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 1b1x_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 0.000 177.583 177.584 -0.002 0.000 1.274 1 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 2 P HA 0.634 nan 4.420 nan 0.000 0.271 2 P C -0.448 176.851 177.300 -0.002 0.000 1.218 2 P CA 0.209 63.307 63.100 -0.003 0.000 0.780 2 P CB 0.527 32.224 31.700 -0.004 0.000 0.901 3 R N 1.622 122.121 120.500 -0.001 0.000 2.534 3 R HA 0.402 4.747 4.340 0.007 0.000 0.301 3 R C -0.032 176.268 176.300 -0.000 0.000 0.961 3 R CA -0.892 55.209 56.100 0.001 0.000 0.871 3 R CB 0.902 31.205 30.300 0.004 0.000 1.170 3 R HN 0.210 nan 8.270 nan 0.000 0.446 4 K N 0.842 121.242 120.400 -0.000 0.000 2.244 4 K HA 0.206 4.530 4.320 0.007 0.000 0.242 4 K C -0.492 176.108 176.600 0.001 0.000 1.082 4 K CA 0.266 56.552 56.287 -0.002 0.000 0.841 4 K CB 0.297 32.795 32.500 -0.002 0.000 1.129 4 K HN 0.730 nan 8.250 nan 0.000 0.516 5 S N -0.948 114.752 115.700 0.000 0.000 2.617 5 S HA 0.435 4.910 4.470 0.007 0.000 0.283 5 S C -0.524 174.089 174.600 0.022 0.000 1.189 5 S CA -1.056 57.147 58.200 0.004 0.000 1.036 5 S CB 1.432 64.627 63.200 -0.008 0.000 1.014 5 S HN 0.195 nan 8.310 nan 0.000 0.522 6 V N 2.712 122.654 119.914 0.047 0.000 2.455 6 V HA 0.284 4.408 4.120 0.007 0.000 0.273 6 V C 0.603 176.758 176.094 0.100 0.000 1.045 6 V CA -0.357 61.993 62.300 0.083 0.000 0.976 6 V CB 0.199 32.124 31.823 0.169 0.000 0.993 6 V HN 0.802 nan 8.190 nan 0.000 0.475 7 R N 4.756 125.287 120.500 0.053 0.000 2.210 7 R HA 0.196 4.540 4.340 0.007 0.000 0.338 7 R C -0.566 175.768 176.300 0.057 0.000 1.062 7 R CA -0.282 55.850 56.100 0.053 0.000 0.902 7 R CB 0.791 31.093 30.300 0.003 0.000 1.050 7 R HN 0.700 nan 8.270 nan 0.000 0.461 8 W N 4.986 126.293 121.300 0.011 0.000 2.338 8 W HA 0.207 4.871 4.660 0.007 0.000 0.307 8 W C -0.446 176.078 176.519 0.008 0.000 1.167 8 W CA -1.068 56.294 57.345 0.029 0.000 1.208 8 W CB 1.402 30.911 29.460 0.081 0.000 1.228 8 W HN 0.471 nan 8.180 nan 0.000 0.499 9 c N 6.717 125.249 118.600 -0.113 0.000 2.415 9 c HA 0.539 5.114 4.570 0.007 0.000 0.369 9 c C 0.805 174.970 174.090 0.126 0.000 1.279 9 c CA 0.143 56.466 56.329 -0.010 0.000 1.886 9 c CB -0.542 41.896 42.510 -0.120 0.000 2.468 9 c HN 0.647 nan 8.230 nan 0.000 0.553 10 T N 3.579 118.203 114.554 0.118 0.000 2.940 10 T HA 0.529 4.883 4.350 0.007 0.000 0.288 10 T C 0.514 175.239 174.700 0.041 0.000 1.033 10 T CA -0.692 61.474 62.100 0.110 0.000 1.033 10 T CB 1.318 70.250 68.868 0.107 0.000 1.079 10 T HN 0.835 nan 8.240 nan 0.000 0.496 11 I N -1.205 119.378 120.570 0.021 0.000 4.154 11 I HA 0.415 4.590 4.170 0.007 0.000 0.334 11 I C -0.058 176.030 176.117 -0.049 0.000 1.371 11 I CA -0.618 60.668 61.300 -0.022 0.000 1.110 11 I CB 0.157 38.131 38.000 -0.043 0.000 1.085 11 I HN 0.728 nan 8.210 nan 0.000 0.398 12 S N -1.084 114.600 115.700 -0.028 0.000 2.578 12 S HA 0.482 4.956 4.470 0.007 0.000 0.272 12 S C -2.621 171.971 174.600 -0.013 0.000 1.145 12 S CA -0.781 57.396 58.200 -0.037 0.000 0.835 12 S CB 1.550 64.711 63.200 -0.065 0.000 1.104 12 S HN -0.228 nan 8.310 nan 0.000 0.458 13 P HA -0.105 nan 4.420 nan 0.000 0.216 13 P C 1.679 178.981 177.300 0.003 0.000 1.153 13 P CA 2.473 65.570 63.100 -0.005 0.000 0.858 13 P CB -0.164 31.530 31.700 -0.010 0.000 0.789 14 A N -0.477 122.345 122.820 0.004 0.000 1.940 14 A HA -0.261 4.063 4.320 0.007 0.000 0.219 14 A C 2.291 179.890 177.584 0.027 0.000 1.176 14 A CA 1.855 53.902 52.037 0.016 0.000 0.631 14 A CB -1.232 17.779 19.000 0.019 0.000 0.814 14 A HN 0.192 nan 8.150 nan 0.000 0.446 15 E N -0.563 119.652 120.200 0.027 0.000 2.107 15 E HA -0.003 4.352 4.350 0.007 0.000 0.191 15 E C 2.230 178.857 176.600 0.045 0.000 0.982 15 E CA 0.688 57.113 56.400 0.041 0.000 0.809 15 E CB -0.191 29.536 29.700 0.044 0.000 0.756 15 E HN 0.566 nan 8.360 nan 0.000 0.459 16 A N 1.448 124.290 122.820 0.035 0.000 1.865 16 A HA -0.188 4.136 4.320 0.007 0.000 0.217 16 A C 2.426 180.025 177.584 0.024 0.000 1.191 16 A CA 1.980 54.038 52.037 0.035 0.000 0.623 16 A CB -1.008 18.005 19.000 0.021 0.000 0.826 16 A HN 0.381 nan 8.150 nan 0.000 0.444 17 A N -0.154 122.675 122.820 0.015 0.000 1.903 17 A HA -0.278 4.046 4.320 0.007 0.000 0.219 17 A C 2.158 179.748 177.584 0.010 0.000 1.191 17 A CA 2.472 54.512 52.037 0.005 0.000 0.638 17 A CB -0.595 18.409 19.000 0.007 0.000 0.823 17 A HN 0.616 nan 8.150 nan 0.000 0.451 18 K N -0.820 119.601 120.400 0.035 0.000 2.026 18 K HA -0.204 4.120 4.320 0.007 0.000 0.208 18 K C 2.165 178.802 176.600 0.063 0.000 1.048 18 K CA 1.676 58.002 56.287 0.066 0.000 0.929 18 K CB -0.596 31.955 32.500 0.086 0.000 0.713 18 K HN 0.523 nan 8.250 nan 0.000 0.439 19 c N 0.598 119.235 118.600 0.062 0.000 2.413 19 c HA -0.042 4.532 4.570 0.007 0.000 0.276 19 c C 2.810 176.906 174.090 0.010 0.000 1.248 19 c CA 1.220 57.600 56.329 0.085 0.000 1.742 19 c CB -1.098 41.466 42.510 0.089 0.000 2.017 19 c HN 0.629 nan 8.230 nan 0.000 0.481 20 A N -0.067 122.736 122.820 -0.029 0.000 1.902 20 A HA -0.214 4.111 4.320 0.007 0.000 0.217 20 A C 2.206 179.695 177.584 -0.158 0.000 1.181 20 A CA 2.117 54.106 52.037 -0.080 0.000 0.623 20 A CB -0.715 18.250 19.000 -0.057 0.000 0.818 20 A HN 0.742 nan 8.150 nan 0.000 0.443 21 K N -1.599 118.693 120.400 -0.181 0.000 2.097 21 K HA -0.142 4.183 4.320 0.007 0.000 0.206 21 K C 1.708 177.901 176.600 -0.678 0.000 1.049 21 K CA 1.539 57.621 56.287 -0.340 0.000 0.933 21 K CB -0.322 32.030 32.500 -0.247 0.000 0.717 21 K HN 0.389 nan 8.250 nan 0.000 0.442 22 F N 1.992 121.464 119.950 -0.797 0.000 2.113 22 F HA -0.119 4.411 4.527 0.005 0.000 0.297 22 F C 2.299 177.808 175.800 -0.485 0.000 1.103 22 F CA 1.760 59.229 58.000 -0.884 0.000 1.248 22 F CB -0.889 37.928 39.000 -0.305 0.000 0.999 22 F HN 0.185 nan 8.300 nan 0.000 0.475 23 Q N 0.404 119.947 119.800 -0.429 0.000 2.050 23 Q HA -0.243 4.101 4.340 0.007 0.000 0.202 23 Q C 2.576 178.394 176.000 -0.302 0.000 0.980 23 Q CA 1.874 57.433 55.803 -0.406 0.000 0.840 23 Q CB -0.441 28.153 28.738 -0.240 0.000 0.898 23 Q HN 0.421 nan 8.270 nan 0.000 0.424 24 R N 0.013 120.351 120.500 -0.270 0.000 2.082 24 R HA -0.161 4.183 4.340 0.007 0.000 0.234 24 R C 1.659 177.830 176.300 -0.214 0.000 1.136 24 R CA 2.092 58.064 56.100 -0.213 0.000 0.935 24 R CB -0.264 29.915 30.300 -0.202 0.000 0.842 24 R HN 0.374 nan 8.270 nan 0.000 0.430 25 N N -0.030 118.469 118.700 -0.336 0.000 2.381 25 N HA -0.139 4.606 4.740 0.007 0.000 0.182 25 N C 1.431 176.928 175.510 -0.022 0.000 1.025 25 N CA 1.050 53.948 53.050 -0.253 0.000 0.888 25 N CB -0.072 38.069 38.487 -0.578 0.000 0.965 25 N HN 0.158 nan 8.380 nan 0.000 0.438 26 M N 0.938 120.489 119.600 -0.082 0.000 2.156 26 M HA -0.050 4.435 4.480 0.007 0.000 0.264 26 M C 1.894 178.201 176.300 0.013 0.000 1.067 26 M CA 1.373 56.695 55.300 0.038 0.000 1.131 26 M CB -0.151 32.321 32.600 -0.214 0.000 1.368 26 M HN -0.047 nan 8.290 nan 0.000 0.416 27 K N 0.092 120.460 120.400 -0.053 0.000 2.217 27 K HA -0.161 4.163 4.320 0.007 0.000 0.202 27 K C 1.872 178.468 176.600 -0.007 0.000 1.051 27 K CA 1.378 57.643 56.287 -0.037 0.000 0.952 27 K CB -0.496 31.967 32.500 -0.062 0.000 0.736 27 K HN 0.432 nan 8.250 nan 0.000 0.453 28 K N 0.981 121.384 120.400 0.005 0.000 2.288 28 K HA -0.007 4.317 4.320 0.007 0.000 0.201 28 K C 1.388 178.023 176.600 0.059 0.000 1.048 28 K CA 0.755 57.057 56.287 0.025 0.000 0.956 28 K CB 0.274 32.787 32.500 0.022 0.000 0.746 28 K HN -0.002 nan 8.250 nan 0.000 0.461 29 V N 1.176 121.149 119.914 0.097 0.000 3.649 29 V HA 0.064 4.188 4.120 0.007 0.000 0.275 29 V C 0.037 176.157 176.094 0.044 0.000 1.281 29 V CA 0.184 62.542 62.300 0.097 0.000 1.143 29 V CB -0.797 31.125 31.823 0.165 0.000 0.892 29 V HN 0.400 nan 8.190 nan 0.000 0.441 30 R N 0.380 120.897 120.500 0.029 0.000 3.267 30 R HA -0.148 4.196 4.340 0.007 0.000 0.254 30 R C 0.493 176.797 176.300 0.006 0.000 0.993 30 R CA 0.524 56.630 56.100 0.009 0.000 0.670 30 R CB -1.753 28.551 30.300 0.006 0.000 1.125 30 R HN 0.604 nan 8.270 nan 0.000 0.434 31 G N 0.213 109.019 108.800 0.010 0.000 2.788 31 G HA2 0.690 4.654 3.960 0.007 0.000 0.293 31 G HA3 0.690 4.654 3.960 0.007 0.000 0.293 31 G C -2.588 172.305 174.900 -0.012 0.000 1.305 31 G CA -1.496 43.607 45.100 0.005 0.000 1.005 31 G HN -0.063 nan 8.290 nan 0.000 0.496 32 P HA 0.109 nan 4.420 nan 0.000 0.261 32 P C 0.233 177.496 177.300 -0.061 0.000 1.173 32 P CA 0.073 63.157 63.100 -0.027 0.000 0.760 32 P CB 0.528 32.219 31.700 -0.015 0.000 0.783 33 S N 1.705 117.370 115.700 -0.058 0.000 2.565 33 S HA 0.460 4.934 4.470 0.007 0.000 0.276 33 S C 0.085 174.627 174.600 -0.098 0.000 1.326 33 S CA -0.685 57.464 58.200 -0.086 0.000 1.045 33 S CB 0.518 63.685 63.200 -0.056 0.000 0.918 33 S HN 0.202 nan 8.310 nan 0.000 0.505 34 V N 0.900 120.718 119.914 -0.159 0.000 3.046 34 V HA 0.880 5.004 4.120 0.007 0.000 0.316 34 V C 0.148 176.196 176.094 -0.078 0.000 1.104 34 V CA -0.860 61.358 62.300 -0.137 0.000 1.006 34 V CB 1.858 33.469 31.823 -0.355 0.000 1.058 34 V HN 0.979 nan 8.190 nan 0.000 0.440 35 S N -0.265 115.436 115.700 0.002 0.000 2.588 35 S HA 0.690 5.164 4.470 0.007 0.000 0.275 35 S C -1.363 173.281 174.600 0.074 0.000 1.130 35 S CA -0.377 57.831 58.200 0.014 0.000 0.855 35 S CB 1.602 64.812 63.200 0.017 0.000 1.116 35 S HN 0.884 nan 8.310 nan 0.000 0.472 36 c N 4.316 122.951 118.600 0.058 0.000 2.381 36 c HA 0.608 5.183 4.570 0.007 0.000 0.328 36 c C -0.249 173.880 174.090 0.065 0.000 1.190 36 c CA -1.122 55.266 56.329 0.099 0.000 1.369 36 c CB -0.329 42.231 42.510 0.083 0.000 2.029 36 c HN 0.704 nan 8.230 nan 0.000 0.448 37 I N 2.561 123.173 120.570 0.069 0.000 2.834 37 I HA 0.499 4.674 4.170 0.007 0.000 0.305 37 I C 0.526 176.664 176.117 0.036 0.000 1.008 37 I CA -0.160 61.160 61.300 0.034 0.000 1.273 37 I CB 0.649 38.656 38.000 0.012 0.000 1.432 37 I HN 0.572 nan 8.210 nan 0.000 0.557 38 R N 3.234 123.745 120.500 0.018 0.000 2.473 38 R HA 0.402 4.746 4.340 0.007 0.000 0.303 38 R C -0.693 175.609 176.300 0.002 0.000 1.002 38 R CA -0.794 55.314 56.100 0.014 0.000 0.884 38 R CB 2.027 32.333 30.300 0.010 0.000 1.173 38 R HN 0.467 nan 8.270 nan 0.000 0.464 39 K N 0.431 120.831 120.400 -0.001 0.000 2.346 39 K HA 0.366 4.691 4.320 0.007 0.000 0.238 39 K C 0.993 177.586 176.600 -0.013 0.000 1.039 39 K CA -0.544 55.738 56.287 -0.008 0.000 0.861 39 K CB 1.733 34.225 32.500 -0.014 0.000 1.278 39 K HN 0.517 nan 8.250 nan 0.000 0.460 40 T N -3.045 111.501 114.554 -0.013 0.000 3.069 40 T HA 0.152 4.506 4.350 0.007 0.000 0.252 40 T C 0.421 175.102 174.700 -0.032 0.000 1.053 40 T CA -0.147 61.938 62.100 -0.026 0.000 0.964 40 T CB -0.205 68.649 68.868 -0.023 0.000 1.005 40 T HN 0.506 nan 8.240 nan 0.000 0.532 41 S N -0.937 114.756 115.700 -0.012 0.000 2.578 41 S HA 0.434 4.908 4.470 0.007 0.000 0.272 41 S C 0.479 175.074 174.600 -0.009 0.000 1.145 41 S CA -0.419 57.782 58.200 0.002 0.000 0.835 41 S CB 1.168 64.422 63.200 0.091 0.000 1.104 41 S HN -0.060 nan 8.310 nan 0.000 0.458 42 S N 0.369 116.032 115.700 -0.061 0.000 2.400 42 S HA -0.015 4.460 4.470 0.007 0.000 0.232 42 S C 1.159 175.630 174.600 -0.214 0.000 1.025 42 S CA 1.507 59.611 58.200 -0.160 0.000 0.993 42 S CB -0.725 62.338 63.200 -0.228 0.000 0.808 42 S HN 0.601 nan 8.310 nan 0.000 0.478 43 F N 1.642 121.559 119.950 -0.055 0.000 2.216 43 F HA -0.018 4.513 4.527 0.006 0.000 0.300 43 F C 2.433 178.149 175.800 -0.139 0.000 1.085 43 F CA 0.785 58.724 58.000 -0.101 0.000 1.326 43 F CB -0.359 38.602 39.000 -0.067 0.000 1.027 43 F HN 0.231 nan 8.300 nan 0.000 0.497 44 E N -1.007 119.237 120.200 0.074 0.000 2.158 44 E HA -0.146 4.208 4.350 0.007 0.000 0.191 44 E C 2.146 178.716 176.600 -0.049 0.000 0.982 44 E CA 0.919 57.325 56.400 0.009 0.000 0.823 44 E CB -0.115 29.596 29.700 0.019 0.000 0.766 44 E HN 0.352 nan 8.360 nan 0.000 0.468 45 c N 0.285 118.840 118.600 -0.075 0.000 2.446 45 c HA 0.004 4.579 4.570 0.007 0.000 0.279 45 c C 2.412 176.416 174.090 -0.144 0.000 1.366 45 c CA 0.010 56.276 56.329 -0.105 0.000 1.763 45 c CB -0.673 41.766 42.510 -0.117 0.000 1.929 45 c HN 0.443 nan 8.230 nan 0.000 0.509 46 I N 0.739 121.196 120.570 -0.189 0.000 2.127 46 I HA -0.299 3.876 4.170 0.007 0.000 0.241 46 I C 2.713 178.654 176.117 -0.293 0.000 1.075 46 I CA 1.708 62.842 61.300 -0.277 0.000 1.334 46 I CB -0.584 37.175 38.000 -0.402 0.000 1.040 46 I HN 0.461 nan 8.210 nan 0.000 0.405 47 Q N 0.465 120.090 119.800 -0.291 0.000 2.050 47 Q HA -0.199 4.146 4.340 0.007 0.000 0.202 47 Q C 2.467 178.464 176.000 -0.005 0.000 0.980 47 Q CA 1.802 57.549 55.803 -0.095 0.000 0.840 47 Q CB -0.322 28.408 28.738 -0.013 0.000 0.898 47 Q HN 0.576 nan 8.270 nan 0.000 0.424 48 A N 1.092 123.888 122.820 -0.039 0.000 1.883 48 A HA -0.209 4.115 4.320 0.007 0.000 0.217 48 A C 2.055 179.617 177.584 -0.036 0.000 1.186 48 A CA 1.328 53.347 52.037 -0.029 0.000 0.624 48 A CB -0.761 18.213 19.000 -0.043 0.000 0.822 48 A HN 0.317 nan 8.150 nan 0.000 0.444 49 I N -0.376 120.154 120.570 -0.067 0.000 2.142 49 I HA -0.300 3.875 4.170 0.007 0.000 0.240 49 I C 2.986 179.086 176.117 -0.028 0.000 1.078 49 I CA 1.239 62.496 61.300 -0.072 0.000 1.343 49 I CB -0.527 37.405 38.000 -0.113 0.000 1.046 49 I HN 0.376 nan 8.210 nan 0.000 0.405 50 A N 0.623 123.453 122.820 0.017 0.000 2.024 50 A HA -0.091 4.233 4.320 0.007 0.000 0.220 50 A C 2.206 179.813 177.584 0.039 0.000 1.164 50 A CA 1.763 53.837 52.037 0.063 0.000 0.643 50 A CB -0.581 18.548 19.000 0.216 0.000 0.806 50 A HN 0.473 nan 8.150 nan 0.000 0.451 51 A N -1.540 121.302 122.820 0.037 0.000 2.337 51 A HA 0.342 4.667 4.320 0.007 0.000 0.227 51 A C 0.745 178.330 177.584 0.002 0.000 1.259 51 A CA 0.517 52.567 52.037 0.021 0.000 0.870 51 A CB -0.929 18.089 19.000 0.031 0.000 0.927 51 A HN 0.710 nan 8.150 nan 0.000 0.497 52 N N -1.792 116.904 118.700 -0.008 0.000 2.747 52 N HA -0.189 4.555 4.740 0.007 0.000 0.249 52 N C 1.083 176.583 175.510 -0.017 0.000 1.107 52 N CA 0.951 53.991 53.050 -0.017 0.000 0.707 52 N CB -0.364 38.115 38.487 -0.013 0.000 1.054 52 N HN 0.365 nan 8.380 nan 0.000 0.555 53 K N -0.361 120.028 120.400 -0.019 0.000 2.284 53 K HA 0.298 4.622 4.320 0.007 0.000 0.198 53 K C 0.491 177.074 176.600 -0.029 0.000 1.048 53 K CA 1.352 57.628 56.287 -0.018 0.000 0.987 53 K CB 0.346 32.837 32.500 -0.014 0.000 0.800 53 K HN 0.393 nan 8.250 nan 0.000 0.486 54 A N -0.038 122.753 122.820 -0.047 0.000 2.525 54 A HA 0.522 4.847 4.320 0.007 0.000 0.291 54 A C -0.649 176.879 177.584 -0.094 0.000 1.268 54 A CA -0.480 51.515 52.037 -0.071 0.000 0.712 54 A CB 0.817 19.759 19.000 -0.096 0.000 1.320 54 A HN 0.100 nan 8.150 nan 0.000 0.456 55 D N -1.283 119.032 120.400 -0.142 0.000 2.267 55 D HA 0.407 5.052 4.640 0.007 0.000 0.297 55 D C 0.237 176.383 176.300 -0.256 0.000 1.087 55 D CA 1.115 55.025 54.000 -0.151 0.000 0.864 55 D CB 1.197 41.939 40.800 -0.097 0.000 1.557 55 D HN 0.784 nan 8.370 nan 0.000 0.523 56 A N 0.934 123.480 122.820 -0.458 0.000 2.572 56 A HA 0.711 5.035 4.320 0.007 0.000 0.295 56 A C -1.161 175.775 177.584 -1.079 0.000 1.072 56 A CA -0.606 50.979 52.037 -0.754 0.000 0.691 56 A CB 2.032 20.434 19.000 -0.997 0.000 1.291 56 A HN 0.003 nan 8.150 nan 0.000 0.404 57 V N -1.408 118.035 119.914 -0.784 0.000 3.023 57 V HA 0.633 4.757 4.120 0.007 0.000 0.294 57 V C -0.378 175.645 176.094 -0.119 0.000 1.324 57 V CA -0.784 61.235 62.300 -0.468 0.000 0.979 57 V CB 1.117 32.787 31.823 -0.254 0.000 1.093 57 V HN 0.921 nan 8.190 nan 0.000 0.434 58 T N 4.825 119.445 114.554 0.111 0.000 2.817 58 T HA 0.775 5.129 4.350 0.007 0.000 0.293 58 T C -0.312 174.455 174.700 0.111 0.000 0.964 58 T CA -0.161 62.066 62.100 0.211 0.000 1.085 58 T CB 0.855 69.885 68.868 0.270 0.000 0.921 58 T HN 0.577 nan 8.240 nan 0.000 0.502 59 L N 1.974 123.249 121.223 0.087 0.000 2.371 59 L HA 0.495 4.839 4.340 0.007 0.000 0.262 59 L C -0.115 176.673 176.870 -0.138 0.000 1.006 59 L CA -1.219 53.600 54.840 -0.035 0.000 0.818 59 L CB 2.379 44.395 42.059 -0.071 0.000 1.354 59 L HN 0.621 nan 8.230 nan 0.000 0.415 60 D N 0.408 120.575 120.400 -0.388 0.000 2.339 60 D HA 0.222 4.866 4.640 0.007 0.000 0.245 60 D C 1.307 177.517 176.300 -0.150 0.000 1.115 60 D CA 0.393 53.946 54.000 -0.745 0.000 0.917 60 D CB 1.836 42.299 40.800 -0.562 0.000 1.192 60 D HN 0.593 nan 8.370 nan 0.000 0.428 61 G N 2.070 110.880 108.800 0.017 0.000 2.597 61 G HA2 -0.330 3.634 3.960 0.007 0.000 0.222 61 G HA3 -0.330 3.634 3.960 0.007 0.000 0.222 61 G C 1.395 176.323 174.900 0.047 0.000 1.135 61 G CA 0.981 46.086 45.100 0.008 0.000 0.759 61 G HN 0.650 nan 8.290 nan 0.000 0.595 62 G N 0.477 109.367 108.800 0.151 0.000 2.422 62 G HA2 -0.112 3.853 3.960 0.007 0.000 0.218 62 G HA3 -0.112 3.853 3.960 0.007 0.000 0.218 62 G C 1.714 176.769 174.900 0.259 0.000 1.146 62 G CA 0.775 46.050 45.100 0.292 0.000 0.769 62 G HN 0.442 nan 8.290 nan 0.000 0.547 63 L N 0.264 121.542 121.223 0.092 0.000 2.341 63 L HA 0.043 4.387 4.340 0.007 0.000 0.214 63 L C 2.871 179.778 176.870 0.063 0.000 1.115 63 L CA 0.052 54.900 54.840 0.013 0.000 0.820 63 L CB -0.393 41.533 42.059 -0.222 0.000 0.944 63 L HN 0.065 nan 8.230 nan 0.000 0.452 64 V N -0.047 119.920 119.914 0.088 0.000 2.255 64 V HA -0.368 3.757 4.120 0.007 0.000 0.247 64 V C 2.328 178.507 176.094 0.141 0.000 1.051 64 V CA 2.175 64.529 62.300 0.090 0.000 1.018 64 V CB -0.656 31.254 31.823 0.145 0.000 0.641 64 V HN 0.408 nan 8.190 nan 0.000 0.445 65 Y N 1.403 121.778 120.300 0.126 0.000 2.040 65 Y HA -0.306 4.248 4.550 0.007 0.000 0.275 65 Y C 2.658 178.653 175.900 0.160 0.000 1.171 65 Y CA 2.377 60.578 58.100 0.169 0.000 1.123 65 Y CB -0.263 38.342 38.460 0.242 0.000 0.963 65 Y HN 0.280 nan 8.280 nan 0.000 0.493 66 E N 0.186 120.510 120.200 0.206 0.000 2.153 66 E HA -0.174 4.180 4.350 0.007 0.000 0.194 66 E C 2.392 179.039 176.600 0.078 0.000 0.988 66 E CA 1.039 57.527 56.400 0.148 0.000 0.811 66 E CB -0.667 29.236 29.700 0.338 0.000 0.746 66 E HN 0.616 nan 8.360 nan 0.000 0.466 67 A N 1.028 123.869 122.820 0.035 0.000 1.969 67 A HA -0.044 4.280 4.320 0.007 0.000 0.218 67 A C 2.423 180.036 177.584 0.048 0.000 1.169 67 A CA 1.670 53.709 52.037 0.004 0.000 0.635 67 A CB -0.798 18.171 19.000 -0.051 0.000 0.810 67 A HN 0.320 nan 8.150 nan 0.000 0.445 68 G N -0.703 108.091 108.800 -0.010 0.000 2.572 68 G HA2 0.209 4.174 3.960 0.007 0.000 0.216 68 G HA3 0.209 4.174 3.960 0.007 0.000 0.216 68 G C 0.700 175.575 174.900 -0.041 0.000 1.133 68 G CA -0.189 44.895 45.100 -0.027 0.000 0.791 68 G HN 0.419 nan 8.290 nan 0.000 0.538 69 L N 0.091 121.282 121.223 -0.053 0.000 2.516 69 L HA -0.051 4.293 4.340 0.007 0.000 0.288 69 L C 2.147 179.011 176.870 -0.009 0.000 1.246 69 L CA -0.410 54.410 54.840 -0.033 0.000 0.844 69 L CB 0.274 42.335 42.059 0.004 0.000 1.106 69 L HN 0.253 nan 8.230 nan 0.000 0.509 70 H N 3.807 122.846 119.070 -0.051 0.000 2.266 70 H HA -0.187 4.373 4.556 0.008 0.000 0.286 70 H C -0.746 174.492 175.328 -0.149 0.000 1.102 70 H CA 2.927 58.929 56.048 -0.077 0.000 1.182 70 H CB -1.166 28.555 29.762 -0.067 0.000 1.345 70 H HN 0.538 nan 8.280 nan 0.000 0.485 71 P HA -0.188 nan 4.420 nan 0.000 0.217 71 P C 0.985 177.845 177.300 -0.734 0.000 1.148 71 P CA 1.757 64.453 63.100 -0.673 0.000 0.828 71 P CB -0.423 30.875 31.700 -0.669 0.000 0.783 72 Y N -0.708 119.495 120.300 -0.161 0.000 2.343 72 Y HA 0.189 4.744 4.550 0.009 0.000 0.294 72 Y C 1.212 177.030 175.900 -0.136 0.000 1.122 72 Y CA -0.097 57.932 58.100 -0.118 0.000 1.173 72 Y CB -0.717 37.704 38.460 -0.066 0.000 1.077 72 Y HN -0.255 nan 8.280 nan 0.000 0.542 73 K N 1.366 121.753 120.400 -0.023 0.000 3.689 73 K HA -0.176 4.148 4.320 0.007 0.000 0.276 73 K C -0.852 175.737 176.600 -0.018 0.000 0.932 73 K CA 0.452 56.708 56.287 -0.053 0.000 0.758 73 K CB -1.739 30.689 32.500 -0.120 0.000 1.500 73 K HN 0.363 nan 8.250 nan 0.000 0.448 74 L N 0.760 121.984 121.223 0.003 0.000 2.387 74 L HA 0.546 4.890 4.340 0.007 0.000 0.266 74 L C 0.861 177.708 176.870 -0.037 0.000 1.059 74 L CA -0.927 53.899 54.840 -0.023 0.000 0.801 74 L CB 1.415 43.454 42.059 -0.032 0.000 1.223 74 L HN 0.350 nan 8.230 nan 0.000 0.456 75 R N 1.075 121.540 120.500 -0.058 0.000 2.725 75 R HA 0.529 4.873 4.340 0.007 0.000 0.277 75 R C -2.944 173.288 176.300 -0.114 0.000 0.987 75 R CA -1.748 54.309 56.100 -0.071 0.000 0.901 75 R CB 1.803 32.066 30.300 -0.061 0.000 1.207 75 R HN 0.207 nan 8.270 nan 0.000 0.463 76 P HA 0.018 nan 4.420 nan 0.000 0.275 76 P C 0.227 177.384 177.300 -0.238 0.000 1.276 76 P CA -0.325 62.609 63.100 -0.276 0.000 0.782 76 P CB 1.464 32.801 31.700 -0.605 0.000 0.851 77 V N 3.463 123.285 119.914 -0.154 0.000 2.331 77 V HA 0.099 4.223 4.120 0.007 0.000 0.242 77 V C 1.255 177.280 176.094 -0.115 0.000 1.034 77 V CA 1.869 64.098 62.300 -0.118 0.000 1.027 77 V CB -0.693 31.109 31.823 -0.035 0.000 0.667 77 V HN 0.680 nan 8.190 nan 0.000 0.457 78 A N -0.479 122.333 122.820 -0.013 0.000 2.393 78 A HA 0.852 5.177 4.320 0.007 0.000 0.306 78 A C -0.578 177.125 177.584 0.198 0.000 1.050 78 A CA -0.018 52.079 52.037 0.100 0.000 0.724 78 A CB 1.495 20.655 19.000 0.267 0.000 1.248 78 A HN 0.484 nan 8.150 nan 0.000 0.424 79 A N 1.983 124.959 122.820 0.261 0.000 2.276 79 A HA 0.633 4.958 4.320 0.007 0.000 0.316 79 A C -0.001 177.782 177.584 0.332 0.000 1.229 79 A CA -0.466 51.775 52.037 0.339 0.000 0.851 79 A CB 0.168 19.458 19.000 0.482 0.000 1.165 79 A HN 0.834 nan 8.150 nan 0.000 0.513 80 E N 0.709 121.039 120.200 0.217 0.000 2.404 80 E HA 0.347 4.702 4.350 0.007 0.000 0.261 80 E C -0.637 175.660 176.600 -0.504 0.000 1.074 80 E CA -0.095 56.201 56.400 -0.174 0.000 0.917 80 E CB 1.016 30.558 29.700 -0.263 0.000 0.965 80 E HN 0.399 nan 8.360 nan 0.000 0.433 81 V N 2.967 122.517 119.914 -0.606 0.000 2.581 81 V HA 0.347 4.471 4.120 0.007 0.000 0.303 81 V C -0.910 174.823 176.094 -0.601 0.000 1.041 81 V CA -0.614 61.380 62.300 -0.510 0.000 0.907 81 V CB 0.647 32.308 31.823 -0.270 0.000 0.994 81 V HN 0.528 nan 8.190 nan 0.000 0.442 82 Y N 0.989 121.179 120.300 -0.184 0.000 2.693 82 Y HA 0.362 4.916 4.550 0.007 0.000 0.331 82 Y C 1.237 177.022 175.900 -0.193 0.000 1.092 82 Y CA -1.132 56.830 58.100 -0.230 0.000 1.131 82 Y CB 0.807 39.125 38.460 -0.237 0.000 1.318 82 Y HN 0.695 nan 8.280 nan 0.000 0.510 83 Q N 0.270 120.067 119.800 -0.005 0.000 1.928 83 Q HA -0.281 4.064 4.340 0.007 0.000 0.223 83 Q C 0.727 176.692 176.000 -0.059 0.000 1.042 83 Q CA 3.382 59.131 55.803 -0.091 0.000 0.892 83 Q CB -1.452 27.177 28.738 -0.183 0.000 1.001 83 Q HN 0.889 nan 8.270 nan 0.000 0.419 84 T N -1.988 112.542 114.554 -0.038 0.000 8.285 84 T HA -0.409 3.946 4.350 0.007 0.000 0.317 84 T C 0.868 175.597 174.700 0.049 0.000 2.029 84 T CA 1.786 63.906 62.100 0.032 0.000 3.092 84 T CB -1.731 67.159 68.868 0.035 0.000 2.254 84 T HN 0.766 nan 8.240 nan 0.000 1.172 85 R N 0.872 121.360 120.500 -0.019 0.000 3.997 85 R HA -0.274 4.070 4.340 0.007 0.000 0.431 85 R C 0.927 177.218 176.300 -0.015 0.000 1.066 85 R CA 2.350 58.435 56.100 -0.024 0.000 1.382 85 R CB -1.715 28.606 30.300 0.035 0.000 1.978 85 R HN 1.105 nan 8.270 nan 0.000 0.550 86 G N -0.190 108.608 108.800 -0.004 0.000 3.226 86 G HA2 0.327 4.292 3.960 0.007 0.000 0.175 86 G HA3 0.327 4.292 3.960 0.007 0.000 0.175 86 G C -1.132 173.760 174.900 -0.013 0.000 1.509 86 G CA -0.293 44.803 45.100 -0.007 0.000 1.046 86 G HN 0.116 nan 8.290 nan 0.000 0.768 87 K N 2.048 122.444 120.400 -0.006 0.000 2.201 87 K HA 0.554 4.878 4.320 0.007 0.000 0.278 87 K C -2.647 173.941 176.600 -0.019 0.000 1.027 87 K CA -1.879 54.399 56.287 -0.015 