0.000 0.439 509 N N -0.316 118.362 118.700 -0.037 0.000 2.144 509 N HA -0.281 4.460 4.740 0.001 0.000 0.195 509 N C 0.659 176.150 175.510 -0.032 0.000 1.006 509 N CA 1.460 54.490 53.050 -0.032 0.000 0.880 509 N CB -0.309 38.169 38.487 -0.015 0.000 1.018 509 N HN 0.821 nan 8.380 nan 0.000 0.443 510 E N 1.065 121.248 120.200 -0.029 0.000 2.359 510 E HA 0.030 4.381 4.350 0.001 0.000 0.187 510 E C -0.228 176.352 176.600 -0.033 0.000 1.081 510 E CA -0.166 56.218 56.400 -0.026 0.000 0.929 510 E CB -0.408 29.279 29.700 -0.021 0.000 1.086 510 E HN 0.164 nan 8.360 nan 0.000 0.462 511 N N 1.057 119.730 118.700 -0.046 0.000 2.620 511 N HA -0.262 4.479 4.740 0.001 0.000 0.247 511 N C -0.359 175.122 175.510 -0.048 0.000 1.183 511 N CA 1.614 54.630 53.050 -0.056 0.000 0.768 511 N CB -0.837 37.617 38.487 -0.055 0.000 1.158 511 N HN 0.553 nan 8.380 nan 0.000 0.569 512 E N 0.540 120.716 120.200 -0.039 0.000 2.227 512 E HA 0.510 4.860 4.350 0.001 0.000 0.268 512 E C 0.234 176.814 176.600 -0.033 0.000 0.990 512 E CA -0.552 55.828 56.400 -0.033 0.000 0.856 512 E CB 0.858 30.543 29.700 -0.026 0.000 1.159 512 E HN 0.140 nan 8.360 nan 0.000 0.401 513 N N -0.156 118.527 118.700 -0.028 0.000 2.862 513 N HA -0.194 4.547 4.740 0.001 0.000 0.246 513 N C -1.049 174.447 175.510 -0.024 0.000 1.111 513 N CA 0.885 53.919 53.050 -0.026 0.000 0.688 513 N CB -0.611 37.859 38.487 -0.029 0.000 1.018 513 N HN 0.702 nan 8.380 nan 0.000 0.556 514 K N -0.156 120.231 120.400 -0.023 0.000 2.149 514 K HA 0.293 4.614 4.320 0.001 0.000 0.245 514 K C 0.868 177.473 176.600 0.007 0.000 1.024 514 K CA 0.423 56.700 56.287 -0.017 0.000 0.899 514 K CB 0.818 33.303 32.500 -0.027 0.000 1.038 514 K HN 0.679 nan 8.250 nan 0.000 0.496 515 c N 2.163 120.781 118.600 0.030 0.000 4.356 515 c HA -0.144 4.427 4.570 0.001 0.000 0.296 515 c C -0.116 174.002 174.090 0.048 0.000 1.424 515 c CA 0.840 57.200 56.329 0.051 0.000 2.000 515 c CB -2.007 40.526 42.510 0.038 0.000 1.262 515 c HN 0.747 nan 8.230 nan 0.000 0.789 516 M N 0.666 120.298 119.600 0.055 0.000 2.662 516 M HA 0.623 5.104 4.480 0.001 0.000 0.310 516 M C -2.699 173.649 176.300 0.079 0.000 1.204 516 M CA -1.756 53.567 55.300 0.039 0.000 0.891 516 M CB 2.134 34.731 32.600 -0.006 0.000 1.732 516 M HN -0.014 nan 8.290 nan 0.000 0.467 517 P HA 0.322 nan 4.420 nan 0.000 0.266 517 P C -1.381 175.721 177.300 -0.329 0.000 1.586 517 P CA 0.217 63.368 63.100 0.086 0.000 1.088 517 P CB -0.221 31.554 31.700 0.126 0.000 1.584 518 N N 1.108 119.254 118.700 -0.923 0.000 4.107 518 N HA -0.038 4.703 4.740 0.001 0.000 0.213 518 N C 0.561 175.507 175.510 -0.940 0.000 1.216 518 N CA -0.176 52.291 53.050 -0.971 0.000 0.925 518 N CB 0.803 39.065 38.487 -0.376 0.000 1.541 518 N HN 0.060 nan 8.380 nan 0.000 0.524 519 S N 0.894 116.267 115.700 -0.545 0.000 2.447 519 S HA -0.103 4.367 4.470 0.001 0.000 0.233 519 S C 0.699 175.302 174.600 0.005 0.000 1.006 519 S CA 0.890 59.077 58.200 -0.022 0.000 0.957 519 S CB -0.215 63.054 63.200 0.115 0.000 0.773 519 S HN 0.599 nan 8.310 nan 0.000 0.507 520 E N 1.919 122.079 120.200 -0.066 0.000 2.614 520 E HA 0.182 4.532 4.350 0.001 0.000 0.321 520 E C -0.356 176.226 176.600 -0.029 0.000 1.354 520 E CA -0.107 56.272 56.400 -0.035 0.000 1.469 520 E CB -0.295 29.377 29.700 -0.047 0.000 1.197 520 E HN 0.684 nan 8.360 nan 0.000 0.497 521 E N 0.474 120.681 120.200 0.012 0.000 2.531 521 E HA 0.070 4.421 4.350 0.001 0.000 0.323 521 E C -0.101 176.546 176.600 0.077 0.000 0.908 521 E CA -0.514 55.906 56.400 0.034 0.000 0.792 521 E CB 0.398 30.151 29.700 0.088 0.000 1.360 521 E HN 0.125 nan 8.360 nan 0.000 0.394 522 R N 2.346 122.847 120.500 0.001 0.000 2.316 522 R HA -0.126 4.214 4.340 0.001 0.000 0.232 522 R C 0.318 176.729 176.300 0.184 0.000 1.137 522 R CA 1.140 57.241 56.100 0.002 0.000 1.012 522 R CB -0.141 30.076 30.300 -0.139 0.000 0.859 522 R HN 0.493 nan 8.270 nan 0.000 0.474 523 Y N -1.482 118.810 120.300 -0.014 0.000 2.467 523 Y HA 0.136 4.687 4.550 0.001 0.000 0.250 523 Y C -0.035 175.919 175.900 0.091 0.000 1.155 523 Y CA -1.521 56.578 58.100 -0.002 0.000 1.249 523 Y CB -0.209 38.242 38.460 -0.016 0.000 1.146 523 Y HN -0.042 nan 8.280 nan 0.000 0.524 524 Y N 0.803 121.197 120.300 0.157 0.000 2.310 524 Y HA 0.558 5.109 4.550 0.001 0.000 0.326 524 Y C 0.626 176.618 175.900 0.154 0.000 1.151 524 Y CA 0.313 58.495 58.100 0.138 0.000 1.195 524 Y CB 0.758 39.291 38.460 0.122 0.000 1.210 524 Y HN 0.262 nan 8.280 nan 0.000 0.483 525 G N 3.472 112.067 108.800 -0.342 0.000 2.603 525 G HA2 -0.268 3.692 3.960 0.001 0.000 0.686 525 G HA3 -0.268 3.692 3.960 0.001 0.000 0.686 525 G C -0.546 174.429 174.900 0.125 0.000 1.286 525 G CA -0.286 44.804 45.100 -0.016 0.000 0.871 525 G HN 0.627 nan 8.290 nan 0.000 0.568 526 Y N 1.072 121.356 120.300 -0.028 0.000 2.274 526 Y HA -0.135 4.415 4.550 0.001 0.000 0.290 526 Y C 3.270 179.179 175.900 0.014 0.000 1.145 526 Y CA 2.535 60.613 58.100 -0.038 0.000 1.203 526 Y CB -1.055 37.377 38.460 -0.048 0.000 0.984 526 Y HN 0.841 nan 8.280 nan 0.000 0.533 527 T N -2.432 112.268 114.554 0.244 0.000 2.520 527 T HA -0.174 4.177 4.350 0.001 0.000 0.258 527 T C 2.465 177.290 174.700 0.208 0.000 1.125 527 T CA 1.281 63.534 62.100 0.255 0.000 1.206 527 T CB -1.258 67.757 68.868 0.245 0.000 0.864 527 T HN 0.339 nan 8.240 nan 0.000 0.400 528 G N 1.707 110.590 108.800 0.138 0.000 2.503 528 G HA2 -0.085 3.875 3.960 0.001 0.000 0.221 528 G HA3 -0.085 3.875 3.960 0.001 0.000 0.221 528 G C 1.821 176.617 174.900 -0.173 0.000 1.131 528 G CA 1.070 46.195 45.100 0.043 0.000 0.756 528 G HN 0.844 nan 8.290 nan 0.000 0.572 529 A N -0.490 122.237 122.820 -0.155 0.000 2.216 529 A HA 0.212 4.532 4.320 0.001 0.000 0.214 529 A C 1.940 179.389 177.584 -0.225 0.000 1.160 529 A CA 1.110 52.956 52.037 -0.317 0.000 0.725 529 A CB -0.367 18.495 19.000 -0.231 0.000 0.784 529 A HN 0.374 nan 8.150 nan 0.000 0.472 530 F N 0.263 120.058 119.950 -0.258 0.000 2.317 530 F HA 0.138 4.666 4.527 0.001 0.000 0.293 530 F C 2.036 177.776 175.800 -0.101 0.000 1.085 530 F CA 0.570 58.475 58.000 -0.158 0.000 1.390 530 F CB -0.540 38.452 39.000 -0.014 0.000 1.077 530 F HN 0.254 nan 8.300 nan 0.000 0.517 531 R N -0.353 120.017 120.500 -0.218 0.000 2.105 531 R HA -0.241 4.100 4.340 0.001 0.000 0.239 531 R C 2.610 178.662 176.300 -0.413 0.000 1.135 531 