0.000 0.909 87 K CB 1.547 34.040 32.500 -0.012 0.000 1.062 87 K HN 0.095 nan 8.250 nan 0.000 0.465 88 P HA -0.039 nan 4.420 nan 0.000 0.267 88 P C -0.861 176.413 177.300 -0.043 0.000 1.201 88 P CA -0.042 63.030 63.100 -0.048 0.000 0.775 88 P CB 0.546 32.206 31.700 -0.067 0.000 0.854 89 Q N -0.220 119.555 119.800 -0.041 0.000 2.501 89 Q HA 0.362 4.706 4.340 0.007 0.000 0.288 89 Q C -0.064 175.895 176.000 -0.068 0.000 1.051 89 Q CA -0.588 55.189 55.803 -0.044 0.000 0.788 89 Q CB 1.887 30.616 28.738 -0.016 0.000 1.469 89 Q HN 0.405 nan 8.270 nan 0.000 0.416 90 T N -1.850 112.659 114.554 -0.075 0.000 3.186 90 T HA 0.358 4.713 4.350 0.007 0.000 0.257 90 T C 0.236 174.946 174.700 0.016 0.000 1.029 90 T CA -0.251 61.813 62.100 -0.060 0.000 0.916 90 T CB 0.122 68.956 68.868 -0.057 0.000 1.041 90 T HN 0.221 nan 8.240 nan 0.000 0.562 91 R N 0.688 121.214 120.500 0.044 0.000 2.836 91 R HA 0.650 4.995 4.340 0.007 0.000 0.269 91 R C -1.572 174.805 176.300 0.128 0.000 1.010 91 R CA -0.878 55.230 56.100 0.012 0.000 0.930 91 R CB 1.865 32.063 30.300 -0.170 0.000 1.218 91 R HN 0.446 nan 8.270 nan 0.000 0.473 92 Y N -1.798 118.414 120.300 -0.147 0.000 2.670 92 Y HA 0.550 5.106 4.550 0.010 0.000 0.334 92 Y C -1.722 174.014 175.900 -0.274 0.000 1.185 92 Y CA -1.459 56.509 58.100 -0.221 0.000 1.053 92 Y CB 0.823 39.192 38.460 -0.151 0.000 1.298 92 Y HN 0.397 nan 8.280 nan 0.000 0.459 93 Y N 1.507 121.855 120.300 0.081 0.000 2.330 93 Y HA 0.728 5.282 4.550 0.006 0.000 0.336 93 Y C 0.337 176.319 175.900 0.136 0.000 1.036 93 Y CA -0.662 57.447 58.100 0.015 0.000 1.125 93 Y CB 1.788 40.258 38.460 0.017 0.000 1.194 93 Y HN 0.913 nan 8.280 nan 0.000 0.469 94 A N 3.421 126.419 122.820 0.297 0.000 2.331 94 A HA 0.731 5.056 4.320 0.007 0.000 0.283 94 A C -0.428 177.354 177.584 0.330 0.000 1.142 94 A CA -0.386 51.833 52.037 0.303 0.000 0.812 94 A CB 0.100 19.242 19.000 0.236 0.000 1.074 94 A HN 0.758 nan 8.150 nan 0.000 0.497 95 V N -1.463 118.633 119.914 0.304 0.000 3.160 95 V HA 0.962 5.086 4.120 0.007 0.000 0.310 95 V C -0.158 176.100 176.094 0.272 0.000 1.181 95 V CA -0.523 61.944 62.300 0.279 0.000 1.047 95 V CB 1.553 33.527 31.823 0.250 0.000 1.068 95 V HN 1.733 nan 8.190 nan 0.000 0.441 96 A N 1.566 124.518 122.820 0.221 0.000 2.291 96 A HA 0.832 5.156 4.320 0.007 0.000 0.311 96 A C -0.717 176.889 177.584 0.036 0.000 1.224 96 A CA -0.598 51.521 52.037 0.137 0.000 0.821 96 A CB 1.149 20.274 19.000 0.209 0.000 1.172 96 A HN 1.301 nan 8.150 nan 0.000 0.494 97 V N 3.654 123.554 119.914 -0.024 0.000 2.435 97 V HA 0.640 4.764 4.120 0.007 0.000 0.290 97 V C 0.215 176.293 176.094 -0.026 0.000 1.030 97 V CA -0.327 61.983 62.300 0.018 0.000 0.881 97 V CB 1.146 33.019 31.823 0.084 0.000 0.983 97 V HN 1.023 nan 8.190 nan 0.000 0.445 98 V N 2.028 121.941 119.914 -0.001 0.000 3.160 98 V HA 0.695 4.820 4.120 0.007 0.000 0.310 98 V C -0.556 175.512 176.094 -0.043 0.000 1.181 98 V CA -1.323 60.945 62.300 -0.055 0.000 1.047 98 V CB 2.012 33.698 31.823 -0.228 0.000 1.068 98 V HN 0.694 nan 8.190 nan 0.000 0.441 99 K N 0.833 121.141 120.400 -0.154 0.000 2.098 99 K HA 0.463 4.787 4.320 0.007 0.000 0.257 99 K C -0.214 176.230 176.600 -0.261 0.000 0.999 99 K CA -0.581 55.501 56.287 -0.341 0.000 0.924 99 K CB 0.849 33.144 32.500 -0.342 0.000 1.028 99 K HN 0.652 nan 8.250 nan 0.000 0.466 100 K N 0.355 120.592 120.400 -0.272 0.000 2.270 100 K HA 0.131 4.455 4.320 0.007 0.000 0.276 100 K C 0.513 177.021 176.600 -0.153 0.000 1.023 100 K CA 0.507 56.684 56.287 -0.183 0.000 0.955 100 K CB 0.854 33.263 32.500 -0.151 0.000 0.975 100 K HN 0.863 nan 8.250 nan 0.000 0.471 101 G N 1.241 109.966 108.800 -0.124 0.000 2.149 101 G HA2 -0.265 3.699 3.960 0.007 0.000 0.235 101 G HA3 -0.265 3.699 3.960 0.007 0.000 0.235 101 G C 0.524 175.382 174.900 -0.070 0.000 1.018 101 G CA 0.531 45.578 45.100 -0.089 0.000 0.728 101 G HN 0.639 nan 8.290 nan 0.000 0.508 102 S N -1.794 113.848 115.700 -0.096 0.000 2.497 102 S HA 0.459 4.933 4.470 0.007 0.000 0.218 102 S C 2.428 177.051 174.600 0.038 0.000 1.023 102 S CA 1.440 59.631 58.200 -0.014 0.000 0.913 102 S CB 0.543 63.712 63.200 -0.053 0.000 0.800 102 S HN 2.322 nan 8.310 nan 0.000 0.505 103 G N 2.190 110.937 108.800 -0.089 0.000 2.900 103 G HA2 -0.324 3.641 3.960 0.007 0.000 0.223 103 G HA3 -0.324 3.641 3.960 0.007 0.000 0.223 103 G C 0.142 175.027 174.900 -0.026 0.000 1.293 103 G CA 0.171 45.252 45.100 -0.032 0.000 0.792 103 G HN 0.968 nan 8.290 nan 0.000 0.527 104 F N 2.135 122.064 119.950 -0.035 0.000 2.586 104 F HA 0.699 5.229 4.527 0.006 0.000 0.344 104 F C 0.561 176.346 175.800 -0.025 0.000 1.188 104 F CA -0.527 57.453 58.000 -0.032 0.000 1.359 104 F CB 0.287 39.266 39.000 -0.035 0.000 1.129 104 F HN 0.340 nan 8.300 nan 0.000 0.609 105 Q N 1.410 121.283 119.800 0.122 0.000 2.699 105 Q HA 0.319 4.663 4.340 0.007 0.000 0.240 105 Q C 1.035 177.107 176.000 0.120 0.000 1.033 105 Q CA -0.822 54.998 55.803 0.029 0.000 0.938 105 Q CB 0.914 29.664 28.738 0.021 0.000 1.312 105 Q HN 0.851 nan 8.270 nan 0.000 0.507 106 L N 1.941 123.206 121.223 0.071 0.000 2.083 106 L HA -0.162 4.182 4.340 0.007 0.000 0.209 106 L C 1.307 178.168 176.870 -0.015 0.000 1.083 106 L CA 2.026 56.920 54.840 0.091 0.000 0.752 106 L CB -0.554 41.553 42.059 0.079 0.000 0.899 106 L HN 0.670 nan 8.230 nan 0.000 0.433 107 N N -0.881 117.777 118.700 -0.070 0.000 2.449 107 N HA -0.112 4.632 4.740 0.007 0.000 0.191 107 N C 0.711 176.096 175.510 -0.209 0.000 1.161 107 N CA 0.478 53.364 53.050 -0.274 0.000 0.863 107 N CB -0.255 38.201 38.487 -0.052 0.000 0.980 107 N HN 0.599 nan 8.380 nan 0.000 0.458 108 Q N -0.042 119.726 119.800 -0.054 0.000 2.135 108 Q HA 0.346 4.691 4.340 0.007 0.000 0.231 108 Q C 0.997 176.948 176.000 -0.082 0.000 0.817 108 Q CA -0.201 55.583 55.803 -0.032 0.000 1.073 108 Q CB 0.625 29.403 28.738 0.066 0.000 1.176 108 Q HN 0.228 nan 8.270 nan 0.000 0.478 109 L N 0.323 121.509 121.223 -0.062 0.000 2.362 109 L HA -0.071 4.274 4.340 0.007 0.000 0.219 109 L C 1.166 177.771 176.870 -0.441 0.000 1.134 109 L CA 0.515 55.295 54.840 -0.101 0.000 0.807 109 L CB -0.511 41.725 42.059 0.296 0.000 0.927 109 L HN 0.384 nan 8.230 nan 0.000 0.447 110 Q N 1.577 120.925 119.800 -0.754 0.000 2.339 110 Q HA 0.111 4.455 4.340 0.007 0.000 0.308 110 Q C 1.020 176.663 176.000 -0.594 0.000 1.097 110 Q CA 1.277 56.396 55.803 -1.140 0.000 1.007 110 Q CB 0.174 28.463 28.738 -0.748 0.000 1.051 110 Q HN 0.391 nan 8.270 nan 0.000 0.381 111 G N 2.150 110.644 108.800 -0.510 0.000 2.175 111 G HA2 -0.227 3.737 3.960 0.007 0.000 0.244 111 G HA3 -0.227 3.737 3.960 0.007 0.000 0.244 111 G C -0.033 174.760 174.900 -0.179 0.000 0.982 111 G CA -0.098 44.848 45.100 -0.256 0.000 0.641 111 G HN 0.684 nan 8.290 nan 0.000 0.527 112 V N 1.282 121.088 119.914 -0.180 0.000 2.953 112 V HA 0.397 4.522 4.120 0.007 0.000 0.304 112 V C 0.867 176.963 176.094 0.003 0.000 1.073 112 V CA -0.253 61.926 62.300 -0.201 0.000 1.064 112 V CB 1.516 33.087 31.823 -0.420 0.000 1.047 112 V HN 0.280 nan 8.190 nan 0.000 0.478 113 K N 2.565 122.917 120.400 -0.079 0.000 2.201 113 K HA 0.522 4.846 4.320 0.007 0.000 0.278 113 K C -0.292 176.222 176.600 -0.143 0.000 1.027 113 K CA -0.104 56.152 56.287 -0.052 0.000 0.909 113 K CB 1.399 33.865 32.500 -0.057 0.000 1.062 113 K HN 0.836 nan 8.250 nan 0.000 0.465 114 S N 0.701 116.271 115.700 -0.217 0.000 2.536 114 S HA 0.459 4.934 4.470 0.007 0.000 0.287 114 S C -0.512 174.001 174.600 -0.145 0.000 1.101 114 S CA -0.950 57.044 58.200 -0.345 0.000 0.950 114 S CB 0.956 63.672 63.200 -0.806 0.000 1.056 114 S HN 0.602 nan 8.310 nan 0.000 0.481 115 c N 3.740 122.217 118.600 -0.204 0.000 2.303 115 c HA 0.647 5.222 4.570 0.007 0.000 0.326 115 c C 0.056 174.136 174.090 -0.016 0.000 1.285 115 c CA -0.543 55.737 56.329 -0.083 0.000 1.675 115 c CB -0.704 41.682 42.510 -0.207 0.000 2.289 115 c HN 0.887 nan 8.230 nan 0.000 0.512 116 H N 1.118 120.238 119.070 0.083 0.000 2.524 116 H HA 0.225 4.784 4.556 0.006 0.000 0.353 116 H C 0.999 176.387 175.328 0.100 0.000 1.136 116 H CA -0.004 56.156 56.048 0.187 0.000 1.193 116 H CB 2.180 32.106 29.762 0.273 0.000 1.558 116 H HN 0.761 nan 8.280 nan 0.000 0.515 117 T N 0.375 115.017 114.554 0.146 0.000 2.788 117 T HA 0.074 4.429 4.350 0.007 0.000 0.268 117 T C 0.990 175.593 174.700 -0.162 0.000 1.044 117 T CA 0.813 62.851 62.100 -0.105 0.000 1.139 117 T CB 0.144 68.855 68.868 -0.261 0.000 0.867 117 T HN 0.801 nan 8.240 nan 0.000 0.454 118 G N 0.124 108.956 108.800 0.053 0.000 2.340 118 G HA2 0.409 4.374 3.960 0.007 0.000 0.298 118 G HA3 0.409 4.374 3.960 0.007 0.000 0.298 118 G C -1.768 173.186 174.900 0.090 0.000 1.498 118 G CA -0.813 44.339 45.100 0.088 0.000 0.847 118 G HN 0.454 nan 8.290 nan 0.000 0.594 119 L N 1.386 122.604 121.223 -0.008 0.000 2.462 119 L HA 0.482 4.826 4.340 0.007 0.000 0.272 119 L C 1.592 178.397 176.870 -0.109 0.000 1.166 119 L CA 2.514 57.159 54.840 -0.325 0.000 0.880 119 L CB 0.781 42.608 42.059 -0.387 0.000 1.142 119 L HN 2.287 nan 8.230 nan 0.000 0.473 120 G N 3.245 111.891 108.800 -0.256 0.000 2.217 120 G HA2 -0.258 3.706 3.960 0.007 0.000 0.246 120 G HA3 -0.258 3.706 3.960 0.007 0.000 0.246 120 G C 0.584 175.625 174.900 0.234 0.000 0.990 120 G CA 0.200 45.368 45.100 0.113 0.000 0.627 120 G HN 0.613 nan 8.290 nan 0.000 0.522 121 R N 1.004 121.632 120.500 0.214 0.000 2.582 121 R HA 0.576 4.921 4.340 0.007 0.000 0.271 121 R C 1.669 178.141 176.300 0.286 0.000 1.078 121 R CA 0.137 56.352 56.100 0.192 0.000 1.127 121 R CB 0.713 31.057 30.300 0.074 0.000 1.038 121 R HN 0.177 nan 8.270 nan 0.000 0.500 122 S N 1.788 117.675 115.700 0.310 0.000 2.392 122 S HA -0.303 4.172 4.470 0.007 0.000 0.225 122 S C 1.927 176.695 174.600 0.280 0.000 1.041 122 S CA 1.935 60.350 58.200 0.359 0.000 1.100 122 S CB -0.333 63.099 63.200 0.388 0.000 1.029 122 S HN 0.804 nan 8.310 nan 0.000 0.424 123 A N 0.848 123.868 122.820 0.333 0.000 1.970 123 A HA 0.246 4.570 4.320 0.007 0.000 0.216 123 A C 2.221 179.953 177.584 0.248 0.000 1.170 123 A CA 1.429 53.652 52.037 0.309 0.000 0.645 123 A CB -0.985 18.291 19.000 0.459 0.000 0.816 123 A HN 0.547 nan 8.150 nan 0.000 0.447 124 G N -2.905 106.045 108.800 0.250 0.000 2.683 124 G HA2 0.077 4.041 3.960 0.007 0.000 0.213 124 G HA3 0.077 4.041 3.960 0.007 0.000 0.213 124 G C 1.084 176.219 174.900 0.391 0.000 1.142 124 G CA 0.827 46.088 45.100 0.268 0.000 0.793 124 G HN 0.602 nan 8.290 nan 0.000 0.534 125 W N -0.230 121.128 121.300 0.095 0.000 4.757 125 W HA 0.058 4.722 4.660 0.007 0.000 0.172 125 W C 1.331 177.834 176.519 -0.027 0.000 3.206 125 W CA 0.214 57.603 57.345 0.074 0.000 1.735 125 W CB -0.522 28.996 29.460 0.096 0.000 1.720 125 W HN 0.072 nan 8.180 nan 0.000 0.705 126 N N 1.703 120.521 118.700 0.198 0.000 2.096 126 N HA -0.233 4.511 4.740 0.007 0.000 0.195 126 N C 1.514 176.913 175.510 -0.185 0.000 1.017 126 N CA 2.731 55.775 53.050 -0.010 0.000 0.870 126 N CB -0.726 37.785 38.487 0.040 0.000 1.024 126 N HN 0.129 nan 8.380 nan 0.000 0.434 127 I N 0.820 121.319 120.570 -0.119 0.000 2.235 127 I HA -0.085 4.089 4.170 0.007 0.000 0.241 127 I C -0.734 175.256 176.117 -0.212 0.000 1.085 127 I CA 1.034 62.253 61.300 -0.134 0.000 1.378 127 I CB -2.197 35.794 38.000 -0.016 0.000 1.076 127 I HN 0.100 nan 8.210 nan 0.000 0.415 128 P HA -0.136 nan 4.420 nan 0.000 0.215 128 P C 1.946 178.976 177.300 -0.451 0.000 1.157 128 P CA 1.458 64.242 63.100 -0.527 0.000 0.863 128 P CB -0.027 30.877 31.700 -1.326 0.000 0.787 129 I N 0.406 120.639 120.570 -0.562 0.000 2.264 129 I HA -0.125 4.049 4.170 0.007 0.000 0.248 129 I C 2.681 178.542 176.117 -0.427 0.000 1.111 129 I CA 1.867 62.804 61.300 -0.605 0.000 1.382 129 I CB -2.286 35.100 38.000 -1.022 0.000 1.060 129 I HN 0.036 nan 8.210 nan 0.000 0.418 130 G N -0.059 108.538 108.800 -0.338 0.000 2.484 130 G HA2 -0.156 3.808 3.960 0.007 0.000 0.218 130 G HA3 -0.156 3.808 3.960 0.007 0.000 0.218 130 G C 1.602 176.408 174.900 -0.156 0.000 1.130 130 G CA 1.046 46.013 45.100 -0.222 0.000 0.784 130 G HN 0.373 nan 8.290 nan 0.000 0.543 131 T N 1.096 115.562 114.554 -0.147 0.000 2.942 131 T HA 0.080 4.435 4.350 0.007 0.000 0.265 131 T C 1.976 176.685 174.700 0.015 0.000 1.062 131 T CA 0.415 62.482 62.100 -0.054 0.000 1.139 131 T CB -0.029 68.821 68.868 -0.030 0.000 0.883 131 T HN 0.193 nan 8.240 nan 0.000 0.468 132 L N 0.473 121.658 121.223 -0.063 0.000 2.628 132 L HA 0.356 4.701 4.340 0.007 0.000 0.229 132 L C 2.433 179.210 176.870 -0.154 0.000 1.137 132 L CA -0.153 54.688 54.840 0.000 0.000 0.909 132 L CB -0.316 41.602 42.059 -0.236 0.000 1.137 132 L HN 0.067 nan 8.230 nan 0.000 0.470 133 R N 1.714 122.109 120.500 -0.176 0.000 2.091 133 R HA -0.148 4.197 4.340 0.007 0.000 0.238 133 R C -0.543 175.676 176.300 -0.134 0.000 1.136 133 R CA 1.619 57.624 56.100 -0.159 0.000 0.959 133 R CB -0.935 29.327 30.300 -0.063 0.000 0.856 133 R HN 0.232 nan 8.270 nan 0.000 0.437 134 P HA -0.124 nan 4.420 nan 0.000 0.226 134 P C -0.143 176.888 177.300 -0.448 0.000 1.146 134 P CA 1.291 64.181 63.100 -0.351 0.000 0.773 134 P CB -0.015 31.380 31.700 -0.510 0.000 0.772 135 Y N -3.004 117.224 120.300 -0.121 0.000 2.500 135 Y HA 0.245 4.800 4.550 0.008 0.000 0.246 135 Y C 1.819 177.636 175.900 -0.139 0.000 1.146 135 Y CA -0.198 57.874 58.100 -0.046 0.000 1.230 135 Y CB -0.406 38.099 38.460 0.075 0.000 1.214 135 Y HN -0.166 nan 8.280 nan 0.000 0.526 136 L N -0.010 121.106 121.223 -0.178 0.000 2.179 136 L HA -0.068 4.276 4.340 0.007 0.000 0.208 136 L C 0.050 176.932 176.870 0.020 0.000 1.096 136 L CA 0.906 55.605 54.840 -0.234 0.000 0.779 136 L CB -0.510 41.368 42.059 -0.302 0.000 0.922 136 L HN 0.312 nan 8.230 nan 0.000 0.443 137 N N -0.910 117.827 118.700 0.062 0.000 2.648 137 N HA -0.240 4.504 4.740 0.007 0.000 0.265 137 N C -0.990 174.617 175.510 0.161 0.000 1.100 137 N CA 0.221 53.325 53.050 0.090 0.000 0.715 137 N CB -0.784 37.753 38.487 0.084 0.000 0.881 137 N HN 0.411 nan 8.380 nan 0.000 0.548 138 W N 1.451 122.712 121.300 -0.065 0.000 2.538 138 W HA 0.452 5.118 4.660 0.009 0.000 0.322 138 W C 1.042 177.532 176.519 -0.049 0.000 1.028 138 W CA -0.732 56.577 57.345 -0.060 0.000 1.228 138 W CB 0.771 30.179 29.460 -0.087 0.000 1.356 138 W HN 0.071 nan 8.180 nan 0.000 0.452 139 T N 3.713 118.105 114.554 -0.271 0.000 2.685 139 T HA 0.144 4.498 4.350 0.007 0.000 0.268 139 T C 0.814 175.083 174.700 -0.719 0.000 1.034 139 T CA 2.440 64.307 62.100 -0.390 0.000 1.149 139 T CB -0.725 67.991 68.868 -0.253 0.000 0.860 139 T HN 1.017 nan 8.240 nan 0.000 0.449 140 G N 0.000 107.856 108.800 -1.573 0.000 2.331 140 G HA2 0.017 3.982 3.960 0.007 0.000 0.402 140 G HA3 0.017 3.982 3.960 0.007 0.000 0.402 140 G C -2.341 171.829 174.900 -1.216 0.000 1.275 140 G CA -0.369 43.722 45.100 -1.682 0.000 1.003 140 G HN -0.062 nan 8.290 nan 0.000 0.500 141 P HA -0.201 nan 4.420 nan 0.000 0.225 141 P C -1.026 176.277 177.300 0.005 0.000 1.154 141 P CA 3.130 66.188 63.100 -0.072 0.000 0.933 141 P CB -1.108 30.568 31.700 -0.040 0.000 0.790 142 P HA -0.157 nan 4.420 nan 0.000 0.217 142 P C 0.842 178.177 177.300 0.058 0.000 1.162 142 P CA 1.302 64.397 63.100 -0.008 0.000 0.901 142 P CB -0.434 31.237 31.700 -0.048 0.000 0.793 143 E N 0.303 120.540 120.200 0.061 0.000 2.223 143 E HA 0.132 4.487 4.350 0.007 0.000 0.282 143 E C -2.266 174.568 176.600 0.390 0.000 1.046 143 E CA -2.605 53.905 56.400 0.183 0.000 0.857 143 E CB 0.274 30.068 29.700 0.158 0.000 1.055 143 E HN 0.023 nan 8.360 nan 0.000 0.409 144 P HA -0.110 nan 4.420 nan 0.000 0.261 144 P C 0.447 177.813 177.300 0.110 0.000 1.183 144 P CA -0.007 63.218 63.100 0.208 0.000 0.761 144 P CB 0.508 32.300 31.700 0.153 0.000 0.785 145 L N 4.701 125.938 121.223 0.023 0.000 2.079 145 L HA -0.233 4.112 4.340 0.007 0.000 0.210 145 L C 2.025 178.709 176.870 -0.310 0.000 1.081 145 L CA 1.955 56.537 54.840 -0.431 0.000 0.752 145 L CB -0.964 40.870 42.059 -0.375 0.000 0.896 145 L HN 0.395 nan 8.230 nan 0.000 0.433 146 Q N -0.807 118.853 119.800 -0.234 0.000 2.226 146 Q HA -0.232 4.112 4.340 0.007 0.000 0.204 146 Q C 2.116 177.708 176.000 -0.681 0.000 0.975 146 Q CA 1.533 57.100 55.803 -0.394 0.000 0.866 146 Q CB -0.080 28.335 28.738 -0.539 0.000 0.915 146 Q HN 0.557 nan 8.270 nan 0.000 0.440 147 K N -0.053 119.959 120.400 -0.646 0.000 2.155 147 K HA -0.071 4.254 4.320 0.007 0.000 0.203 147 K C 2.007 178.512 176.600 -0.158 0.000 1.052 147 K CA 0.908 56.979 56.287 -0.360 0.000 0.948 147 K CB -0.010 32.448 32.500 -0.071 0.000 0.728 147 K HN 0.119 nan 8.250 nan 0.000 0.448 148 A N 1.010 123.709 122.820 -0.202 0.000 1.840 148 A HA -0.102 4.222 4.320 0.007 0.000 0.214 148 A C 2.341 179.824 177.584 -0.169 0.000 1.198 148 A CA 1.245 53.167 52.037 -0.191 0.000 0.608 148 A CB -0.713 18.016 19.000 -0.451 0.000 0.839 148 A HN 0.039 nan 8.150 nan 0.000 0.443 149 V N 0.225 120.014 119.914 -0.209 0.000 2.332 149 V HA -0.275 3.849 4.120 0.007 0.000 0.248 149 V C 3.029 179.176 176.094 0.088 0.000 1.055 149 V CA 1.971 64.225 62.300 -0.078 0.000 1.038 149 V CB -1.343 30.491 31.823 0.018 0.000 0.651 149 V HN 0.612 nan 8.190 nan 0.000 0.450 150 A N 0.195 123.043 122.820 0.046 0.000 1.978 150 A HA -0.219 4.105 4.320 0.007 0.000 0.220 150 A C 2.046 179.695 177.584 0.108 0.000 1.170 150 A CA 1.975 54.075 52.037 0.106 0.000 0.636 150 A CB -0.538 18.508 19.000 0.077 0.000 0.810 150 A HN 0.609 nan 8.150 nan 0.000 0.448 151 N N -1.826 116.916 118.700 0.070 0.000 2.376 151 N HA 0.006 4.751 4.740 0.007 0.000 0.177 151 N C 1.292 176.843 175.510 0.068 0.000 1.024 151 N CA 0.766 53.858 53.050 0.070 0.000 0.893 151 N CB -0.271 38.254 38.487 0.064 0.000 0.980 151 N HN 0.531 nan 8.380 nan 0.000 0.439 152 F N 0.646 120.503 119.950 -0.155 0.000 2.149 152 F HA 0.151 4.681 4.527 0.006 0.000 0.294 152 F C 0.180 175.782 175.800 -0.330 0.000 1.095 152 F CA 0.518 58.333 58.000 -0.308 0.000 1.276 152 F CB 0.031 38.713 39.000 -0.529 0.000 1.023 152 F HN -0.252 nan 8.300 nan 0.000 0.480 153 F N 0.671 120.707 119.950 0.143 0.000 2.394 153 F HA 0.212 4.745 4.527 0.010 0.000 0.340 153 F C 1.709 177.516 175.800 0.011 0.000 1.105 153 F CA -0.636 57.393 58.000 0.048 0.000 1.124 153 F CB 0.939 40.034 39.000 0.157 0.000 1.145 153 F HN -0.100 nan 8.300 nan 0.000 0.505 154 S N 1.472 117.269 115.700 0.162 0.000 2.442 154 S HA 0.318 4.793 4.470 0.007 0.000 0.236 154 S C 0.571 175.230 174.600 0.099 0.000 1.007 154 S CA 0.487 58.734 58.200 0.078 0.000 0.965 154 S CB -0.291 62.919 63.200 0.015 0.000 0.773 154 S HN 0.941 nan 8.310 nan 0.000 0.504 155 A N -0.719 122.182 122.820 0.135 0.000 2.592 155 A HA 0.638 4.962 4.320 0.007 0.000 0.300 155 A C -0.573 177.071 177.584 0.100 0.000 0.994 155 A CA -0.538 51.565 52.037 0.110 0.000 0.707 155 A CB 0.374 19.415 19.000 0.069 0.000 1.273 155 A HN 0.250 nan 8.150 nan 0.000 0.413 156 S N -1.036 114.725 115.700 0.101 0.000 2.688 156 S HA 0.718 5.192 4.470 0.007 0.000 0.275 156 S C -1.323 173.338 174.600 0.100 0.000 1.175 156 S CA -0.135 58.113 58.200 0.079 0.000 0.818 156 S CB 1.735 64.984 63.200 0.082 0.000 1.157 156 S HN 1.876 nan 8.310 nan 0.000 0.482 157 c N 2.683 121.356 118.600 0.122 0.000 2.534 157 c HA 0.724 5.298 4.570 0.007 0.000 0.309 157 c C -1.071 173.133 174.090 0.191 0.000 1.072 157 c CA -0.138 56.286 56.329 0.159 0.000 1.441 157 c CB -1.402 41.213 42.510 0.174 0.000 1.906 157 c HN 0.564 nan 8.230 nan 0.000 0.429 158 V N 8.377 128.374 119.914 0.138 0.000 2.250 158 V HA 0.324 4.449 4.120 0.007 0.000 0.268 158 V C -2.099 174.063 176.094 0.114 0.000 1.043 158 V CA -1.296 61.071 62.300 0.112 0.000 0.814 158 V CB 0.975 32.781 31.823 -0.029 0.000 1.072 158 V HN 0.661 nan 8.190 nan 0.000 0.451 159 P HA 0.126 nan 4.420 nan 0.000 0.267 159 P C 0.668 178.065 177.300 0.162 0.000 1.201 159 P CA 0.223 63.459 63.100 0.225 0.000 0.775 159 P CB 0.320 32.288 31.700 0.448 0.000 0.854 160 c N -0.552 118.123 118.600 0.125 0.000 4.933 160 c HA -0.107 4.468 4.570 0.007 0.000 0.249 160 c C 1.081 175.162 174.090 -0.016 0.000 1.406 160 c CA 0.182 56.562 56.329 0.085 0.000 1.505 160 c CB -2.778 39.851 42.510 0.198 0.000 1.870 160 c HN 0.796 nan 8.230 nan 0.000 0.651 161 A N 0.337 123.149 122.820 -0.015 0.000 2.322 161 A HA 0.521 4.846 4.320 0.007 0.000 0.269 161 A C 0.313 177.911 177.584 0.024 0.000 1.094 161 A CA 0.356 52.374 52.037 -0.031 0.000 0.807 161 A CB 0.222 19.217 19.000 -0.008 0.000 1.047 161 A HN 0.401 nan 8.150 nan 0.000 0.487 162 D N 1.958 122.404 120.400 0.077 0.000 2.545 162 D HA 0.187 4.831 4.640 0.007 0.000 0.227 162 D C 1.495 177.804 176.300 0.015 0.000 1.150 162 D CA 0.761 54.779 54.000 0.031 0.000 1.046 162 D CB -0.092 40.713 40.800 0.008 0.000 1.098 162 D HN 0.592 nan 8.370 nan 0.000 0.502 163 G N 2.475 111.286 108.800 0.018 0.000 2.535 163 G HA2 -0.240 3.724 3.960 0.007 0.000 0.218 163 G HA3 -0.240 3.724 3.960 0.007 0.000 0.218 163 G C 1.517 176.405 174.900 -0.020 0.000 1.122 163 G CA 0.462 45.576 45.100 0.024 0.000 0.769 163 G HN 0.380 nan 8.290 nan 0.000 0.549 164 K N -0.461 119.895 120.400 -0.074 0.000 2.029 164 K HA 0.056 4.381 4.320 0.007 0.000 0.205 164 K C 2.553 179.055 176.600 -0.164 0.000 1.042 164 K CA 0.779 57.008 56.287 -0.096 0.000 0.949 164 K CB -0.118 32.325 32.500 -0.096 0.000 0.740 164 K HN 0.218 nan 8.250 nan 0.000 0.442 165 Q N -0.343 119.254 119.800 -0.338 0.000 2.187 165 Q HA -0.058 4.287 4.340 0.007 0.000 0.199 165 Q C -0.150 175.510 176.000 -0.566 0.000 0.957 165 Q CA 1.013 56.476 55.803 -0.567 0.000 0.857 165 Q CB 0.407 28.558 28.738 -0.978 0.000 0.929 165 Q HN 0.311 nan 8.270 nan 0.000 0.453 166 Y N -0.679 119.636 120.300 0.025 0.000 2.562 166 Y HA 0.256 4.810 4.550 0.006 0.000 0.363 166 Y C -1.899 174.026 175.900 0.041 0.000 0.991 166 Y CA -2.803 55.320 58.100 0.038 0.000 1.121 166 Y CB 0.445 38.930 38.460 0.043 0.000 1.159 166 Y HN 0.057 nan 8.280 nan 0.000 0.651 167 P HA -0.214 nan 4.420 nan 0.000 0.221 167 P C 1.006 178.371 177.300 0.109 0.000 1.145 167 P CA 1.559 64.712 63.100 0.088 0.000 0.795 167 P CB 0.510 32.243 31.700 0.055 0.000 0.775 168 N N -0.174 118.606 118.700 0.134 0.000 2.381 168 N HA -0.065 4.679 4.740 0.007 0.000 0.182 168 N C 1.865 177.460 175.510 0.143 0.000 1.025 168 N CA 0.430 53.558 53.050 0.130 0.000 0.888 168 N CB -0.539 38.031 38.487 0.138 0.000 0.965 168 N HN 0.070 nan 8.380 nan 0.000 0.438 169 L N -0.785 120.534 121.223 0.159 0.000 2.313 169 L HA -0.027 4.317 4.340 0.007 0.000 0.214 169 L C 1.367 178.307 176.870 0.117 0.000 1.119 169 L CA 0.393 55.319 54.840 0.145 0.000 0.809 169 L CB -0.006 42.148 42.059 0.157 0.000 0.933 169 L HN 0.425 nan 8.230 nan 0.000 0.449 170 c N -1.828 116.840 118.600 0.113 0.000 3.188 170 c HA 0.096 4.671 4.570 0.007 0.000 0.315 170 c C 2.641 176.794 174.090 0.105 0.000 1.285 170 c CA -0.536 55.856 56.329 0.104 0.000 1.729 170 c CB -0.150 42.411 42.510 0.084 0.000 2.257 170 c HN 0.429 nan 8.230 nan 0.000 0.645 171 R N 1.188 121.747 120.500 0.098 0.000 2.140 171 R HA -0.159 4.185 4.340 0.007 0.000 0.250 171 R C 1.618 177.977 176.300 0.099 0.000 1.150 171 R CA 1.631 57.784 56.100 0.089 0.000 0.966 171 R CB -0.244 30.105 30.300 0.082 0.000 0.869 171 R HN 0.495 nan 8.270 nan 0.000 0.445 172 L N -0.083 121.206 121.223 0.110 0.000 2.492 172 L HA 0.035 4.379 4.340 0.007 0.000 0.223 172 L C 0.537 177.553 176.870 0.244 0.000 1.132 172 L CA -0.392 54.524 54.840 0.126 0.000 0.850 172 L CB 0.048 42.141 42.059 0.058 0.000 0.966 172 L HN 0.223 nan 8.230 nan 0.000 0.454 173 c N 1.922 120.666 118.600 0.241 0.000 2.648 173 c HA 0.411 4.985 4.570 0.007 0.000 0.415 173 c C 1.144 175.335 174.090 0.167 0.000 1.366 173 c CA -1.080 55.435 56.329 0.310 0.000 1.756 173 c CB -0.326 42.306 42.510 0.203 0.000 2.549 173 c HN 0.417 nan 8.230 nan 0.000 0.597 174 A N 3.358 126.189 122.820 0.018 0.000 2.290 174 A HA 0.834 5.158 4.320 0.007 0.000 0.310 174 A C 0.335 177.833 177.584 -0.144 0.000 1.202 174 A CA 0.152 52.111 52.037 -0.130 0.000 0.837 174 A CB 0.448 19.235 19.000 -0.354 0.000 1.139 174 A HN 1.381 nan 8.150 nan 0.000 0.509 175 G N 0.680 109.437 108.800 -0.072 0.000 2.556 175 G HA2 0.539 4.503 3.960 0.007 0.000 0.294 175 G HA3 0.539 4.503 3.960 0.007 0.000 0.294 175 G C -0.142 174.737 174.900 -0.034 0.000 1.516 175 G CA 0.187 45.254 45.100 -0.055 0.000 0.824 175 G HN 1.184 nan 8.290 nan 0.000 0.535 176 T N -0.565 113.970 114.554 -0.031 0.000 4.169 176 T HA 0.209 4.564 4.350 0.007 0.000 0.413 176 T C 1.462 176.154 174.700 -0.012 0.000 1.164 176 T CA 0.974 63.062 62.100 -0.021 0.000 0.996 176 T CB 0.169 69.025 68.868 -0.020 0.000 1.636 176 T HN 0.453 nan 8.240 nan 0.000 0.511 177 E N 1.581 121.774 120.200 -0.010 0.000 1.995 177 E HA -0.107 4.247 4.350 0.007 0.000 0.207 177 E C 2.327 178.924 176.600 -0.006 0.000 1.016 177 E CA 1.735 58.131 56.400 -0.007 0.000 0.865 177 E CB -1.214 28.482 29.700 -0.007 0.000 0.797 177 E HN 0.785 nan 8.360 nan 0.000 0.491 178 A N 0.906 123.721 122.820 -0.009 0.000 2.275 178 A HA -0.021 4.303 4.320 0.007 0.000 0.212 178 A C 1.392 178.968 177.584 -0.013 0.000 1.201 178 A CA 0.451 52.482 52.037 -0.010 0.000 0.843 178 A CB -0.045 18.948 19.000 -0.012 0.000 0.873 178 A HN 0.030 nan 8.150 nan 0.000 0.492 179 D N 0.423 120.813 120.400 -0.017 0.000 2.149 179 D HA -0.052 4.592 4.640 0.007 0.000 0.201 179 D C 1.016 177.307 176.300 -0.015 0.000 0.972 179 D CA 0.733 54.719 54.000 -0.024 0.000 0.835 179 D CB -0.145 40.637 40.800 -0.030 0.000 0.966 179 D HN 0.435 nan 8.370 nan 0.000 0.476 180 K N 0.235 120.632 120.400 -0.006 0.000 2.543 180 K HA -0.125 4.200 4.320 0.007 0.000 0.279 180 K C 0.328 176.946 176.600 0.030 0.000 1.001 180 K CA 0.247 56.541 56.287 0.013 0.000 1.088 180 K CB 0.133 32.644 32.500 0.019 0.000 0.863 180 K HN 0.265 nan 8.250 nan 0.000 0.488 181 c N 2.539 121.174 118.600 0.060 0.000 4.358 181 c HA -0.226 4.349 4.570 0.007 0.000 0.287 181 c C 0.681 174.807 174.090 0.060 0.000 1.414 181 c CA 0.300 56.679 56.329 0.083 0.000 1.949 181 c CB -2.433 40.121 42.510 0.074 0.000 1.274 181 c HN 0.905 nan 8.230 nan 0.000 0.793 182 A N -0.527 122.306 122.820 0.021 0.000 2.466 182 A HA 0.376 4.700 4.320 0.007 0.000 0.238 182 A C 0.940 178.487 177.584 -0.062 0.000 1.074 182 A CA 0.744 52.762 52.037 -0.031 0.000 0.774 182 A CB 0.148 19.104 19.000 -0.074 0.000 1.015 182 A HN 1.394 nan 8.150 nan 0.000 0.498 183 c N 2.187 120.725 118.600 -0.102 0.000 2.271 183 c HA 0.552 5.127 4.570 0.007 0.000 0.364 183 c C 0.909 174.664 174.090 -0.559 0.000 1.337 183 c CA 0.417 56.668 56.329 -0.129 0.000 1.753 183 c CB -3.038 39.503 42.510 0.052 0.000 2.123 183 c HN 0.967 nan 8.230 nan 0.000 0.577 184 S N -1.187 113.997 115.700 -0.859 0.000 2.688 184 S HA 0.353 4.827 4.470 0.007 0.000 0.275 184 S C 0.426 174.526 174.600 -0.834 0.000 1.175 184 S CA 0.197 57.824 58.200 -0.955 0.000 0.818 184 S CB 0.862 63.832 63.200 -0.383 0.000 1.157 184 S HN 0.451 nan 8.310 nan 0.000 0.482 185 S N 0.187 115.631 115.700 -0.426 0.000 2.723 185 S HA -0.032 4.443 4.470 0.007 0.000 0.231 185 S C 1.196 175.757 174.600 -0.065 0.000 0.967 185 S CA 0.285 58.430 58.200 -0.092 0.000 0.958 185 S CB -0.498 62.727 63.200 0.041 0.000 0.778 185 S HN 0.547 nan 8.310 nan 0.000 0.537 186 Q N 1.527 121.254 119.800 -0.122 0.000 2.123 186 Q HA 0.082 4.427 4.340 0.007 0.000 0.199 186 Q C 0.844 176.810 176.000 -0.056 0.000 0.966 186 Q CA 1.125 56.882 55.803 -0.076 0.000 0.845 186 Q CB -0.381 28.306 28.738 -0.084 0.000 0.907 186 Q HN 0.767 nan 8.270 nan 0.000 0.439 187 E N 1.402 121.570 120.200 -0.053 0.000 2.129 187 E HA 0.089 4.443 4.350 0.007 0.000 0.283 187 E C -2.095 174.526 176.600 0.036 0.000 1.080 187 E CA -2.032 54.366 56.400 -0.002 0.000 0.867 187 E CB 1.190 30.926 29.700 0.060 0.000 1.056 187 E HN -0.101 nan 8.360 nan 0.000 0.404 188 P HA -0.135 nan 4.420 nan 0.000 0.223 188 P C -0.203 177.126 177.300 0.049 0.000 1.144 188 P CA 1.001 64.054 63.100 -0.079 0.000 0.783 188 P CB 0.057 31.593 31.700 -0.272 0.000 0.771 189 Y N -2.571 117.814 120.300 0.142 0.000 2.493 189 Y HA 0.266 4.828 4.550 0.019 0.000 0.275 189 Y C 0.636 176.651 175.900 0.192 0.000 1.183 189 Y CA -1.654 56.532 58.100 0.144 0.000 1.258 189 Y CB -1.132 37.395 38.460 0.112 0.000 1.108 189 Y HN -0.081 nan 8.280 nan 0.000 0.521 190 F N 0.802 120.869 119.950 0.193 0.000 2.396 190 F HA 0.582 5.112 4.527 0.004 0.000 0.343 190 F C 0.762 176.615 175.800 0.088 0.000 1.104 190 F CA 0.417 58.490 58.000 0.123 0.000 1.161 190 F CB 0.487 39.537 39.000 0.082 0.000 1.146 190 F HN 0.215 nan 8.300 nan 0.000 0.522 191 G N 4.538 112.956 108.800 -0.636 0.000 2.710 191 G HA2 -0.304 3.660 3.960 0.007 0.000 0.668 191 G HA3 -0.304 3.660 3.960 0.007 0.000 0.668 191 G C -0.262 174.476 174.900 -0.269 0.000 1.320 191 G CA -0.224 44.526 45.100 -0.584 0.000 0.860 191 G HN 0.742 nan 8.290 nan 0.000 0.538 192 Y N 0.494 120.757 120.300 -0.062 0.000 2.114 192 Y HA -0.119 4.433 4.550 0.005 0.000 0.282 192 Y C 3.402 179.317 175.900 0.026 0.000 1.165 192 Y CA 2.522 60.609 58.100 -0.021 0.000 1.148 192 Y CB -0.694 37.718 38.460 -0.080 0.000 0.972 192 Y HN 0.463 nan 8.280 nan 0.000 0.504 193 S N -0.486 115.337 115.700 0.206 0.000 2.406 193 S HA -0.088 4.386 4.470 0.007 0.000 0.228 193 S C 2.366 177.103 174.600 0.229 0.000 1.020 193 S CA 0.899 59.205 58.200 0.177 0.000 0.965 193 S CB -0.828 62.449 63.200 0.127 0.000 0.798 193 S HN 0.646 nan 8.310 nan 0.000 0.488 194 G N 1.548 110.472 108.800 0.207 0.000 2.414 194 G HA2 -0.063 3.901 3.960 0.007 0.000 0.215 194 G HA3 -0.063 3.901 3.960 0.007 0.000 0.215 194 G C 1.577 176.611 174.900 0.224 0.000 1.188 194 G CA 0.807 46.080 45.100 0.289 0.000 0.783 194 G HN 0.556 nan 8.290 nan 0.000 0.537 195 A N 0.079 122.974 122.820 0.125 0.000 1.978 195 A HA 0.027 4.351 4.320 0.007 0.000 0.220 195 A C 2.146 179.740 177.584 0.016 0.000 1.170 195 A CA 1.582 53.638 52.037 0.031 0.000 0.636 195 A CB -0.499 18.530 19.000 0.048 0.000 0.810 195 A HN 0.391 nan 8.150 nan 0.000 0.448 196 F N 0.285 120.217 119.950 -0.031 0.000 2.113 196 F HA -0.063 4.465 4.527 0.002 0.000 0.297 196 F C 2.103 177.870 175.800 -0.055 0.000 1.103 196 F CA 2.048 60.009 58.000 -0.066 0.000 1.248 196 F CB -0.084 38.873 39.000 -0.072 0.000 0.999 196 F HN 0.043 nan 8.300 nan 0.000 0.475 197 K N 0.080 120.557 120.400 0.129 0.000 2.057 197 K HA -0.198 4.127 4.320 0.007 0.000 0.207 197 K C 2.420 178.970 176.600 -0.083 0.000 1.049 197 K CA 1.340 57.683 56.287 0.092 0.000 0.931 197 K CB -1.354 31.329 32.500 0.304 0.000 0.714 197 K HN 0.483 nan 8.250 nan 0.000 0.440 198 c N 0.383 118.766 118.600 -0.361 0.000 2.411 198 c HA -0.076 4.498 4.570 0.007 0.000 0.279 198 c C 2.364 176.198 174.090 -0.426 0.000 1.288 198 c CA 0.748 56.549 56.329 -0.881 0.000 1.764 198 c CB -1.009 40.803 42.510 -1.162 0.000 1.974 198 c HN 0.511 nan 8.230 nan 0.000 0.498 199 L N 1.408 122.418 121.223 -0.356 0.000 2.022 199 L HA 0.040 4.384 4.340 0.007 0.000 0.204 199 L C 2.556 179.274 176.870 -0.253 0.000 1.076 199 L CA 2.595 57.254 54.840 -0.303 0.000 0.749 199 L CB -1.478 40.357 42.059 -0.373 0.000 0.903 199 L HN 0.461 nan 8.230 nan 0.000 0.439 200 E N -0.436 119.540 120.200 -0.375 0.000 2.219 200 E HA -0.265 4.089 4.350 0.007 0.000 0.198 200 E C 1.348 177.906 176.600 -0.071 0.000 0.998 200 E CA 1.527 57.806 56.400 -0.203 0.000 0.818 200 E CB -0.207 29.301 29.700 -0.321 0.000 0.741 200 E HN 0.700 nan 8.360 nan 0.000 0.477 201 N N -0.950 117.715 118.700 -0.059 0.000 2.383 201 N HA 0.061 4.805 4.740 0.007 0.000 0.192 201 N C 0.575 176.079 175.510 -0.010 0.000 1.141 201 N CA 0.212 53.267 53.050 0.008 0.000 0.851 201 N CB 0.625 39.167 38.487 0.091 0.000 0.976 201 N HN 0.252 nan 8.380 nan 0.000 0.465 202 G N 0.648 109.417 108.800 -0.051 0.000 2.168 202 G HA2 -0.365 3.599 3.960 0.007 0.000 0.257 202 G HA3 -0.365 3.599 3.960 0.007 0.000 0.257 202 G C 0.910 175.783 174.900 -0.044 0.000 0.997 202 G CA 0.450 45.521 45.100 -0.048 0.000 0.708 202 G HN 0.453 nan 8.290 nan 0.000 0.520 203 A N -0.779 122.001 122.820 -0.066 0.000 1.930 203 A HA 0.605 4.929 4.320 0.007 0.000 0.215 203 A C 1.660 179.189 177.584 -0.092 0.000 1.176 203 A CA 2.067 54.068 52.037 -0.059 0.000 0.632 203 A CB 0.014 18.967 19.000 -0.078 0.000 0.819 203 A HN 1.862 nan 8.150 nan 0.000 0.445 204 G N -1.941 106.774 108.800 -0.141 0.000 2.630 204 G HA2 0.477 4.441 3.960 0.007 0.000 0.296 204 G HA3 0.477 4.441 3.960 0.007 0.000 0.296 204 G C -0.669 174.164 174.900 -0.111 0.000 1.285 204 G CA -0.052 44.966 45.100 -0.137 0.000 0.958 204 G HN 0.007 nan 8.290 nan 0.000 0.479 205 D N -1.218 119.128 120.400 -0.090 0.000 2.423 205 D HA 0.105 4.750 4.640 0.007 0.000 0.208 205 D C 0.275 176.622 176.300 0.079 0.000 1.068 205 D CA 0.495 54.504 54.000 0.015 0.000 0.860 205 D CB 1.819 42.633 40.800 0.024 0.000 0.992 205 D HN 0.160 nan 8.370 nan 0.000 0.504 206 V N 0.333 120.190 119.914 -0.096 0.000 2.888 206 V HA 0.689 4.813 4.120 0.007 0.000 0.309 206 V C -1.760 174.033 176.094 -0.503 0.000 1.114 206 V CA -0.746 61.411 62.300 -0.238 0.000 0.940 206 V CB 2.019 33.705 31.823 -0.229 0.000 1.021 206 V HN 0.070 nan 8.190 nan 0.000 0.426 207 A N 5.771 128.300 122.820 -0.486 0.000 2.343 207 A HA 0.875 5.200 4.320 0.007 0.000 0.316 207 A C -1.347 175.975 177.584 -0.436 0.000 1.104 207 A CA -0.372 51.416 52.037 -0.415 0.000 0.768 207 A CB 0.957 19.857 19.000 -0.166 0.000 1.213 207 A HN 0.725 nan 8.150 nan 0.000 0.456 208 F N 2.825 122.712 119.950 -0.105 0.000 2.334 208 F HA 0.504 5.035 4.527 0.006 0.000 0.367 208 F C 0.654 176.491 175.800 0.061 0.000 1.115 208 F CA -0.280 57.691 58.000 -0.048 0.000 1.116 208 F CB 1.341 40.236 39.000 -0.174 0.000 1.230 208 F HN 0.541 nan 8.300 nan 0.000 0.484 209 V N -0.465 119.625 119.914 0.293 0.000 3.069 209 V HA 0.595 4.720 4.120 0.007 0.000 0.312 209 V C -0.664 175.629 176.094 0.332 0.000 1.369 209 V CA -1.343 61.162 62.300 0.341 0.000 1.047 209 V CB 1.601 33.584 31.823 0.267 0.000 1.098 209 V HN 0.420 nan 8.190 nan 0.000 0.473 210 K N 0.371 120.908 120.400 0.228 0.000 2.090 210 K HA 0.281 4.605 4.320 0.007 0.000 0.249 210 K C 0.707 177.259 176.600 -0.080 0.000 0.995 210 K CA 0.258 56.536 56.287 -0.014 0.000 0.914 210 K CB 1.233 33.303 32.500 -0.717 0.000 1.057 210 K HN 0.949 nan 8.250 nan 0.000 0.462 211 D N 0.027 120.348 120.400 -0.133 0.000 2.263 211 D HA -0.180 4.464 4.640 0.007 0.000 0.208 211 D C 1.377 177.483 176.300 -0.324 0.000 0.971 211 D CA 1.502 55.310 54.000 -0.321 0.000 0.867 211 D CB -0.094 40.252 40.800 -0.758 0.000 0.929 211 D HN 0.427 nan 8.370 nan 0.000 0.492 212 S N -0.700 114.791 115.700 -0.348 0.000 2.421 212 S HA -0.093 4.382 4.470 0.007 0.000 0.224 212 S C 1.915 176.461 174.600 -0.091 0.000 1.035 212 S CA 0.861 58.928 58.200 -0.223 0.000 0.953 212 S CB -0.940 62.017 63.200 -0.407 0.000 0.810 212 S HN 0.189 nan 8.310 nan 0.000 0.497 213 T N 3.115 117.517 114.554 -0.252 0.000 2.635 213 T HA -0.202 4.152 4.350 0.007 0.000 0.265 213 T C 1.792 176.191 174.700 -0.502 0.000 1.058 213 T CA 2.085 64.002 62.100 -0.306 0.000 1.162 213 T CB -1.121 67.634 68.868 -0.188 0.000 0.859 213 T HN 0.315 nan 8.240 nan 0.000 0.449 214 V N 0.688 120.305 119.914 -0.495 0.000 2.287 214 V HA -0.148 3.976 4.120 0.007 0.000 0.248 214 V C 2.156 177.847 176.094 -0.670 0.000 1.053 214 V CA 1.887 63.718 62.300 -0.783 0.000 1.027 214 V CB -0.884 30.517 31.823 -0.704 0.000 0.646 214 V HN 0.466 nan 8.190 nan 0.000 0.447 215 F N 0.307 120.076 119.950 -0.303 0.000 2.325 215 F HA -0.046 4.485 4.527 0.006 0.000 0.299 215 F C 2.378 178.039 175.800 -0.231 0.000 1.090 215 F CA 1.089 58.960 58.000 -0.214 0.000 1.392 215 F CB -0.574 38.331 39.000 -0.157 0.000 1.053 215 F HN 0.182 nan 8.300 nan 0.000 0.521 216 E N 0.135 120.276 120.200 -0.098 0.000 2.152 216 E HA -0.120 4.234 4.350 0.007 0.000 0.192 216 E C 1.663 178.150 176.600 -0.189 0.000 0.983 216 E CA 0.866 57.179 56.400 -0.144 0.000 0.818 216 E CB -0.149 29.441 29.700 -0.183 0.000 0.758 216 E HN 0.478 nan 8.360 nan 0.000 0.467 217 N N 0.093 118.586 118.700 -0.345 0.000 2.409 217 N HA 0.038 4.782 4.740 0.007 0.000 0.174 217 N C 0.184 175.569 175.510 -0.210 0.000 1.037 217 N CA 0.481 53.336 53.050 -0.326 0.000 0.898 217 N CB 0.704 38.830 38.487 -0.602 0.000 1.010 217 N HN 0.076 nan 8.380 nan 0.000 0.445 218 L N 1.706 122.785 121.223 -0.240 0.000 2.408 218 L HA 0.374 4.719 4.340 0.007 0.000 0.257 218 L C -2.076 174.752 176.870 -0.070 0.000 1.053 218 L CA -1.426 53.342 54.840 -0.119 0.000 0.922 218 L CB 1.903 43.886 42.059 -0.125 0.000 1.261 218 L HN -0.285 nan 8.230 nan 0.000 0.458 219 P HA -0.067 nan 4.420 nan 0.000 0.230 219 P C -0.337 176.974 177.300 0.019 0.000 1.158 219 P CA 1.048 64.150 63.100 0.002 0.000 0.769 219 P CB 0.207 31.906 31.700 -0.003 0.000 0.807 220 D N -0.504 119.904 120.400 0.014 0.000 2.381 220 D HA 0.024 4.668 4.640 0.007 0.000 0.235 220 D C 0.905 177.221 176.300 0.028 0.000 1.068 220 D CA -0.282 53.733 54.000 0.024 0.000 0.832 220 D CB 1.229 42.043 40.800 0.024 0.000 1.101 220 D HN 0.120 nan 8.370 nan 0.000 0.515 221 E N 2.444 122.666 120.200 0.038 0.000 2.253 221 E HA -0.295 4.059 4.350 0.007 0.000 0.202 221 E C 1.521 178.142 176.600 0.036 0.000 1.014 221 E CA 1.351 57.775 56.400 0.041 0.000 0.823 221 E CB 0.250 29.979 29.700 0.049 0.000 0.736 221 E HN 0.527 nan 8.360 nan 0.000 0.478 222 A N 0.915 123.756 122.820 0.034 0.000 1.930 222 A HA -0.172 4.152 4.320 0.007 0.000 0.217 222 A C 1.955 179.568 177.584 0.049 0.000 1.175 222 A CA 1.313 53.370 52.037 0.034 0.000 0.627 222 A CB -0.269 18.748 19.000 0.028 0.000 0.815 222 A HN 0.246 nan 8.150 nan 0.000 0.443 223 E N 0.142 120.378 120.200 0.060 0.000 2.046 223 E HA -0.137 4.217 4.350 0.007 0.000 0.190 223 E C 2.165 178.862 176.600 0.162 0.000 0.982 223 E CA 0.896 57.360 56.400 0.106 0.000 0.800 223 E CB -0.357 29.397 29.700 0.089 0.000 0.756 223 E HN 0.612 nan 8.360 nan 0.000 0.449 224 R N 0.928 121.476 120.500 0.080 0.000 2.152 224 R HA -0.124 4.220 4.340 0.007 0.000 0.232 224 R C 1.566 177.940 176.300 0.123 0.000 1.117 224 R CA 1.257 57.392 56.100 0.058 0.000 0.981 224 R CB -0.189 30.054 30.300 -0.096 0.000 0.870 224 R HN 0.098 nan 8.270 nan 0.000 0.451 225 D N 0.396 120.843 120.400 0.079 0.000 2.378 225 D HA -0.075 4.569 4.640 0.007 0.000 0.222 225 D C 0.932 177.243 176.300 0.019 0.000 0.980 225 D CA 0.970 54.998 54.000 0.045 0.000 0.907 225 D CB 0.155 40.969 40.800 0.023 0.000 0.899 225 D HN 0.165 nan 8.370 nan 0.000 0.527 226 K N -0.765 119.658 120.400 0.038 0.000 2.444 226 K HA 0.061 4.385 4.320 0.007 0.000 0.193 226 K C -0.365 175.987 176.600 -0.415 0.000 1.024 226 K CA 0.267 56.454 56.287 -0.167 0.000 1.077 226 K CB 0.380 32.761 32.500 -0.199 0.000 0.833 226 K HN 0.176 nan 8.250 nan 0.000 0.517 227 Y N 0.295 120.570 120.300 -0.041 0.000 2.562 227 Y HA 0.402 4.956 4.550 0.008 0.000 0.343 227 Y C 0.060 175.927 175.900 -0.055 0.000 1.025 227 Y CA -1.117 56.954 58.100 -0.048 0.000 1.082 227 Y CB 1.872 40.323 38.460 -0.015 0.000 1.264 227 Y HN -0.165 nan 8.280 nan 0.000 0.478 228 E N 0.663 120.917 120.200 0.091 0.000 2.458 228 E HA 0.630 4.984 4.350 0.007 0.000 0.278 228 E C -1.792 174.826 176.600 0.029 0.000 1.004 228 E CA -0.986 55.429 56.400 0.025 0.000 0.823 228 E CB 2.901 32.572 29.700 -0.048 0.000 1.396 228 E HN 0.390 nan 8.360 nan 0.000 0.463 229 L N 1.600 122.834 121.223 0.019 0.000 2.365 229 L HA 0.466 4.810 4.340 0.007 0.000 0.273 229 L C -0.741 176.128 176.870 -0.000 0.000 1.000 229 L CA -0.834 54.026 54.840 0.034 0.000 0.819 229 L CB 1.330 43.440 42.059 0.085 0.000 1.284 229 L HN 0.308 nan 8.230 nan 0.000 0.418 230 L N 2.624 123.849 121.223 0.003 0.000 2.283 230 L HA 0.271 4.616 4.340 0.007 0.000 0.287 230 L C -0.407 176.483 176.870 0.033 0.000 1.073 230 L CA -0.383 54.455 54.840 -0.003 0.000 0.822 230 L CB 0.666 42.738 42.059 0.022 0.000 1.186 230 L HN 0.672 nan 8.230 nan 0.000 0.436 231 c N 4.704 123.310 118.600 0.010 0.000 2.536 231 c HA 0.208 4.783 4.570 0.007 0.000 0.396 231 c C -0.359 173.734 174.090 0.006 0.000 1.279 231 c CA -1.075 55.254 56.329 0.001 0.000 2.148 231 c CB 0.628 43.127 42.510 -0.019 0.000 2.584 231 c HN 0.616 nan 8.230 nan 0.000 0.579 232 P HA -0.102 nan 4.420 nan 0.000 0.234 232 P C 0.366 177.675 177.300 0.015 0.000 1.162 232 P CA 1.489 64.595 63.100 0.010 0.000 0.759 232 P CB -0.050 31.637 31.700 -0.022 0.000 0.813 233 D N -1.491 118.910 120.400 0.002 0.000 2.501 233 D HA -0.007 4.638 4.640 0.007 0.000 0.226 233 D C 0.043 176.351 176.300 0.013 0.000 1.198 233 D CA -0.830 53.174 54.000 0.007 0.000 0.830 233 D CB -1.137 39.658 40.800 -0.007 0.000 1.014 233 D HN -0.118 nan 8.370 nan 0.000 0.496 234 N N 0.696 119.407 118.700 0.019 0.000 2.725 234 N HA -0.152 4.592 4.740 0.007 0.000 0.251 234 N C -0.467 175.041 175.510 -0.002 0.000 1.031 234 N CA 1.540 54.599 53.050 0.015 0.000 0.720 234 N CB -1.755 36.750 38.487 0.029 0.000 0.930 234 N HN 0.699 nan 8.380 nan 0.000 0.543 235 T N -3.013 111.534 114.554 -0.012 0.000 2.887 235 T HA 0.711 5.065 4.350 0.007 0.000 0.292 235 T C -0.109 174.571 174.700 -0.034 0.000 1.087 235 T CA -0.946 61.140 62.100 -0.023 0.000 1.009 235 T CB 2.644 71.501 68.868 -0.019 0.000 1.203 235 T HN 0.165 nan 8.240 nan 0.000 0.518 236 R N 0.644 121.118 120.500 -0.044 0.000 2.480 236 R HA 0.624 4.968 4.340 0.007 0.000 0.306 236 R C -0.703 175.577 176.300 -0.034 0.000 0.958 236 R CA -0.804 55.264 56.100 -0.053 0.000 0.861 236 R CB 1.932 32.180 30.300 -0.087 0.000 1.171 236 R HN 0.577 nan 8.270 nan 0.000 0.445 237 K N 2.803 123.192 120.400 -0.017 0.000 2.340 237 K HA 0.480 4.804 4.320 0.007 0.000 0.244 237 K C -2.451 174.156 176.600 0.013 0.000 0.973 237 K CA -2.123 54.161 56.287 -0.006 0.000 0.828 237 K CB 1.989 34.485 32.500 -0.006 0.000 1.226 237 K HN 0.298 nan 8.250 nan 0.000 0.437 238 P HA -0.087 nan 4.420 nan 0.000 0.269 238 P C 1.042 178.390 177.300 0.080 0.000 1.217 238 P CA -0.098 63.025 63.100 0.039 0.000 0.783 238 P CB 0.544 32.264 31.700 0.034 0.000 0.898 239 V N -0.492 119.470 119.914 0.079 0.000 2.688 239 V HA -0.253 3.871 4.120 0.007 0.000 0.256 239 V C 1.404 177.715 176.094 0.362 0.000 1.084 239 V CA 2.328 64.693 62.300 0.109 0.000 1.103 239 V CB -2.010 29.741 31.823 -0.120 0.000 0.688 239 V HN 0.533 nan 8.190 nan 0.000 0.480 240 D N 1.431 122.032 120.400 0.335 0.000 2.349 240 D HA 0.278 4.922 4.640 0.007 0.000 0.224 240 D C 1.426 177.767 176.300 0.068 0.000 1.029 240 D CA 0.833 55.103 54.000 0.450 0.000 0.879 240 D CB -0.043 40.947 40.800 0.315 0.000 0.906 240 D HN 0.580 nan 8.370 nan 0.000 0.528 241 A N 0.329 123.175 122.820 0.043 0.000 2.462 241 A HA 0.248 4.572 4.320 0.007 0.000 0.261 241 A C 1.113 178.604 177.584 -0.155 0.000 1.323 241 A CA -0.619 51.341 52.037 -0.129 0.000 0.913 241 A CB -1.273 17.698 19.000 -0.049 0.000 1.028 241 A HN 0.406 nan 8.150 nan 0.000 0.511 242 F N -0.156 119.804 119.950 0.017 0.000 2.236 242 F HA -0.141 4.392 4.527 0.010 0.000 0.302 242 F C 1.628 177.277 175.800 -0.252 0.000 1.073 242 F CA 1.490 59.469 58.000 -0.035 0.000 1.336 242 F CB -0.555 38.456 39.000 0.019 0.000 1.040 242 F HN 0.111 nan 8.300 nan 0.000 0.507 243 K N 0.232 120.196 120.400 -0.727 0.000 2.147 243 K HA -0.138 4.186 4.320 0.007 0.000 0.205 243 K C 1.585 178.053 176.600 -0.219 0.000 1.049 243 K CA 1.805 57.685 56.287 -0.678 0.000 0.936 243 K CB -0.179 32.002 32.500 -0.531 0.000 0.722 243 K HN 0.320 nan 8.250 nan 0.000 0.446 244 E N -0.853 119.276 120.200 -0.119 0.000 2.340 244 E HA 0.024 4.378 4.350 0.007 0.000 0.198 244 E C 0.022 176.596 176.600 -0.043 0.000 0.961 244 E CA 0.317 56.692 56.400 -0.042 0.000 0.905 244 E CB 0.576 30.232 29.700 -0.073 0.000 0.884 244 E HN 0.075 nan 8.360 nan 0.000 0.491 245 c N 3.376 121.988 118.600 0.019 0.000 2.627 245 c HA 0.332 4.907 4.570 0.007 0.000 0.369 245 c C -0.857 173.302 174.090 0.115 0.000 1.246 245 c CA -0.482 55.857 56.329 0.017 0.000 1.663 245 c CB -1.832 40.700 42.510 0.036 0.000 1.778 245 c HN 0.367 nan 8.230 nan 0.000 0.516 246 H N 1.267 120.360 119.070 0.039 0.000 2.865 246 H HA 0.384 4.944 4.556 0.007 0.000 0.372 246 H C 0.151 175.553 175.328 0.124 0.000 1.173 246 H CA -0.997 55.120 56.048 0.115 0.000 1.147 246 H CB 0.761 30.613 29.762 0.150 0.000 1.805 246 H HN 0.267 nan 8.280 nan 0.000 0.553 247 L N 0.241 121.599 121.223 0.226 0.000 2.270 247 L HA 0.343 4.687 4.340 0.007 0.000 0.210 247 L C 0.932 177.905 176.870 0.173 0.000 1.104 247 L CA 1.049 55.968 54.840 0.132 0.000 0.804 247 L CB -0.093 42.043 42.059 0.129 0.000 0.937 247 L HN 0.798 nan 8.230 nan 0.000 0.450 248 A N -0.186 122.848 122.820 0.356 0.000 2.490 248 A HA 0.560 4.885 4.320 0.007 0.000 0.292 248 A C -1.227 176.578 177.584 0.368 0.000 1.047 248 A CA -0.663 51.591 52.037 0.361 0.000 0.632 248 A CB 1.071 20.166 19.000 0.160 0.000 1.323 248 A HN 0.048 nan 8.150 nan 0.000 0.448 249 R N 0.612 121.216 120.500 0.174 0.000 2.371 249 R HA 0.585 4.929 4.340 0.007 0.000 0.312 249 R C -0.790 175.414 176.300 -0.161 0.000 0.980 249 R CA -0.314 55.712 56.100 -0.124 0.000 0.867 249 R CB 0.993 31.157 30.300 -0.227 0.000 1.163 249 R HN 1.169 nan 8.270 nan 0.000 0.492 250 V N 1.668 121.393 119.914 -0.316 0.000 2.834 250 V HA 0.731 4.856 4.120 0.007 0.000 0.313 250 V C -2.342 173.498 176.094 -0.423 0.000 1.060 250 V CA -2.489 59.627 62.300 -0.305 0.000 0.989 250 V CB 1.402 33.061 31.823 -0.272 0.000 1.041 250 V HN 0.632 nan 8.190 nan 0.000 0.459 251 P HA 0.227 nan 4.420 nan 0.000 0.277 251 P C -0.054 177.295 177.300 0.083 0.000 1.240 251 P CA -0.016 62.944 63.100 -0.234 0.000 0.798 251 P CB 1.100 32.501 31.700 -0.498 0.000 0.979 252 S N 1.643 117.544 115.700 0.334 0.000 2.580 252 S HA 0.082 4.556 4.470 0.007 0.000 0.266 252 S C 0.516 175.540 174.600 0.708 0.000 1.354 252 S CA -0.333 58.276 58.200 0.681 0.000 1.008 252 S CB -0.398 62.986 63.200 0.308 0.000 0.898 252 S HN 0.445 nan 8.310 nan 0.000 0.555 253 H N 0.222 119.609 119.070 0.529 0.000 2.822 253 H HA 0.477 5.037 4.556 0.006 0.000 0.373 253 H C 0.368 175.904 175.328 0.347 0.000 1.223 253 H CA 0.201 56.496 56.048 0.413 0.000 1.436 253 H CB 0.504 30.507 29.762 0.402 0.000 1.439 253 H HN 0.905 nan 8.280 nan 0.000 0.618 254 A N 1.207 124.241 122.820 0.357 0.000 2.594 254 A HA 0.393 4.717 4.320 0.007 0.000 0.295 254 A C -1.056 176.635 177.584 0.178 0.000 1.071 254 A CA -0.734 51.434 52.037 0.218 0.000 0.685 254 A CB 1.098 20.037 19.000 -0.102 0.000 1.285 254 A HN 0.398 nan 8.150 nan 0.000 0.405 255 V N 1.825 121.857 119.914 0.197 0.000 2.455 255 V HA 0.476 4.600 4.120 0.007 0.000 0.273 255 V C 0.578 176.666 176.094 -0.010 0.000 1.045 255 V CA -0.235 62.155 62.300 0.150 0.000 0.976 255 V CB 0.572 32.546 31.823 0.252 0.000 0.993 255 V HN 1.146 nan 8.190 nan 0.000 0.475 256 V N 2.205 122.073 119.914 -0.077 0.000 2.732 256 V HA 1.075 5.199 4.120 0.007 0.000 0.310 256 V C 0.013 176.026 176.094 -0.135 0.000 1.053 256 V CA -0.389 61.845 62.300 -0.109 0.000 0.957 256 V CB 1.528 33.288 31.823 -0.104 0.000 1.018 256 V HN 1.200 nan 8.190 nan 0.000 0.452 257 A N 2.970 125.724 122.820 -0.109 0.000 2.593 257 A HA 0.797 5.122 4.320 0.007 0.000 0.290 257 A C -0.272 177.267 177.584 -0.076 0.000 1.126 257 A CA -1.223 50.753 52.037 -0.102 0.000 0.695 257 A CB 1.365 20.317 19.000 -0.081 0.000 1.290 257 A HN 0.928 nan 8.150 nan 0.000 0.414 