R CA 1.730 57.385 56.100 -0.742 0.000 0.967 531 R CB -1.112 28.653 30.300 -0.892 0.000 0.861 531 R HN 0.482 nan 8.270 nan 0.000 0.442 532 c N 0.336 118.449 118.600 -0.811 0.000 2.413 532 c HA -0.107 4.463 4.570 0.001 0.000 0.276 532 c C 2.451 176.433 174.090 -0.179 0.000 1.248 532 c CA 0.730 56.570 56.329 -0.815 0.000 1.742 532 c CB -0.951 40.869 42.510 -1.149 0.000 2.017 532 c HN 0.542 nan 8.230 nan 0.000 0.481 533 L N 1.224 122.399 121.223 -0.079 0.000 2.131 533 L HA 0.169 4.510 4.340 0.001 0.000 0.206 533 L C 2.805 179.805 176.870 0.215 0.000 1.087 533 L CA 2.002 56.898 54.840 0.093 0.000 0.767 533 L CB -0.944 41.221 42.059 0.176 0.000 0.917 533 L HN 0.390 nan 8.230 nan 0.000 0.441 534 A N -1.119 121.829 122.820 0.214 0.000 1.969 534 A HA -0.201 4.119 4.320 0.001 0.000 0.218 534 A C 2.071 179.802 177.584 0.246 0.000 1.169 534 A CA 1.337 53.559 52.037 0.308 0.000 0.635 534 A CB -0.452 18.779 19.000 0.386 0.000 0.810 534 A HN 0.363 nan 8.150 nan 0.000 0.445 535 E N -0.409 119.903 120.200 0.186 0.000 2.461 535 E HA 0.067 4.418 4.350 0.001 0.000 0.196 535 E C 0.291 176.968 176.600 0.127 0.000 1.129 535 E CA 0.110 56.606 56.400 0.160 0.000 0.902 535 E CB -0.641 29.169 29.700 0.183 0.000 0.963 535 E HN 0.479 nan 8.360 nan 0.000 0.503 536 K N -2.256 118.218 120.400 0.123 0.000 2.927 536 K HA -0.354 3.967 4.320 0.001 0.000 0.265 536 K C 0.784 177.429 176.600 0.077 0.000 1.037 536 K CA 0.600 56.941 56.287 0.090 0.000 0.783 536 K CB -1.267 31.272 32.500 0.066 0.000 1.211 536 K HN 0.310 nan 8.250 nan 0.000 0.470 537 A N 0.443 123.318 122.820 0.092 0.000 1.972 537 A HA 0.312 4.633 4.320 0.001 0.000 0.219 537 A C 1.280 178.906 177.584 0.070 0.000 1.467 537 A CA 0.699 52.788 52.037 0.087 0.000 0.631 537 A CB -0.419 18.654 19.000 0.122 0.000 1.143 537 A HN 0.352 nan 8.150 nan 0.000 0.502 538 G N 0.489 109.325 108.800 0.059 0.000 2.343 538 G HA2 0.354 4.314 3.960 0.001 0.000 0.254 538 G HA3 0.354 4.314 3.960 0.001 0.000 0.254 538 G C -0.408 174.491 174.900 -0.002 0.000 1.277 538 G CA -0.089 45.012 45.100 0.002 0.000 0.909 538 G HN 0.398 nan 8.290 nan 0.000 0.502 539 D N 0.588 121.002 120.400 0.024 0.000 2.319 539 D HA 0.082 4.723 4.640 0.001 0.000 0.230 539 D C 0.137 176.459 176.300 0.036 0.000 1.094 539 D CA 0.513 54.539 54.000 0.044 0.000 0.856 539 D CB 0.904 41.740 40.800 0.060 0.000 0.915 539 D HN 0.147 nan 8.370 nan 0.000 0.517 540 V N 0.080 119.968 119.914 -0.043 0.000 2.915 540 V HA 0.527 4.647 4.120 0.001 0.000 0.282 540 V C -1.877 173.941 176.094 -0.460 0.000 1.445 540 V CA -0.669 61.559 62.300 -0.119 0.000 0.953 540 V CB 1.807 33.664 31.823 0.058 0.000 1.140 540 V HN 0.059 nan 8.190 nan 0.000 0.440 541 A N 5.991 128.478 122.820 -0.555 0.000 2.449 541 A HA 1.023 5.344 4.320 0.001 0.000 0.302 541 A C -1.534 175.560 177.584 -0.817 0.000 1.048 541 A CA -0.484 51.037 52.037 -0.861 0.000 0.708 541 A CB 1.591 20.305 19.000 -0.477 0.000 1.274 541 A HN 1.234 nan 8.150 nan 0.000 0.410 542 F N 0.582 120.420 119.950 -0.186 0.000 2.532 542 F HA 0.926 5.454 4.527 0.001 0.000 0.321 542 F C -0.017 175.614 175.800 -0.281 0.000 1.089 542 F CA -1.323 56.568 58.000 -0.182 0.000 0.926 542 F CB 1.432 40.357 39.000 -0.124 0.000 1.168 542 F HN 0.589 nan 8.300 nan 0.000 0.459 543 V N 0.587 120.436 119.914 -0.108 0.000 3.280 543 V HA 0.285 4.405 4.120 0.001 0.000 0.281 543 V C -1.695 174.266 176.094 -0.221 0.000 1.850 543 V CA -1.616 60.488 62.300 -0.326 0.000 0.990 543 V CB 2.569 34.138 31.823 -0.424 0.000 1.195 543 V HN 0.899 nan 8.190 nan 0.000 0.483 544 K N 0.158 120.455 120.400 -0.172 0.000 2.205 544 K HA 0.433 4.754 4.320 0.001 0.000 0.279 544 K C 0.761 177.315 176.600 -0.076 0.000 1.027 544 K CA 0.406 56.644 56.287 -0.082 0.000 0.932 544 K CB 1.082 33.538 32.500 -0.074 0.000 1.032 544 K HN 0.761 nan 8.250 nan 0.000 0.466 545 D N 2.189 122.551 120.400 -0.063 0.000 2.200 545 D HA -0.314 4.326 4.640 0.001 0.000 0.192 545 D C 1.280 177.532 176.300 -0.079 0.000 1.008 545 D CA 1.628 55.582 54.000 -0.077 0.000 0.872 545 D CB -0.342 40.439 40.800 -0.033 0.000 0.923 545 D HN 0.297 nan 8.370 nan 0.000 0.447 546 V N 0.626 120.523 119.914 -0.029 0.000 2.282 546 V HA -0.322 3.799 4.120 0.001 0.000 0.249 546 V C 2.668 178.743 176.094 -0.031 0.000 1.057 546 V CA 2.378 64.672 62.300 -0.010 0.000 1.032 546 V CB -1.224 30.616 31.823 0.028 0.000 0.645 546 V HN 0.436 nan 8.190 nan 0.000 0.447 547 T N -0.005 114.526 114.554 -0.039 0.000 2.737 547 T HA -0.196 4.155 4.350 0.001 0.000 0.269 547 T C 1.876 176.462 174.700 -0.189 0.000 1.040 547 T CA 1.610 63.680 62.100 -0.051 0.000 1.142 547 T CB -0.425 68.431 68.868 -0.021 0.000 0.861 547 T HN 0.292 nan 8.240 nan 0.000 0.456 548 V N 2.175 121.868 119.914 -0.370 0.000 2.214 548 V HA -0.202 3.918 4.120 0.001 0.000 0.247 548 V C 2.558 178.587 176.094 -0.107 0.000 1.051 548 V CA 1.908 63.904 62.300 -0.507 0.000 1.003 548 V CB -0.936 30.670 31.823 -0.360 0.000 0.635 548 V HN 0.472 nan 8.190 nan 0.000 0.447 549 L N -0.578 120.609 121.223 -0.060 0.000 2.129 549 L HA -0.288 4.052 4.340 0.001 0.000 0.212 549 L C 2.614 179.506 176.870 0.037 0.000 1.087 549 L CA 1.671 56.515 54.840 0.007 0.000 0.757 549 L CB -0.929 41.129 42.059 -0.001 0.000 0.896 549 L HN 0.435 nan 8.230 nan 0.000 0.434 550 Q N 0.428 120.252 119.800 0.039 0.000 2.152 550 Q HA -0.165 4.175 4.340 0.001 0.000 0.206 550 Q C 0.781 176.839 176.000 0.097 0.000 0.985 550 Q CA 1.383 57.226 55.803 0.066 0.000 0.863 550 Q CB 0.034 28.819 28.738 0.078 0.000 0.904 550 Q HN 0.631 nan 8.270 nan 0.000 0.422 551 N N -0.157 118.638 118.700 0.158 0.000 2.299 551 N HA 0.051 4.791 4.740 0.001 0.000 0.246 551 N C -0.034 175.518 175.510 0.070 0.000 1.254 551 N CA 0.234 53.367 53.050 0.137 0.000 0.879 551 N CB 0.977 39.611 38.487 0.245 0.000 1.214 551 N HN 0.187 nan 8.380 nan 0.000 0.510 552 T N -1.828 112.782 114.554 0.094 0.000 2.973 552 T HA 0.163 4.514 4.350 0.001 0.000 0.308 552 T C 0.033 174.741 174.700 0.013 0.000 1.177 552 T CA -0.503 61.641 62.100 0.073 0.000 0.938 552 T CB -0.104 68.834 68.868 0.116 0.000 1.791 552 T HN -0.118 nan 8.240 nan 0.000 0.581 553 D N 1.205 121.620 120.400 0.026 0.000 7.487 553 D HA 0.217 4.858 4.640 0.001 0.000 0.225 553 D C 1.455 177.749 176.300 -0.011 0.000 1.430 553 D CA 1.614 55.617 54.000 0.005 0.000 1.103 553 D CB -1.435 39.376 40.800 0.018 0.000 