258 R N 0.241 120.702 120.500 -0.064 0.000 2.734 258 R HA 0.221 4.565 4.340 0.007 0.000 0.266 258 R C 0.882 177.156 176.300 -0.044 0.000 1.044 258 R CA 0.437 56.509 56.100 -0.046 0.000 1.128 258 R CB 0.418 30.695 30.300 -0.039 0.000 1.010 258 R HN 0.720 nan 8.270 nan 0.000 0.461 259 S N 0.395 116.071 115.700 -0.040 0.000 2.406 259 S HA -0.013 4.461 4.470 0.007 0.000 0.228 259 S C 0.509 175.089 174.600 -0.033 0.000 1.020 259 S CA 0.504 58.681 58.200 -0.038 0.000 0.965 259 S CB 0.459 63.637 63.200 -0.037 0.000 0.798 259 S HN 0.281 nan 8.310 nan 0.000 0.488 260 V N 2.429 122.324 119.914 -0.031 0.000 2.487 260 V HA 0.350 4.475 4.120 0.007 0.000 0.298 260 V C -0.793 175.286 176.094 -0.025 0.000 1.028 260 V CA -0.669 61.615 62.300 -0.026 0.000 0.860 260 V CB 1.438 33.247 31.823 -0.024 0.000 0.991 260 V HN 0.184 nan 8.190 nan 0.000 0.427 261 D N 3.801 124.188 120.400 -0.021 0.000 2.699 261 D HA -0.148 4.496 4.640 0.007 0.000 0.239 261 D C 1.284 177.571 176.300 -0.022 0.000 1.136 261 D CA 1.344 55.333 54.000 -0.018 0.000 0.668 261 D CB -0.848 39.943 40.800 -0.016 0.000 1.060 261 D HN 0.892 nan 8.370 nan 0.000 0.429 262 G N -0.170 108.615 108.800 -0.025 0.000 2.939 262 G HA2 -0.002 3.962 3.960 0.007 0.000 0.210 262 G HA3 -0.002 3.962 3.960 0.007 0.000 0.210 262 G C 0.658 175.544 174.900 -0.023 0.000 1.160 262 G CA 0.177 45.258 45.100 -0.032 0.000 0.770 262 G HN 0.383 nan 8.290 nan 0.000 0.543 263 R N -0.045 120.448 120.500 -0.010 0.000 3.332 263 R HA -0.172 4.172 4.340 0.007 0.000 0.263 263 R C 1.002 177.315 176.300 0.022 0.000 1.053 263 R CA 0.775 56.878 56.100 0.005 0.000 0.705 263 R CB -2.112 28.192 30.300 0.006 0.000 1.166 263 R HN 0.536 nan 8.270 nan 0.000 0.427 264 E N 0.935 121.145 120.200 0.016 0.000 2.118 264 E HA -0.248 4.107 4.350 0.007 0.000 0.195 264 E C 1.074 177.731 176.600 0.095 0.000 0.992 264 E CA 2.042 58.463 56.400 0.035 0.000 0.804 264 E CB -0.085 29.613 29.700 -0.003 0.000 0.741 264 E HN 0.680 nan 8.360 nan 0.000 0.458 265 D N 0.927 121.375 120.400 0.079 0.000 2.144 265 D HA -0.178 4.467 4.640 0.007 0.000 0.199 265 D C 1.751 178.127 176.300 0.126 0.000 0.984 265 D CA 0.688 54.758 54.000 0.116 0.000 0.834 265 D CB -0.247 40.595 40.800 0.070 0.000 0.955 265 D HN 0.033 nan 8.370 nan 0.000 0.465 266 L N 0.414 121.688 121.223 0.084 0.000 2.017 266 L HA -0.067 4.277 4.340 0.007 0.000 0.208 266 L C 2.407 179.336 176.870 0.099 0.000 1.073 266 L CA 1.304 56.187 54.840 0.071 0.000 0.745 266 L CB -0.517 41.572 42.059 0.050 0.000 0.894 266 L HN 0.139 nan 8.230 nan 0.000 0.432 267 I N -1.841 118.804 120.570 0.124 0.000 2.208 267 I HA -0.370 3.804 4.170 0.007 0.000 0.245 267 I C 2.402 178.638 176.117 0.200 0.000 1.097 267 I CA 1.563 62.964 61.300 0.169 0.000 1.363 267 I CB -0.477 37.605 38.000 0.136 0.000 1.051 267 I HN 0.503 nan 8.210 nan 0.000 0.413 268 W N 2.561 123.880 121.300 0.031 0.000 2.388 268 W HA -0.180 4.484 4.660 0.008 0.000 0.294 268 W C 2.254 178.813 176.519 0.067 0.000 1.212 268 W CA 1.181 58.545 57.345 0.031 0.000 1.271 268 W CB 0.031 29.499 29.460 0.013 0.000 1.126 268 W HN 0.075 nan 8.180 nan 0.000 0.535 269 K N 0.229 120.584 120.400 -0.076 0.000 2.057 269 K HA -0.232 4.092 4.320 0.007 0.000 0.207 269 K C 1.963 178.467 176.600 -0.161 0.000 1.049 269 K CA 1.478 57.663 56.287 -0.171 0.000 0.931 269 K CB -0.732 31.746 32.500 -0.037 0.000 0.714 269 K HN 0.113 nan 8.250 nan 0.000 0.440 270 L N 1.689 122.875 121.223 -0.062 0.000 1.970 270 L HA -0.178 4.166 4.340 0.007 0.000 0.212 270 L C 1.990 178.838 176.870 -0.036 0.000 1.071 270 L CA 1.634 56.478 54.840 0.006 0.000 0.751 270 L CB -0.504 41.620 42.059 0.108 0.000 0.889 270 L HN 0.113 nan 8.230 nan 0.000 0.432 271 L N -1.137 119.992 121.223 -0.158 0.000 2.083 271 L HA -0.244 4.100 4.340 0.007 0.000 0.209 271 L C 2.722 179.354 176.870 -0.398 0.000 1.083 271 L CA 1.433 56.076 54.840 -0.328 0.000 0.752 271 L CB -1.004 40.706 42.059 -0.582 0.000 0.899 271 L HN 0.501 nan 8.230 nan 0.000 0.433 272 H N 0.312 118.903 119.070 -0.799 0.000 2.387 272 H HA -0.110 4.451 4.556 0.008 0.000 0.299 272 H C 2.361 177.503 175.328 -0.310 0.000 1.090 272 H CA 1.305 56.932 56.048 -0.701 0.000 1.332 272 H CB 0.303 29.547 29.762 -0.862 0.000 1.386 272 H HN 0.094 nan 8.280 nan 0.000 0.516 273 R N 0.620 121.074 120.500 -0.076 0.000 2.075 273 R HA -0.000 4.344 4.340 0.007 0.000 0.232 273 R C 2.454 178.713 176.300 -0.068 0.000 1.126 273 R CA 1.068 57.147 56.100 -0.035 0.000 0.963 273 R CB -0.985 29.313 30.300 -0.003 0.000 0.858 273 R HN 0.410 nan 8.270 nan 0.000 0.435 274 A N 1.276 124.104 122.820 0.013 0.000 1.883 274 A HA -0.229 4.095 4.320 0.007 0.000 0.217 274 A C 2.132 179.672 177.584 -0.072 0.000 1.186 274 A CA 1.578 53.667 52.037 0.086 0.000 0.624 274 A CB -0.443 18.616 19.000 0.098 0.000 0.822 274 A HN 0.444 nan 8.150 nan 0.000 0.444 275 Q N -0.729 119.026 119.800 -0.075 0.000 2.030 275 Q HA -0.243 4.101 4.340 0.007 0.000 0.204 275 Q C 2.155 178.076 176.000 -0.131 0.000 0.986 275 Q CA 1.571 57.347 55.803 -0.046 0.000 0.843 275 Q CB -0.376 28.337 28.738 -0.041 0.000 0.904 275 Q HN 0.848 nan 8.270 nan 0.000 0.420 276 E N 0.680 120.763 120.200 -0.196 0.000 2.097 276 E HA -0.263 4.091 4.350 0.007 0.000 0.196 276 E C 1.700 178.151 176.600 -0.249 0.000 1.000 276 E CA 1.340 57.624 56.400 -0.194 0.000 0.804 276 E CB 0.173 29.771 29.700 -0.170 0.000 0.740 276 E HN 0.196 nan 8.360 nan 0.000 0.454 277 E N -1.292 118.663 120.200 -0.408 0.000 2.140 277 E HA -0.003 4.351 4.350 0.007 0.000 0.191 277 E C 0.423 176.434 176.600 -0.982 0.000 0.973 277 E CA 0.745 56.672 56.400 -0.788 0.000 0.829 277 E CB 0.254 29.265 29.700 -1.148 0.000 0.781 277 E HN 0.265 nan 8.360 nan 0.000 0.466 278 F N -1.751 118.159 119.950 -0.067 0.000 2.825 278 F HA 0.445 4.979 4.527 0.012 0.000 0.322 278 F C 1.031 176.677 175.800 -0.257 0.000 1.127 278 F CA -0.202 57.696 58.000 -0.171 0.000 1.164 278 F CB 0.130 38.986 39.000 -0.239 0.000 1.101 278 F HN -0.047 nan 8.300 nan 0.000 0.529 279 G N 0.489 109.263 108.800 -0.044 0.000 2.608 279 G HA2 0.111 4.075 3.960 0.007 0.000 0.212 279 G HA3 0.111 4.075 3.960 0.007 0.000 0.212 279 G C 0.276 175.202 174.900 0.043 0.000 1.572 279 G CA -0.663 44.472 45.100 0.059 0.000 1.064 279 G HN -0.022 nan 8.290 nan 0.000 0.556 280 R N 1.132 121.652 120.500 0.034 0.000 2.770 280 R HA -0.071 4.274 4.340 0.007 0.000 0.361 280 R C 0.610 176.895 176.300 -0.024 0.000 0.860 280 R CA 0.603 56.694 56.100 -0.016 0.000 1.071 280 R CB -1.101 29.165 30.300 -0.056 0.000 0.907 280 R HN 0.697 nan 8.270 nan 0.000 0.403 281 N N 1.475 120.163 118.700 -0.020 0.000 2.644 281 N HA -0.245 4.499 4.740 0.007 0.000 0.248 281 N C 0.558 176.060 175.510 -0.014 0.000 1.150 281 N CA 1.425 54.465 53.050 -0.016 0.000 0.727 281 N CB -0.084 38.392 38.487 -0.019 0.000 1.091 281 N HN 0.435 nan 8.380 nan 0.000 0.556 282 K N -0.432 119.956 120.400 -0.020 0.000 1.973 282 K HA 0.014 4.338 4.320 0.007 0.000 0.212 282 K C 1.228 177.827 176.600 -0.001 0.000 1.047 282 K CA 1.361 57.628 56.287 -0.034 0.000 0.937 282 K CB -0.779 31.670 32.500 -0.085 0.000 0.721 282 K HN 0.323 nan 8.250 nan 0.000 0.440 283 S N -0.827 114.903 115.700 0.051 0.000 2.768 283 S HA 0.275 4.749 4.470 0.007 0.000 0.300 283 S C 0.858 175.514 174.600 0.093 0.000 1.122 283 S CA -0.048 58.224 58.200 0.119 0.000 0.995 283 S CB 1.397 64.790 63.200 0.322 0.000 1.195 283 S HN 0.305 nan 8.310 nan 0.000 0.547 284 S N -0.217 115.546 115.700 0.105 0.000 2.653 284 S HA 0.316 4.791 4.470 0.007 0.000 0.259 284 S C 1.711 176.363 174.600 0.086 0.000 1.076 284 S CA 0.433 58.673 58.200 0.067 0.000 1.051 284 S CB -0.560 62.669 63.200 0.047 0.000 0.994 284 S HN 0.891 nan 8.310 nan 0.000 0.552 285 A N 1.085 123.984 122.820 0.132 0.000 1.972 285 A HA 0.433 4.757 4.320 0.007 0.000 0.219 285 A C 0.513 178.187 177.584 0.150 0.000 1.169 285 A CA 1.031 53.145 52.037 0.128 0.000 0.635 285 A CB -0.368 18.727 19.000 0.159 0.000 0.810 285 A HN 0.832 nan 8.150 nan 0.000 0.446 286 F N -1.386 118.518 119.950 -0.077 0.000 2.654 286 F HA 0.531 5.058 4.527 0.001 0.000 0.314 286 F C -2.214 173.508 175.800 -0.130 0.000 1.116 286 F CA -1.419 56.442 58.000 -0.232 0.000 1.017 286 F CB 1.007 39.634 39.000 -0.623 0.000 1.285 286 F HN 0.027 nan 8.300 nan 0.000 0.448 287 Q N 5.742 125.071 119.800 -0.785 0.000 2.325 287 Q HA 0.481 4.826 4.340 0.007 0.000 0.270 287 Q C 0.060 175.354 176.000 -1.176 0.000 1.020 287 Q CA -0.707 54.691 55.803 -0.675 0.000 0.785 287 Q CB 2.171 30.735 28.738 -0.291 0.000 1.259 287 Q HN 0.739 nan 8.270 nan 0.000 0.452 288 L N 1.345 121.898 121.223 -1.116 0.000 2.044 288 L HA 0.160 4.505 4.340 0.007 0.000 0.205 288 L C 0.221 176.546 176.870 -0.908 0.000 1.075 288 L CA 1.661 55.763 54.840 -1.229 0.000 0.747 288 L CB 0.101 41.356 42.059 -1.341 0.000 0.903 288 L HN 0.729 nan 8.230 nan 0.000 0.435 289 F N 0.173 119.926 119.950 -0.329 0.000 2.980 289 F HA 0.546 5.077 4.527 0.006 0.000 0.299 289 F C 0.849 176.560 175.800 -0.147 0.000 1.211 289 F CA -0.283 57.600 58.000 -0.195 0.000 1.328 289 F CB -0.480 38.393 39.000 -0.211 0.000 1.154 289 F HN 0.024 nan 8.300 nan 0.000 0.528 290 G N -0.728 108.029 108.800 -0.071 0.000 2.682 290 G HA2 0.618 4.583 3.960 0.007 0.000 0.300 290 G HA3 0.618 4.583 3.960 0.007 0.000 0.300 290 G C -1.139 173.744 174.900 -0.029 0.000 1.391 290 G CA -0.534 44.538 45.100 -0.045 0.000 0.990 290 G HN 0.103 nan 8.290 nan 0.000 0.501 291 S N -0.892 114.813 115.700 0.009 0.000 2.732 291 S HA 0.794 5.268 4.470 0.007 0.000 0.293 291 S C 0.286 174.904 174.600 0.030 0.000 1.159 291 S CA -0.525 57.693 58.200 0.031 0.000 0.847 291 S CB 1.573 64.807 63.200 0.056 0.000 1.169 291 S HN 1.183 nan 8.310 nan 0.000 0.501 292 T N -0.080 114.497 114.554 0.038 0.000 2.860 292 T HA 0.295 4.649 4.350 0.007 0.000 0.299 292 T C -2.210 172.512 174.700 0.036 0.000 1.045 292 T CA -1.039 61.081 62.100 0.033 0.000 1.071 292 T CB 0.192 69.080 68.868 0.033 0.000 0.985 292 T HN 0.179 nan 8.240 nan 0.000 0.537 293 P HA 0.061 nan 4.420 nan 0.000 0.216 293 P C 1.906 179.232 177.300 0.044 0.000 1.153 293 P CA 1.123 64.244 63.100 0.035 0.000 0.844 293 P CB -0.431 31.286 31.700 0.028 0.000 0.787 294 G N -0.264 108.559 108.800 0.039 0.000 2.529 294 G HA2 -0.207 3.758 3.960 0.007 0.000 0.219 294 G HA3 -0.207 3.758 3.960 0.007 0.000 0.219 294 G C 0.151 175.084 174.900 0.055 0.000 1.177 294 G CA 0.958 46.081 45.100 0.039 0.000 0.773 294 G HN 0.316 nan 8.290 nan 0.000 0.573 295 E N -0.261 119.975 120.200 0.060 0.000 2.256 295 E HA 0.440 4.794 4.350 0.007 0.000 0.268 295 E C -0.522 176.133 176.600 0.091 0.000 0.877 295 E CA -0.638 55.812 56.400 0.085 0.000 0.757 295 E CB 1.911 31.658 29.700 0.078 0.000 1.183 295 E HN 0.184 nan 8.360 nan 0.000 0.418 296 Q N 1.120 120.989 119.800 0.115 0.000 2.207 296 Q HA 0.263 4.607 4.340 0.007 0.000 0.237 296 Q C -0.561 175.524 176.000 0.141 0.000 0.998 296 Q CA -0.732 55.137 55.803 0.110 0.000 0.951 296 Q CB 0.535 29.332 28.738 0.099 0.000 1.213 296 Q HN 0.518 nan 8.270 nan 0.000 0.499 297 D N 0.699 121.181 120.400 0.137 0.000 2.890 297 D HA -0.185 4.460 4.640 0.007 0.000 0.226 297 D C -0.762 175.637 176.300 0.166 0.000 1.207 297 D CA 0.745 54.847 54.000 0.170 0.000 0.764 297 D CB -1.260 39.665 40.800 0.210 0.000 0.948 297 D HN 0.313 nan 8.370 nan 0.000 0.404 298 L N 1.031 122.333 121.223 0.132 0.000 2.264 298 L HA 0.320 4.665 4.340 0.007 0.000 0.289 298 L C 1.955 178.859 176.870 0.057 0.000 1.044 298 L CA -0.737 54.161 54.840 0.098 0.000 0.807 298 L CB 1.115 43.221 42.059 0.080 0.000 1.192 298 L HN 0.294 nan 8.230 nan 0.000 0.425 299 L N 1.667 122.878 121.223 -0.020 0.000 4.252 299 L HA -0.353 3.991 4.340 0.007 0.000 0.370 299 L C -0.329 176.169 176.870 -0.620 0.000 0.743 299 L CA 1.597 56.257 54.840 -0.299 0.000 2.767 299 L CB -1.074 40.756 42.059 -0.382 0.000 0.809 299 L HN 0.431 nan 8.230 nan 0.000 0.696 300 F N -1.358 118.688 119.950 0.161 0.000 2.664 300 F HA 0.543 5.074 4.527 0.006 0.000 0.317 300 F C 0.268 176.215 175.800 0.244 0.000 1.108 300 F CA -1.006 57.151 58.000 0.262 0.000 0.957 300 F CB 0.902 40.062 39.000 0.266 0.000 1.365 300 F HN -0.312 nan 8.300 nan 0.000 0.475 301 K N 1.740 122.426 120.400 0.475 0.000 2.338 301 K HA 0.153 4.478 4.320 0.007 0.000 0.290 301 K C -1.042 175.684 176.600 0.210 0.000 1.069 301 K CA -0.090 56.344 56.287 0.246 0.000 0.941 301 K CB -0.351 32.230 32.500 0.135 0.000 1.023 301 K HN 0.327 nan 8.250 nan 0.000 0.477 302 D N 3.145 123.627 120.400 0.137 0.000 2.533 302 D HA -0.053 4.592 4.640 0.007 0.000 0.236 302 D C -0.019 176.276 176.300 -0.010 0.000 1.137 302 D CA 0.874 54.928 54.000 0.090 0.000 0.867 302 D CB 0.319 41.143 40.800 0.040 0.000 1.170 302 D HN 0.660 nan 8.370 nan 0.000 0.474 303 S N -0.911 114.789 115.700 0.000 0.000 3.361 303 S HA -0.179 4.296 4.470 0.007 0.000 0.288 303 S C 0.351 174.810 174.600 -0.235 0.000 1.269 303 S CA 0.551 58.687 58.200 -0.107 0.000 0.976 303 S CB -1.441 61.687 63.200 -0.119 0.000 1.162 303 S HN 0.818 nan 8.310 nan 0.000 0.643 304 A N 0.418 123.004 122.820 -0.390 0.000 2.407 304 A HA 0.642 4.967 4.320 0.007 0.000 0.248 304 A C 1.270 178.275 177.584 -0.964 0.000 1.082 304 A CA -0.196 51.499 52.037 -0.570 0.000 0.785 304 A CB 0.206 18.787 19.000 -0.699 0.000 1.020 304 A HN 0.408 nan 8.150 nan 0.000 0.489 305 L N 1.516 122.346 121.223 -0.655 0.000 2.217 305 L HA 0.213 4.558 4.340 0.007 0.000 0.211 305 L C 1.444 177.931 176.870 -0.639 0.000 1.107 305 L CA 1.139 55.662 54.840 -0.529 0.000 0.783 305 L CB -0.619 41.256 42.059 -0.306 0.000 0.919 305 L HN 0.997 nan 8.230 nan 0.000 0.442 306 G N -1.526 106.752 108.800 -0.869 0.000 2.398 306 G HA2 0.208 4.173 3.960 0.007 0.000 0.251 306 G HA3 0.208 4.173 3.960 0.007 0.000 0.251 306 G C -1.626 172.834 174.900 -0.732 0.000 1.277 306 G CA -0.817 43.858 45.100 -0.708 0.000 0.927 306 G HN -0.126 nan 8.290 nan 0.000 0.477 307 F N -0.429 119.550 119.950 0.048 0.000 2.631 307 F HA 0.789 5.319 4.527 0.006 0.000 0.328 307 F C 0.285 176.250 175.800 0.275 0.000 1.067 307 F CA -0.917 57.191 58.000 0.180 0.000 0.969 307 F CB 2.376 41.574 39.000 0.331 0.000 1.332 307 F HN 0.598 nan 8.300 nan 0.000 0.490 308 V N -0.723 119.484 119.914 0.489 0.000 2.709 308 V HA 0.608 4.732 4.120 0.007 0.000 0.308 308 V C -0.644 175.471 176.094 0.035 0.000 1.062 308 V CA -1.095 61.383 62.300 0.297 0.000 0.901 308 V CB 1.687 33.694 31.823 0.307 0.000 1.003 308 V HN 0.854 nan 8.190 nan 0.000 0.425 309 R N 3.214 123.449 120.500 -0.442 0.000 2.442 309 R HA 0.511 4.856 4.340 0.007 0.000 0.291 309 R C -0.623 175.334 176.300 -0.571 0.000 1.069 309 R CA -0.361 55.258 56.100 -0.802 0.000 1.022 309 R CB 0.657 30.156 30.300 -1.335 0.000 0.976 309 R HN 0.838 nan 8.270 nan 0.000 0.443 310 I N 7.653 127.883 120.570 -0.567 0.000 2.312 310 I HA 0.195 4.369 4.170 0.007 0.000 0.291 310 I C -1.804 173.987 176.117 -0.542 0.000 1.031 310 I CA -2.192 58.636 61.300 -0.785 0.000 1.293 310 I CB 1.358 39.007 38.000 -0.585 0.000 1.403 310 I HN 0.417 nan 8.210 nan 0.000 0.484 311 P HA -0.014 nan 4.420 nan 0.000 0.270 311 P C 0.439 177.614 177.300 -0.208 0.000 1.216 311 P CA 0.229 63.163 63.100 -0.277 0.000 0.788 311 P CB 0.530 32.123 31.700 -0.178 0.000 0.883 312 S N 0.194 115.809 115.700 -0.141 0.000 2.387 312 S HA -0.185 4.289 4.470 0.007 0.000 0.226 312 S C 1.798 176.357 174.600 -0.068 0.000 1.026 312 S CA 1.003 59.142 58.200 -0.102 0.000 0.972 312 S CB -0.531 62.620 63.200 -0.080 0.000 0.814 312 S HN 0.611 nan 8.310 nan 0.000 0.477 313 Q N 0.943 120.715 119.800 -0.047 0.000 2.124 313 Q HA -0.034 4.310 4.340 0.007 0.000 0.202 313 Q C 0.156 176.149 176.000 -0.012 0.000 0.977 313 Q CA 0.726 56.516 55.803 -0.021 0.000 0.850 313 Q CB -0.319 28.417 28.738 -0.004 0.000 0.901 313 Q HN 0.481 nan 8.270 nan 0.000 0.429 314 I N 3.503 124.064 120.570 -0.015 0.000 2.828 314 I HA -0.128 4.047 4.170 0.007 0.000 0.292 314 I C 0.086 176.210 176.117 0.012 0.000 1.206 314 I CA -0.147 61.164 61.300 0.019 0.000 1.420 314 I CB -0.143 37.874 38.000 0.028 0.000 1.368 314 I HN 0.322 nan 8.210 nan 0.000 0.556 315 D N 3.931 124.360 120.400 0.049 0.000 2.494 315 D HA 0.214 4.858 4.640 0.007 0.000 0.259 315 D C 0.959 177.320 176.300 0.103 0.000 1.109 315 D CA -0.578 53.447 54.000 0.042 0.000 1.040 315 D CB 0.685 41.506 40.800 0.034 0.000 1.175 315 D HN 0.441 nan 8.370 nan 0.000 0.584 316 S N -0.917 114.837 115.700 0.091 0.000 2.370 316 S HA -0.101 4.374 4.470 0.007 0.000 0.226 316 S C 2.128 176.856 174.600 0.213 0.000 1.033 316 S CA 1.172 59.471 58.200 0.166 0.000 1.011 316 S CB -1.412 61.850 63.200 0.104 0.000 0.852 316 S HN 0.723 nan 8.310 nan 0.000 0.457 317 G N 1.699 110.591 108.800 0.152 0.000 2.440 317 G HA2 -0.076 3.889 3.960 0.007 0.000 0.218 317 G HA3 -0.076 3.889 3.960 0.007 0.000 0.218 317 G C 1.460 176.447 174.900 0.146 0.000 1.154 317 G CA 0.932 46.126 45.100 0.157 0.000 0.767 317 G HN 0.488 nan 8.290 nan 0.000 0.552 318 L N -1.161 120.143 121.223 0.136 0.000 2.179 318 L HA 0.061 4.406 4.340 0.007 0.000 0.208 318 L C 2.537 179.502 176.870 0.159 0.000 1.096 318 L CA 0.649 55.564 54.840 0.124 0.000 0.779 318 L CB -0.262 41.865 42.059 0.112 0.000 0.922 318 L HN 0.331 nan 8.230 nan 0.000 0.443 319 Y N 0.850 121.205 120.300 0.091 0.000 2.114 319 Y HA -0.257 4.297 4.550 0.007 0.000 0.284 319 Y C 2.240 178.189 175.900 0.082 0.000 1.143 319 Y CA 1.646 59.816 58.100 0.116 0.000 1.135 319 Y CB -0.275 38.243 38.460 0.096 0.000 0.980 319 Y HN 0.001 nan 8.280 nan 0.000 0.499 320 L N -0.311 120.886 121.223 -0.042 0.000 2.056 320 L HA 0.106 4.451 4.340 0.007 0.000 0.207 320 L C 1.358 178.195 176.870 -0.056 0.000 1.078 320 L CA 0.811 55.560 54.840 -0.151 0.000 0.749 320 L CB -1.232 40.861 42.059 0.056 0.000 0.901 320 L HN 0.488 nan 8.230 nan 0.000 0.433 321 G N -1.920 106.903 108.800 0.039 0.000 2.663 321 G HA2 -0.052 3.913 3.960 0.007 0.000 0.686 321 G HA3 -0.052 3.913 3.960 0.007 0.000 0.686 321 G C 0.411 175.363 174.900 0.088 0.000 1.288 321 G CA -0.245 44.882 45.100 0.044 0.000 0.836 321 G HN 0.225 nan 8.290 nan 0.000 0.584 322 A N 0.491 123.347 122.820 0.060 0.000 1.841 322 A HA -0.090 4.234 4.320 0.007 0.000 0.216 322 A C 2.315 179.936 177.584 0.061 0.000 1.199 322 A CA 2.678 54.750 52.037 0.057 0.000 0.621 322 A CB -0.848 18.172 19.000 0.033 0.000 0.835 322 A HN 1.159 nan 8.150 nan 0.000 0.445 323 N N -1.440 117.290 118.700 0.050 0.000 2.069 323 N HA -0.238 4.506 4.740 0.007 0.000 0.196 323 N C 1.540 177.079 175.510 0.047 0.000 1.024 323 N CA 2.078 55.152 53.050 0.040 0.000 0.869 323 N CB -0.606 37.905 38.487 0.039 0.000 1.035 323 N HN 0.677 nan 8.380 nan 0.000 0.434 324 Y N 0.823 121.111 120.300 -0.019 0.000 2.220 324 Y HA 0.070 4.624 4.550 0.007 0.000 0.291 324 Y C 2.007 177.897 175.900 -0.017 0.000 1.129 324 Y CA 1.032 59.118 58.100 -0.023 0.000 1.161 324 Y CB -0.225 38.219 38.460 -0.028 0.000 0.997 324 Y HN 0.002 nan 8.280 nan 0.000 0.522 325 L N -0.363 120.984 121.223 0.207 0.000 2.012 325 L HA -0.275 4.070 4.340 0.007 0.000 0.210 325 L C 2.663 179.552 176.870 0.032 0.000 1.073 325 L CA 2.127 57.067 54.840 0.167 0.000 0.748 325 L CB -1.265 40.912 42.059 0.198 0.000 0.891 325 L HN 0.407 nan 8.230 nan 0.000 0.431 326 T N -2.023 112.538 114.554 0.013 0.000 2.622 326 T HA -0.249 4.105 4.350 0.007 0.000 0.266 326 T C 1.958 176.612 174.700 -0.076 0.000 1.047 326 T CA 1.279 63.369 62.100 -0.017 0.000 1.159 326 T CB -0.637 68.223 68.868 -0.014 0.000 0.863 326 T HN 0.321 nan 8.240 nan 0.000 0.422 327 A N 1.508 124.245 122.820 -0.138 0.000 1.948 327 A HA -0.090 4.234 4.320 0.007 0.000 0.220 327 A C 2.654 180.089 177.584 -0.248 0.000 1.177 327 A CA 2.493 54.411 52.037 -0.197 0.000 0.636 327 A CB -1.579 17.266 19.000 -0.258 0.000 0.815 327 A HN 0.650 nan 8.150 nan 0.000 0.449 328 T N -0.321 114.023 114.554 -0.350 0.000 2.732 328 T HA -0.144 4.210 4.350 0.007 0.000 0.261 328 T C 2.061 176.617 174.700 -0.239 0.000 1.040 328 T CA 1.557 63.419 62.100 -0.396 0.000 1.145 328 T CB -0.286 68.176 68.868 -0.677 0.000 0.866 328 T HN 0.607 nan 8.240 nan 0.000 0.427 329 Q N 0.863 120.583 119.800 -0.134 0.000 2.181 329 Q HA -0.080 4.264 4.340 0.007 0.000 0.205 329 Q C 2.147 178.161 176.000 0.023 0.000 0.980 329 Q CA 1.123 56.938 55.803 0.019 0.000 0.862 329 Q CB -0.295 28.494 28.738 0.085 0.000 0.905 329 Q HN 0.622 nan 8.270 nan 0.000 0.429 330 N N 0.087 118.778 118.700 -0.015 0.000 2.309 330 N HA -0.098 4.646 4.740 0.007 0.000 0.182 330 N C 1.257 176.808 175.510 0.068 0.000 1.018 330 N CA 0.488 53.543 53.050 0.008 0.000 0.876 330 N CB 0.037 38.509 38.487 -0.025 0.000 0.972 330 N HN 0.210 nan 8.380 nan 0.000 0.434 331 L N 1.103 122.362 121.223 0.061 0.000 2.610 331 L HA 0.030 4.374 4.340 0.007 0.000 0.232 331 L C 1.467 178.515 176.870 0.296 0.000 1.149 331 L CA 0.352 55.287 54.840 0.158 0.000 0.872 331 L CB -0.106 41.972 42.059 0.031 0.000 0.992 331 L HN 0.280 nan 8.230 nan 0.000 0.447 332 R N -0.815 119.805 120.500 0.199 0.000 2.596 332 R HA 0.335 4.679 4.340 0.007 0.000 0.369 332 R C -0.367 176.004 176.300 0.117 0.000 1.042 332 R CA -0.098 56.123 56.100 0.202 0.000 1.120 332 R CB 0.359 30.765 30.300 0.176 0.000 1.353 332 R HN 0.224 nan 8.270 nan 0.000 0.564 333 E N 1.521 121.768 120.200 0.077 0.000 2.288 333 E HA 0.220 4.574 4.350 0.007 0.000 0.268 333 E C -0.657 175.895 176.600 -0.081 0.000 0.885 333 E CA -0.868 55.532 56.400 0.000 0.000 0.767 333 E CB 2.302 32.008 29.700 0.010 0.000 1.220 333 E HN 0.204 nan 8.360 nan 0.000 0.427 334 T N -1.322 113.156 114.554 -0.126 0.000 2.813 334 T HA 0.248 4.602 4.350 0.007 0.000 0.297 334 T C 1.200 175.817 174.700 -0.139 0.000 1.036 334 T CA -0.021 61.962 62.100 -0.195 0.000 1.044 334 T CB 1.263 70.029 68.868 -0.170 0.000 0.993 334 T HN 0.535 nan 8.240 nan 0.000 0.535 335 A N 1.423 124.150 122.820 -0.155 0.000 1.902 335 A HA 0.157 4.481 4.320 0.007 0.000 0.217 335 A C 2.674 180.210 177.584 -0.080 0.000 1.181 335 A CA 1.804 53.779 52.037 -0.103 0.000 0.623 335 A CB -1.551 17.386 19.000 -0.105 0.000 0.818 335 A HN 1.265 nan 8.150 nan 0.000 0.443 336 A N -0.418 122.352 122.820 -0.084 0.000 1.933 336 A HA -0.170 4.154 4.320 0.007 0.000 0.218 336 A C 1.934 179.486 177.584 -0.053 0.000 1.175 336 A CA 1.688 53.687 52.037 -0.064 0.000 0.628 336 A CB -0.459 18.503 19.000 -0.063 0.000 0.814 336 A HN 0.655 nan 8.150 nan 0.000 0.444 337 E N -0.510 119.656 120.200 -0.057 0.000 2.047 337 E HA -0.100 4.254 4.350 0.007 0.000 0.191 337 E C 2.055 178.634 176.600 -0.035 0.000 0.987 337 E CA 1.205 57.580 56.400 -0.042 0.000 0.799 337 E CB -0.224 29.451 29.700 -0.041 0.000 0.752 337 E HN 0.386 nan 8.360 nan 0.000 0.449 338 V N 1.492 121.383 119.914 -0.039 0.000 2.233 338 V HA -0.301 3.824 4.120 0.007 0.000 0.247 338 V C 2.367 178.437 176.094 -0.039 0.000 1.050 338 V CA 2.028 64.307 62.300 -0.034 0.000 1.010 338 V CB -0.807 30.995 31.823 -0.036 0.000 0.637 338 V HN 0.336 nan 8.190 nan 0.000 0.444 339 A N -0.204 122.590 122.820 -0.043 0.000 1.940 339 A HA -0.150 4.175 4.320 0.007 0.000 0.219 339 A C 2.403 179.966 177.584 -0.036 0.000 1.176 339 A CA 2.232 54.243 52.037 -0.043 0.000 0.631 339 A CB -0.795 18.179 19.000 -0.043 0.000 0.814 339 A HN 0.608 nan 8.150 nan 0.000 0.446 340 A N 0.023 122.825 122.820 -0.031 0.000 1.858 340 A HA -0.174 4.150 4.320 0.007 0.000 0.216 340 A C 2.183 179.757 177.584 -0.017 0.000 1.190 340 A CA 2.232 54.256 52.037 -0.022 0.000 0.617 340 A CB -0.499 18.487 19.000 -0.023 0.000 0.827 340 A HN 0.499 nan 8.150 nan 0.000 0.443 341 R N -0.142 120.346 120.500 -0.020 0.000 2.083 341 R HA -0.098 4.246 4.340 0.007 0.000 0.237 341 R C 2.223 178.509 176.300 -0.022 0.000 1.137 341 R CA 2.099 58.190 56.100 -0.015 0.000 0.951 341 R CB -0.594 29.697 30.300 -0.014 0.000 0.851 341 R HN 0.491 nan 8.270 nan 0.000 0.434 342 R N -0.062 120.410 120.500 -0.048 0.000 2.193 342 R HA -0.087 4.258 4.340 0.007 0.000 0.229 342 R C 1.558 177.769 176.300 -0.148 0.000 1.110 342 R CA 1.829 57.870 56.100 -0.098 0.000 0.988 342 R CB 0.044 30.285 30.300 -0.099 0.000 0.871 342 R HN 0.465 nan 8.270 nan 0.000 0.458 343 E N -0.430 119.741 120.200 -0.047 0.000 2.307 343 E HA -0.034 4.321 4.350 0.007 0.000 0.195 343 E C 0.527 177.238 176.600 0.185 0.000 0.975 343 E CA -0.011 56.416 56.400 0.044 0.000 0.878 343 E CB 0.312 30.038 29.700 0.043 0.000 0.845 343 E HN 0.344 nan 8.360 nan 0.000 0.488 344 R N 0.513 121.076 120.500 0.104 0.000 2.584 344 R HA 0.463 4.808 4.340 0.007 0.000 0.253 344 R C -0.269 176.126 176.300 0.157 0.000 1.251 344 R CA -0.492 55.661 56.100 0.088 0.000 1.129 344 R CB 0.499 30.808 30.300 0.014 0.000 1.239 344 R HN -0.215 nan 8.270 nan 0.000 0.595 345 V N 0.876 120.826 119.914 0.059 0.000 2.612 345 V HA 0.249 4.373 4.120 0.007 0.000 0.301 345 V C -0.927 175.184 176.094 0.029 0.000 1.059 345 V CA -0.878 61.469 62.300 0.078 0.000 0.886 345 V CB 2.049 33.902 31.823 0.050 0.000 1.007 345 V HN 0.546 nan 8.190 nan 0.000 0.426 346 V N 4.799 124.744 119.914 0.052 0.000 2.364 346 V HA 0.352 4.476 4.120 0.007 0.000 0.272 346 V C -0.178 175.971 176.094 0.092 0.000 1.036 346 V CA -0.433 61.891 62.300 0.040 0.000 0.880 346 V CB 1.444 33.276 31.823 0.015 0.000 0.991 346 V HN 0.842 nan 8.190 nan 0.000 0.460 347 W N 4.857 126.092 121.300 -0.108 0.000 2.381 347 W HA 0.410 5.074 4.660 0.008 0.000 0.329 347 W C -0.383 176.125 176.519 -0.020 0.000 1.157 347 W CA -0.627 56.690 57.345 -0.047 0.000 1.240 347 W CB 1.751 31.187 29.460 -0.041 0.000 1.199 347 W HN 0.549 nan 8.180 nan 0.000 0.579 348 c N 5.351 123.812 118.600 -0.232 0.000 2.251 348 c HA 0.701 5.276 4.570 0.007 0.000 0.323 348 c C 0.334 174.421 174.090 -0.006 0.000 1.241 348 c CA -0.308 55.957 56.329 -0.107 0.000 1.601 348 c CB -0.995 41.404 42.510 -0.184 0.000 2.251 348 c HN 0.555 nan 8.230 nan 0.000 0.488 349 A N 5.094 127.977 122.820 0.106 0.000 2.310 349 A HA 0.670 4.995 4.320 0.007 0.000 0.299 349 A C -0.448 177.158 177.584 0.036 0.000 1.147 349 A CA -0.300 51.820 52.037 0.139 0.000 0.818 349 A CB 0.693 19.795 19.000 0.170 0.000 1.096 349 A HN 0.813 nan 8.150 nan 0.000 0.495 350 V N 2.694 122.617 119.914 0.014 0.000 2.304 350 V HA 0.619 4.744 4.120 0.007 0.000 0.269 350 V C 0.833 176.890 176.094 -0.060 0.000 1.036 350 V CA 0.799 63.069 62.300 -0.050 0.000 0.840 350 V CB -0.435 31.334 31.823 -0.090 0.000 1.036 350 V HN 1.930 nan 8.190 nan 0.000 0.466 351 G N 7.096 115.860 108.800 -0.060 0.000 2.707 351 G HA2 -0.096 3.869 3.960 0.007 0.000 0.686 351 G HA3 -0.096 3.869 3.960 0.007 0.000 0.686 351 G C -1.413 173.475 174.900 -0.019 0.000 1.315 351 G CA -0.232 44.831 45.100 -0.062 0.000 0.832 351 G HN 0.507 nan 8.290 nan 0.000 0.573 352 P HA -0.157 nan 4.420 nan 0.000 0.216 352 P C 1.242 178.557 177.300 0.025 0.000 1.153 352 P CA 2.196 65.299 63.100 0.004 0.000 0.858 352 P CB 0.031 31.729 31.700 -0.003 0.000 0.789 353 E N 0.052 120.269 120.200 0.028 0.000 2.107 353 E HA -0.131 4.223 4.350 0.007 0.000 0.191 353 E C 2.181 178.825 176.600 0.072 0.000 0.982 353 E CA 0.748 57.178 56.400 0.051 0.000 0.809 353 E CB -0.257 29.477 29.700 0.056 0.000 0.756 353 E HN 0.462 nan 8.360 nan 0.000 0.459 354 E N 0.946 121.190 120.200 0.074 0.000 2.150 354 E HA -0.193 4.162 4.350 0.007 0.000 0.193 354 E C 2.036 178.712 176.600 0.126 0.000 0.985 354 E CA 0.615 57.081 56.400 0.109 0.000 0.814 354 E CB 0.016 29.782 29.700 0.110 0.000 0.752 354 E HN 0.287 nan 8.360 nan 0.000 0.466 355 E N 1.273 121.529 120.200 0.092 0.000 2.077 355 E HA -0.193 4.161 4.350 0.007 0.000 0.193 355 E C 2.128 178.778 176.600 0.084 0.000 0.989 355 E CA 0.766 57.217 56.400 0.086 0.000 0.800 355 E CB 0.152 29.883 29.700 0.052 0.000 0.746 355 E HN 0.104 nan 8.360 nan 0.000 0.452 356 R N 0.476 121.020 120.500 0.075 0.000 2.080 356 R HA -0.164 4.181 4.340 0.007 0.000 0.236 356 R C 2.603 178.964 176.300 0.103 0.000 1.137 356 R CA 1.814 57.958 56.100 0.072 0.000 0.943 356 R CB -0.306 30.033 30.300 0.064 0.000 0.846 356 R HN 0.066 nan 8.270 nan 0.000 0.431 357 K N 0.403 120.883 120.400 0.133 0.000 2.103 357 K HA -0.203 4.121 4.320 0.007 0.000 0.207 357 K C 2.186 178.930 176.600 0.239 0.000 1.048 357 K CA 1.666 58.074 56.287 0.202 0.000 0.930 357 K CB -0.303 32.312 32.500 0.191 0.000 0.716 357 K HN 0.221 nan 8.250 nan 0.000 0.444 358 c N 1.297 120.023 118.600 0.210 0.000 2.446 358 c HA -0.023 4.552 4.570 0.007 0.000 0.277 358 c C 2.360 176.512 174.090 0.105 0.000 1.275 358 c CA 0.748 57.215 56.329 0.230 0.000 1.727 358 c CB -0.641 41.996 42.510 0.211 0.000 2.010 358 c HN 0.458 nan 8.230 nan 0.000 0.486 359 K N 0.540 120.979 120.400 0.065 0.000 2.044 359 K HA -0.199 4.126 4.320 0.007 0.000 0.210 359 K C 2.042 178.620 176.600 -0.037 0.000 1.049 359 K CA 1.720 58.012 56.287 0.008 0.000 0.927 359 K CB -0.839 31.673 32.500 0.019 0.000 0.713 359 K HN 0.688 nan 8.250 nan 0.000 0.443 360 Q N -0.810 118.981 119.800 -0.016 0.000 2.061 360 Q HA -0.203 4.141 4.340 0.007 0.000 0.204 360 Q C 1.984 177.725 176.000 -0.432 0.000 0.984 360 Q CA 1.501 57.235 55.803 -0.114 0.000 0.846 360 Q CB -0.313 28.479 28.738 0.090 0.000 0.902 360 Q HN 0.391 nan 8.270 nan 0.000 0.421 361 W N 0.992 121.816 121.300 -0.795 0.000 2.342 361 W HA -0.165 4.499 4.660 0.008 0.000 0.297 361 W C 2.496 178.661 176.519 -0.591 0.000 1.213 361 W CA 1.501 58.212 57.345 -1.057 0.000 1.251 361 W CB -0.747 28.331 29.460 -0.638 0.000 1.136 361 W HN 0.037 nan 8.180 nan 0.000 0.526 362 S N 0.045 115.597 115.700 -0.246 0.000 2.345 362 S HA -0.179 4.295 4.470 0.007 0.000 0.220 362 S C 1.600 176.087 174.600 -0.188 0.000 1.031 362 S CA 1.882 59.924 58.200 -0.263 0.000 0.996 362 S CB -0.524 62.571 63.200 -0.176 0.000 0.882 362 S HN 0.144 nan 8.310 nan 0.000 0.445 363 D N 0.789 121.097 120.400 -0.154 0.000 2.117 363 D HA -0.057 4.587 4.640 0.007 0.000 0.197 363 D C 1.961 178.198 176.300 -0.105 0.000 0.987 363 D CA 1.040 54.976 54.000 -0.106 0.000 0.829 363 D CB -0.542 40.210 40.800 -0.080 0.000 0.961 363 D HN 0.301 nan 8.370 nan 0.000 0.460 364 V N 0.944 120.746 119.914 -0.186 0.000 2.970 364 V HA -0.120 4.005 4.120 0.007 0.000 0.260 364 V C 2.131 178.215 176.094 -0.017 0.000 1.100 364 V CA 1.665 63.874 62.300 -0.151 0.000 1.122 364 V CB -0.333 31.253 31.823 -0.395 0.000 0.721 364 V HN 0.248 nan 8.190 nan 0.000 0.483 365 S N -1.111 114.553 115.700 -0.060 0.000 2.556 365 S HA 0.095 4.569 4.470 0.007 0.000 0.216 365 S C 0.911 175.524 174.600 0.020 0.000 0.970 365 S CA 0.336 58.571 58.200 0.058 0.000 0.912 365 S CB -0.364 62.822 63.200 -0.023 0.000 0.790 365 S HN 0.526 nan 8.310 nan 0.000 0.504 366 N N 2.363 121.055 118.700 -0.013 0.000 2.780 366 N HA -0.183 4.561 4.740 0.007 0.000 0.248 366 N C -0.291 175.198 175.510 -0.035 0.000 1.102 366 N CA 0.810 53.852 53.050 -0.014 0.000 0.697 366 N CB -1.630 36.864 38.487 0.012 0.000 1.028 366 N HN 0.603 nan 8.380 nan 0.000 0.554 367 R N -2.038 118.419 120.500 -0.071 0.000 3.770 367 R HA -0.265 4.079 4.340 0.007 0.000 0.305 367 R C 0.726 176.977 176.300 -0.082 0.000 1.184 367 R CA 1.444 57.491 56.100 -0.087 0.000 0.823 367 R CB -1.514 28.748 30.300 -0.062 0.000 1.285 367 R HN 0.553 nan 8.270 nan 0.000 0.499 368 K N 0.244 120.592 120.400 -0.087 0.000 2.155 368 K HA 0.033 4.358 4.320 0.007 0.000 0.203 368 K C 0.845 177.363 176.600 -0.136 0.000 1.052 368 K CA 1.108 57.354 56.287 -0.068 0.000 0.948 368 K CB 0.404 32.880 32.500 -0.040 0.000 0.728 368 K HN -0.039 nan 8.250 nan 0.000 0.448 369 V N 1.168 120.921 119.914 -0.267 0.000 2.448 369 V HA 0.482 4.606 4.120 0.007 0.000 0.295 369 V C -0.411 175.482 176.094 -0.335 0.000 1.025 369 V CA -0.836 61.212 62.300 -0.421 0.000 0.859 369 V CB 1.376 32.602 31.823 -0.996 0.000 0.988 369 V HN 0.178 nan 8.190 nan 0.000 0.431 370 A N 3.747 126.444 122.820 -0.205 0.000 2.344 370 A HA 0.905 5.230 4.320 0.007 0.000 0.307 370 A C -0.582 176.958 177.584 -0.073 0.000 1.151 370 A CA -0.485 51.477 52.037 -0.125 0.000 0.842 370 A CB 1.589 20.548 19.000 -0.069 0.000 1.350 370 A HN 0.818 nan 8.150 nan 0.000 0.459 371 c N -0.574 118.011 118.600 -0.026 0.000 2.667 371 c HA 0.963 5.537 4.570 0.007 0.000 0.323 371 c C 0.422 174.531 174.090 0.030 0.000 1.214 371 c CA -0.122 56.227 56.329 0.033 0.000 1.721 371 c CB 1.097 43.638 42.510 0.051 0.000 2.275 371 c HN 1.211 nan 8.230 nan 0.000 0.491 372 A N 1.335 124.182 122.820 0.045 0.000 2.515 372 A HA 0.946 5.270 4.320 0.007 0.000 0.298 372 A C -0.539 177.059 177.584 0.023 0.000 1.059 372 A CA -0.253 51.795 52.037 0.019 0.000 0.698 372 A CB 1.437 20.437 19.000 0.001 0.000 1.289 372 A HN 1.326 nan 8.150 nan 0.000 0.404 373 S N -0.001 115.704 115.700 0.009 0.000 2.595 373 S HA 0.966 5.440 4.470 0.007 0.000 0.281 373 S C -0.466 174.125 174.600 -0.016 0.000 1.117 373 S CA -0.124 58.078 58.200 0.003 0.000 0.873 373 S CB 1.827 65.035 63.200 0.012 0.000 1.108 373 S HN 2.426 nan 8.310 nan 0.000 0.477 374 A N 0.716 123.519 122.820 -0.029 0.000 2.606 374 A HA 0.768 5.093 4.320 0.007 0.000 0.293 374 A C 0.432 177.981 177.584 -0.059 0.000 1.082 374 A CA -0.577 51.434 52.037 -0.043 0.000 0.685 374 A CB 0.785 19.754 19.000 -0.051 0.000 1.284 374 A HN 0.917 nan 8.150 nan 0.000 0.408 375 S N -0.112 115.550 115.700 -0.064 0.000 2.453 375 S HA 0.106 4.580 4.470 0.007 0.000 0.231 375 S C 0.905 175.434 174.600 -0.119 0.000 1.005 375 S CA 1.443 59.592 58.200 -0.084 0.000 0.949 375 S CB -0.381 62.777 63.200 -0.070 0.000 0.774 375 S HN 1.411 nan 8.310 nan 0.000 0.510 376 T N -2.352 112.134 114.554 -0.114 0.000 2.864 376 T HA 0.375 4.729 4.350 0.007 0.000 0.299 376 T C 0.767 175.367 174.700 -0.168 0.000 1.166 376 T CA -0.608 61.405 62.100 -0.144 0.000 1.007 376 T CB 1.335 70.138 68.868 -0.108 0.000 1.219 376 T HN -0.125 nan 8.240 nan 0.000 0.506 377 T N 1.019 115.417 114.554 -0.260 0.000 2.788 377 T HA -0.102 4.252 4.350 0.007 0.000 0.268 377 T C 1.750 176.301 174.700 -0.248 0.000 1.044 377 T CA 1.548 63.431 62.100 -0.361 0.000 1.139 377 T CB -0.284 68.109 68.868 -0.791 0.000 0.867 377 T HN 0.740 nan 8.240 nan 0.000 0.454 378 E N 2.032 122.142 120.200 -0.150 0.000 2.051 378 E HA -0.145 4.210 4.350 0.007 0.000 0.192 378 E C 2.108 178.683 176.600 -0.041 0.000 0.991 378 E CA 1.012 57.394 56.400 -0.029 0.000 0.799 378 E CB -0.440 29.278 29.700 0.030 0.000 0.748 378 E HN 0.630 nan 8.360 nan 0.000 0.449 379 E N 0.543 120.710 120.200 -0.055 0.000 2.085 379 E HA -0.171 4.184 4.350 0.007 0.000 0.194 379 E C 2.284 178.851 176.600 -0.055 0.000 0.994 379 E CA 1.343 57.716 56.400 -0.045 0.000 0.801 379 E CB -0.269 29.402 29.700 -0.048 0.000 0.743 379 E HN 0.205 nan 8.360 nan 0.000 0.453 380 c N 0.537 119.086 118.600 -0.084 0.000 2.429 380 c HA -0.135 4.440 4.570 0.007 0.000 0.277 380 c C 2.629 176.666 174.090 -0.088 0.000 1.262 380 c CA 0.432 56.704 56.329 -0.095 0.000 1.733 380 c CB -0.779 41.652 42.510 -0.132 0.000 2.010 380 c HN 0.393 nan 8.230 nan 0.000 0.483 381 I N 1.094 121.616 120.570 -0.079 0.000 2.208 381 I HA -0.235 3.939 4.170 0.007 0.000 0.245 381 I C 2.719 178.817 176.117 -0.031 0.000 1.097 381 I CA 1.627 62.896 61.300 -0.053 0.000 1.363 381 I CB -0.548 37.440 38.000 -0.021 0.000 1.051 381 I HN 0.306 nan 8.210 nan 0.000 0.413 382 A N 0.931 123.740 122.820 -0.019 0.000 1.902 382 A HA -0.173 4.152 4.320 0.007 0.000 0.217 382 A C 2.326 179.908 177.584 -0.004 0.000 1.181 382 A CA 1.348 53.385 52.037 -0.001 0.000 0.623 382 A CB -0.831 18.172 19.000 0.006 0.000 0.818 382 A HN 0.369 nan 8.150 nan 0.000 0.443 383 L N -0.451 120.761 121.223 -0.018 0.000 2.042 383 L HA -0.200 4.144 4.340 0.007 0.000 0.210 383 L C 2.572 179.429 176.870 -0.021 0.000 1.076 383 L CA 1.461 56.291 54.840 -0.017 0.000 0.749 383 L CB -0.652 41.388 42.059 -0.032 0.000 0.893 383 L HN 0.278 nan 8.230 nan 0.000 0.432 384 V N 0.157 120.045 119.914 -0.042 0.000 2.407 384 V HA -0.287 3.837 4.120 0.007 0.000 0.248 384 V C 2.350 178.434 176.094 -0.017 0.000 1.055 384 V CA 1.587 63.860 62.300 -0.045 0.000 1.049 384 V CB -0.340 31.440 31.823 -0.072 0.000 0.662 384 V HN 0.369 nan 8.190 nan 0.000 0.455 385 L N -0.743 120.476 121.223 -0.006 0.000 2.217 385 L HA -0.097 4.248 4.340 0.007 0.000 0.211 385 L C 2.440 179.326 176.870 0.027 0.000 1.107 385 L CA 1.313 56.159 54.840 0.010 0.000 0.783 385 L CB -0.520 41.548 42.059 0.015 0.000 0.919 385 L HN 0.257 nan 8.230 nan 0.000 0.442 386 K N -0.003 120.416 120.400 0.032 0.000 2.228 386 K HA 0.075 4.399 4.320 0.007 0.000 0.202 386 K C 1.243 177.875 176.600 0.054 0.000 1.051 386 K CA 0.797 57.117 56.287 0.055 0.000 0.960 386 K CB 0.086 32.620 32.500 0.057 0.000 0.743 386 K HN 0.396 nan 8.250 nan 0.000 0.458 387 G N 1.787 110.606 108.800 0.031 0.000 2.131 387 G HA2 -0.217 3.747 3.960 0.007 0.000 0.201 387 G HA3 -0.217 3.747 3.960 0.007 0.000 0.201 387 G C 0.247 175.160 174.900 0.022 0.000 1.000 387 G CA 0.069 45.184 45.100 0.025 0.000 0.680 387 G HN 0.381 nan 8.290 nan 0.000 0.514 388 E N -0.362 119.849 120.200 0.017 0.000 2.472 388 E HA 0.512 4.867 4.350 0.007 0.000 0.196 388 E C 1.072 177.671 176.600 -0.002 0.000 1.033 388 E CA 0.667 57.075 56.400 0.014 0.000 0.886 388 E CB 0.648 30.360 29.700 0.020 0.000 0.944 388 E HN 0.844 nan 8.360 nan 0.000 0.492 389 A N 0.308 123.118 122.820 -0.018 0.000 2.566 389 A HA 0.382 4.707 4.320 0.007 0.000 0.292 389 A C -0.649 176.906 177.584 -0.049 0.000 1.112 389 A CA -0.694 51.319 52.037 -0.039 0.000 0.707 389 A CB 1.426 20.383 19.000 -0.072 0.000 1.302 389 A HN -0.105 nan 8.150 nan 0.000 0.409 390 D N -0.365 120.000 120.400 -0.059 0.000 2.422 390 D HA 0.461 5.106 4.640 0.007 0.000 0.218 390 D C 0.610 176.834 176.300 -0.127 0.000 1.047 390 D CA 1.584 55.557 54.000 -0.046 0.000 0.885 390 D CB 1.130 41.949 40.800 0.031 0.000 1.035 390 D HN 0.892 nan 8.370 nan 0.000 0.502 391 A N 0.071 122.709 122.820 -0.303 0.000 2.511 391 A HA 0.646 4.970 4.320 0.007 0.000 0.293 391 A C -2.170 174.768 177.584 -1.076 0.000 1.098 391 A CA -0.673 51.043 52.037 -0.535 0.000 0.643 391 A CB 1.160 19.893 19.000 -0.445 0.000 1.302 391 A HN 0.042 nan 8.150 nan 0.000 0.446 392 L N -2.197 118.412 121.223 -1.024 0.000 2.789 392 L HA 0.624 4.969 4.340 0.007 0.000 0.258 392 L C -1.030 175.635 176.870 -0.341 0.000 0.966 392 L CA -1.034 53.231 54.840 -0.959 0.000 0.916 392 L CB 0.640 42.367 42.059 -0.554 0.000 1.475 392 L HN 0.649 nan 8.230 nan 0.000 0.418 393 N N 0.980 119.661 118.700 -0.032 0.000 2.472 393 N HA 0.756 5.500 4.740 0.007 0.000 0.277 393 N C -1.201 174.375 175.510 0.110 0.000 1.081 393 N CA -0.023 53.121 53.050 0.156 0.000 0.973 393 N CB 0.652 39.240 38.487 0.169 0.000 1.105 393 N HN 0.760 nan 8.380 nan 0.000 0.470 394 L N 1.240 122.549 121.223 0.144 0.000 2.333 394 L HA 0.425 4.769 4.340 0.007 0.000 0.263 394 L C -0.104 176.803 176.870 0.061 0.000 1.014 394 L CA -1.166 53.736 54.840 0.103 0.000 0.820 394 L CB 1.911 44.036 42.059 0.111 0.000 1.352 394 L HN 0.531 nan 8.230 nan 0.000 0.421 395 D N 0.121 120.463 120.400 -0.097 0.000 2.339 395 D HA 0.214 4.859 4.640 0.007 0.000 0.245 395 D C 1.258 177.613 176.300 0.091 0.000 1.115 395 D CA 0.386 54.161 54.000 -0.375 0.000 0.917 395 D CB 1.846 42.516 40.800 -0.216 0.000 1.192 395 D HN 0.591 nan 8.370 nan 0.000 0.428 396 G N 2.227 111.141 108.800 0.189 0.000 2.547 396 G HA2 -0.321 3.644 3.960 0.007 0.000 0.221 396 G HA3 -0.321 3.644 3.960 0.007 0.000 0.221 396 G C 1.401 176.499 174.900 0.330 0.000 1.140 396 G CA 0.949 46.250 45.100 0.336 0.000 0.760 396 G HN 0.644 nan 8.290 nan 0.000 0.583 397 G N 0.082 109.026 108.800 0.239 0.000 2.440 397 G HA2 -0.122 3.843 3.960 0.007 0.000 0.218 397 G HA3 -0.122 3.843 3.960 0.007 0.000 0.218 397 G C 1.473 176.296 174.900 -0.128 0.000 1.154 397 G CA 0.754 45.865 45.100 0.019 0.000 0.767 397 G HN 0.414 nan 8.290 nan 0.000 0.552 398 F N 0.098 120.096 119.950 0.081 0.000 2.776 398 F HA 0.379 4.910 4.527 0.007 0.000 0.300 398 F C 2.251 178.080 175.800 0.047 0.000 1.116 398 F CA -0.241 57.790 58.000 0.052 0.000 1.375 398 F CB 0.163 39.172 39.000 0.014 0.000 1.109 398 F HN 0.054 nan 8.300 nan 0.000 0.585 399 I N -1.146 119.560 120.570 0.227 0.000 2.439 399 I HA -0.302 3.873 4.170 0.007 0.000 0.251 399 I C 2.354 178.499 176.117 0.047 0.000 1.139 399 I CA 1.111 62.517 61.300 0.177 0.000 1.438 399 I CB -0.351 37.821 38.000 0.286 0.000 1.085 399 I HN 0.147 nan 8.210 nan 0.000 0.427 400 Y N 1.519 121.757 120.300 -0.104 0.000 2.114 400 Y HA -0.273 4.282 4.550 0.007 0.000 0.284 400 Y C 2.448 178.138 175.900 -0.349 0.000 1.143 400 Y CA 1.966 59.869 58.100 -0.328 0.000 1.135 400 Y CB -0.464 37.830 38.460 -0.277 0.000 0.980 400 Y HN -0.138 nan 8.280 nan 0.000 0.499 401 V N 0.808 120.677 119.914 -0.075 0.000 2.255 401 V HA -0.380 3.745 4.120 0.007 0.000 0.247 401 V C 2.734 178.730 176.094 -0.164 0.000 1.051 401 V CA 2.060 64.298 62.300 -0.102 0.000 1.018 401 V CB -1.834 30.042 31.823 0.088 0.000 0.641 401 V HN 0.595 nan 8.190 nan 0.000 0.445 402 A N 0.633 123.411 122.820 -0.069 0.000 1.917 402 A HA -0.183 4.141 4.320 0.007 0.000 0.219 402 A C 2.400 179.909 177.584 -0.124 0.000 1.182 402 A CA 2.290 54.293 52.037 -0.058 0.000 0.633 402 A CB -1.308 17.694 19.000 0.004 0.000 0.819 402 A HN 0.581 nan 8.150 nan 0.000 0.448 403 G N -0.935 107.700 108.800 -0.274 0.000 2.421 403 G HA2 -0.135 3.829 3.960 0.007 0.000 0.217 403 G HA3 -0.135 3.829 3.960 0.007 0.000 0.217 403 G C 1.553 176.245 174.900 -0.346 0.000 1.143 403 G CA 0.793 45.721 45.100 -0.287 0.000 0.784 403 G HN 0.483 nan 8.290 nan 0.000 0.541 404 K N -0.119 119.931 120.400 -0.583 0.000 2.288 404 K HA 0.013 4.338 4.320 0.007 0.000 0.201 404 K C 1.700 178.207 176.600 -0.154 0.000 1.048 404 K CA 0.438 56.499 56.287 -0.376 0.000 0.956 404 K CB -0.124 32.074 32.500 -0.503 0.000 0.746 404 K HN 0.323 nan 8.250 nan 0.000 0.461 405 c N 0.493 119.018 118.600 -0.125 0.000 2.673 405 c HA 0.230 4.804 4.570 0.007 0.000 0.274 405 c C 1.431 175.508 174.090 -0.023 0.000 1.276 405 c CA 0.146 56.443 56.329 -0.053 0.000 1.701 405 c CB -0.835 41.652 42.510 -0.038 0.000 1.836 405 c HN 0.716 nan 8.230 nan 0.000 0.596 406 G N 0.791 109.588 108.800 -0.005 0.000 2.157 406 G HA2 -0.211 3.754 3.960 0.007 0.000 0.248 406 G HA3 -0.211 3.754 3.960 0.007 0.000 0.248 406 G C 0.011 174.930 174.900 0.033 0.000 0.979 406 G CA -0.174 44.942 45.100 0.027 0.000 0.650 406 G HN 0.514 nan 8.290 nan 0.000 0.529 407 L N 0.628 121.865 121.223 0.023 0.000 2.399 407 L HA 0.678 5.022 4.340 0.007 0.000 0.266 407 L C 1.037 177.940 176.870 0.055 0.000 1.114 407 L CA -0.935 53.919 54.840 0.022 0.000 0.804 407 L CB 1.449 43.507 42.059 -0.001 0.000 1.146 407 L HN 0.229 nan 8.230 nan 0.000 0.451 408 V N -0.167 119.774 119.914 0.045 0.000 2.815 408 V HA 0.611 4.735 4.120 0.007 0.000 0.314 408 V C -2.551 173.558 176.094 0.025 0.000 1.064 408 V CA -2.367 59.966 62.300 0.056 0.000 0.952 408 V CB 1.546 33.395 31.823 0.044 0.000 1.020 408 V HN 0.573 nan 8.190 nan 0.000 0.439 409 P HA 0.277 nan 4.420 nan 0.000 0.282 409 P C 0.463 177.726 177.300 -0.062 0.000 1.274 409 P CA 0.012 63.064 63.100 -0.080 0.000 0.770 409 P CB 1.959 33.503 31.700 -0.260 0.000 0.867 410 V N 4.641 124.538 119.914 -0.028 0.000 2.284 410 V HA 0.004 4.129 4.120 0.007 0.000 0.236 410 V C 1.295 177.381 176.094 -0.013 0.000 1.044 410 V CA 1.324 63.621 62.300 -0.006 0.000 1.019 410 V CB -0.564 31.272 31.823 0.021 0.000 0.657 410 V HN 0.411 nan 8.190 nan 0.000 0.465 411 L N -1.126 120.104 121.223 0.012 0.000 2.333 411 L HA 0.803 5.147 4.340 0.007 0.000 0.263 411 L C -0.542 176.369 176.870 0.069 0.000 1.014 411 L CA -0.504 54.359 54.840 0.038 0.000 0.820 411 L CB 1.919 43.999 42.059 0.034 0.000 1.352 411 L HN 0.235 nan 8.230 nan 0.000 0.421 412 A N 0.457 123.337 122.820 0.100 0.000 2.354 412 A HA 0.581 4.905 4.320 0.007 0.000 0.321 412 A C -0.773 176.907 177.584 0.160 0.000 1.125 412 A CA -0.547 51.581 52.037 0.151 0.000 0.799 412 A CB 1.075 20.202 19.000 0.212 0.000 1.293 412 A HN 0.710 nan 8.150 nan 0.000 0.452 413 E N 1.006 121.316 120.200 0.183 0.000 2.290 413 E HA 0.113 4.467 4.350 0.007 0.000 0.277 413 E C -0.948 175.674 176.600 0.036 0.000 1.035 413 E CA -0.146 56.297 56.400 0.072 0.000 0.873 413 E CB 0.469 30.221 29.700 0.086 0.000 1.029 413 E HN 0.463 nan 8.360 nan 0.000 0.419 414 N N 3.989 122.656 118.700 -0.055 0.000 2.564 414 N HA 0.009 4.753 4.740 0.007 0.000 0.248 414 N C -0.663 174.777 175.510 -0.116 0.000 0.986 414 N CA -0.439 52.586 53.050 -0.042 0.000 0.921 414 N CB 0.863 39.338 38.487 -0.020 0.000 1.136 414 N HN 0.440 nan 8.380 nan 0.000 0.509 415 Q N 1.374 121.115 119.800 -0.098 0.000 2.524 415 Q HA 0.047 4.392 4.340 0.007 0.000 0.246 415 Q C -0.558 175.379 176.000 -0.105 0.000 1.063 415 Q CA 0.256 55.981 55.803 -0.131 0.000 0.945 415 Q CB 0.850 29.519 28.738 -0.115 0.000 1.292 415 Q HN 0.269 nan 8.270 nan 0.000 0.518 416 K N 1.999 122.335 120.400 -0.108 0.000 2.086 416 K HA 0.084 4.409 4.320 0.007 0.000 0.215 416 K C -0.153 176.411 176.600 -0.061 0.000 1.207 416 K CA -0.089 56.151 56.287 -0.079 0.000 1.206 416 K CB -0.210 32.246 32.500 -0.074 0.000 1.253 416 K HN 0.450 nan 8.250 nan 0.000 0.234 417 S N 1.696 117.366 115.700 -0.050 0.000 2.658 417 S HA -0.034 4.440 4.470 0.007 0.000 0.249 417 S C 0.122 174.704 174.600 -0.031 0.000 1.363 417 S CA -0.203 57.976 58.200 -0.035 0.000 0.964 417 S CB 0.331 63.517 63.200 -0.022 0.000 0.973 417 S HN 0.404 nan 8.310 nan 0.000 0.588 418 Q N 0.643 120.429 119.800 -0.023 0.000 2.350 418 Q HA 0.538 4.882 4.340 0.007 0.000 0.255 418 Q C -0.182 175.810 176.000 -0.014 0.000 0.951 418 Q CA -0.453 55.337 55.803 -0.020 0.000 0.751 418 Q CB 1.313 30.037 28.738 -0.023 0.000 1.296 418 Q HN 0.539 nan 8.270 nan 0.000 0.453 419 N N 0.238 118.931 118.700 -0.011 0.000 2.539 419 N HA 0.055 4.799 4.740 0.007 0.000 0.326 419 N C -0.830 174.676 175.510 -0.006 0.000 0.622 419 N CA 0.468 53.514 53.050 -0.006 0.000 1.237 419 N CB 0.778 39.264 38.487 -0.002 0.000 1.806 419 N HN 0.454 nan 8.380 nan 0.000 1.552 420 S N 0.758 116.454 115.700 -0.007 0.000 2.545 420 S HA 0.336 4.810 4.470 0.007 0.000 0.259 420 S C -1.397 173.198 174.600 -0.009 0.000 1.092 420 S CA -0.811 57.385 58.200 -0.007 0.000 1.054 420 S CB 0.323 63.522 63.200 -0.002 0.000 1.146 420 S HN 0.103 nan 8.310 nan 0.000 0.447 421 N N 2.296 120.987 118.700 -0.015 0.000 2.878 421 N HA 0.289 5.034 4.740 0.007 0.000 0.282 421 N C 0.773 176.272 175.510 -0.019 0.000 1.284 421 N CA 0.217 53.255 53.050 -0.019 0.000 1.053 421 N CB 0.633 39.105 38.487 -0.024 0.000 1.382 421 N HN 0.809 nan 8.380 nan 0.000 0.529 422 A N 1.800 124.611 122.820 -0.014 0.000 3.204 422 A HA 0.373 4.697 4.320 0.007 0.000 0.197 422 A C -1.128 176.444 177.584 -0.019 0.000 1.915 422 A CA -0.500 51.529 52.037 -0.013 0.000 0.878 422 A CB -0.459 18.538 19.000 -0.005 0.000 1.868 422 A HN 0.085 nan 8.150 nan 0.000 0.685 423 P HA 0.029 nan 4.420 nan 0.000 0.253 423 P C -0.487 176.791 177.300 -0.038 0.000 1.281 423 P CA 0.650 63.728 63.100 -0.035 0.000 0.792 423 P CB -0.188 31.502 31.700 -0.017 0.000 1.193 424 D N -0.268 120.131 120.400 -0.002 0.000 2.133 424 D HA -0.177 4.467 4.640 0.007 0.000 0.195 424 D C 2.033 178.318 176.300 -0.025 0.000 0.997 424 D CA 0.924 54.938 54.000 0.024 0.000 0.840 424 D CB -1.150 39.662 40.800 0.021 0.000 0.947 424 D HN 0.140 nan 8.370 nan 0.000 0.452 425 c N 0.254 118.820 118.600 -0.057 0.000 2.336 425 c HA -0.228 