1.630 553 D HN 1.073 nan 8.370 nan 0.000 0.933 554 G N 1.021 109.800 108.800 -0.035 0.000 2.302 554 G HA2 -0.519 3.442 3.960 0.001 0.000 0.263 554 G HA3 -0.519 3.442 3.960 0.001 0.000 0.263 554 G C 1.412 176.296 174.900 -0.026 0.000 0.995 554 G CA 0.755 45.833 45.100 -0.037 0.000 0.622 554 G HN 0.471 nan 8.290 nan 0.000 0.538 555 K N 0.723 121.117 120.400 -0.011 0.000 2.189 555 K HA -0.119 4.202 4.320 0.001 0.000 0.207 555 K C 1.138 177.740 176.600 0.002 0.000 1.046 555 K CA 1.703 57.992 56.287 0.004 0.000 0.928 555 K CB -0.158 32.354 32.500 0.021 0.000 0.720 555 K HN 0.957 nan 8.250 nan 0.000 0.458 556 N N -2.561 116.127 118.700 -0.019 0.000 2.380 556 N HA 0.230 4.970 4.740 0.001 0.000 0.290 556 N C 0.007 175.477 175.510 -0.067 0.000 1.236 556 N CA -0.235 52.800 53.050 -0.025 0.000 0.780 556 N CB 2.097 40.575 38.487 -0.014 0.000 1.438 556 N HN -0.122 nan 8.380 nan 0.000 0.491 557 S N -0.938 114.732 115.700 -0.050 0.000 2.666 557 S HA 0.150 4.620 4.470 0.001 0.000 0.239 557 S C 0.175 174.734 174.600 -0.068 0.000 1.031 557 S CA -0.431 57.733 58.200 -0.061 0.000 1.015 557 S CB -0.178 63.009 63.200 -0.023 0.000 0.981 557 S HN 0.622 nan 8.310 nan 0.000 0.547 558 E N 3.802 123.970 120.200 -0.054 0.000 2.529 558 E HA 0.067 4.418 4.350 0.001 0.000 0.259 558 E C -1.328 175.215 176.600 -0.096 0.000 0.966 558 E CA -1.377 55.041 56.400 0.031 0.000 0.937 558 E CB 0.939 30.823 29.700 0.308 0.000 0.923 558 E HN 0.169 nan 8.360 nan 0.000 0.468 559 P HA -0.227 nan 4.420 nan 0.000 0.217 559 P C 1.685 178.981 177.300 -0.006 0.000 1.158 559 P CA 1.840 64.945 63.100 0.010 0.000 0.887 559 P CB -0.628 31.113 31.700 0.069 0.000 0.792 560 W N 0.677 121.976 121.300 -0.001 0.000 2.292 560 W HA -0.135 4.526 4.660 0.001 0.000 0.304 560 W C 1.087 177.594 176.519 -0.020 0.000 1.228 560 W CA 1.770 59.112 57.345 -0.006 0.000 1.241 560 W CB -1.650 27.811 29.460 0.000 0.000 1.142 560 W HN 0.076 nan 8.180 nan 0.000 0.520 561 A N 0.474 122.785 122.820 -0.849 0.000 2.733 561 A HA 0.094 4.415 4.320 0.001 0.000 0.232 561 A C 1.801 179.024 177.584 -0.602 0.000 1.251 561 A CA 0.272 51.822 52.037 -0.813 0.000 1.015 561 A CB -0.404 17.749 19.000 -1.412 0.000 1.291 561 A HN 0.233 nan 8.150 nan 0.000 0.595 562 K N 1.468 121.556 120.400 -0.520 0.000 2.259 562 K HA -0.299 4.021 4.320 0.001 0.000 0.206 562 K C 1.013 177.504 176.600 -0.183 0.000 1.044 562 K CA 2.033 58.144 56.287 -0.292 0.000 0.931 562 K CB -0.674 31.712 32.500 -0.190 0.000 0.726 562 K HN 0.628 nan 8.250 nan 0.000 0.467 563 D N 2.427 122.726 120.400 -0.168 0.000 2.123 563 D HA -0.107 4.533 4.640 0.001 0.000 0.200 563 D C 0.865 177.125 176.300 -0.067 0.000 0.976 563 D CA 0.330 54.272 54.000 -0.096 0.000 0.831 563 D CB -0.693 40.062 40.800 -0.076 0.000 0.974 563 D HN 0.272 nan 8.370 nan 0.000 0.469 564 L N 1.591 122.770 121.223 -0.074 0.000 2.628 564 L HA 0.093 4.433 4.340 0.001 0.000 0.274 564 L C 0.475 177.382 176.870 0.063 0.000 1.209 564 L CA -0.918 53.929 54.840 0.012 0.000 0.930 564 L CB -0.768 41.355 42.059 0.106 0.000 1.183 564 L HN -0.034 nan 8.230 nan 0.000 0.492 565 K N 2.789 123.221 120.400 0.053 0.000 2.295 565 K HA 0.105 4.425 4.320 0.001 0.000 0.270 565 K C 0.696 177.394 176.600 0.163 0.000 1.011 565 K CA -0.171 56.157 56.287 0.069 0.000 0.953 565 K CB 0.603 33.120 32.500 0.028 0.000 0.956 565 K HN 0.830 nan 8.250 nan 0.000 0.477 566 Q N 1.459 121.353 119.800 0.156 0.000 2.508 566 Q HA -0.155 4.186 4.340 0.001 0.000 0.214 566 Q C 0.276 176.407 176.000 0.218 0.000 0.979 566 Q CA 1.189 57.121 55.803 0.215 0.000 0.911 566 Q CB 0.057 28.869 28.738 0.124 0.000 0.969 566 Q HN 0.688 nan 8.270 nan 0.000 0.504 567 E N 0.457 120.737 120.200 0.134 0.000 2.489 567 E HA -0.046 4.304 4.350 0.001 0.000 0.193 567 E C 0.239 176.855 176.600 0.027 0.000 1.057 567 E CA 0.359 56.807 56.400 0.079 0.000 0.866 567 E CB 0.106 29.828 29.700 0.037 0.000 0.916 567 E HN 0.394 nan 8.360 nan 0.000 0.500 568 D N -0.336 120.062 120.400 -0.004 0.000 2.363 568 D HA 0.065 4.705 4.640 0.001 0.000 0.220 568 D C -0.707 175.170 176.300 -0.706 0.000 0.994 568 D CA 0.363 54.130 54.000 -0.389 0.000 0.890 568 D CB 0.143 40.590 40.800 -0.588 0.000 0.906 568 D HN -0.013 nan 8.370 nan 0.000 0.530 569 F N -0.174 119.815 119.950 0.064 0.000 2.599 569 F HA 0.478 5.005 4.527 0.001 0.000 0.311 569 F C 0.375 176.199 175.800 0.040 0.000 1.076 569 F CA -1.130 56.909 58.000 0.065 0.000 0.937 569 F CB 1.557 40.621 39.000 0.108 0.000 1.282 569 F HN -0.389 nan 8.300 nan 0.000 0.460 570 E N 1.615 121.947 120.200 0.219 0.000 2.281 570 E HA 0.558 4.909 4.350 0.001 0.000 0.262 570 E C -1.512 175.156 176.600 0.114 0.000 0.933 570 E CA -1.161 55.316 56.400 0.128 0.000 0.809 570 E CB 2.975 32.729 29.700 0.089 0.000 1.242 570 E HN 0.507 nan 8.360 nan 0.000 0.418 571 L N 2.967 124.233 121.223 0.073 0.000 2.319 571 L HA 0.319 4.659 4.340 0.001 0.000 0.281 571 L C -1.193 175.706 176.870 0.048 0.000 1.005 571 L CA -0.760 54.107 54.840 0.046 0.000 0.828 571 L CB 0.900 42.974 42.059 0.025 0.000 1.227 571 L HN 0.458 nan 8.230 nan 0.000 0.415 572 L N 5.440 126.697 121.223 0.058 0.000 2.565 572 L HA 0.121 4.462 4.340 0.001 0.000 0.275 572 L C 0.076 176.938 176.870 -0.013 0.000 1.137 572 L CA 0.376 55.261 54.840 0.075 0.000 0.915 572 L CB 0.227 42.383 42.059 0.161 0.000 1.232 572 L HN 0.809 nan 8.230 nan 0.000 0.473 573 c N 4.329 122.923 118.600 -0.009 0.000 2.595 573 c HA 0.060 4.630 4.570 0.001 0.000 0.384 573 c C 2.049 176.011 174.090 -0.213 0.000 1.289 573 c CA -0.876 55.406 56.329 -0.078 0.000 2.372 573 c CB 1.155 43.655 42.510 -0.016 0.000 2.593 573 c HN 0.744 nan 8.230 nan 0.000 0.639 574 L N 2.292 123.313 121.223 -0.337 0.000 1.976 574 L HA -0.046 4.294 4.340 0.001 0.000 0.209 574 L C 1.610 178.370 176.870 -0.183 0.000 1.071 574 L CA 2.177 56.682 54.840 -0.558 0.000 0.746 574 L CB -1.057 40.773 42.059 -0.382 0.000 0.890 574 L HN 0.870 nan 8.230 nan 0.000 0.432 575 D N -0.184 120.189 120.400 -0.045 0.000 2.669 575 D HA 0.130 4.770 4.640 0.001 0.000 0.229 575 D C 1.303 177.666 176.300 0.106 0.000 1.092 575 D CA 0.770 54.803 54.000 0.055 0.000 1.175 575 D CB -0.530 40.289 40.800 0.032 0.000 1.133 575 D HN 0.516 nan 8.370 nan 0.000 0.471 576 G N 2.202 111.129 108.800 0.212 0.000 4.861 576 G HA2 -0.411 3.550 3.960 0.001 0.000 0.226 576 G HA3 -0.411 3.550 3.960 0.001 