4.346 4.570 0.007 0.000 0.272 425 c C 2.696 176.731 174.090 -0.093 0.000 1.160 425 c CA 1.322 57.612 56.329 -0.064 0.000 1.783 425 c CB -0.963 41.511 42.510 -0.060 0.000 2.050 425 c HN 0.226 nan 8.230 nan 0.000 0.443 426 V N -0.510 119.266 119.914 -0.229 0.000 2.867 426 V HA -0.147 3.977 4.120 0.007 0.000 0.260 426 V C 1.542 177.496 176.094 -0.233 0.000 1.099 426 V CA 2.414 64.552 62.300 -0.270 0.000 1.122 426 V CB -1.160 30.352 31.823 -0.519 0.000 0.708 426 V HN 0.767 nan 8.190 nan 0.000 0.490 427 H N -1.695 117.392 119.070 0.028 0.000 3.058 427 H HA 0.299 4.859 4.556 0.007 0.000 0.266 427 H C 1.189 176.540 175.328 0.037 0.000 1.135 427 H CA -0.535 55.535 56.048 0.036 0.000 1.174 427 H CB 0.445 30.214 29.762 0.012 0.000 1.581 427 H HN 0.239 nan 8.280 nan 0.000 0.553 428 R N 2.861 123.422 120.500 0.101 0.000 2.442 428 R HA 0.127 4.471 4.340 0.007 0.000 0.291 428 R C -2.747 173.602 176.300 0.081 0.000 1.069 428 R CA -1.652 54.493 56.100 0.074 0.000 1.022 428 R CB 0.331 30.652 30.300 0.035 0.000 0.976 428 R HN -0.050 nan 8.270 nan 0.000 0.443 429 P HA 0.101 nan 4.420 nan 0.000 0.267 429 P C -2.457 174.885 177.300 0.071 0.000 1.205 429 P CA -0.944 62.202 63.100 0.077 0.000 0.765 429 P CB 0.433 32.167 31.700 0.056 0.000 0.828 430 P HA -0.005 nan 4.420 nan 0.000 0.268 430 P C 0.384 177.715 177.300 0.050 0.000 1.204 430 P CA 0.342 63.501 63.100 0.098 0.000 0.768 430 P CB 0.370 32.176 31.700 0.177 0.000 0.842 431 E N 2.376 122.594 120.200 0.030 0.000 2.583 431 E HA 0.318 4.672 4.350 0.007 0.000 0.213 431 E C 0.826 177.404 176.600 -0.037 0.000 0.989 431 E CA -0.322 56.074 56.400 -0.006 0.000 0.991 431 E CB -0.160 29.536 29.700 -0.007 0.000 1.040 431 E HN 0.490 nan 8.360 nan 0.000 0.481 432 G N 1.698 110.484 108.800 -0.023 0.000 2.750 432 G HA2 -0.270 3.694 3.960 0.007 0.000 0.228 432 G HA3 -0.270 3.694 3.960 0.007 0.000 0.228 432 G C -0.674 174.218 174.900 -0.013 0.000 1.367 432 G CA -0.078 44.966 45.100 -0.093 0.000 0.871 432 G HN 0.485 nan 8.290 nan 0.000 0.560 433 Y N -3.084 117.169 120.300 -0.080 0.000 2.571 433 Y HA 0.736 5.291 4.550 0.007 0.000 0.341 433 Y C -0.246 175.579 175.900 -0.126 0.000 1.076 433 Y CA -1.862 56.177 58.100 -0.101 0.000 1.029 433 Y CB 0.994 39.400 38.460 -0.090 0.000 1.308 433 Y HN 0.619 nan 8.280 nan 0.000 0.461 434 L N 3.608 124.849 121.223 0.029 0.000 2.313 434 L HA 0.680 5.025 4.340 0.007 0.000 0.282 434 L C 0.432 177.359 176.870 0.095 0.000 1.092 434 L CA -0.838 53.935 54.840 -0.112 0.000 0.831 434 L CB 0.971 42.916 42.059 -0.189 0.000 1.159 434 L HN 0.907 nan 8.230 nan 0.000 0.442 435 A N 4.433 127.297 122.820 0.075 0.000 2.363 435 A HA 0.625 4.949 4.320 0.007 0.000 0.270 435 A C -0.076 177.608 177.584 0.167 0.000 1.121 435 A CA -0.400 51.749 52.037 0.187 0.000 0.800 435 A CB 0.786 19.870 19.000 0.140 0.000 1.052 435 A HN 0.603 nan 8.150 nan 0.000 0.493 436 V N -1.246 118.782 119.914 0.190 0.000 3.141 436 V HA 0.957 5.082 4.120 0.007 0.000 0.312 436 V C -0.067 176.149 176.094 0.202 0.000 1.157 436 V CA -0.532 61.866 62.300 0.164 0.000 1.041 436 V CB 1.605 33.495 31.823 0.112 0.000 1.071 436 V HN 1.675 nan 8.190 nan 0.000 0.441 437 A N 1.686 124.600 122.820 0.157 0.000 2.285 437 A HA 0.831 5.156 4.320 0.007 0.000 0.310 437 A C -0.649 176.954 177.584 0.032 0.000 1.266 437 A CA -0.569 51.521 52.037 0.089 0.000 0.832 437 A CB 0.955 20.127 19.000 0.286 0.000 1.163 437 A HN 1.258 nan 8.150 nan 0.000 0.499 438 V N 3.136 123.026 119.914 -0.040 0.000 2.547 438 V HA 0.727 4.852 4.120 0.007 0.000 0.299 438 V C 0.153 176.278 176.094 0.051 0.000 1.040 438 V CA -0.378 61.955 62.300 0.055 0.000 0.913 438 V CB 1.360 33.242 31.823 0.098 0.000 0.992 438 V HN 1.119 nan 8.190 nan 0.000 0.449 439 V N 1.822 121.830 119.914 0.157 0.000 3.188 439 V HA 0.682 4.807 4.120 0.007 0.000 0.305 439 V C -0.602 175.628 176.094 0.226 0.000 1.232 439 V CA -1.477 60.909 62.300 0.144 0.000 1.043 439 V CB 2.080 33.954 31.823 0.084 0.000 1.068 439 V HN 0.789 nan 8.190 nan 0.000 0.439 440 R N 0.989 121.557 120.500 0.114 0.000 2.543 440 R HA 0.309 4.654 4.340 0.007 0.000 0.277 440 R C 1.067 177.329 176.300 -0.063 0.000 1.074 440 R CA -0.187 55.863 56.100 -0.082 0.000 1.076 440 R CB 0.616 30.828 30.300 -0.148 0.000 0.993 440 R HN 0.893 nan 8.270 nan 0.000 0.459 441 K N 2.142 122.470 120.400 -0.121 0.000 2.103 441 K HA -0.212 4.112 4.320 0.007 0.000 0.207 441 K C 1.865 178.433 176.600 -0.052 0.000 1.048 441 K CA 2.169 58.421 56.287 -0.058 0.000 0.930 441 K CB -0.397 32.059 32.500 -0.074 0.000 0.716 441 K HN 0.534 nan 8.250 nan 0.000 0.444 442 S N 0.643 116.292 115.700 -0.085 0.000 2.389 442 S HA -0.200 4.274 4.470 0.007 0.000 0.229 442 S C 0.002 174.585 174.600 -0.028 0.000 1.048 442 S CA 1.699 59.864 58.200 -0.059 0.000 1.117 442 S CB -0.920 62.236 63.200 -0.073 0.000 1.020 442 S HN 0.508 nan 8.310 nan 0.000 0.430 443 D N 1.593 121.980 120.400 -0.022 0.000 2.429 443 D HA 0.423 5.067 4.640 0.007 0.000 0.253 443 D C 0.585 176.892 176.300 0.013 0.000 1.294 443 D CA 0.679 54.679 54.000 0.001 0.000 1.063 443 D CB 0.533 41.338 40.800 0.009 0.000 1.096 443 D HN 0.441 nan 8.370 nan 0.000 0.516 444 A N 2.001 124.828 122.820 0.011 0.000 2.195 444 A HA -0.022 4.302 4.320 0.007 0.000 0.210 444 A C 1.543 179.145 177.584 0.030 0.000 1.165 444 A CA 0.157 52.206 52.037 0.020 0.000 0.806 444 A CB 0.225 19.233 19.000 0.013 0.000 0.847 444 A HN 0.209 nan 8.150 nan 0.000 0.482 445 D N -0.389 120.027 120.400 0.027 0.000 2.144 445 D HA -0.038 4.607 4.640 0.007 0.000 0.200 445 D C 0.669 176.995 176.300 0.043 0.000 0.978 445 D CA 0.425 54.443 54.000 0.030 0.000 0.833 445 D CB -0.210 40.603 40.800 0.023 0.000 0.961 445 D HN 0.347 nan 8.370 nan 0.000 0.470 446 L N 0.464 121.718 121.223 0.051 0.000 2.455 446 L HA 0.261 4.606 4.340 0.007 0.000 0.272 446 L C 0.224 177.153 176.870 0.098 0.000 1.174 446 L CA 0.823 55.706 54.840 0.072 0.000 0.869 446 L CB 0.543 42.645 42.059 0.072 0.000 1.130 446 L HN -0.134 nan 8.230 nan 0.000 0.474 447 T N 4.152 118.779 114.554 0.123 0.000 2.841 447 T HA 0.139 4.493 4.350 0.007 0.000 0.296 447 T C 0.508 175.357 174.700 0.247 0.000 1.166 447 T CA -0.434 61.770 62.100 0.173 0.000 1.007 447 T CB 0.348 69.302 68.868 0.143 0.000 1.253 447 T HN 0.711 nan 8.240 nan 0.000 0.511 448 W N 2.291 123.654 121.300 0.104 0.000 2.321 448 W HA -0.191 4.474 4.660 0.007 0.000 0.306 448 W C 0.941 177.551 176.519 0.150 0.000 1.217 448 W CA 1.990 59.419 57.345 0.140 0.000 1.257 448 W CB -0.143 29.385 29.460 0.114 0.000 1.145 448 W HN 0.780 nan 8.180 nan 0.000 0.509 449 N N -0.046 118.757 118.700 0.171 0.000 2.571 449 N HA -0.114 4.630 4.740 0.007 0.000 0.189 449 N C 1.011 176.525 175.510 0.006 0.000 1.154 449 N CA 1.303 54.383 53.050 0.049 0.000 0.907 449 N CB -0.097 38.456 38.487 0.110 0.000 0.977 449 N HN 0.011 nan 8.380 nan 0.000 0.449 450 S N -1.043 114.670 115.700 0.021 0.000 2.664 450 S HA 0.284 4.758 4.470 0.007 0.000 0.245 450 S C 1.080 175.686 174.600 0.008 0.000 1.019 450 S CA -0.468 57.735 58.200 0.006 0.000 0.996 450 S CB -0.266 62.952 63.200 0.030 0.000 0.878 450 S HN 0.126 nan 8.310 nan 0.000 0.493 451 L N 1.272 122.500 121.223 0.008 0.000 2.093 451 L HA 0.072 4.417 4.340 0.007 0.000 0.208 451 L C 1.684 178.556 176.870 0.002 0.000 1.085 451 L CA 0.522 55.431 54.840 0.116 0.000 0.755 451 L CB -0.530 41.629 42.059 0.167 0.000 0.904 451 L HN 0.452 nan 8.230 nan 0.000 0.435 452 S N 0.151 115.684 115.700 -0.278 0.000 2.810 452 S HA 0.051 4.525 4.470 0.007 0.000 0.329 452 S C 1.320 175.705 174.600 -0.357 0.000 1.231 452 S CA 0.729 58.488 58.200 -0.735 0.000 1.042 452 S CB 0.051 62.864 63.200 -0.646 0.000 0.756 452 S HN 0.675 nan 8.310 nan 0.000 0.504 453 G N 4.180 112.782 108.800 -0.330 0.000 2.212 453 G HA2 -0.232 3.733 3.960 0.007 0.000 0.266 453 G HA3 -0.232 3.733 3.960 0.007 0.000 0.266 453 G C 0.230 175.151 174.900 0.036 0.000 0.978 453 G CA 0.622 45.658 45.100 -0.108 0.000 0.632 453 G HN 0.686 nan 8.290 nan 0.000 0.537 454 K N 0.520 120.992 120.400 0.120 0.000 2.102 454 K HA 0.501 4.825 4.320 0.007 0.000 0.244 454 K C 0.738 177.516 176.600 0.298 0.000 1.021 454 K CA -0.346 56.056 56.287 0.192 0.000 0.913 454 K CB 0.509 33.132 32.500 0.205 0.000 1.062 454 K HN 0.312 nan 8.250 nan 0.000 0.485 455 K N 0.804 121.309 120.400 0.176 0.000 2.143 455 K HA 0.225 4.550 4.320 0.007 0.000 0.272 455 K C -0.145 176.442 176.600 -0.022 0.000 1.001 455 K CA -0.312 56.050 56.287 0.125 0.000 0.915 455 K CB 1.131 33.674 32.500 0.070 0.000 1.047 455 K HN 0.691 nan 8.250 nan 0.000 0.458 456 S N 0.532 116.155 115.700 -0.128 0.000 2.526 456 S HA 0.491 4.966 4.470 0.007 0.000 0.293 456 S C -0.642 173.792 174.600 -0.276 0.000 1.092 456 S CA -0.940 56.989 58.200 -0.452 0.000 0.980 456 S CB 1.055 63.536 63.200 -1.198 0.000 1.048 456 S HN 0.573 nan 8.310 nan 0.000 0.483 457 c N 3.962 122.329 118.600 -0.388 0.000 2.319 457 c HA 0.658 5.233 4.570 0.007 0.000 0.323 457 c C -0.209 173.747 174.090 -0.223 0.000 1.277 457 c CA -0.536 55.670 56.329 -0.205 0.000 1.517 457 c CB -0.729 41.648 42.510 -0.222 0.000 2.206 457 c HN 0.890 nan 8.230 nan 0.000 0.486 458 H N 1.216 120.353 119.070 0.112 0.000 2.622 458 H HA 0.258 4.819 4.556 0.007 0.000 0.363 458 H C 0.965 176.328 175.328 0.058 0.000 1.151 458 H CA -0.077 56.080 56.048 0.182 0.000 1.184 458 H CB 1.967 31.911 29.762 0.304 0.000 1.643 458 H HN 0.683 nan 8.280 nan 0.000 0.531 459 T N 0.189 114.815 114.554 0.120 0.000 2.746 459 T HA 0.084 4.438 4.350 0.007 0.000 0.267 459 T C 1.017 175.605 174.700 -0.186 0.000 1.039 459 T CA 0.847 62.857 62.100 -0.150 0.000 1.142 459 T CB 0.093 68.757 68.868 -0.341 0.000 0.866 459 T HN 0.798 nan 8.240 nan 0.000 0.444 460 G N 0.111 108.898 108.800 -0.023 0.000 2.355 460 G HA2 0.425 4.390 3.960 0.007 0.000 0.296 460 G HA3 0.425 4.390 3.960 0.007 0.000 0.296 460 G C -1.019 173.790 174.900 -0.151 0.000 1.507 460 G CA -0.522 44.553 45.100 -0.041 0.000 0.823 460 G HN 0.920 nan 8.290 nan 0.000 0.569 461 V N -0.309 119.361 119.914 -0.407 0.000 2.583 461 V HA 0.793 4.918 4.120 0.007 0.000 0.287 461 V C 1.284 177.060 176.094 -0.531 0.000 1.051 461 V CA 0.961 62.640 62.300 -1.035 0.000 1.010 461 V CB 0.828 31.832 31.823 -1.365 0.000 0.988 461 V HN 2.912 nan 8.190 nan 0.000 0.478 462 G N 3.923 112.384 108.800 -0.567 0.000 2.213 462 G HA2 -0.196 3.768 3.960 0.007 0.000 0.226 462 G HA3 -0.196 3.768 3.960 0.007 0.000 0.226 462 G C 0.358 175.085 174.900 -0.289 0.000 0.992 462 G CA 0.140 44.974 45.100 -0.444 0.000 0.632 462 G HN 0.892 nan 8.290 nan 0.000 0.511 463 R N 0.856 121.356 120.500 -0.000 0.000 2.404 463 R HA 0.574 4.918 4.340 0.007 0.000 0.291 463 R C 1.601 178.007 176.300 0.177 0.000 1.025 463 R CA 0.109 56.275 56.100 0.110 0.000 0.991 463 R CB 0.794 31.159 30.300 0.108 0.000 1.053 463 R HN 0.167 nan 8.270 nan 0.000 0.479 464 T N 1.815 116.490 114.554 0.202 0.000 2.502 464 T HA -0.283 4.071 4.350 0.007 0.000 0.258 464 T C 1.946 176.751 174.700 0.175 0.000 1.146 464 T CA 1.897 64.119 62.100 0.203 0.000 1.208 464 T CB -0.349 68.601 68.868 0.137 0.000 0.864 464 T HN 0.760 nan 8.240 nan 0.000 0.402 465 A N 1.716 124.697 122.820 0.268 0.000 1.917 465 A HA 0.135 4.460 4.320 0.007 0.000 0.219 465 A C 2.145 179.884 177.584 0.259 0.000 1.182 465 A CA 2.027 54.248 52.037 0.308 0.000 0.633 465 A CB -1.190 18.120 19.000 0.517 0.000 0.819 465 A HN 0.626 nan 8.150 nan 0.000 0.448 466 A N -2.111 120.850 122.820 0.234 0.000 3.975 466 A HA 0.300 4.625 4.320 0.007 0.000 0.169 466 A C 1.520 179.258 177.584 0.255 0.000 1.707 466 A CA 0.235 52.458 52.037 0.310 0.000 1.474 466 A CB -1.436 17.740 19.000 0.294 0.000 1.327 466 A HN 0.673 nan 8.150 nan 0.000 0.500 467 W N 0.408 121.720 121.300 0.020 0.000 2.362 467 W HA -0.400 4.264 4.660 0.007 0.000 0.345 467 W C 1.969 178.387 176.519 -0.168 0.000 1.460 467 W CA 2.782 60.043 57.345 -0.141 0.000 1.301 467 W CB -0.882 28.475 29.460 -0.173 0.000 0.996 467 W HN 0.644 nan 8.180 nan 0.000 0.498 468 N N 0.049 118.810 118.700 0.101 0.000 2.069 468 N HA -0.253 4.491 4.740 0.007 0.000 0.196 468 N C 1.377 176.861 175.510 -0.043 0.000 1.024 468 N CA 2.623 55.676 53.050 0.005 0.000 0.869 468 N CB -1.030 37.574 38.487 0.196 0.000 1.035 468 N HN 0.215 nan 8.380 nan 0.000 0.434 469 I N 0.971 121.535 120.570 -0.010 0.000 2.193 469 I HA -0.101 4.074 4.170 0.007 0.000 0.240 469 I C -0.680 175.375 176.117 -0.102 0.000 1.084 469 I CA 1.151 62.433 61.300 -0.030 0.000 1.365 469 I CB -2.386 35.606 38.000 -0.014 0.000 1.064 469 I HN 0.101 nan 8.210 nan 0.000 0.410 470 P HA -0.132 nan 4.420 nan 0.000 0.214 470 P C 1.890 179.009 177.300 -0.300 0.000 1.162 470 P CA 1.459 64.402 63.100 -0.261 0.000 0.874 470 P CB -0.143 30.997 31.700 -0.933 0.000 0.784 471 M N -0.345 118.911 119.600 -0.572 0.000 2.195 471 M HA -0.066 4.419 4.480 0.007 0.000 0.260 471 M C 2.387 178.458 176.300 -0.383 0.000 1.066 471 M CA 1.778 56.633 55.300 -0.743 0.000 1.089 471 M CB -2.467 29.222 32.600 -1.518 0.000 1.377 471 M HN 0.022 nan 8.290 nan 0.000 0.411 472 G N 0.051 108.710 108.800 -0.234 0.000 2.404 472 G HA2 -0.114 3.850 3.960 0.007 0.000 0.215 472 G HA3 -0.114 3.850 3.960 0.007 0.000 0.215 472 G C 1.710 176.633 174.900 0.039 0.000 1.174 472 G CA 0.382 45.465 45.100 -0.029 0.000 0.780 472 G HN 0.432 nan 8.290 nan 0.000 0.537 473 L N -0.083 121.153 121.223 0.023 0.000 2.046 473 L HA 0.011 4.355 4.340 0.007 0.000 0.208 473 L C 2.903 179.825 176.870 0.087 0.000 1.077 473 L CA 0.521 55.413 54.840 0.088 0.000 0.747 473 L CB -0.436 41.726 42.059 0.171 0.000 0.896 473 L HN 0.170 nan 8.230 nan 0.000 0.432 474 L N -1.242 119.981 121.223 -0.000 0.000 2.027 474 L HA -0.229 4.116 4.340 0.007 0.000 0.206 474 L C 2.589 179.449 176.870 -0.017 0.000 1.074 474 L CA 1.041 55.776 54.840 -0.175 0.000 0.745 474 L CB -0.627 41.096 42.059 -0.560 0.000 0.898 474 L HN 0.175 nan 8.230 nan 0.000 0.433 475 F N 1.661 121.577 119.950 -0.058 0.000 2.236 475 F HA -0.262 4.269 4.527 0.007 0.000 0.302 475 F C 2.201 178.010 175.800 0.014 0.000 1.073 475 F CA 1.737 59.771 58.000 0.056 0.000 1.336 475 F CB -0.572 38.532 39.000 0.173 0.000 1.040 475 F HN 0.155 nan 8.300 nan 0.000 0.507 476 N N -0.029 118.605 118.700 -0.109 0.000 2.216 476 N HA -0.160 4.585 4.740 0.007 0.000 0.183 476 N C 1.640 177.076 175.510 -0.124 0.000 1.017 476 N CA 1.504 54.431 53.050 -0.205 0.000 0.861 476 N CB -0.142 38.293 38.487 -0.086 0.000 0.986 476 N HN 0.421 nan 8.380 nan 0.000 0.428 477 Q N -1.485 118.291 119.800 -0.040 0.000 2.302 477 Q HA 0.082 4.427 4.340 0.007 0.000 0.202 477 Q C 1.652 177.658 176.000 0.011 0.000 0.936 477 Q CA 1.380 57.182 55.803 -0.002 0.000 0.886 477 Q CB 0.306 29.071 28.738 0.046 0.000 0.986 477 Q HN 0.561 nan 8.270 nan 0.000 0.487 478 T N -4.407 110.164 114.554 0.029 0.000 3.037 478 T HA 0.221 4.575 4.350 0.007 0.000 0.251 478 T C 1.576 176.308 174.700 0.052 0.000 1.079 478 T CA 0.475 62.625 62.100 0.082 0.000 1.067 478 T CB 0.307 69.284 68.868 0.182 0.000 0.948 478 T HN 0.329 nan 8.240 nan 0.000 0.496 479 G N 0.980 109.771 108.800 -0.016 0.000 2.180 479 G HA2 -0.266 3.699 3.960 0.007 0.000 0.263 479 G HA3 -0.266 3.699 3.960 0.007 0.000 0.263 479 G C 0.152 175.145 174.900 0.156 0.000 0.989 479 G CA 0.594 45.660 45.100 -0.057 0.000 0.692 479 G HN 1.031 nan 8.290 nan 0.000 0.526 480 S N -1.748 114.096 115.700 0.241 0.000 2.501 480 S HA 0.499 4.973 4.470 0.007 0.000 0.301 480 S C 1.077 175.629 174.600 -0.080 0.000 1.096 480 S CA -0.003 58.272 58.200 0.125 0.000 1.063 480 S CB 1.336 64.561 63.200 0.043 0.000 1.042 480 S HN 0.540 nan 8.310 nan 0.000 0.494 481 c N 3.895 122.290 118.600 -0.341 0.000 2.625 481 c HA 0.316 4.890 4.570 0.007 0.000 0.285 481 c C 0.840 174.412 174.090 -0.864 0.000 1.279 481 c CA -0.280 55.497 56.329 -0.920 0.000 1.698 481 c CB -1.710 40.450 42.510 -0.583 0.000 1.821 481 c HN 0.689 nan 8.230 nan 0.000 0.600 482 K N 1.067 121.192 120.400 -0.459 0.000 2.180 482 K HA 0.169 4.493 4.320 0.007 0.000 0.250 482 K C 0.170 176.703 176.600 -0.111 0.000 1.135 482 K CA -0.283 55.870 56.287 -0.223 0.000 1.037 482 K CB 0.039 32.492 32.500 -0.077 0.000 1.624 482 K HN 0.237 nan 8.250 nan 0.000 0.382 483 F N 1.472 121.439 119.950 0.029 0.000 2.234 483 F HA -0.163 4.368 4.527 0.007 0.000 0.299 483 F C 2.058 177.944 175.800 0.144 0.000 1.087 483 F CA 1.042 59.069 58.000 0.045 0.000 1.340 483 F CB -0.246 38.777 39.000 0.039 0.000 1.031 483 F HN 0.494 nan 8.300 nan 0.000 0.500 484 D N -0.097 120.491 120.400 0.313 0.000 2.363 484 D HA -0.118 4.527 4.640 0.007 0.000 0.226 484 D C 1.257 177.685 176.300 0.214 0.000 1.020 484 D CA 0.694 54.855 54.000 0.269 0.000 0.892 484 D CB -0.401 40.517 40.800 0.197 0.000 0.900 484 D HN 0.276 nan 8.370 nan 0.000 0.531 485 K N -1.263 119.245 120.400 0.180 0.000 2.355 485 K HA 0.124 4.449 4.320 0.007 0.000 0.198 485 K C 1.127 177.778 176.600 0.085 0.000 1.039 485 K CA -0.353 56.002 56.287 0.113 0.000 1.075 485 K CB 0.265 32.800 32.500 0.058 0.000 0.870 485 K HN -0.009 nan 8.250 nan 0.000 0.540 486 F N 1.015 120.949 119.950 -0.026 0.000 2.094 486 F HA 0.061 4.593 4.527 0.007 0.000 0.291 486 F C 0.383 176.039 175.800 -0.240 0.000 1.109 486 F CA 0.897 58.774 58.000 -0.204 0.000 1.221 486 F CB 0.217 38.999 39.000 -0.364 0.000 1.014 486 F HN -0.242 nan 8.300 nan 0.000 0.473 487 F N 1.052 121.210 119.950 0.347 0.000 2.412 487 F HA 0.165 4.696 4.527 0.007 0.000 0.348 487 F C 1.768 177.651 175.800 0.139 0.000 1.102 487 F CA -0.117 58.027 58.000 0.239 0.000 1.196 487 F CB 0.729 39.922 39.000 0.323 0.000 1.144 487 F HN -0.003 nan 8.300 nan 0.000 0.541 488 S N 1.398 117.246 115.700 0.247 0.000 2.359 488 S HA -0.142 4.332 4.470 0.007 0.000 0.224 488 S C 0.391 175.092 174.600 0.169 0.000 1.035 488 S CA 0.936 59.225 58.200 0.147 0.000 1.018 488 S CB -0.249 63.014 63.200 0.104 0.000 0.876 488 S HN 0.754 nan 8.310 nan 0.000 0.448 489 Q N -0.837 119.086 119.800 0.205 0.000 2.418 489 Q HA 0.717 5.061 4.340 0.007 0.000 0.282 489 Q C -1.648 174.481 176.000 0.216 0.000 1.044 489 Q CA -0.536 55.377 55.803 0.182 0.000 0.813 489 Q CB 2.591 31.404 28.738 0.125 0.000 1.428 489 Q HN 0.349 nan 8.270 nan 0.000 0.402 490 S N -0.128 115.700 115.700 0.214 0.000 2.643 490 S HA 0.561 5.036 4.470 0.007 0.000 0.270 490 S C -1.793 172.938 174.600 0.218 0.000 1.166 490 S CA -0.615 57.724 58.200 0.233 0.000 0.815 490 S CB 1.709 65.132 63.200 0.371 0.000 1.139 490 S HN 0.700 nan 8.310 nan 0.000 0.472 491 c N 1.921 120.669 118.600 0.246 0.000 2.346 491 c HA 0.871 5.445 4.570 0.007 0.000 0.326 491 c C -0.556 173.703 174.090 0.282 0.000 1.224 491 c CA -0.081 56.386 56.329 0.229 0.000 1.408 491 c CB -0.645 42.023 42.510 0.264 0.000 2.089 491 c HN 0.987 nan 8.230 nan 0.000 0.456 492 A N 7.614 130.556 122.820 0.203 0.000 2.876 492 A HA 0.639 4.963 4.320 0.007 0.000 0.309 492 A C -2.939 174.665 177.584 0.033 0.000 1.168 492 A CA -0.892 51.226 52.037 0.136 0.000 0.762 492 A CB 0.389 19.414 19.000 0.042 0.000 1.262 492 A HN 0.671 nan 8.150 nan 0.000 0.435 493 P HA 0.269 nan 4.420 nan 0.000 0.263 493 P C 1.264 178.584 177.300 0.032 0.000 1.175 493 P CA 2.343 65.510 63.100 0.112 0.000 0.761 493 P CB 0.787 32.671 31.700 0.308 0.000 0.794 494 G N 1.225 110.021 108.800 -0.006 0.000 2.259 494 G HA2 -0.126 3.839 3.960 0.007 0.000 0.217 494 G HA3 -0.126 3.839 3.960 0.007 0.000 0.217 494 G C 0.511 175.355 174.900 -0.093 0.000 1.001 494 G CA 0.028 45.098 45.100 -0.050 0.000 0.627 494 G HN 0.822 nan 8.290 nan 0.000 0.501 495 A N 0.265 123.021 122.820 -0.107 0.000 2.325 495 A HA 0.527 4.851 4.320 0.007 0.000 0.260 495 A C 0.389 177.955 177.584 -0.030 0.000 1.133 495 A CA 0.834 52.819 52.037 -0.087 0.000 0.801 495 A CB -0.074 18.891 19.000 -0.058 0.000 1.092 495 A HN 0.843 nan 8.150 nan 0.000 0.504 496 D N -0.058 120.339 120.400 -0.006 0.000 2.401 496 D HA 0.176 4.820 4.640 0.007 0.000 0.254 496 D C -1.231 175.077 176.300 0.012 0.000 1.192 496 D CA -1.079 52.924 54.000 0.006 0.000 0.885 496 D CB 0.710 41.522 40.800 0.019 0.000 1.147 496 D HN 0.163 nan 8.370 nan 0.000 0.478 497 P HA -0.211 nan 4.420 nan 0.000 0.220 497 P C 0.081 177.389 177.300 0.014 0.000 1.144 497 P CA 1.335 64.439 63.100 0.006 0.000 0.800 497 P CB 0.091 31.790 31.700 -0.002 0.000 0.772 498 Q N -0.255 119.556 119.800 0.018 0.000 2.188 498 Q HA 0.181 4.526 4.340 0.007 0.000 0.212 498 Q C 0.591 176.611 176.000 0.034 0.000 0.846 498 Q CA -0.250 55.566 55.803 0.022 0.000 0.989 498 Q CB 0.174 28.922 28.738 0.016 0.000 1.114 498 Q HN 0.195 nan 8.270 nan 0.000 0.488 499 S N -0.502 115.225 115.700 0.045 0.000 2.638 499 S HA 0.284 4.759 4.470 0.007 0.000 0.298 499 S C 1.141 175.791 174.600 0.083 0.000 1.111 499 S CA -0.264 57.975 58.200 0.065 0.000 1.027 499 S CB 1.683 64.928 63.200 0.075 0.000 1.064 499 S HN 0.196 nan 8.310 nan 0.000 0.525 500 S N 1.464 117.225 115.700 0.102 0.000 2.420 500 S HA -0.136 4.339 4.470 0.007 0.000 0.237 500 S C 1.704 176.398 174.600 0.157 0.000 1.023 500 S CA 1.151 59.425 58.200 0.124 0.000 0.991 500 S CB -1.046 62.238 63.200 0.139 0.000 0.792 500 S HN 0.665 nan 8.310 nan 0.000 0.488 501 L N 0.229 121.557 121.223 0.174 0.000 2.191 501 L HA -0.065 4.280 4.340 0.007 0.000 0.212 501 L C 1.762 178.722 176.870 0.151 0.000 1.103 501 L CA 0.633 55.594 54.840 0.201 0.000 0.769 501 L CB -0.562 41.613 42.059 0.193 0.000 0.908 501 L HN 0.440 nan 8.230 nan 0.000 0.438 502 c N -0.566 118.096 118.600 0.104 0.000 2.688 502 c HA 0.338 4.913 4.570 0.007 0.000 0.297 502 c C 2.531 176.660 174.090 0.066 0.000 1.308 502 c CA -0.085 56.289 56.329 0.074 0.000 1.726 502 c CB -1.028 41.508 42.510 0.042 0.000 1.982 502 c HN 0.505 nan 8.230 nan 0.000 0.604 503 A N 0.823 123.695 122.820 0.087 0.000 1.929 503 A HA 0.012 4.336 4.320 0.007 0.000 0.216 503 A C 1.797 179.416 177.584 0.059 0.000 1.176 503 A CA 1.307 53.386 52.037 0.070 0.000 0.628 503 A CB -0.260 18.792 19.000 0.086 0.000 0.816 503 A HN 0.611 nan 8.150 nan 0.000 0.444 504 L N -0.427 120.849 121.223 0.088 0.000 2.592 504 L HA 0.097 4.441 4.340 0.007 0.000 0.227 504 L C 0.243 177.133 176.870 0.034 0.000 1.127 504 L CA -0.705 54.191 54.840 0.094 0.000 0.884 504 L CB -0.448 41.707 42.059 0.159 0.000 1.065 504 L HN 0.245 nan 8.230 nan 0.000 0.457 505 c N 0.203 118.805 118.600 0.003 0.000 2.689 505 c HA 0.122 4.697 4.570 0.007 0.000 0.409 505 c C 1.854 175.776 174.090 -0.281 0.000 1.293 505 c CA -0.438 55.822 56.329 -0.115 0.000 2.136 505 c CB 1.331 43.834 42.510 -0.012 0.000 2.719 505 c HN 0.237 nan 8.230 nan 0.000 0.644 506 V N 1.505 121.137 119.914 -0.469 0.000 3.556 506 V HA 0.374 4.498 4.120 0.007 0.000 0.287 506 V C 1.193 177.154 176.094 -0.221 0.000 1.422 506 V CA 0.844 62.907 62.300 -0.395 0.000 1.038 506 V CB -1.083 30.374 31.823 -0.610 0.000 0.850 506 V HN 1.462 nan 8.190 nan 0.000 0.437 507 G N 2.573 111.276 108.800 -0.161 0.000 2.697 507 G HA2 -0.291 3.673 3.960 0.007 0.000 0.240 507 G HA3 -0.291 3.673 3.960 0.007 0.000 0.240 507 G C -0.082 174.772 174.900 -0.077 0.000 1.346 507 G CA 0.189 45.234 45.100 -0.092 0.000 0.887 507 G HN 0.845 nan 8.290 nan 0.000 0.569 508 N N -0.214 118.457 118.700 -0.048 0.000 2.328 508 N HA 0.242 4.986 4.740 0.007 0.000 0.277 508 N C 1.342 176.835 175.510 -0.028 0.000 1.286 508 N CA 0.380 53.413 53.050 -0.028 0.000 0.949 508 N CB 0.117 38.593 38.487 -0.018 0.000 1.136 508 N HN 0.497 nan 8.380 nan 0.000 0.550 509 N N -0.608 118.087 118.700 -0.008 0.000 2.149 509 N HA -0.146 4.599 4.740 0.007 0.000 0.188 509 N C 0.092 175.598 175.510 -0.008 0.000 1.019 509 N CA 1.013 54.062 53.050 -0.002 0.000 0.857 509 N CB -0.228 38.268 38.487 0.015 0.000 0.997 509 N HN 0.668 nan 8.380 nan 0.000 0.426 510 E N 1.092 121.286 120.200 -0.010 0.000 2.335 510 E HA 0.103 4.458 4.350 0.007 0.000 0.191 510 E C -0.473 176.115 176.600 -0.020 0.000 1.077 510 E CA -0.225 56.169 56.400 -0.011 0.000 1.010 510 E CB -0.266 29.430 29.700 -0.007 0.000 1.141 510 E HN 0.228 nan 8.360 nan 0.000 0.452 511 N N 1.882 120.563 118.700 -0.031 0.000 2.708 511 N HA -0.173 4.571 4.740 0.007 0.000 0.249 511 N C -0.465 175.021 175.510 -0.040 0.000 1.097 511 N CA 0.915 53.938 53.050 -0.045 0.000 0.710 511 N CB -0.517 37.944 38.487 -0.044 0.000 1.032 511 N HN 0.391 nan 8.380 nan 0.000 0.551 512 E N 0.544 120.723 120.200 -0.034 0.000 2.239 512 E HA 0.292 4.647 4.350 0.007 0.000 0.261 512 E C 0.453 177.031 176.600 -0.037 0.000 1.016 512 E CA -0.696 55.685 56.400 -0.031 0.000 0.882 512 E CB 0.575 30.261 29.700 -0.024 0.000 1.190 512 E HN 0.201 nan 8.360 nan 0.000 0.415 513 N N 0.866 119.545 118.700 -0.035 0.000 2.727 513 N HA -0.196 4.548 4.740 0.007 0.000 0.251 513 N C -0.553 174.931 175.510 -0.044 0.000 1.040 513 N CA 0.490 53.516 53.050 -0.040 0.000 0.712 513 N CB -0.787 37.673 38.487 -0.044 0.000 0.912 513 N HN 0.263 nan 8.380 nan 0.000 0.545 514 K N 0.293 120.668 120.400 -0.042 0.000 2.322 514 K HA 0.286 4.610 4.320 0.007 0.000 0.283 514 K C 0.780 177.363 176.600 -0.028 0.000 1.042 514 K CA 0.141 56.400 56.287 -0.046 0.000 0.958 514 K CB 0.700 33.172 32.500 -0.046 0.000 0.984 514 K HN 0.503 nan 8.250 nan 0.000 0.473 515 c N 2.878 121.469 118.600 -0.015 0.000 5.189 515 c HA -0.208 4.366 4.570 0.007 0.000 0.253 515 c C 0.519 174.612 174.090 0.005 0.000 1.601 515 c CA 0.505 56.840 56.329 0.010 0.000 1.533 515 c CB -2.204 40.311 42.510 0.008 0.000 2.164 515 c HN 1.022 nan 8.230 nan 0.000 0.604 516 M N 3.022 122.607 119.600 -0.025 0.000 2.251 516 M HA 0.215 4.699 4.480 0.007 0.000 0.343 516 M C -1.542 174.705 176.300 -0.088 0.000 1.245 516 M CA -0.197 55.066 55.300 -0.062 0.000 1.061 516 M CB 0.527 33.075 32.600 -0.087 0.000 1.723 516 M HN 0.233 nan 8.290 nan 0.000 0.449 517 P HA 0.189 nan 4.420 nan 0.000 0.225 517 P C -1.909 174.992 177.300 -0.666 0.000 1.813 517 P CA -0.066 62.964 63.100 -0.117 0.000 1.013 517 P CB -0.761 30.957 31.700 0.030 0.000 1.961 518 N N -1.201 116.819 118.700 -1.133 0.000 3.116 518 N HA 0.037 4.781 4.740 0.007 0.000 0.244 518 N C 0.687 175.663 175.510 -0.888 0.000 1.485 518 N CA -0.591 51.772 53.050 -1.145 0.000 0.884 518 N CB -0.111 38.096 38.487 -0.467 0.000 1.415 518 N HN -0.194 nan 8.380 nan 0.000 0.524 519 S N -0.909 114.542 115.700 -0.415 0.000 2.440 519 S HA -0.211 4.263 4.470 0.007 0.000 0.240 519 S C 1.025 175.613 174.600 -0.020 0.000 1.014 519 S CA 1.085 59.253 58.200 -0.054 0.000 0.980 519 S CB -0.586 62.643 63.200 0.049 0.000 0.775 519 S HN 0.607 nan 8.310 nan 0.000 0.499 520 E N 1.346 121.500 120.200 -0.078 0.000 2.130 520 E HA -0.149 4.205 4.350 0.007 0.000 0.196 520 E C 0.871 177.458 176.600 -0.022 0.000 0.998 520 E CA 1.176 57.550 56.400 -0.043 0.000 0.806 520 E CB -0.255 29.405 29.700 -0.066 0.000 0.738 520 E HN 0.781 nan 8.360 nan 0.000 0.459 521 E N 1.121 121.309 120.200 -0.021 0.000 2.166 521 E HA 0.005 4.359 4.350 0.007 0.000 0.279 521 E C 0.510 177.168 176.600 0.096 0.000 1.095 521 E CA 0.059 56.473 56.400 0.024 0.000 0.888 521 E CB 0.406 30.140 29.700 0.057 0.000 1.041 521 E HN -0.073 nan 8.360 nan 0.000 0.414 522 R N 3.315 123.846 120.500 0.052 0.000 2.249 522 R HA -0.142 4.202 4.340 0.007 0.000 0.230 522 R C 0.406 176.854 176.300 0.247 0.000 1.121 522 R CA 1.016 57.179 56.100 0.105 0.000 0.997 522 R CB -0.073 30.255 30.300 0.046 0.000 0.867 522 R HN 0.588 nan 8.270 nan 0.000 0.465 523 Y N -1.503 118.791 120.300 -0.010 0.000 2.457 523 Y HA 0.086 4.641 4.550 0.007 0.000 0.263 523 Y C 0.189 176.111 175.900 0.037 0.000 1.164 523 Y CA -1.516 56.565 58.100 -0.031 0.000 1.274 523 Y CB -0.641 37.798 38.460 -0.036 0.000 1.097 523 Y HN -0.017 nan 8.280 nan 0.000 0.523 524 Y N 0.926 121.295 120.300 0.114 0.000 2.379 524 Y HA 0.423 4.977 4.550 0.007 0.000 0.337 524 Y C 1.043 176.972 175.900 0.048 0.000 1.238 524 Y CA 0.849 58.988 58.100 0.065 0.000 1.405 524 Y CB 0.310 38.794 38.460 0.039 0.000 1.310 524 Y HN 0.352 nan 8.280 nan 0.000 0.569 525 G N 3.247 111.568 108.800 -0.798 0.000 2.782 525 G HA2 -0.335 3.630 3.960 0.007 0.000 0.228 525 G HA3 -0.335 3.630 3.960 0.007 0.000 0.228 525 G C -0.196 174.550 174.900 -0.257 0.000 1.372 525 G CA 0.103 44.865 45.100 -0.563 0.000 0.862 525 G HN 0.792 nan 8.290 nan 0.000 0.547 526 Y N 0.211 120.458 120.300 -0.089 0.000 2.145 526 Y HA -0.094 4.461 4.550 0.007 0.000 0.286 526 Y C 3.445 179.342 175.900 -0.006 0.000 1.145 526 Y CA 2.525 60.599 58.100 -0.042 0.000 1.148 526 Y CB -0.822 37.597 38.460 -0.068 0.000 0.981 526 Y HN 0.614 nan 8.280 nan 0.000 0.507 527 T N -0.661 114.017 114.554 0.206 0.000 2.674 527 T HA -0.156 4.198 4.350 0.007 0.000 0.265 527 T C 2.300 177.038 174.700 0.063 0.000 1.039 527 T CA 1.529 63.737 62.100 0.180 0.000 1.150 527 T CB -1.052 67.938 68.868 0.203 0.000 0.864 527 T HN 0.573 nan 8.240 nan 0.000 0.427 528 G N 1.087 109.892 108.800 0.008 0.000 2.442 528 G HA2 -0.083 3.882 3.960 0.007 0.000 0.219 528 G HA3 -0.083 3.882 3.960 0.007 0.000 0.219 528 G C 1.821 176.602 174.900 -0.199 0.000 1.141 528 G CA 1.004 46.054 45.100 -0.084 0.000 0.763 528 G HN 0.584 nan 8.290 nan 0.000 0.554 529 A N 0.341 123.103 122.820 -0.097 0.000 1.902 529 A HA 0.060 4.385 4.320 0.007 0.000 0.217 529 A C 2.174 179.668 177.584 -0.149 0.000 1.181 529 A CA 1.606 53.575 52.037 -0.113 0.000 0.623 529 A CB -0.549 18.434 19.000 -0.028 0.000 0.818 529 A HN 0.390 nan 8.150 nan 0.000 0.443 530 F N 0.563 120.388 119.950 -0.209 0.000 2.134 530 F HA -0.115 4.416 4.527 0.007 0.000 0.299 530 F C 2.321 177.942 175.800 -0.297 0.000 1.097 530 F CA 1.822 59.690 58.000 -0.219 0.000 1.264 530 F CB -0.350 38.573 39.000 -0.128 0.000 1.001 530 F HN 0.217 nan 8.300 nan 0.000 0.479 531 R N -0.337 119.869 120.500 -0.491 0.000 2.083 531 R HA -0.248 4.096 4.340 0.007 0.000 0.237 531 R C 2.628 178.414 176.300 -0.856 0.000 1.137 531 R CA 1.850 57.410 56.100 -0.900 0.000 0.951 531 R CB -1.295 28.244 30.300 -1.269 0.000 0.851 531 R HN 0.546 nan 8.270 nan 0.000 0.434 532 c N 0.640 118.606 118.600 -1.058 0.000 2.403 532 c HA -0.117 4.458 4.570 0.007 0.000 0.277 532 c C 2.527 176.303 174.090 -0.523 0.000 1.248 532 c CA 0.957 56.600 56.329 -1.144 0.000 1.762 532 c CB -1.135 40.831 42.510 -0.907 0.000 2.014 532 c HN 0.660 nan 8.230 nan 0.000 0.486 533 L N 1.830 122.777 121.223 -0.460 0.000 2.095 533 L HA 0.217 4.561 4.340 0.007 0.000 0.204 533 L C 2.620 179.347 176.870 -0.237 0.000 1.080 533 L CA 2.424 57.081 54.840 -0.306 0.000 0.759 533 L CB -1.198 40.673 42.059 -0.313 0.000 0.914 533 L HN 0.327 nan 8.230 nan 0.000 0.439 534 A N -0.351 122.245 122.820 -0.374 0.000 1.858 534 A HA -0.186 4.138 4.320 0.007 0.000 0.216 534 A C 1.925 179.493 177.584 -0.027 0.000 1.190 534 A CA 1.641 53.602 52.037 -0.126 0.000 0.617 534 A CB -0.747 18.193 19.000 -0.100 0.000 0.827 534 A HN 0.619 nan 8.150 nan 0.000 0.443 535 E N 0.099 120.249 120.200 -0.084 0.000 2.505 535 E HA -0.016 4.338 4.350 0.007 0.000 0.197 535 E C -0.427 176.176 176.600 0.005 0.000 1.111 535 E CA 0.343 56.744 56.400 0.002 0.000 0.887 535 E CB -0.303 29.408 29.700 0.019 0.000 0.913 535 E HN 0.559 nan 8.360 nan 0.000 0.517 536 K N -1.121 119.262 120.400 -0.027 0.000 3.016 536 K HA -0.268 4.056 4.320 0.007 0.000 0.262 536 K C 0.869 177.474 176.600 0.007 0.000 1.043 536 K CA 0.352 56.633 56.287 -0.011 0.000 0.761 536 K CB -1.410 31.095 32.500 0.007 0.000 1.230 536 K HN 0.296 nan 8.250 nan 0.000 0.485 537 A N 0.196 123.023 122.820 0.011 0.000 2.123 537 A HA 0.259 4.583 4.320 0.007 0.000 0.214 537 A C 1.027 178.638 177.584 0.044 0.000 1.152 537 A CA 1.273 53.358 52.037 0.080 0.000 0.728 537 A CB 0.358 19.508 19.000 0.249 0.000 0.814 537 A HN 0.479 nan 8.150 nan 0.000 0.464 538 G N -2.030 106.755 108.800 -0.025 0.000 2.694 538 G HA2 0.476 4.440 3.960 0.007 0.000 0.290 538 G HA3 0.476 4.440 3.960 0.007 0.000 0.290 538 G C -0.748 174.116 174.900 -0.061 0.000 1.386 538 G CA -0.123 44.950 45.100 -0.044 0.000 0.872 538 G HN -0.057 nan 8.290 nan 0.000 0.475 539 D N -1.194 119.170 120.400 -0.060 0.000 2.423 539 D HA 0.119 4.764 4.640 0.007 0.000 0.212 539 D C 0.305 176.558 176.300 -0.078 0.000 1.060 539 D CA 0.517 54.494 54.000 -0.039 0.000 0.872 539 D CB 1.884 42.690 40.800 0.011 0.000 1.012 539 D HN 0.179 nan 8.370 nan 0.000 0.503 540 V N 0.432 120.233 119.914 -0.188 0.000 2.760 540 V HA 0.707 4.831 4.120 0.007 0.000 0.309 540 V C -1.690 174.075 176.094 -0.549 0.000 1.077 540 V CA -0.711 61.395 62.300 -0.325 0.000 0.910 540 V CB 1.876 33.499 31.823 -0.333 0.000 1.008 540 V HN 0.078 nan 8.190 nan 0.000 0.424 541 A N 5.911 128.413 122.820 -0.530 0.000 2.343 541 A HA 0.871 5.195 4.320 0.007 0.000 0.316 541 A C -1.346 175.926 177.584 -0.519 0.000 1.104 541 A CA -0.386 51.374 52.037 -0.461 0.000 0.768 541 A CB 1.018 19.901 19.000 -0.194 0.000 1.213 541 A HN 0.729 nan 8.150 nan 0.000 0.456 542 F N 2.765 122.682 119.950 -0.056 0.000 2.334 542 F HA 0.510 5.042 4.527 0.007 0.000 0.367 542 F C 0.594 176.445 175.800 0.086 0.000 1.115 542 F CA -0.232 57.793 58.000 0.041 0.000 1.116 542 F CB 1.445 40.478 39.000 0.056 0.000 1.230 542 F HN 0.552 nan 8.300 nan 0.000 0.484 543 V N 0.048 120.104 119.914 0.236 0.000 3.080 543 V HA 0.656 4.781 4.120 0.007 0.000 0.311 543 V C -1.074 175.169 176.094 0.248 0.000 1.389 543 V CA -1.584 60.876 62.300 0.267 0.000 1.049 543 V CB 2.047 33.987 31.823 0.195 0.000 1.078 543 V HN 0.502 nan 8.190 nan 0.000 0.468 544 K N 0.059 120.583 120.400 0.207 0.000 2.110 544 K HA 0.422 4.746 4.320 0.007 0.000 0.263 544 K C 0.551 177.132 176.600 -0.032 0.000 0.975 544 K CA 0.137 56.480 56.287 0.093 0.000 0.895 544 K CB 1.552 34.016 32.500 -0.061 0.000 1.060 544 K HN 0.775 nan 8.250 nan 0.000 0.448 545 D N 2.220 122.613 120.400 -0.013 0.000 2.157 545 D HA -0.240 4.404 4.640 0.007 0.000 0.191 545 D C 1.485 177.705 176.300 -0.133 0.000 1.004 545 D CA 1.435 55.402 54.000 -0.054 0.000 0.854 545 D CB -0.686 40.102 40.800 -0.020 0.000 0.936 545 D HN 0.295 nan 8.370 nan 0.000 0.446 546 V N 0.988 120.805 119.914 -0.161 0.000 2.568 546 V HA -0.222 3.902 4.120 0.007 0.000 0.253 546 V C 2.636 178.567 176.094 -0.272 0.000 1.072 546 V CA 2.123 64.300 62.300 -0.205 0.000 1.084 546 V CB -0.830 30.866 31.823 -0.211 0.000 0.676 546 V HN 0.355 nan 8.190 nan 0.000 0.469 547 T N -0.142 114.222 114.554 -0.317 0.000 2.759 547 T HA -0.173 4.181 4.350 0.007 0.000 0.269 547 T C 1.889 176.236 174.700 -0.589 0.000 1.042 547 T CA 1.695 63.578 62.100 -0.363 0.000 1.140 547 T CB -0.186 68.528 68.868 -0.257 0.000 0.864 547 T HN 0.356 nan 8.240 nan 0.000 0.455 548 V N 1.739 121.245 119.914 -0.681 0.000 2.244 548 V HA -0.107 4.017 4.120 0.007 0.000 0.244 548 V C 2.533 178.324 176.094 -0.505 0.000 1.042 548 V CA 1.435 63.160 62.300 -0.958 0.000 1.006 548 V CB -0.863 30.634 31.823 -0.544 0.000 0.641 548 V HN 0.443 nan 8.190 nan 0.000 0.446 549 L N -0.146 120.901 121.223 -0.294 0.000 2.089 549 L HA -0.296 4.048 4.340 0.007 0.000 0.213 549 L C 2.471 179.243 176.870 -0.163 0.000 1.079 549 L CA 1.798 56.533 54.840 -0.174 0.000 0.758 549 L CB -0.716 41.265 42.059 -0.131 0.000 0.891 549 L HN 0.453 nan 8.230 nan 0.000 0.433 550 Q N -0.645 119.035 119.800 -0.200 0.000 2.403 550 Q HA 0.027 4.371 4.340 0.007 0.000 0.203 550 Q C 0.786 176.712 176.000 -0.125 0.000 0.932 550 Q CA 0.252 55.966 55.803 -0.148 0.000 0.945 550 Q CB 0.259 28.910 28.738 -0.146 0.000 1.045 550 Q HN 0.524 nan 8.270 nan 0.000 0.511 551 N N 0.194 118.801 118.700 -0.155 0.000 2.118 551 N HA 0.033 4.777 4.740 0.007 0.000 0.226 551 N C -0.190 175.305 175.510 -0.024 0.000 1.305 551 N CA 0.323 53.329 53.050 -0.073 0.000 0.890 551 N CB 1.434 39.973 38.487 0.087 0.000 1.118 551 N HN 0.165 nan 8.380 nan 0.000 0.511 552 T N -2.216 112.325 114.554 -0.023 0.000 2.940 552 T HA 0.392 4.746 4.350 0.007 0.000 0.288 552 T C -0.212 174.495 174.700 0.012 0.000 1.045 552 T CA -0.268 61.871 62.100 0.065 0.000 1.018 552 T CB 2.044 70.994 68.868 0.138 0.000 1.151 552 T HN -0.115 nan 8.240 nan 0.000 0.529 553 D N -0.128 120.291 120.400 0.032 0.000 2.800 553 D HA -0.125 4.520 4.640 0.007 0.000 0.232 553 D C 1.247 177.534 176.300 -0.022 0.000 1.137 553 D CA 1.971 55.975 54.000 0.007 0.000 0.718 553 D CB -1.654 39.149 40.800 0.004 0.000 1.084 553 D HN 1.550 nan 8.370 nan 0.000 0.432 554 G N -0.456 108.321 108.800 -0.038 0.000 2.186 554 G HA2 -0.491 3.473 3.960 0.007 0.000 0.266 554 G HA3 -0.491 3.473 3.960 0.007 0.000 0.266 554 G C 1.238 176.095 174.900 -0.073 0.000 0.982 554 G CA 1.296 46.358 45.100 -0.063 0.000 0.670 554 G HN 0.536 nan 8.290 nan 0.000 0.533 555 K N -0.241 120.118 120.400 -0.069 0.000 2.147 555 K HA -0.057 4.268 4.320 0.007 0.000 0.205 555 K C 1.129 177.681 176.600 -0.080 0.000 1.049 555 K CA 1.112 57.359 56.287 -0.067 0.000 0.936 555 K CB 0.039 32.499 32.500 -0.065 0.000 0.722 555 K HN 0.540 nan 8.250 nan 0.000 0.446 556 N N 0.368 118.998 118.700 -0.116 0.000 2.469 556 N HA 0.046 4.790 4.740 0.007 0.000 0.253 556 N C -0.198 175.187 175.510 -0.209 0.000 0.970 556 N CA -0.338 52.623 53.050 -0.148 0.000 0.940 556 N CB 0.986 39.359 38.487 -0.190 0.000 1.128 556 N HN -0.024 nan 8.380 nan 0.000 0.503 557 S N 1.588 117.197 115.700 -0.151 0.000 2.634 557 S HA 0.079 4.554 4.470 0.007 0.000 0.221 557 S C 0.388 174.889 174.600 -0.164 0.000 0.952 557 S CA -0.360 57.753 58.200 -0.145 0.000 0.930 557 S CB -0.017 63.135 63.200 -0.081 0.000 0.780 557 S HN 0.631 nan 8.310 nan 0.000 0.498 558 E N 2.547 122.611 120.200 -0.227 0.000 2.414 558 E HA 0.107 4.462 4.350 0.007 0.000 0.263 558 E C -1.585 174.836 176.600 -0.298 0.000 1.000 558 E CA -1.788 54.503 56.400 -0.181 0.000 0.914 558 E CB 0.538 30.186 29.700 -0.087 0.000 0.948 558 E HN 0.061 nan 8.360 nan 0.000 0.444 559 P HA -0.274 nan 4.420 nan 0.000 0.222 559 P C 0.971 178.238 177.300 -0.055 0.000 1.159 559 P CA 1.765 64.846 63.100 -0.032 0.000 0.920 559 P CB -0.204 31.544 31.700 0.080 0.000 0.793 560 W N -0.764 120.564 121.300 0.046 0.000 2.402 560 W HA 0.076 4.741 4.660 0.007 0.000 0.286 560 W C 1.680 178.230 176.519 0.052 0.000 1.221 560 W CA 1.068 58.440 57.345 0.044 0.000 1.257 560 W CB -1.615 27.872 29.460 0.045 0.000 1.120 560 W HN -0.089 nan 8.180 nan 0.000 0.551 561 A N 1.586 123.646 122.820 -1.265 0.000 1.844 561 A HA -0.100 4.224 4.320 0.007 0.000 0.212 561 A C 2.093 179.428 177.584 -0.416 0.000 1.221 561 A CA 1.960 53.350 52.037 -1.077 0.000 0.607 561 A CB -1.135 16.982 19.000 -1.472 0.000 0.878 561 A HN 0.184 nan 8.150 nan 0.000 0.451 562 K N -0.714 119.467 120.400 -0.364 0.000 2.413 562 K HA -0.357 3.967 4.320 0.007 0.000 0.205 562 K C 0.827 177.368 176.600 -0.099 0.000 0.830 562 K CA 2.580 58.758 56.287 -0.181 0.000 0.991 562 K CB -0.731 31.689 32.500 -0.133 0.000 1.171 562 K HN 0.520 nan 8.250 nan 0.000 0.553 563 D N 0.663 121.025 120.400 -0.063 0.000 2.349 563 D HA 0.060 4.705 4.640 0.007 0.000 0.224 563 D C 0.456 176.769 176.300 0.022 0.000 1.029 563 D CA 0.322 54.313 54.000 -0.016 0.000 0.879 563 D CB -0.077 40.722 40.800 -0.002 0.000 0.906 563 D HN 0.255 nan 8.370 nan 0.000 0.528 564 L N 0.631 121.879 121.223 0.041 0.000 2.467 564 L HA 0.157 4.501 4.340 0.007 0.000 0.270 564 L C 0.655 177.610 176.870 0.142 0.000 1.205 564 L CA 0.393 55.325 54.840 0.153 0.000 0.828 564 L CB 0.440 42.653 42.059 0.256 0.000 1.101 564 L HN -0.342 nan 8.230 nan 0.000 0.479 565 K N 1.159 121.678 120.400 0.199 0.000 2.468 565 K HA 0.233 4.557 4.320 0.007 0.000 0.252 565 K C 0.036 176.780 176.600 0.241 0.000 0.932 565 K CA -0.664 55.712 56.287 0.148 0.000 0.794 565 K CB 2.149 34.690 32.500 0.069 0.000 1.241 565 K HN 0.449 nan 8.250 nan 0.000 0.428 566 Q N 1.166 121.078 119.800 0.186 0.000 2.368 566 Q HA -0.188 4.157 4.340 0.007 0.000 0.210 566 Q C 0.774 176.884 176.000 0.184 0.000 0.982 566 Q CA 1.169 57.095 55.803 0.206 0.000 0.884 566 Q CB 0.135 28.930 28.738 0.096 0.000 0.933 566 Q HN 0.478 nan 8.270 nan 0.000 0.460 567 E N 0.886 121.151 120.200 0.109 0.000 2.216 567 E HA -0.116 4.238 4.350 0.007 0.000 0.192 567 E C 1.012 177.609 176.600 -0.005 0.000 0.988 567 E CA 0.619 57.049 56.400 0.050 0.000 0.834 567 E CB -0.140 29.573 29.700 0.020 0.000 0.772 567 E HN 0.349 nan 8.360 nan 0.000 0.479 568 D N -0.004 120.354 120.400 -0.069 0.000 2.350 568 D HA -0.011 4.634 4.640 0.007 0.000 0.216 568 D C -0.237 175.691 176.300 -0.620 0.000 0.968 568 D CA 0.585 54.367 54.000 -0.364 0.000 0.894 568 D CB -0.053 40.422 40.800 -0.541 0.000 0.909 568 D HN 0.086 nan 8.370 nan 0.000 0.520 569 F N 0.505 120.500 119.950 0.076 0.000 2.532 569 F HA 0.388 4.919 4.527 0.007 0.000 0.321 569 F C 0.656 176.497 175.800 0.068 0.000 1.089 569 F CA -0.844 57.211 58.000 0.092 0.000 0.926 569 F CB 1.845 40.951 39.000 0.175 0.000 1.168 569 F HN -0.385 nan 8.300 nan 0.000 0.459 570 E N 2.462 122.815 120.200 0.254 0.000 2.392 570 E HA 0.636 4.991 4.350 0.007 0.000 0.269 570 E C -1.413 175.278 176.600 0.152 0.000 0.924 570 E CA -1.000 55.493 56.400 0.156 0.000 0.784 570 E CB 3.126 32.883 29.700 0.096 0.000 1.292 570 E HN 0.400 nan 8.360 nan 0.000 0.447 571 L N 1.446 122.734 121.223 0.109 0.000 2.331 571 L HA 0.501 4.846 4.340 0.007 0.000 0.275 571 L C -0.482 176.441 176.870 0.088 0.000 1.022 571 L CA -0.976 53.920 54.840 0.095 0.000 0.812 571 L CB 0.943 43.045 42.059 0.073 0.000 1.257 571 L HN 0.295 nan 8.230 nan 0.000 0.435 572 L N 1.967 123.252 121.223 0.104 0.000 2.257 572 L HA 0.368 4.713 4.340 0.007 0.000 0.290 572 L C -0.474 176.415 176.870 0.031 0.000 1.044 572 L CA -0.488 54.430 54.840 0.129 0.000 0.810 572 L CB 1.140 43.361 42.059 0.270 0.000 1.193 572 L HN 0.666 nan 8.230 nan 0.000 0.425 573 c N 3.187 121.787 118.600 0.000 0.000 2.466 573 c HA 0.190 4.765 4.570 0.007 0.000 0.379 573 c C 2.092 176.085 174.090 -0.161 0.000 1.251 573 c CA -0.757 55.515 56.329 -0.095 0.000 2.263 573 c CB 0.883 43.353 42.510 -0.067 0.000 2.511 573 c HN 0.832 nan 8.230 nan 0.000 0.573 574 L N 1.560 122.602 121.223 -0.301 0.000 2.263 574 L HA -0.151 4.194 4.340 0.007 0.000 0.216 574 L C 1.677 178.468 176.870 -0.132 0.000 1.111 574 L CA 1.442 56.048 54.840 -0.390 0.000 0.773 574 L CB -0.347 41.493 42.059 -0.364 0.000 0.906 574 L HN 0.818 nan 8.230 nan 0.000 0.439 575 D N -0.908 119.452 120.400 -0.067 0.000 2.538 575 D HA 0.117 4.761 4.640 0.007 0.000 0.234 575 D C 1.354 177.683 176.300 0.048 0.000 1.191 575 D CA 0.422 54.422 54.000 0.000 0.000 0.828 575 D CB -0.003 40.786 40.800 -0.018 0.000 0.981 575 D HN 0.203 nan 8.370 nan 0.000 0.490 576 G N -0.133 108.726 108.800 0.098 0.000 2.257 576 G HA2 -0.330 3.635 3.960 0.007 0.000 0.267 576 G HA3 -0.330 3.635 3.960 0.007 0.000 0.267 576 G C 0.653 175.607 174.900 0.090 0.000 0.984 576 G CA 0.769 45.945 45.100 0.127 0.000 0.626 576 G HN 0.525 nan 8.290 nan 0.000 0.540 577 T N 0.335 114.921 114.554 0.053 0.000 2.754 577 T HA 0.616 4.971 4.350 0.007 0.000 0.286 577 T C 0.524 175.253 174.700 0.048 0.000 0.997 577 T CA 0.086 62.209 62.100 0.039 0.000 0.982 577 T CB 1.020 69.896 68.868 0.013 0.000 1.027 577 T HN 0.456 nan 8.240 nan 0.000 0.529 578 R N 0.743 121.268 120.500 0.042 0.000 2.538 578 R HA 0.447 4.791 4.340 0.007 0.000 0.292 578 R C -0.982 175.341 176.300 0.038 0.000 1.008 578 R CA -0.978 55.152 56.100 0.050 0.000 0.896 578 R CB 1.451 31.786 30.300 0.059 0.000 1.187 578 R HN 0.337 nan 8.270 nan 0.000 0.440 579 K N 2.330 122.753 120.400 0.039 0.000 2.328 579 K HA 0.515 4.839 4.320 0.007 0.000 0.246 579 K C -2.628 174.000 176.600 0.047 0.000 0.955 579 K CA -2.633 53.675 56.287 0.034 0.000 0.817 579 K CB 1.620 34.134 32.500 0.023 0.000 1.208 579 K HN 0.226 nan 8.250 nan 0.000 0.432 580 P HA 0.012 nan 4.420 nan 0.000 0.271 580 P C 0.963 178.300 177.300 0.061 0.000 1.233 580 P CA -0.289 62.844 63.100 0.056 0.000 0.789 580 P CB 0.476 32.201 31.700 0.042 0.000 0.951 581 V N 0.712 120.673 119.914 0.079 0.000 2.828 581 V HA -0.261 3.863 4.120 0.007 0.000 0.260 581 V C 2.076 178.190 176.094 0.034 0.000 1.101 581 V CA 2.448 64.787 62.300 0.064 0.000 1.123 581 V CB -1.774 30.091 31.823 0.070 0.000 0.704 581 V HN 0.658 nan 8.190 nan 0.000 0.493 582 A N -0.501 122.337 122.820 0.031 0.000 2.072 582 A HA -0.028 4.297 4.320 0.007 0.000 0.216 582 A C 1.908 179.506 177.584 0.022 0.000 1.156 582 A CA 0.588 52.636 52.037 0.019 0.000 0.701 582 A CB -0.160 18.849 19.000 0.015 0.000 0.816 582 A HN 0.532 nan 8.150 nan 0.000 0.458 583 E N 0.334 120.551 120.200 0.029 0.000 2.445 583 E HA 0.173 4.527 4.350 0.007 0.000 0.189 583 E C 1.728 178.352 176.600 0.041 0.000 1.069 583 E CA 0.497 56.914 56.400 0.028 0.000 0.871 583 E CB -0.180 29.533 29.700 0.022 0.000 0.991 583 E HN 0.581 nan 8.360 nan 0.000 0.481 584 A N 1.606 124.457 122.820 0.053 0.000 1.997 584 A HA -0.240 4.085 4.320 0.007 0.000 0.221 584 A C 2.036 179.727 177.584 0.178 0.000 1.172 584 A CA 1.236 53.328 52.037 0.092 0.000 0.645 584 A CB -0.210 18.832 19.000 0.071 0.000 0.813 584 A HN 0.077 nan 8.150 nan 0.000 0.454 585 E N -0.141 120.137 120.200 0.130 0.000 2.265 585 E HA -0.070 4.285 4.350 0.007 0.000 0.196 585 E C 1.095 177.798 176.600 0.172 0.000 0.996 585 E CA 1.113 57.620 56.400 0.178 0.000 0.832 585 E CB -0.064 29.683 29.700 0.078 0.000 0.756 585 E HN 0.520 nan 8.360 nan 0.000 0.491 586 S N -1.106 114.628 115.700 0.057 0.000 2.650 586 S HA 0.106 4.581 4.470 0.007 0.000 0.240 586 S C 0.114 174.648 174.600 -0.110 0.000 1.007 586 S CA -0.354 57.820 58.200 -0.043 0.000 0.984 586 S CB 0.540 63.726 63.200 -0.023 0.000 0.910 586 S HN 0.167 nan 8.310 nan 0.000 0.509 587 c N 4.015 122.561 118.600 -0.091 0.000 3.392 587 c HA 0.392 4.966 4.570 0.007 0.000 0.217 587 c C -0.533 173.530 174.090 -0.046 0.000 1.222 587 c CA -0.457 55.811 56.329 -0.103 0.000 1.200 587 c CB -1.070 41.423 42.510 -0.028 0.000 1.818 587 c HN 0.709 nan 8.230 nan 0.000 0.586 588 H N 0.584 119.619 119.070 -0.059 0.000 2.907 588 H HA 0.519 5.079 4.556 0.007 0.000 0.361 588 H C -0.094 175.167 175.328 -0.111 0.000 1.194 588 H CA -0.844 55.169 56.048 -0.058 0.000 1.152 588 H CB 1.010 30.751 29.762 -0.035 0.000 1.867 588 H HN 0.293 nan 8.280 nan 0.000 0.561 589 L N -0.052 121.211 121.223 0.066 0.000 2.354 589 L HA 0.455 4.799 4.340 0.007 0.000 0.212 589 L C 0.862 177.758 176.870 0.043 0.000 1.091 589 L CA 0.816 55.616 54.840 -0.066 0.000 0.828 589 L CB 0.167 42.167 42.059 -0.098 0.000 0.973 589 L HN 0.780 nan 8.230 nan 0.000 0.461 590 A N 0.220 123.134 122.820 0.156 0.000 2.522 590 A HA 0.603 4.928 4.320 0.007 0.000 0.291 590 A C -1.428 176.074 177.584 -0.137 0.000 1.039 590 A CA -0.709 51.360 52.037 0.055 0.000 0.643 590 A CB 0.951 19.915 19.000 -0.061 0.000 1.310 590 A HN 0.078 nan 8.150 nan 0.000 0.436 591 R N 0.670 121.040 120.500 -0.217 0.000 2.246 591 R HA 0.733 5.077 4.340 0.007 0.000 0.332 591 R C -0.166 175.903 176.300 -0.384 0.000 0.974 591 R CA 0.623 56.529 56.100 -0.323 0.000 0.837 591 R CB 0.951 31.096 30.300 -0.258 0.000 1.145 591 R HN 1.529 nan 8.270 nan 0.000 0.467 592 A N 5.150 127.629 122.820 -0.568 0.000 2.256 592 A HA 0.730 5.054 4.320 0.007 0.000 0.318 592 A C -2.440 174.743 177.584 -0.667 0.000 1.103 592 A CA -2.031 49.575 52.037 -0.719 0.000 0.860 592 A CB 0.663 19.134 19.000 -0.881 0.000 1.182 592 A HN 0.678 nan 8.150 nan 0.000 0.501 593 P HA 0.276 nan 4.420 nan 0.000 0.285 593 P C -0.870 176.430 177.300 -0.001 0.000 1.259 593 P CA -0.429 62.511 63.100 -0.267 0.000 0.794 593 P CB 0.624 32.167 31.700 -0.262 0.000 0.940 594 N N 0.720 