0.000 0.226 576 G C 0.785 175.794 174.900 0.181 0.000 1.350 576 G CA 0.817 46.051 45.100 0.223 0.000 1.018 576 G HN 0.719 nan 8.290 nan 0.000 0.712 577 T N 1.956 116.574 114.554 0.107 0.000 2.690 577 T HA 0.214 4.564 4.350 0.001 0.000 0.352 577 T C 0.692 175.439 174.700 0.079 0.000 1.025 577 T CA 1.388 63.533 62.100 0.076 0.000 1.142 577 T CB -0.015 68.881 68.868 0.046 0.000 1.081 577 T HN 0.923 nan 8.240 nan 0.000 0.503 578 R N 0.985 121.524 120.500 0.065 0.000 2.734 578 R HA 0.309 4.649 4.340 0.001 0.000 0.268 578 R C -0.398 175.933 176.300 0.051 0.000 1.785 578 R CA -0.730 55.409 56.100 0.065 0.000 1.461 578 R CB 0.984 31.330 30.300 0.077 0.000 1.308 578 R HN 0.466 nan 8.270 nan 0.000 0.586 579 K N 2.208 122.632 120.400 0.040 0.000 2.143 579 K HA 0.236 4.556 4.320 0.001 0.000 0.239 579 K C -1.977 174.646 176.600 0.038 0.000 1.048 579 K CA -1.325 54.981 56.287 0.033 0.000 0.867 579 K CB 0.361 32.874 32.500 0.023 0.000 1.088 579 K HN 0.189 nan 8.250 nan 0.000 0.510 580 P HA -0.027 nan 4.420 nan 0.000 0.279 580 P C 0.980 178.299 177.300 0.032 0.000 1.252 580 P CA -0.301 62.822 63.100 0.039 0.000 0.811 580 P CB 0.861 32.581 31.700 0.032 0.000 1.035 581 V N 1.101 121.041 119.914 0.043 0.000 2.223 581 V HA -0.378 3.743 4.120 0.001 0.000 0.253 581 V C 2.405 178.501 176.094 0.003 0.000 1.061 581 V CA 2.999 65.311 62.300 0.020 0.000 1.035 581 V CB -2.697 29.147 31.823 0.036 0.000 0.653 581 V HN 0.620 nan 8.190 nan 0.000 0.454 582 A N 0.856 123.682 122.820 0.010 0.000 1.859 582 A HA -0.272 4.048 4.320 0.001 0.000 0.218 582 A C 1.856 179.437 177.584 -0.005 0.000 1.209 582 A CA 2.154 54.193 52.037 0.003 0.000 0.639 582 A CB -1.043 17.962 19.000 0.008 0.000 0.835 582 A HN 0.809 nan 8.150 nan 0.000 0.450 583 E N 0.342 120.541 120.200 -0.001 0.000 2.888 583 E HA 0.275 4.626 4.350 0.001 0.000 0.271 583 E C 0.636 177.226 176.600 -0.016 0.000 1.527 583 E CA 0.116 56.511 56.400 -0.009 0.000 1.700 583 E CB -0.391 29.307 29.700 -0.003 0.000 1.410 583 E HN 0.549 nan 8.360 nan 0.000 0.445 584 A N 1.181 123.986 122.820 -0.025 0.000 2.337 584 A HA -0.010 4.310 4.320 0.001 0.000 0.227 584 A C 1.115 178.630 177.584 -0.115 0.000 1.259 584 A CA -0.123 51.898 52.037 -0.027 0.000 0.870 584 A CB 0.209 19.209 19.000 -0.000 0.000 0.927 584 A HN 0.089 nan 8.150 nan 0.000 0.497 585 E N 0.471 120.594 120.200 -0.128 0.000 2.422 585 E HA 0.238 4.588 4.350 0.001 0.000 0.267 585 E C -0.110 176.374 176.600 -0.192 0.000 1.466 585 E CA 0.193 56.462 56.400 -0.218 0.000 1.767 585 E CB -0.079 29.542 29.700 -0.132 0.000 1.471 585 E HN 0.524 nan 8.360 nan 0.000 0.446 586 S N -1.858 113.746 115.700 -0.160 0.000 4.026 586 S HA -0.088 4.382 4.470 0.001 0.000 0.198 586 S C 1.356 176.011 174.600 0.090 0.000 1.069 586 S CA -0.091 58.088 58.200 -0.034 0.000 1.200 586 S CB -0.401 62.789 63.200 -0.015 0.000 1.385 586 S HN 0.432 nan 8.310 nan 0.000 0.449 587 c N 3.988 122.626 118.600 0.063 0.000 2.432 587 c HA 0.091 4.661 4.570 0.001 0.000 0.280 587 c C 1.513 175.678 174.090 0.125 0.000 1.353 587 c CA 1.074 57.450 56.329 0.077 0.000 1.766 587 c CB -1.699 40.830 42.510 0.032 0.000 1.924 587 c HN 0.750 nan 8.230 nan 0.000 0.509 588 H N -0.520 118.507 119.070 -0.070 0.000 2.994 588 H HA 0.047 4.604 4.556 0.001 0.000 0.374 588 H C 1.212 176.463 175.328 -0.128 0.000 1.305 588 H CA 0.232 56.230 56.048 -0.083 0.000 1.431 588 H CB 0.328 30.059 29.762 -0.052 0.000 1.399 588 H HN 0.287 nan 8.280 nan 0.000 0.609 589 L N 0.880 121.931 121.223 -0.286 0.000 1.988 589 L HA 0.129 4.470 4.340 0.001 0.000 0.207 589 L C 1.159 177.646 176.870 -0.637 0.000 1.071 589 L CA 1.259 55.855 54.840 -0.406 0.000 0.744 589 L CB -0.507 41.397 42.059 -0.259 0.000 0.893 589 L HN 0.927 nan 8.230 nan 0.000 0.433 590 A N -1.211 121.271 122.820 -0.563 0.000 2.441 590 A HA 0.444 4.764 4.320 0.001 0.000 0.295 590 A C -1.261 176.370 177.584 0.079 0.000 0.992 590 A CA -0.697 51.078 52.037 -0.437 0.000 0.603 590 A CB 0.672 19.502 19.000 -0.283 0.000 1.385 590 A HN 0.066 nan 8.150 nan 0.000 0.470 591 R N 0.108 120.718 120.500 0.183 0.000 2.368 591 R HA 0.740 5.080 4.340 0.001 0.000 0.302 591 R C -0.204 176.199 176.300 0.173 0.000 1.002 591 R CA 0.408 56.644 56.100 0.226 0.000 0.929 591 R CB 1.342 31.758 30.300 0.193 0.000 1.073 591 R HN 1.595 nan 8.270 nan 0.000 0.464 592 A N 4.866 127.849 122.820 0.273 0.000 2.532 592 A HA 0.673 4.994 4.320 0.001 0.000 0.290 592 A C -2.682 174.902 177.584 -0.000 0.000 1.143 592 A CA -1.812 50.367 52.037 0.237 0.000 0.728 592 A CB 1.842 21.091 19.000 0.416 0.000 1.317 592 A HN 0.646 nan 8.150 nan 0.000 0.414 593 P HA 0.157 nan 4.420 nan 0.000 0.275 593 P C -0.550 176.382 177.300 -0.614 0.000 1.227 593 P CA 0.031 62.944 63.100 -0.312 0.000 0.781 593 P CB 0.653 32.127 31.700 -0.377 0.000 0.906 594 N N 1.243 119.626 118.700 -0.528 0.000 2.245 594 N HA 0.075 4.815 4.740 0.001 0.000 0.269 594 N C 0.936 176.483 175.510 0.062 0.000 1.278 594 N CA 0.086 52.915 53.050 -0.368 0.000 0.920 594 N CB -0.289 38.139 38.487 -0.100 0.000 1.012 594 N HN 0.555 nan 8.380 nan 0.000 0.467 595 H N -1.383 117.677 119.070 -0.017 0.000 2.889 595 H HA 0.787 5.344 4.556 0.001 0.000 0.279 595 H C -0.799 174.612 175.328 0.138 0.000 1.553 595 H CA -1.084 55.007 56.048 0.071 0.000 1.593 595 H CB 1.271 31.102 29.762 0.114 0.000 1.718 595 H HN 0.562 nan 8.280 nan 0.000 0.901 596 A N 0.296 123.288 122.820 0.287 0.000 2.601 596 A HA 0.259 4.580 4.320 0.001 0.000 0.303 596 A C -1.394 176.286 177.584 0.160 0.000 1.004 596 A CA -0.772 51.411 52.037 0.245 0.000 0.742 596 A CB 0.131 19.349 19.000 0.363 0.000 1.250 596 A HN 0.305 nan 8.150 nan 0.000 0.406 597 V N 1.568 121.559 119.914 0.129 0.000 2.479 597 V HA 0.434 4.554 4.120 0.001 0.000 0.281 597 V C 0.422 176.515 176.094 -0.002 0.000 1.031 597 V CA -0.240 62.079 62.300 0.032 0.000 1.038 597 V CB 0.623 32.483 31.823 0.062 0.000 0.981 597 V HN 0.735 nan 8.190 nan 0.000 0.478 598 V N 3.911 123.789 119.914 -0.061 0.000 2.815 598 V HA 0.842 4.963 4.120 0.001 0.000 0.314 598 V C 0.055 176.102 176.094 -0.078 0.000 1.064 598 V CA -0.233 62.045 62.300 -0.037 0.000 0.952 598 V CB 2.005 33.810 31.823 -0.030 0.000 1.020 598 V HN 0.962 nan 8.190 nan 0.000 0.439 599 S N 0.972 116.647 115.700 -0.041 0.000 2.615 599 S HA 0.400 4.870 4.470 0.001 0.000 0.269 599 S C -1.153 173.435 174.600 -0.019 0.000 1.161 599 S CA -0.646 57.526 58.200 -0.046 0.000 0.817 599 S CB 1.890 65.068 63.200 -0.036 0.000 1.131 599 S HN 0.808 nan 8.310 nan 0.000 0.467 600 Q N 2.040 121.829 119.800 -0.018 0.000 2.283 600 Q HA 0.206 4.546 4.340 0.001 0.000 0.269 600 Q C 1.393 177.402 176.000 0.016 0.000 1.187 600 Q CA 0.823 56.624 55.803 -0.003 0.000 0.922 600 Q CB 0.139 28.876 28.738 -0.002 0.000 1.323 600 Q HN 0.780 nan 8.270 nan 0.000 0.432 601 S N 2.547 118.260 115.700 0.022 0.000 2.426 601 S HA -0.314 4.156 4.470 0.001 0.000 0.253 601 S C 0.777 175.402 174.600 0.043 0.000 1.104 601 S CA 1.836 60.057 58.200 0.035 0.000 1.158 601 S CB -0.746 62.476 63.200 0.036 0.000 1.043 601 S HN 0.854 nan 8.310 nan 0.000 0.443 602 D N 0.744 121.165 120.400 0.036 0.000 2.671 602 D HA 0.335 4.975 4.640 0.001 0.000 0.228 602 D C 0.759 177.086 176.300 0.045 0.000 1.102 602 D CA -0.166 53.857 54.000 0.038 0.000 1.044 602 D CB 0.683 41.498 40.800 0.026 0.000 1.113 602 D HN 0.342 nan 8.370 nan 0.000 0.480 603 R N 0.243 120.787 120.500 0.072 0.000 1.660 603 R HA 0.041 4.382 4.340 0.001 0.000 0.029 603 R C 1.600 177.994 176.300 0.156 0.000 0.821 603 R CA 1.360 57.530 56.100 0.116 0.000 3.494 603 R CB -1.133 29.215 30.300 0.082 0.000 0.778 603 R HN 0.134 nan 8.270 nan 0.000 0.576 604 A N 1.244 124.118 122.820 0.090 0.000 1.870 604 A HA -0.315 4.006 4.320 0.001 0.000 0.219 604 A C 1.820 179.453 177.584 0.082 0.000 1.224 604 A CA 2.305 54.382 52.037 0.067 0.000 0.650 604 A CB -0.777 18.252 19.000 0.048 0.000 0.836 604 A HN 0.386 nan 8.150 nan 0.000 0.454 605 Q N -0.576 119.283 119.800 0.098 0.000 2.152 605 Q HA -0.231 4.109 4.340 0.001 0.000 0.206 605 Q C 1.950 178.028 176.000 0.131 0.000 0.985 605 Q CA 2.407 58.275 55.803 0.108 0.000 0.863 605 Q CB -0.688 28.109 28.738 0.099 0.000 0.904 605 Q HN 0.934 nan 8.270 nan 0.000 0.422 606 H N -0.685 118.429 119.070 0.073 0.000 2.428 606 H HA -0.042 4.514 4.556 0.001 0.000 0.296 606 H C 1.746 177.135 175.328 0.101 0.000 1.062 606 H CA 1.100 57.195 56.048 0.079 0.000 1.350 606 H CB 0.080 29.878 29.762 0.060 0.000 1.403 606 H HN 0.251 nan 8.280 nan 0.000 0.533 607 L N 1.009 122.083 121.223 -0.249 0.000 1.976 607 L HA -0.194 4.147 4.340 0.001 0.000 0.209 607 L C 2.843 179.661 176.870 -0.086 0.000 1.071 607 L CA 1.722 56.418 54.840 -0.240 0.000 0.746 607 L CB -0.836 41.199 42.059 -0.040 0.000 0.890 607 L HN 0.274 nan 8.230 nan 0.000 0.432 608 K N 1.304 121.716 120.400 0.022 0.000 2.137 608 K HA -0.311 4.010 4.320 0.001 0.000 0.216 608 K C 2.102 178.870 176.600 0.280 0.000 1.052 608 K CA 2.824 59.189 56.287 0.130 0.000 0.939 608 K CB -0.132 32.503 32.500 0.226 0.000 0.724 608 K HN 0.440 nan 8.250 nan 0.000 0.465 609 K N 0.395 120.916 120.400 0.202 0.000 2.002 609 K HA -0.121 4.199 4.320 0.001 0.000 0.209 609 K C 2.066 178.771 176.600 0.174 0.000 1.048 609 K CA 1.814 58.234 56.287 0.222 0.000 0.930 609 K CB -0.768 31.807 32.500 0.125 0.000 0.714 609 K HN 0.199 nan 8.250 nan 0.000 0.438 610 V N -0.472 119.466 119.914 0.041 0.000 2.490 610 V HA -0.172 3.949 4.120 0.001 0.000 0.250 610 V C 2.239 178.415 176.094 0.136 0.000 1.061 610 V CA 1.232 63.571 62.300 0.066 0.000 1.064 610 V CB -0.711 31.106 31.823 -0.009 0.000 0.670 610 V HN 0.216 nan 8.190 nan 0.000 0.461 611 L N -1.219 120.065 121.223 0.102 0.000 2.072 611 L HA 0.128 4.468 4.340 0.001 0.000 0.205 611 L C 2.335 179.222 176.870 0.028 0.000 1.079 611 L CA 1.800 56.696 54.840 0.094 0.000 0.752 611 L CB -0.591 41.454 42.059 -0.024 0.000 0.906 611 L HN 0.242 nan 8.230 nan 0.000 0.436 612 F N -0.528 119.484 119.950 0.102 0.000 2.126 612 F HA -0.255 4.272 4.527 0.001 0.000 0.299 612 F C 2.129 177.957 175.800 0.047 0.000 1.096 612 F CA 1.532 59.570 58.000 0.062 0.000 1.255 612 F CB -0.674 38.341 39.000 0.024 0.000 0.997 612 F HN -0.007 nan 8.300 nan 0.000 0.479 613 L N -1.188 120.171 121.223 0.226 0.000 2.007 613 L HA -0.185 4.155 4.340 0.001 0.000 0.205 613 L C 2.557 179.477 176.870 0.084 0.000 1.073 613 L CA 1.075 55.991 54.840 0.127 0.000 0.744 613 L CB -1.191 40.934 42.059 0.110 0.000 0.898 613 L HN 0.041 nan 8.230 nan 0.000 0.435 614 Q N 0.727 120.613 119.800 0.144 0.000 2.133 614 Q HA -0.294 4.047 4.340 0.001 0.000 0.208 614 Q C 2.272 178.368 176.000 0.160 0.000 0.991 614 Q CA 2.524 58.456 55.803 0.215 0.000 0.867 614 Q CB -0.364 28.614 28.738 0.400 0.000 0.911 614 Q HN 0.725 nan 8.270 nan 0.000 0.417 615 Q N 0.162 120.043 119.800 0.135 0.000 2.096 615 Q HA -0.158 4.183 4.340 0.001 0.000 0.204 615 Q C 1.092 176.991 176.000 -0.169 0.000 0.982 615 Q CA 1.649 57.452 55.803 0.000 0.000 0.850 615 Q CB -0.268 28.568 28.738 0.164 0.000 0.901 615 Q HN 0.285 nan 8.270 nan 0.000 0.422 616 D N 0.193 120.527 120.400 -0.111 0.000 2.371 616 D HA -0.103 4.538 4.640 0.001 0.000 0.221 616 D C 1.415 177.527 176.300 -0.314 0.000 0.986 616 D CA 0.667 54.570 54.000 -0.161 0.000 0.899 616 D CB 0.158 40.918 40.800 -0.067 0.000 0.902 616 D HN 0.341 nan 8.370 nan 0.000 0.530 617 Q N -0.871 118.614 119.800 -0.525 0.000 2.451 617 Q HA 0.024 4.365 4.340 0.001 0.000 0.206 617 Q C -0.126 174.838 176.000 -1.727 0.000 0.947 617 Q CA 0.654 55.865 55.803 -0.988 0.000 0.937 617 Q CB 0.274 28.340 28.738 -1.120 0.000 1.025 617 Q HN 0.133 nan 8.270 nan 0.000 0.511 618 F N -2.659 117.174 119.950 -0.194 0.000 3.476 618 F HA 0.590 5.117 4.527 0.001 0.000 0.249 618 F C 0.687 176.226 175.800 -0.434 0.000 1.471 618 F CA -0.502 57.303 58.000 -0.325 0.000 0.995 618 F CB -0.318 38.414 39.000 -0.446 0.000 1.935 618 F HN -0.169 nan 8.300 nan 0.000 0.331 619 G N -0.100 108.411 108.800 -0.481 0.000 2.825 619 G HA2 0.169 4.129 3.960 0.001 0.000 0.686 619 G HA3 0.169 4.129 3.960 0.001 0.000 0.686 619 G C 0.478 175.200 174.900 -0.297 0.000 1.362 619 G CA -0.357 44.394 45.100 -0.582 0.000 0.975 619 G HN 1.449 nan 8.290 nan 0.000 0.594 620 G N 0.046 108.722 108.800 -0.208 0.000 3.375 620 G HA2 0.368 4.329 3.960 0.001 0.000 0.247 620 G HA3 0.368 4.329 3.960 0.001 0.000 0.247 620 G C 0.850 175.709 174.900 -0.068 0.000 1.343 620 G CA 0.906 45.941 45.100 -0.107 0.000 1.368 620 G HN 1.174 nan 8.290 nan 0.000 0.549 621 N N -1.157 117.489 118.700 -0.090 0.000 2.802 621 N HA 0.167 4.907 4.740 0.001 0.000 0.254 621 N C 1.366 176.830 175.510 -0.075 0.000 1.012 621 N CA 0.175 53.190 53.050 -0.058 0.000 0.986 621 N CB 0.109 38.574 38.487 -0.037 0.000 1.711 621 N HN 0.125 nan 8.380 nan 0.000 0.581 622 G N 0.644 109.376 108.800 -0.114 0.000 2.616 622 G HA2 0.332 4.292 3.960 0.001 0.000 0.268 622 G HA3 0.332 4.292 3.960 0.001 0.000 0.268 622 G C -1.493 173.341 174.900 -0.110 0.000 1.213 622 G CA -0.924 44.105 45.100 -0.119 0.000 0.926 622 G HN 0.099 nan 8.290 nan 0.000 0.523 623 P HA -0.044 nan 4.420 nan 0.000 0.217 623 P C 0.982 178.235 177.300 -0.078 0.000 1.154 623 P CA 0.860 63.912 63.100 -0.080 0.000 0.841 623 P CB 0.401 32.060 31.700 -0.067 0.000 0.790 624 D N -0.069 120.268 120.400 -0.104 0.000 2.219 624 D HA -0.123 4.518 4.640 0.001 0.000 0.205 624 D C 2.017 178.319 176.300 0.003 0.000 0.970 624 D CA 0.564 54.528 54.000 -0.060 0.000 0.851 624 D CB -0.379 40.358 40.800 -0.104 0.000 0.943 624 D HN 0.044 nan 8.370 nan 0.000 0.488 625 c N 1.093 119.670 118.600 -0.038 0.000 2.388 625 c HA -0.111 4.459 4.570 0.001 0.000 0.277 625 c C -0.409 173.643 174.090 -0.064 0.000 1.210 625 c CA 1.071 57.368 56.329 -0.053 0.000 1.743 625 c CB -1.475 40.935 42.510 -0.168 0.000 2.047 625 c HN 0.193 nan 8.230 nan 0.000 0.458 626 P HA -0.006 nan 4.420 nan 0.000 0.217 626 P C 1.386 178.673 177.300 -0.023 0.000 1.148 626 P CA 2.385 65.456 63.100 -0.048 0.000 0.834 626 P CB -0.398 31.276 31.700 -0.043 0.000 0.783 627 G N -0.157 108.640 108.800 -0.005 0.000 2.751 627 G HA2 -0.091 3.870 3.960 0.001 0.000 0.187 627 G HA3 -0.091 3.870 3.960 0.001 0.000 0.187 627 G C 1.007 175.936 174.900 0.049 0.000 1.733 627 G CA 0.130 45.241 45.100 0.019 0.000 0.898 627 G HN 0.121 nan 8.290 nan 0.000 0.408 628 K N -0.568 119.889 120.400 0.093 0.000 2.444 628 K HA 0.288 4.609 4.320 0.001 0.000 0.193 628 K C -0.798 175.943 176.600 0.235 0.000 1.024 628 K CA -0.101 56.267 56.287 0.134 0.000 1.077 628 K CB 0.210 32.781 32.500 0.119 0.000 0.833 628 K HN 0.206 nan 8.250 nan 0.000 0.517 629 F N -0.554 119.427 119.950 0.052 0.000 2.714 629 F HA 0.178 4.706 4.527 0.001 0.000 0.313 629 F C -1.965 173.785 175.800 -0.084 0.000 1.104 629 F CA -1.303 56.653 58.000 -0.073 0.000 1.005 629 F CB 0.867 39.680 39.000 -0.312 0.000 1.268 629 F HN -0.258 nan 8.300 nan 0.000 0.449 630 c N 6.994 124.653 118.600 -1.568 0.000 2.397 630 c HA 0.515 5.085 4.570 0.001 0.000 0.325 630 c C 1.051 173.937 174.090 -2.008 0.000 1.201 630 c CA -0.608 54.901 56.329 -1.367 0.000 1.377 630 c CB 0.661 42.795 42.510 -0.627 0.000 2.038 630 c HN 0.995 nan 8.230 nan 0.000 0.457 631 L N 1.723 122.013 121.223 -1.555 0.000 2.042 631 L HA 0.216 4.556 4.340 0.001 0.000 0.204 631 L C 0.650 177.345 176.870 -0.292 0.000 1.130 631 L CA 1.274 55.546 54.840 -0.945 0.000 0.779 631 L CB -0.242 41.290 42.059 -0.877 0.000 0.918 631 L HN 0.569 nan 8.230 nan 0.000 0.450 632 F N 2.166 121.875 119.950 -0.401 0.000 2.679 632 F HA 0.332 4.859 4.527 0.001 0.000 0.351 632 F C -0.206 175.494 175.800 -0.168 0.000 1.279 632 F CA -0.497 57.375 58.000 -0.212 0.000 1.227 632 F CB -1.152 37.678 39.000 -0.282 0.000 1.623 632 F HN 0.006 nan 8.300 nan 0.000 0.666 633 K N 0.291 120.670 120.400 -0.035 0.000 2.663 633 K HA 0.193 4.514 4.320 0.001 0.000 0.267 633 K C -0.201 176.350 176.600 -0.082 0.000 1.004 633 K CA -0.038 56.195 56.287 -0.090 0.000 0.947 633 K CB 1.706 34.080 32.500 -0.210 0.000 1.372 633 K HN 0.391 nan 8.250 nan 0.000 0.411 634 S N 0.952 116.643 115.700 -0.016 0.000 3.128 634 S HA 0.385 4.856 4.470 0.001 0.000 0.171 634 S C 0.122 174.725 174.600 0.006 0.000 0.707 634 S CA 0.126 58.332 58.200 0.011 0.000 0.851 634 S CB 0.549 63.787 63.200 0.063 0.000 0.872 634 S HN 0.569 nan 8.310 nan 0.000 0.724 635 E N -0.281 119.940 120.200 0.035 0.000 2.406 635 E HA 0.131 4.482 4.350 0.001 0.000 0.215 635 E C 0.044 176.687 176.600 0.072 0.000 1.082 635 E CA 0.786 57.212 56.400 0.043 0.000 0.855 635 E CB -0.976 28.751 29.700 0.046 0.000 0.945 635 E HN 0.497 nan 8.360 nan 0.000 0.430 636 T N -0.264 114.334 114.554 0.074 0.000 9.749 636 T HA -0.342 4.008 4.350 0.001 0.000 0.394 636 T C 1.323 176.100 174.700 0.128 0.000 1.620 636 T CA 2.375 64.537 62.100 0.102 0.000 2.556 636 T CB -0.691 68.250 68.868 0.121 0.000 2.856 636 T HN 0.365 nan 8.240 nan 0.000 1.165 637 K N 0.828 121.301 120.400 0.122 0.000 2.147 637 K HA -0.030 4.290 4.320 0.001 0.000 0.205 637 K C 0.835 177.521 176.600 0.143 0.000 1.049 637 K CA 1.211 57.582 56.287 0.139 0.000 0.936 637 K CB -0.271 32.299 32.500 0.117 0.000 0.722 637 K HN 0.677 nan 8.250 nan 0.000 0.446 638 N N 0.415 119.184 118.700 0.116 0.000 2.726 638 N HA -0.162 4.578 4.740 0.001 0.000 0.253 638 N C -1.297 174.284 175.510 0.117 0.000 1.059 638 N CA 0.437 53.552 53.050 0.107 0.000 0.701 638 N CB -1.465 37.074 38.487 0.085 0.000 0.899 638 N HN -0.008 nan 8.380 nan 0.000 0.548 639 L N 0.813 122.101 121.223 0.108 0.000 2.305 639 L HA 0.415 4.756 4.340 0.001 0.000 0.281 639 L C 1.917 178.806 176.870 0.030 0.000 1.085 639 L CA 0.070 54.965 54.840 0.091 0.000 0.813 639 L CB 0.425 42.538 42.059 0.089 0.000 1.157 639 L HN 0.438 nan 8.230 nan 0.000 0.436 640 L N 0.618 121.820 121.223 -0.035 0.000 3.370 640 L HA -0.370 3.970 4.340 0.001 0.000 0.308 640 L C -0.132 176.347 176.870 -0.653 0.000 4.222 640 L CA 1.496 56.144 54.840 -0.320 0.000 1.163 640 L CB -1.311 40.469 42.059 -0.464 0.000 3.373 640 L HN 0.445 nan 8.230 nan 0.000 0.809 641 F N -1.123 118.927 119.950 0.167 0.000 2.679 641 F HA 0.535 5.063 4.527 0.001 0.000 0.341 641 F C 0.238 176.055 175.800 0.028 0.000 1.095 641 F CA -1.029 57.012 58.000 0.069 0.000 1.004 641 F CB 0.498 39.512 39.000 0.023 0.000 1.388 641 F HN -0.138 nan 8.300 nan 0.000 0.505 642 N N 0.398 119.212 118.700 0.191 0.000 2.473 642 N HA 0.124 4.865 4.740 0.001 0.000 0.291 642 N C 0.365 175.946 175.510 0.119 0.000 1.083 642 N CA -0.392 52.705 53.050 0.078 0.000 0.951 642 N CB 0.831 39.295 38.487 -0.038 0.000 1.164 642 N HN 0.602 nan 8.380 nan 0.000 0.480 643 D N 0.760 121.208 120.400 0.080 0.000 2.309 643 D HA -0.161 4.480 4.640 0.001 0.000 0.212 643 D C 0.488 176.816 176.300 0.047 0.000 0.968 643 D CA 0.833 54.866 54.000 0.055 0.000 0.882 643 D CB 0.184 41.004 40.800 0.033 0.000 0.918 643 D HN 0.616 nan 8.370 nan 0.000 0.503 644 N N -0.245 118.483 118.700 0.047 0.000 2.280 644 N HA -0.058 4.682 4.740 0.001 0.000 0.192 644 N C -0.457 175.084 175.510 0.052 0.000 1.109 644 N CA -0.062 53.012 53.050 0.039 0.000 0.855 644 N CB -0.137 38.367 38.487 0.028 0.000 0.974 644 N HN -0.202 nan 8.380 nan 0.000 0.482 645 T N 1.824 116.426 114.554 0.079 0.000 2.727 645 T HA 0.061 4.411 4.350 0.001 0.000 0.295 645 T C 0.972 175.763 174.700 0.152 0.000 0.915 645 T CA -0.310 61.836 62.100 0.077 0.000 1.066 645 T CB 1.691 70.576 68.868 0.029 0.000 0.891 645 T HN 0.078 nan 8.240 nan 0.000 0.516 646 E N 1.623 121.887 120.200 0.106 0.000 2.002 646 E HA -0.091 4.260 4.350 0.001 0.000 0.205 646 E C 1.070 177.828 176.600 0.262 0.000 1.020 646 E CA 0.970 57.447 56.400 0.129 0.000 0.856 646 E CB -0.027 29.724 29.700 0.084 0.000 0.788 646 E HN 0.858 nan 8.360 nan 0.000 0.477 647 c N -1.523 117.188 118.600 0.186 0.000 3.173 647 c HA 0.675 5.245 4.570 0.001 0.000 0.310 647 c C -0.197 173.826 174.090 -0.111 0.000 1.306 647 c CA -1.434 55.051 56.329 0.260 0.000 1.426 647 c CB 0.181 42.815 42.510 0.206 0.000 1.800 647 c HN 0.274 nan 8.230 nan 0.000 0.470 648 L N 2.714 123.718 121.223 -0.365 0.000 2.367 648 L HA 0.599 4.939 4.340 0.001 0.000 0.275 648 L C 0.835 177.606 176.870 -0.165 0.000 1.129 648 L CA 0.384 55.000 54.840 -0.374 0.000 0.839 648 L CB 1.014 42.790 42.059 -0.473 0.000 1.133 648 L HN 1.064 nan 8.230 nan 0.000 0.453 649 A N 3.462 126.253 122.820 -0.048 0.000 2.392 649 A HA 0.624 4.944 4.320 0.001 0.000 0.283 649 A C -0.641 177.019 177.584 0.127 0.000 1.197 649 A CA -0.714 51.378 52.037 0.091 0.000 0.895 649 A CB 0.863 19.929 19.000 0.110 0.000 1.400 649 A HN 0.562 nan 8.150 nan 0.000 0.461 650 E N 0.405 120.735 120.200 0.217 0.000 2.338 650 E HA 0.355 4.705 4.350 0.001 0.000 0.272 650 E C -0.565 176.054 176.600 0.031 0.000 1.029 650 E CA -0.173 56.328 56.400 0.167 0.000 0.872 650 E CB 0.548 30.356 29.700 0.180 0.000 1.015 650 E HN 0.392 nan 8.360 nan 0.000 0.417 651 L N 1.824 123.019 121.223 -0.048 0.000 2.476 651 L HA 0.086 4.427 4.340 0.001 0.000 0.255 651 L C 0.922 177.729 176.870 -0.105 0.000 1.218 651 L CA -0.008 54.714 54.840 -0.196 0.000 0.819 651 L CB -0.253 41.657 42.059 -0.248 0.000 1.119 651 L HN 0.267 nan 8.230 nan 0.000 0.485 652 Q N 0.597 120.325 119.800 -0.121 0.000 2.526 652 Q HA 0.401 4.741 4.340 0.001 0.000 0.353 652 Q C 0.932 176.911 176.000 -0.035 0.000 0.977 652 Q CA 0.609 56.383 55.803 -0.049 0.000 1.027 652 Q CB 0.180 28.901 28.738 -0.028 0.000 1.272 652 Q HN 0.905 nan 8.270 nan 0.000 0.420 653 G N 0.057 108.835 108.800 -0.036 0.000 2.241 653 G HA2 -0.261 3.700 3.960 0.001 0.000 0.244 653 G HA3 -0.261 3.700 3.960 0.001 0.000 0.244 653 G C 0.187 175.073 174.900 -0.023 0.000 0.998 653 G CA -0.268 44.822 45.100 -0.018 0.000 0.621 653 G HN 0.289 nan 8.290 nan 0.000 0.519 654 K N 2.515 122.884 120.400 -0.051 0.000 2.256 654 K HA 0.135 4.456 4.320 0.001 0.000 0.213 654 K C 1.831 178.421 176.600 -0.016 0.000 1.182 654 K CA 1.052 57.319 56.287 -0.032 0.000 1.224 654 K CB -0.619 31.841 32.500 -0.065 0.000 1.197 654 K HN 0.778 nan 8.250 nan 0.000 0.223 655 T N -2.393 112.169 114.554 0.014 0.000 2.851 655 T HA -0.086 4.265 4.350 0.001 0.000 0.262 655 T C 1.039 175.790 174.700 0.085 0.000 1.043 655 T CA 0.616 62.740 62.100 0.039 0.000 1.140 655 T CB -0.231 68.657 68.868 0.035 0.000 0.872 655 T HN 0.429 nan 8.240 nan 0.000 0.446 656 T N 0.343 114.939 114.554 0.070 0.000 2.899 656 T HA 0.396 4.746 4.350 0.001 0.000 0.284 656 T C 0.977 175.753 174.700 0.126 0.000 1.004 656 T CA -0.427 61.734 62.100 0.102 0.000 1.043 656 T CB 0.777 69.645 68.868 0.000 0.000 1.013 656 T HN 0.426 nan 8.240 nan 0.000 0.518 657 Y N 0.325 120.645 120.300 0.034 0.000 2.181 657 Y HA 0.031 4.582 4.550 0.001 0.000 0.288 657 Y C 2.108 178.020 175.900 0.020 0.000 1.146 657 Y CA 1.226 59.347 58.100 0.036 0.000 1.164 657 Y CB -1.338 37.095 38.460 -0.044 0.000 0.982 657 Y HN 0.711 nan 8.280 nan 0.000 0.515 658 E N 0.293 120.037 120.200 -0.760 0.000 2.284 658 E HA -0.242 4.108 4.350 0.001 0.000 0.200 658 E C 2.010 178.503 176.600 -0.179 0.000 1.008 658 E CA 1.896 57.982 56.400 -0.524 0.000 0.829 658 E CB -0.076 29.286 29.700 -0.564 0.000 0.744 658 E HN 0.741 nan 8.360 nan 0.000 0.491 659 Q N -0.948 118.800 119.800 -0.086 0.000 2.042 659 Q HA -0.100 4.241 4.340 0.001 0.000 0.194 659 Q C 1.931 178.007 176.000 0.126 0.000 0.978 659 Q CA 0.553 56.367 55.803 0.019 0.000 0.828 659 Q CB -0.573 28.186 28.738 0.033 0.000 0.901 659 Q HN 0.285 nan 8.270 nan 0.000 0.461 660 Y N 2.341 122.640 120.300 -0.002 0.000 2.040 660 Y HA -0.248 4.302 4.550 0.001 0.000 0.275 660 Y C 2.088 177.999 175.900 0.019 0.000 1.171 660 Y CA 1.445 59.558 58.100 0.021 0.000 1.123 660 Y CB -0.733 37.752 38.460 0.043 0.000 0.963 660 Y HN 0.034 nan 8.280 nan 0.000 0.493 661 L N -0.629 120.606 121.223 0.020 0.000 2.005 661 L HA 0.057 4.398 4.340 0.001 0.000 0.207 661 L C 1.215 178.100 176.870 0.026 0.000 1.072 661 L CA 1.060 55.837 54.840 -0.104 0.000 0.744 661 L CB -1.194 40.753 42.059 -0.187 0.000 0.895 661 L HN 0.442 nan 8.230 nan 0.000 0.433 662 G N -0.624 108.193 108.800 0.027 0.000 3.055 662 G HA2 -0.183 3.778 3.960 0.001 0.000 0.686 662 G HA3 -0.183 3.778 3.960 0.001 0.000 0.686 662 G C 0.612 175.546 174.900 0.057 0.000 1.087 662 G CA -0.030 45.098 45.100 0.046 0.000 0.779 662 G HN 0.380 nan 8.290 nan 0.000 0.599 663 S N 0.922 116.639 115.700 0.028 0.000 2.112 663 S HA -0.434 4.037 4.470 0.001 0.000 0.467 663 S C 1.742 176.389 174.600 0.077 0.000 0.990 663 S CA 2.531 60.752 58.200 0.036 0.000 2.788 663 S CB -1.048 62.168 63.200 0.028 0.000 2.015 663 S HN 1.362 nan 8.310 nan 0.000 0.525 664 E N -0.265 119.984 120.200 0.082 0.000 2.095 664 E HA -0.269 4.081 4.350 0.001 0.000 0.212 664 E C 2.004 178.699 176.600 0.158 0.000 1.044 664 E CA 2.184 58.639 56.400 0.092 0.000 0.857 664 E CB -0.370 29.367 29.700 0.061 0.000 0.764 664 E HN 0.727 nan 8.360 nan 0.000 0.462 665 Y N 1.148 121.462 120.300 0.023 0.000 2.089 665 Y HA -0.200 4.350 4.550 0.001 0.000 0.282 665 Y C 2.348 178.287 175.900 0.065 0.000 1.139 665 Y CA 1.015 59.132 58.100 0.029 0.000 1.123 665 Y CB -0.878 37.598 38.460 0.027 0.000 0.980 665 Y HN -0.127 nan 8.280 nan 0.000 0.493 666 V N 0.561 120.619 119.914 0.239 0.000 2.236 666 V HA -0.472 3.649 4.120 0.001 0.000 0.255 666 V C 2.573 178.793 176.094 0.211 0.000 1.068 666 V CA 3.405 65.799 62.300 0.156 0.000 1.044 666 V CB -1.533 30.316 31.823 0.043 0.000 0.653 666 V HN 0.681 nan 8.190 nan 0.000 0.448 667 T N -3.089 111.557 114.554 0.153 0.000 2.708 667 T HA -0.234 4.116 4.350 0.001 0.000 0.266 667 T C 2.028 176.808 174.700 0.134 0.000 1.037 667 T CA 1.830 64.006 62.100 0.127 0.000 1.146 667 T CB -0.681 68.236 68.868 0.082 0.000 0.865 667 T HN 0.374 nan 8.240 nan 0.000 0.435 668 S N 0.930 116.712 115.700 0.138 0.000 2.383 668 S HA 0.020 4.490 4.470 0.001 0.000 0.229 668 S C 1.852 176.510 174.600 0.097 0.000 1.030 668 S CA 0.984 59.240 58.200 0.093 0.000 1.002 668 S CB -0.737 62.496 63.200 0.054 0.000 0.829 668 S HN 0.575 nan 8.310 nan 0.000 0.467 669 I N 0.947 121.628 120.570 0.186 0.000 3.164 669 I HA -0.108 4.063 4.170 0.001 0.000 0.278 669 I C 1.051 177.145 176.117 -0.039 0.000 1.320 669 I CA 1.155 62.499 61.300 0.074 0.000 1.422 669 I CB -0.108 37.922 38.000 0.049 0.000 1.066 669 I HN 0.333 nan 8.210 nan 0.000 0.503 670 T N -0.853 113.758 114.554 0.095 0.000 3.034 670 T HA 0.056 4.406 4.350 0.001 0.000 0.248 670 T C 1.471 176.199 174.700 0.045 0.000 1.040 670 T CA 0.442 62.612 62.100 0.117 0.000 1.107 670 T CB -0.180 68.813 68.868 0.209 0.000 0.932 670 T HN 0.336 nan 8.240 nan 0.000 0.474 671 N N 1.408 120.122 118.700 0.022 0.000 2.036 671 N HA -0.068 4.673 4.740 0.001 0.000 0.195 671 N C 1.639 177.094 175.510 -0.091 0.000 1.037 671 N CA 1.034 54.065 53.050 -0.033 0.000 0.855 671 N CB -0.248 38.212 38.487 -0.045 0.000 1.033 671 N HN 0.115 nan 8.380 nan 0.000 0.423 672 L N 0.867 122.040 121.223 -0.082 0.000 2.127 672 L HA -0.150 4.190 4.340 0.001 0.000 0.211 672 L C 2.115 178.980 176.870 -0.009 0.000 1.089 672 L CA 1.412 56.209 54.840 -0.072 0.000 0.757 672 L CB -0.912 41.139 42.059 -0.014 0.000 0.899 672 L HN 0.299 nan 8.230 nan 0.000 0.434 673 R N -0.442 120.055 120.500 -0.005 0.000 2.139 673 R HA -0.228 4.112 4.340 0.001 0.000 0.243 673 R C 2.260 178.576 176.300 0.027 0.000 1.145 673 R CA 1.181 57.297 56.100 0.025 0.000 0.976 673 R CB -0.234 30.099 30.300 0.056 0.000 0.866 673 R HN 0.170 nan 8.270 nan 0.000 0.449 674 R N 0.535 121.029 120.500 -0.009 0.000 2.143 674 R HA -0.222 4.119 4.340 0.001 0.000 0.239 674 R C 2.245 178.534 176.300 -0.018 0.000 1.126 674 R CA 2.462 58.547 56.100 -0.025 0.000 0.927 674 R CB -0.968 29.281 30.300 -0.085 0.000 0.860 674 R HN 0.285 nan 8.270 nan 0.000 0.433 675 c N -1.103 117.468 118.600 -0.049 0.000 2.442 675 c HA 0.065 4.635 4.570 0.001 0.000 0.279 675 c C 0.964 175.097 174.090 0.071 0.000 1.237 675 c CA 0.844 57.163 56.329 -0.018 0.000 1.722 675 c CB -0.722 41.741 42.510 -0.077 0.000 2.056 675 c HN 0.656 nan 8.230 nan 0.000 0.469 676 S N -1.413 114.378 115.700 0.152 0.000 2.570 676 S HA 0.698 5.168 4.470 0.001 0.000 0.270 676 S C -1.081 173.582 174.600 0.105 0.000 1.149 676 S CA -0.551 57.731 58.200 0.138 0.000 0.837 676 S CB 1.947 65.264 63.200 0.195 0.000 1.124 676 S HN 0.363 nan 8.310 nan 0.000 0.465 677 S N 0.397 116.136 115.700 0.066 0.000 2.705 677 S HA 0.783 5.254 4.470 0.001 0.000 0.280 677 S C -0.957 173.658 174.600 0.024 0.000 1.174 677 S CA -0.811 57.413 58.200 0.041 0.000 0.823 677 S CB 1.650 64.879 63.200 0.047 0.000 1.162 677 S HN 0.874 nan 8.310 nan 0.000 0.487 678 S N 1.808 117.520 115.700 0.020 0.000 2.525 678 S HA 0.471 4.942 4.470 0.001 0.000 0.290 678 S C -1.736 172.871 174.600 0.012 0.000 1.152 678 S CA -2.144 56.062 58.200 0.010 0.000 1.072 678 S CB 0.881 64.088 63.200 0.011 0.000 1.027 678 S HN 0.465 nan 8.310 nan 0.000 0.500 679 P HA -0.123 nan 4.420 nan 0.000 0.218 679 P C 1.576 178.867 177.300 -0.015 0.000 1.148 679 P CA 0.663 63.750 63.100 -0.022 0.000 0.822 679 P CB 0.032 31.710 31.700 -0.036 0.000 0.784 680 L N -0.302 120.919 121.223 -0.003 0.000 2.005 680 L HA -0.075 4.266 4.340 0.001 0.000 0.207 680 L C 2.318 179.206 176.870 0.030 0.000 1.072 680 L CA 1.664 56.507 54.840 0.006 0.000 0.744 680 L CB -1.890 40.171 42.059 0.003 0.000 0.895 680 L HN -0.156 nan 8.230 nan 0.000 0.433 681 L N -0.050 121.203 121.223 0.051 0.000 2.131 681 L HA -0.171 4.169 4.340 0.001 0.000 0.210 681 L C 2.470 179.386 176.870 0.077 0.000 1.092 681 L CA 1.657 56.548 54.840 0.084 0.000 0.759 681 L CB -0.936 41.201 42.059 0.129 0.000 0.903 681 L HN 0.519 nan 8.230 nan 0.000 0.435 682 E N -0.699 119.533 120.200 0.055 0.000 2.017 682 E HA -0.242 4.108 4.350 0.001 0.000 0.193 682 E C 2.125 178.770 176.600 0.074 0.000 0.997 682 E CA 1.229 57.660 56.400 0.051 0.000 0.804 682 E CB -0.100 29.604 29.700 0.007 0.000 0.757 682 E HN 0.557 nan 8.360 nan 0.000 0.448 683 A N 0.802 123.646 122.820 0.039 0.000 1.903 683 A HA -0.269 4.052 4.320 0.001 0.000 0.219 683 A C 2.568 180.247 177.584 0.158 0.000 1.191 683 A CA 1.840 53.917 52.037 0.068 0.000 0.638 683 A CB -1.185 17.828 19.000 0.023 0.000 0.823 683 A HN 0.509 nan 8.150 nan 0.000 0.451 684 c N -1.297 117.362 118.600 0.098 0.000 2.436 684 c HA 0.020 4.591 4.570 0.001 0.000 0.277 684 c C 3.344 177.494 174.090 0.099 0.000 1.241 684 c CA 0.919 57.297 56.329 0.081 0.000 1.721 684 c CB -1.451 41.077 42.510 0.029 0.000 2.043 684 c HN 0.732 nan 8.230 nan 0.000 0.472 685 A N -0.588 122.294 122.820 0.103 0.000 1.997 685 A HA -0.270 4.051 4.320 0.001 0.000 0.221 685 A C 1.917 179.587 177.584 0.143 0.000 1.172 685 A CA 2.189 54.289 52.037 0.105 0.000 0.645 685 A CB -0.775 18.290 19.000 0.109 0.000 0.813 685 A HN 0.675 nan 8.150 nan 0.000 0.454 686 F N -0.997 118.962 119.950 0.015 0.000 2.387 686 F HA 0.154 4.682 4.527 0.001 0.000 0.294 686 F C 1.747 177.566 175.800 0.033 0.000 1.093 686 F CA 0.736 58.744 58.000 0.014 0.000 1.420 686 F CB 0.085 39.079 39.000 -0.009 0.000 1.086 686 F HN 0.098 nan 8.300 nan 0.000 0.531 687 L N 0.433 121.760 121.223 0.174 0.000 2.145 687 L HA 0.100 4.441 4.340 0.001 0.000 0.201 687 L C 1.537 178.384 176.870 -0.038 0.000 1.075 687 L CA 0.825 55.697 54.840 0.054 0.000 0.773 687 L CB -0.639 41.536 42.059 0.193 0.000 0.936 687 L HN 0.029 nan 8.230 nan 0.000 0.451 688 R N 0.975 121.475 120.500 0.000 0.000 4.902 688 R HA 0.200 4.540 4.340 0.001 0.000 0.201 688 R C 0.294 176.579 176.300 -0.026 0.000 2.020 688 R CA -0.148 55.944 56.100 -0.013 0.000 1.674 688 R CB -0.290 30.011 30.300 0.002 0.000 1.349 688 R HN 0.215 nan 8.270 nan 0.000 0.813 689 A N 0.000 122.778 122.820 -0.070 0.000 2.254 689 A HA 0.000 4.321 4.320 0.001 0.000 0.244 689 A CA 0.000 51.995 52.037 -0.071 0.000 0.836 689 A CB 0.000 18.912 19.000 -0.147 0.000 0.831 689 A HN 0.000 nan 8.150 nan 0.000 0.486