119.525 118.700 0.175 0.000 2.344 594 N HA -0.002 4.742 4.740 0.007 0.000 0.236 594 N C 0.295 176.176 175.510 0.618 0.000 1.279 594 N CA 0.274 53.603 53.050 0.465 0.000 0.882 594 N CB -0.201 38.487 38.487 0.336 0.000 1.110 594 N HN 0.493 nan 8.380 nan 0.000 0.436 595 H N -0.421 118.896 119.070 0.413 0.000 2.836 595 H HA 0.405 4.965 4.556 0.007 0.000 0.368 595 H C -0.290 175.231 175.328 0.320 0.000 1.164 595 H CA -0.469 55.797 56.048 0.363 0.000 1.425 595 H CB 0.575 30.521 29.762 0.306 0.000 1.414 595 H HN 0.579 nan 8.280 nan 0.000 0.614 596 A N 1.768 124.810 122.820 0.371 0.000 2.515 596 A HA 0.405 4.729 4.320 0.007 0.000 0.298 596 A C -0.766 176.927 177.584 0.182 0.000 1.059 596 A CA -0.683 51.474 52.037 0.200 0.000 0.698 596 A CB 1.296 20.258 19.000 -0.063 0.000 1.289 596 A HN 0.426 nan 8.150 nan 0.000 0.404 597 V N 1.780 121.812 119.914 0.198 0.000 2.614 597 V HA 0.458 4.582 4.120 0.007 0.000 0.291 597 V C 0.363 176.494 176.094 0.061 0.000 1.049 597 V CA 0.250 62.668 62.300 0.196 0.000 1.038 597 V CB 1.095 33.133 31.823 0.358 0.000 0.980 597 V HN 1.211 nan 8.190 nan 0.000 0.481 598 V N 2.312 122.218 119.914 -0.013 0.000 2.962 598 V HA 1.070 5.194 4.120 0.007 0.000 0.313 598 V C -0.402 175.656 176.094 -0.061 0.000 1.099 598 V CA -0.212 62.073 62.300 -0.025 0.000 0.971 598 V CB 2.001 33.815 31.823 -0.015 0.000 1.028 598 V HN 1.039 nan 8.190 nan 0.000 0.430 599 S N 1.755 117.438 115.700 -0.028 0.000 2.672 599 S HA 0.510 4.985 4.470 0.007 0.000 0.271 599 S C -1.205 173.393 174.600 -0.004 0.000 1.171 599 S CA -1.104 57.079 58.200 -0.029 0.000 0.817 599 S CB 1.553 64.748 63.200 -0.007 0.000 1.150 599 S HN 0.926 nan 8.310 nan 0.000 0.478 600 Q N 1.419 121.220 119.800 0.001 0.000 2.332 600 Q HA 0.225 4.569 4.340 0.007 0.000 0.263 600 Q C 1.358 177.370 176.000 0.021 0.000 0.979 600 Q CA 0.440 56.250 55.803 0.011 0.000 0.885 600 Q CB 1.155 29.899 28.738 0.010 0.000 1.218 600 Q HN 0.932 nan 8.270 nan 0.000 0.405 601 S N 1.492 117.207 115.700 0.024 0.000 2.420 601 S HA -0.259 4.216 4.470 0.007 0.000 0.237 601 S C 1.196 175.815 174.600 0.031 0.000 1.023 601 S CA 1.652 59.870 58.200 0.029 0.000 0.991 601 S CB -0.048 63.169 63.200 0.029 0.000 0.792 601 S HN 0.666 nan 8.310 nan 0.000 0.488 602 D N 1.811 122.228 120.400 0.027 0.000 2.103 602 D HA -0.111 4.534 4.640 0.007 0.000 0.190 602 D C 2.147 178.467 176.300 0.032 0.000 0.997 602 D CA 1.299 55.314 54.000 0.024 0.000 0.833 602 D CB -0.054 40.756 40.800 0.017 0.000 0.961 602 D HN 0.256 nan 8.370 nan 0.000 0.447 603 R N 0.065 120.589 120.500 0.040 0.000 2.297 603 R HA 0.265 4.610 4.340 0.007 0.000 0.197 603 R C 1.927 178.286 176.300 0.099 0.000 0.943 603 R CA 0.582 56.726 56.100 0.073 0.000 1.038 603 R CB -0.299 30.047 30.300 0.077 0.000 0.957 603 R HN 0.164 nan 8.270 nan 0.000 0.484 604 A N 1.466 124.326 122.820 0.066 0.000 1.903 604 A HA -0.279 4.046 4.320 0.007 0.000 0.219 604 A C 2.174 179.795 177.584 0.062 0.000 1.191 604 A CA 1.632 53.703 52.037 0.056 0.000 0.638 604 A CB -0.483 18.541 19.000 0.040 0.000 0.823 604 A HN 0.338 nan 8.150 nan 0.000 0.451 605 Q N -1.637 118.209 119.800 0.076 0.000 2.119 605 Q HA -0.222 4.122 4.340 0.007 0.000 0.201 605 Q C 2.129 178.197 176.000 0.113 0.000 0.972 605 Q CA 1.565 57.417 55.803 0.082 0.000 0.847 605 Q CB -0.274 28.514 28.738 0.082 0.000 0.903 605 Q HN 0.938 nan 8.270 nan 0.000 0.433 606 H N 0.085 119.172 119.070 0.029 0.000 2.276 606 H HA -0.143 4.418 4.556 0.008 0.000 0.301 606 H C 2.153 177.502 175.328 0.036 0.000 1.073 606 H CA 1.221 57.289 56.048 0.033 0.000 1.311 606 H CB -0.115 29.665 29.762 0.029 0.000 1.379 606 H HN 0.272 nan 8.280 nan 0.000 0.494 607 L N 1.629 122.879 121.223 0.046 0.000 2.051 607 L HA -0.238 4.107 4.340 0.007 0.000 0.214 607 L C 2.449 179.286 176.870 -0.056 0.000 1.076 607 L CA 1.855 56.692 54.840 -0.005 0.000 0.758 607 L CB -0.838 41.275 42.059 0.091 0.000 0.890 607 L HN 0.342 nan 8.230 nan 0.000 0.433 608 K N -0.352 119.999 120.400 -0.082 0.000 2.002 608 K HA -0.245 4.079 4.320 0.007 0.000 0.209 608 K C 2.200 178.641 176.600 -0.264 0.000 1.048 608 K CA 1.761 57.903 56.287 -0.243 0.000 0.930 608 K CB -0.043 32.345 32.500 -0.186 0.000 0.714 608 K HN 0.193 nan 8.250 nan 0.000 0.438 609 K N 0.314 120.662 120.400 -0.087 0.000 2.009 609 K HA -0.149 4.175 4.320 0.007 0.000 0.210 609 K C 1.889 178.488 176.600 -0.003 0.000 1.049 609 K CA 1.589 57.886 56.287 0.017 0.000 0.929 609 K CB -0.057 32.463 32.500 0.034 0.000 0.714 609 K HN -0.034 nan 8.250 nan 0.000 0.440 610 V N 1.637 121.481 119.914 -0.116 0.000 2.392 610 V HA -0.251 3.873 4.120 0.007 0.000 0.249 610 V C 2.239 178.359 176.094 0.042 0.000 1.059 610 V CA 1.562 63.816 62.300 -0.076 0.000 1.051 610 V CB -0.330 31.375 31.823 -0.198 0.000 0.658 610 V HN 0.352 nan 8.190 nan 0.000 0.455 611 L N -1.742 119.496 121.223 0.026 0.000 2.156 611 L HA -0.091 4.254 4.340 0.007 0.000 0.208 611 L C 2.372 179.320 176.870 0.129 0.000 1.095 611 L CA 1.201 56.093 54.840 0.086 0.000 0.770 611 L CB -0.438 41.652 42.059 0.052 0.000 0.914 611 L HN 0.267 nan 8.230 nan 0.000 0.439 612 F N 0.121 120.118 119.950 0.078 0.000 2.259 612 F HA -0.116 4.415 4.527 0.008 0.000 0.298 612 F C 2.206 178.025 175.800 0.032 0.000 1.088 612 F CA 0.853 58.884 58.000 0.052 0.000 1.358 612 F CB -0.623 38.404 39.000 0.045 0.000 1.040 612 F HN -0.049 nan 8.300 nan 0.000 0.505 613 L N -0.980 120.378 121.223 0.225 0.000 1.993 613 L HA -0.191 4.154 4.340 0.007 0.000 0.206 613 L C 2.598 179.534 176.870 0.110 0.000 1.074 613 L CA 0.941 55.855 54.840 0.124 0.000 0.746 613 L CB -1.028 41.087 42.059 0.094 0.000 0.896 613 L HN -0.016 nan 8.230 nan 0.000 0.435 614 Q N 0.660 120.570 119.800 0.183 0.000 2.133 614 Q HA -0.300 4.045 4.340 0.007 0.000 0.208 614 Q C 2.148 178.274 176.000 0.210 0.000 0.991 614 Q CA 2.410 58.398 55.803 0.308 0.000 0.867 614 Q CB -0.505 28.506 28.738 0.455 0.000 0.911 614 Q HN 0.738 nan 8.270 nan 0.000 0.417 615 Q N -0.536 119.315 119.800 0.086 0.000 2.389 615 Q HA -0.058 4.286 4.340 0.007 0.000 0.204 615 Q C 0.794 176.775 176.000 -0.033 0.000 0.944 615 Q CA 0.998 56.773 55.803 -0.047 0.000 0.908 615 Q CB 0.145 28.887 28.738 0.006 0.000 1.002 615 Q HN 0.097 nan 8.270 nan 0.000 0.493 616 D N 0.802 121.194 120.400 -0.013 0.000 2.234 616 D HA -0.108 4.536 4.640 0.007 0.000 0.205 616 D C 1.635 177.842 176.300 -0.154 0.000 0.962 616 D CA 0.812 54.777 54.000 -0.058 0.000 0.855 616 D CB 0.207 40.985 40.800 -0.036 0.000 0.951 616 D HN 0.455 nan 8.370 nan 0.000 0.500 617 Q N -1.203 118.434 119.800 -0.272 0.000 2.259 617 Q HA 0.015 4.359 4.340 0.007 0.000 0.201 617 Q C 0.518 176.073 176.000 -0.743 0.000 0.938 617 Q CA 0.628 56.071 55.803 -0.599 0.000 0.872 617 Q CB 0.330 28.524 28.738 -0.906 0.000 0.971 617 Q HN 0.196 nan 8.270 nan 0.000 0.494 618 F N -0.852 119.040 119.950 -0.096 0.000 2.724 618 F HA 0.395 4.927 4.527 0.007 0.000 0.310 618 F C 0.976 176.574 175.800 -0.335 0.000 1.107 618 F CA -0.319 57.590 58.000 -0.152 0.000 1.218 618 F CB 0.314 39.281 39.000 -0.056 0.000 1.042 618 F HN 0.006 nan 8.300 nan 0.000 0.540 619 G N 0.376 109.069 108.800 -0.178 0.000 2.481 619 G HA2 0.300 4.264 3.960 0.007 0.000 0.251 619 G HA3 0.300 4.264 3.960 0.007 0.000 0.251 619 G C 1.446 176.319 174.900 -0.044 0.000 1.492 619 G CA 0.079 45.028 45.100 -0.251 0.000 1.060 619 G HN 0.261 nan 8.290 nan 0.000 0.553 620 G N -0.848 108.037 108.800 0.141 0.000 2.443 620 G HA2 -0.115 3.850 3.960 0.007 0.000 0.219 620 G HA3 -0.115 3.850 3.960 0.007 0.000 0.219 620 G C 1.028 175.938 174.900 0.018 0.000 1.131 620 G CA 0.931 46.090 45.100 0.098 0.000 0.775 620 G HN 0.569 nan 8.290 nan 0.000 0.547 621 N N -0.358 118.342 118.700 -0.001 0.000 2.291 621 N HA 0.285 5.029 4.740 0.007 0.000 0.244 621 N C 0.693 176.176 175.510 -0.046 0.000 1.216 621 N CA -0.239 52.796 53.050 -0.024 0.000 0.879 621 N CB 1.195 39.667 38.487 -0.025 0.000 1.167 621 N HN 0.196 nan 8.380 nan 0.000 0.515 622 G N 1.615 110.382 108.800 -0.056 0.000 2.299 622 G HA2 0.062 4.027 3.960 0.007 0.000 0.256 622 G HA3 0.062 4.027 3.960 0.007 0.000 0.256 622 G C -1.565 173.286 174.900 -0.082 0.000 1.259 622 G CA -0.674 44.370 45.100 -0.094 0.000 0.943 622 G HN 0.029 nan 8.290 nan 0.000 0.479 623 P HA -0.074 nan 4.420 nan 0.000 0.218 623 P C 0.893 178.158 177.300 -0.059 0.000 1.148 623 P CA 1.030 64.084 63.100 -0.077 0.000 0.822 623 P CB 0.369 32.014 31.700 -0.092 0.000 0.784 624 D N -2.361 117.990 120.400 -0.082 0.000 2.358 624 D HA 0.025 4.669 4.640 0.007 0.000 0.224 624 D C 1.428 177.790 176.300 0.103 0.000 1.123 624 D CA -0.071 53.934 54.000 0.008 0.000 0.833 624 D CB -0.861 39.937 40.800 -0.004 0.000 0.946 624 D HN 0.109 nan 8.370 nan 0.000 0.505 625 c N 1.398 120.019 118.600 0.035 0.000 2.786 625 c HA -0.075 4.500 4.570 0.007 0.000 0.290 625 c C -0.423 173.670 174.090 0.005 0.000 1.244 625 c CA 0.926 57.270 56.329 0.025 0.000 1.764 625 c CB -0.908 41.583 42.510 -0.032 0.000 2.097 625 c HN 0.187 nan 8.230 nan 0.000 0.456 626 P HA 0.035 nan 4.420 nan 0.000 0.215 626 P C 1.519 178.824 177.300 0.009 0.000 1.157 626 P CA 2.348 65.439 63.100 -0.016 0.000 0.868 626 P CB -0.537 31.154 31.700 -0.016 0.000 0.788 627 G N 1.279 110.095 108.800 0.026 0.000 2.838 627 G HA2 -0.307 3.658 3.960 0.007 0.000 0.215 627 G HA3 -0.307 3.658 3.960 0.007 0.000 0.215 627 G C 1.336 176.282 174.900 0.077 0.000 1.327 627 G CA 2.062 47.189 45.100 0.045 0.000 0.802 627 G HN 0.425 nan 8.290 nan 0.000 0.658 628 K N -1.939 118.543 120.400 0.138 0.000 2.348 628 K HA 0.428 4.753 4.320 0.007 0.000 0.194 628 K C -0.200 176.570 176.600 0.283 0.000 1.052 628 K CA -0.149 56.252 56.287 0.189 0.000 1.004 628 K CB 0.668 33.289 32.500 0.202 0.000 0.873 628 K HN 0.327 nan 8.250 nan 0.000 0.523 629 F N 0.661 120.671 119.950 0.099 0.000 2.660 629 F HA 0.277 4.808 4.527 0.007 0.000 0.320 629 F C -1.981 173.819 175.800 -0.001 0.000 1.099 629 F CA -1.089 56.886 58.000 -0.040 0.000 1.061 629 F CB 1.395 40.199 39.000 -0.328 0.000 1.300 629 F HN -0.054 nan 8.300 nan 0.000 0.479 630 c N 6.830 124.974 118.600 -0.760 0.000 2.301 630 c HA 0.391 4.966 4.570 0.007 0.000 0.323 630 c C 1.201 174.661 174.090 -1.051 0.000 1.265 630 c CA -0.633 55.336 56.329 -0.600 0.000 1.503 630 c CB 0.477 42.769 42.510 -0.363 0.000 2.195 630 c HN 0.927 nan 8.230 nan 0.000 0.477 631 L N 2.763 123.481 121.223 -0.841 0.000 2.156 631 L HA 0.142 4.486 4.340 0.007 0.000 0.208 631 L C 1.149 177.608 176.870 -0.686 0.000 1.095 631 L CA 2.094 56.379 54.840 -0.926 0.000 0.770 631 L CB -0.369 40.976 42.059 -1.190 0.000 0.914 631 L HN 0.640 nan 8.230 nan 0.000 0.439 632 F N -0.455 119.283 119.950 -0.353 0.000 2.730 632 F HA 0.385 4.916 4.527 0.007 0.000 0.295 632 F C 0.430 176.132 175.800 -0.164 0.000 1.143 632 F CA -0.588 57.276 58.000 -0.226 0.000 1.367 632 F CB -0.576 38.292 39.000 -0.220 0.000 0.970 632 F HN -0.123 nan 8.300 nan 0.000 0.514 633 K N -0.171 120.179 120.400 -0.084 0.000 2.426 633 K HA 0.636 4.961 4.320 0.007 0.000 0.251 633 K C 0.191 176.731 176.600 -0.100 0.000 0.941 633 K CA -0.422 55.815 56.287 -0.084 0.000 0.808 633 K CB 1.897 34.321 32.500 -0.127 0.000 1.265 633 K HN -0.093 nan 8.250 nan 0.000 0.432 634 S N 0.830 116.507 115.700 -0.039 0.000 2.885 634 S HA 0.147 4.621 4.470 0.007 0.000 0.238 634 S C -0.943 173.667 174.600 0.016 0.000 0.766 634 S CA -0.651 57.541 58.200 -0.013 0.000 1.089 634 S CB -0.523 62.694 63.200 0.029 0.000 1.396 634 S HN 0.711 nan 8.310 nan 0.000 0.509 635 E N 2.276 122.479 120.200 0.004 0.000 2.246 635 E HA -0.216 4.138 4.350 0.007 0.000 0.211 635 E C 0.454 177.086 176.600 0.053 0.000 1.278 635 E CA 0.643 57.056 56.400 0.022 0.000 0.694 635 E CB -2.242 27.477 29.700 0.032 0.000 1.166 635 E HN 1.409 nan 8.360 nan 0.000 0.370 636 T N -3.659 110.922 114.554 0.044 0.000 6.478 636 T HA -0.350 4.004 4.350 0.007 0.000 0.314 636 T C 0.652 175.422 174.700 0.117 0.000 1.477 636 T CA 2.137 64.280 62.100 0.072 0.000 2.503 636 T CB -1.076 67.844 68.868 0.087 0.000 2.322 636 T HN 0.528 nan 8.240 nan 0.000 1.095 637 K N 0.943 121.409 120.400 0.111 0.000 2.404 637 K HA 0.174 4.499 4.320 0.007 0.000 0.194 637 K C 0.731 177.417 176.600 0.143 0.000 1.023 637 K CA 0.138 56.507 56.287 0.136 0.000 1.094 637 K CB 0.094 32.667 32.500 0.122 0.000 0.841 637 K HN 0.427 nan 8.250 nan 0.000 0.523 638 N N 1.757 120.528 118.700 0.119 0.000 2.716 638 N HA -0.194 4.551 4.740 0.007 0.000 0.250 638 N C -0.699 174.905 175.510 0.156 0.000 1.033 638 N CA 0.833 53.961 53.050 0.130 0.000 0.727 638 N CB -1.380 37.199 38.487 0.154 0.000 0.950 638 N HN 0.290 nan 8.380 nan 0.000 0.541 639 L N 0.526 121.831 121.223 0.137 0.000 2.410 639 L HA 0.116 4.460 4.340 0.007 0.000 0.273 639 L C 2.081 179.034 176.870 0.138 0.000 1.152 639 L CA -0.286 54.635 54.840 0.135 0.000 0.855 639 L CB 0.354 42.482 42.059 0.115 0.000 1.129 639 L HN 0.257 nan 8.230 nan 0.000 0.463 640 L N 1.196 122.480 121.223 0.103 0.000 3.888 640 L HA -0.360 3.984 4.340 0.007 0.000 0.362 640 L C -0.203 176.466 176.870 -0.335 0.000 0.963 640 L CA 1.643 56.455 54.840 -0.047 0.000 2.926 640 L CB -1.022 41.021 42.059 -0.027 0.000 0.851 640 L HN 0.472 nan 8.230 nan 0.000 0.728 641 F N -1.487 118.581 119.950 0.197 0.000 2.664 641 F HA 0.453 4.985 4.527 0.007 0.000 0.317 641 F C 0.469 176.320 175.800 0.086 0.000 1.108 641 F CA -0.999 57.107 58.000 0.177 0.000 0.957 641 F CB 0.610 39.746 39.000 0.227 0.000 1.365 641 F HN -0.183 nan 8.300 nan 0.000 0.475 642 N N 1.331 120.132 118.700 0.169 0.000 2.518 642 N HA 0.032 4.776 4.740 0.007 0.000 0.266 642 N C 0.269 175.783 175.510 0.007 0.000 1.196 642 N CA 0.138 53.192 53.050 0.007 0.000 0.947 642 N CB 0.847 39.223 38.487 -0.185 0.000 1.098 642 N HN 0.598 nan 8.380 nan 0.000 0.450 643 D N 0.478 120.875 120.400 -0.006 0.000 2.384 643 D HA -0.132 4.512 4.640 0.007 0.000 0.222 643 D C 0.855 177.122 176.300 -0.056 0.000 0.976 643 D CA 0.927 54.922 54.000 -0.009 0.000 0.915 643 D CB 0.042 40.831 40.800 -0.017 0.000 0.896 643 D HN 0.580 nan 8.370 nan 0.000 0.523 644 N N -0.201 118.430 118.700 -0.116 0.000 2.214 644 N HA -0.052 4.693 4.740 0.007 0.000 0.214 644 N C -0.237 175.164 175.510 -0.181 0.000 1.132 644 N CA -0.120 52.848 53.050 -0.137 0.000 0.856 644 N CB -0.266 38.126 38.487 -0.159 0.000 1.020 644 N HN -0.275 nan 8.380 nan 0.000 0.509 645 T N 0.892 115.295 114.554 -0.253 0.000 2.853 645 T HA 0.006 4.361 4.350 0.007 0.000 0.298 645 T C 0.962 175.381 174.700 -0.469 0.000 0.978 645 T CA -0.038 61.779 62.100 -0.471 0.000 1.152 645 T CB 1.821 70.176 68.868 -0.855 0.000 0.914 645 T HN 0.265 nan 8.240 nan 0.000 0.539 646 E N 0.953 120.953 120.200 -0.334 0.000 2.086 646 E HA 0.045 4.399 4.350 0.007 0.000 0.190 646 E C 0.827 177.319 176.600 -0.180 0.000 0.975 646 E CA 0.527 56.820 56.400 -0.178 0.000 0.813 646 E CB 0.326 29.962 29.700 -0.107 0.000 0.768 646 E HN 0.882 nan 8.360 nan 0.000 0.457 647 c N -2.211 116.210 118.600 -0.297 0.000 3.259 647 c HA 0.509 5.084 4.570 0.007 0.000 0.344 647 c C -1.334 172.663 174.090 -0.155 0.000 1.401 647 c CA -1.339 54.910 56.329 -0.133 0.000 1.219 647 c CB 0.096 42.620 42.510 0.023 0.000 1.521 647 c HN 0.111 nan 8.230 nan 0.000 0.455 648 L N 2.551 123.807 121.223 0.055 0.000 2.255 648 L HA 0.653 4.998 4.340 0.007 0.000 0.289 648 L C 0.876 177.864 176.870 0.196 0.000 1.046 648 L CA 0.145 55.050 54.840 0.109 0.000 0.816 648 L CB 0.992 43.154 42.059 0.172 0.000 1.197 648 L HN 1.035 nan 8.230 nan 0.000 0.427 649 A N 3.864 126.774 122.820 0.150 0.000 2.239 649 A HA 0.556 4.880 4.320 0.007 0.000 0.303 649 A C -0.006 177.702 177.584 0.207 0.000 1.114 649 A CA -0.629 51.512 52.037 0.175 0.000 0.871 649 A CB 0.576 19.642 19.000 0.111 0.000 1.201 649 A HN 0.590 nan 8.150 nan 0.000 0.506 650 E N -0.249 120.087 120.200 0.226 0.000 2.374 650 E HA 0.190 4.544 4.350 0.007 0.000 0.260 650 E C 0.496 177.199 176.600 0.171 0.000 1.101 650 E CA -0.235 56.296 56.400 0.219 0.000 0.907 650 E CB 0.758 30.605 29.700 0.245 0.000 1.014 650 E HN 0.542 nan 8.360 nan 0.000 0.427 651 L N 1.070 122.379 121.223 0.144 0.000 2.610 651 L HA -0.081 4.264 4.340 0.007 0.000 0.232 651 L C 0.481 177.455 176.870 0.172 0.000 1.149 651 L CA 0.184 55.116 54.840 0.154 0.000 0.872 651 L CB -0.204 41.914 42.059 0.099 0.000 0.992 651 L HN 0.343 nan 8.230 nan 0.000 0.447 652 Q N -0.066 119.821 119.800 0.144 0.000 2.475 652 Q HA -0.274 4.070 4.340 0.007 0.000 0.280 652 Q C 1.222 177.285 176.000 0.104 0.000 1.234 652 Q CA 0.927 56.801 55.803 0.119 0.000 0.873 652 Q CB -1.956 26.852 28.738 0.116 0.000 1.256 652 Q HN 0.768 nan 8.270 nan 0.000 0.475 653 G N -0.511 108.350 108.800 0.101 0.000 2.317 653 G HA2 -0.305 3.660 3.960 0.007 0.000 0.227 653 G HA3 -0.305 3.660 3.960 0.007 0.000 0.227 653 G C 0.058 175.015 174.900 0.095 0.000 1.042 653 G CA 0.088 45.239 45.100 0.084 0.000 0.623 653 G HN 0.207 nan 8.290 nan 0.000 0.509 654 K N 2.592 123.074 120.400 0.136 0.000 2.021 654 K HA 0.243 4.567 4.320 0.007 0.000 0.238 654 K C 1.405 178.100 176.600 0.157 0.000 1.149 654 K CA 1.002 57.396 56.287 0.179 0.000 1.105 654 K CB 0.022 32.708 32.500 0.310 0.000 1.246 654 K HN 0.709 nan 8.250 nan 0.000 0.307 655 T N -2.649 111.963 114.554 0.096 0.000 3.022 655 T HA -0.026 4.329 4.350 0.007 0.000 0.250 655 T C 0.900 175.634 174.700 0.056 0.000 1.060 655 T CA -0.112 62.026 62.100 0.063 0.000 1.013 655 T CB 0.039 68.937 68.868 0.050 0.000 0.982 655 T HN 0.424 nan 8.240 nan 0.000 0.508 656 T N -0.185 114.402 114.554 0.054 0.000 2.925 656 T HA 0.455 4.809 4.350 0.007 0.000 0.285 656 T C 0.964 175.707 174.700 0.071 0.000 1.021 656 T CA -0.698 61.409 62.100 0.011 0.000 1.042 656 T CB 1.187 69.994 68.868 -0.102 0.000 1.037 656 T HN 0.271 nan 8.240 nan 0.000 0.481 657 Y N 0.940 121.302 120.300 0.103 0.000 2.207 657 Y HA -0.039 4.515 4.550 0.007 0.000 0.287 657 Y C 1.926 177.934 175.900 0.180 0.000 1.156 657 Y CA 1.503 59.700 58.100 0.162 0.000 1.182 657 Y CB -1.074 37.444 38.460 0.097 0.000 0.979 657 Y HN 0.724 nan 8.280 nan 0.000 0.521 658 E N 0.607 120.512 120.200 -0.492 0.000 2.051 658 E HA -0.228 4.126 4.350 0.007 0.000 0.192 658 E C 2.259 178.856 176.600 -0.005 0.000 0.991 658 E CA 1.852 58.114 56.400 -0.229 0.000 0.799 658 E CB -0.266 29.200 29.700 -0.391 0.000 0.748 658 E HN 0.671 nan 8.360 nan 0.000 0.449 659 Q N -0.549 119.248 119.800 -0.006 0.000 2.050 659 Q HA -0.212 4.132 4.340 0.007 0.000 0.202 659 Q C 2.000 178.076 176.000 0.127 0.000 0.980 659 Q CA 1.526 57.364 55.803 0.057 0.000 0.840 659 Q CB -0.261 28.514 28.738 0.062 0.000 0.898 659 Q HN 0.330 nan 8.270 nan 0.000 0.424 660 Y N 1.204 121.550 120.300 0.076 0.000 2.114 660 Y HA -0.215 4.339 4.550 0.007 0.000 0.284 660 Y C 1.789 177.774 175.900 0.143 0.000 1.143 660 Y CA 1.525 59.694 58.100 0.115 0.000 1.135 660 Y CB -0.210 38.337 38.460 0.145 0.000 0.980 660 Y HN 0.009 nan 8.280 nan 0.000 0.499 661 L N -0.497 120.792 121.223 0.110 0.000 2.217 661 L HA 0.147 4.491 4.340 0.007 0.000 0.211 661 L C 1.174 178.101 176.870 0.095 0.000 1.107 661 L CA 0.571 55.479 54.840 0.113 0.000 0.783 661 L CB -1.157 41.112 42.059 0.350 0.000 0.919 661 L HN 0.453 nan 8.230 nan 0.000 0.442 662 G N -0.560 108.292 108.800 0.087 0.000 2.690 662 G HA2 -0.225 3.740 3.960 0.007 0.000 0.686 662 G HA3 -0.225 3.740 3.960 0.007 0.000 0.686 662 G C 0.588 175.547 174.900 0.098 0.000 1.277 662 G CA -0.210 44.929 45.100 0.064 0.000 0.799 662 G HN 0.166 nan 8.290 nan 0.000 0.613 663 S N 0.554 116.294 115.700 0.067 0.000 2.354 663 S HA -0.182 4.292 4.470 0.007 0.000 0.219 663 S C 2.008 176.655 174.600 0.079 0.000 1.035 663 S CA 2.393 60.633 58.200 0.066 0.000 1.037 663 S CB -0.580 62.645 63.200 0.042 0.000 0.956 663 S HN 1.187 nan 8.310 nan 0.000 0.428 664 E N 1.707 121.951 120.200 0.075 0.000 2.037 664 E HA -0.253 4.101 4.350 0.007 0.000 0.214 664 E C 1.851 178.523 176.600 0.121 0.000 1.041 664 E CA 1.791 58.240 56.400 0.081 0.000 0.872 664 E CB -1.351 28.392 29.700 0.071 0.000 0.785 664 E HN 0.590 nan 8.360 nan 0.000 0.476 665 Y N 1.223 121.523 120.300 0.001 0.000 2.241 665 Y HA -0.206 4.349 4.550 0.008 0.000 0.286 665 Y C 2.308 178.217 175.900 0.015 0.000 1.166 665 Y CA 1.013 59.108 58.100 -0.007 0.000 1.203 665 Y CB -0.386 38.062 38.460 -0.021 0.000 0.977 665 Y HN -0.035 nan 8.280 nan 0.000 0.529 666 V N -0.797 119.128 119.914 0.018 0.000 2.358 666 V HA -0.310 3.814 4.120 0.007 0.000 0.246 666 V C 2.245 178.328 176.094 -0.020 0.000 1.047 666 V CA 2.413 64.728 62.300 0.024 0.000 1.035 666 V CB -0.943 31.011 31.823 0.218 0.000 0.658 666 V HN 0.450 nan 8.190 nan 0.000 0.452 667 T N -1.050 113.517 114.554 0.021 0.000 2.708 667 T HA -0.212 4.143 4.350 0.007 0.000 0.266 667 T C 2.124 176.812 174.700 -0.020 0.000 1.037 667 T CA 1.854 63.966 62.100 0.021 0.000 1.146 667 T CB -0.374 68.517 68.868 0.038 0.000 0.865 667 T HN 0.426 nan 8.240 nan 0.000 0.435 668 S N 0.555 116.240 115.700 -0.024 0.000 2.387 668 S HA -0.047 4.427 4.470 0.007 0.000 0.230 668 S C 1.950 176.483 174.600 -0.113 0.000 1.035 668 S CA 0.878 59.068 58.200 -0.017 0.000 1.014 668 S CB -0.511 62.723 63.200 0.056 0.000 0.836 668 S HN 0.426 nan 8.310 nan 0.000 0.466 669 I N 1.046 121.431 120.570 -0.308 0.000 2.546 669 I HA -0.113 4.061 4.170 0.007 0.000 0.255 669 I C 2.192 178.089 176.117 -0.368 0.000 1.163 669 I CA 1.294 62.294 61.300 -0.499 0.000 1.457 669 I CB -0.573 36.821 38.000 -1.009 0.000 1.092 669 I HN 0.399 nan 8.210 nan 0.000 0.434 670 T N -0.559 113.878 114.554 -0.195 0.000 2.896 670 T HA -0.029 4.326 4.350 0.007 0.000 0.263 670 T C 1.665 176.371 174.700 0.010 0.000 1.050 670 T CA 0.765 62.836 62.100 -0.048 0.000 1.140 670 T CB -0.324 68.571 68.868 0.044 0.000 0.877 670 T HN 0.237 nan 8.240 nan 0.000 0.457 671 N N 1.767 120.490 118.700 0.040 0.000 2.120 671 N HA 0.054 4.798 4.740 0.007 0.000 0.188 671 N C 1.856 177.472 175.510 0.176 0.000 1.024 671 N CA 0.781 53.915 53.050 0.141 0.000 0.852 671 N CB -0.668 37.921 38.487 0.170 0.000 1.003 671 N HN 0.327 nan 8.380 nan 0.000 0.424 672 L N 0.876 122.151 121.223 0.086 0.000 2.079 672 L HA -0.100 4.244 4.340 0.007 0.000 0.210 672 L C 2.228 179.087 176.870 -0.019 0.000 1.081 672 L CA 1.027 55.871 54.840 0.007 0.000 0.752 672 L CB -0.217 41.814 42.059 -0.047 0.000 0.896 672 L HN 0.143 nan 8.230 nan 0.000 0.433 673 R N -0.460 120.029 120.500 -0.018 0.000 2.241 673 R HA -0.178 4.167 4.340 0.007 0.000 0.224 673 R C 2.222 178.527 176.300 0.009 0.000 1.101 673 R CA 0.708 56.808 56.100 -0.001 0.000 0.995 673 R CB -0.331 29.975 30.300 0.009 0.000 0.870 673 R HN 0.293 nan 8.270 nan 0.000 0.463 674 R N 0.231 120.741 120.500 0.018 0.000 2.159 674 R HA -0.139 4.205 4.340 0.007 0.000 0.237 674 R C 1.645 177.921 176.300 -0.040 0.000 1.131 674 R CA 1.550 57.666 56.100 0.026 0.000 0.982 674 R CB -0.081 30.282 30.300 0.105 0.000 0.868 674 R HN 0.236 nan 8.270 nan 0.000 0.453 675 c N -1.850 116.679 118.600 -0.119 0.000 2.564 675 c HA 0.257 4.832 4.570 0.007 0.000 0.281 675 c C 1.196 175.248 174.090 -0.063 0.000 1.314 675 c CA -0.087 56.130 56.329 -0.186 0.000 1.706 675 c CB 0.251 42.534 42.510 -0.378 0.000 2.109 675 c HN 0.418 nan 8.230 nan 0.000 0.502 676 S N -0.456 115.254 115.700 0.016 0.000 2.541 676 S HA 0.634 5.109 4.470 0.007 0.000 0.280 676 S C -0.934 173.687 174.600 0.035 0.000 1.112 676 S CA -0.199 58.030 58.200 0.048 0.000 0.925 676 S CB 1.624 64.900 63.200 0.127 0.000 1.067 676 S HN 0.338 nan 8.310 nan 0.000 0.479 677 S N 1.512 117.227 115.700 0.026 0.000 2.634 677 S HA 0.853 5.328 4.470 0.007 0.000 0.296 677 S C -0.749 173.863 174.600 0.019 0.000 1.104 677 S CA -0.467 57.748 58.200 0.025 0.000 0.920 677 S CB 1.509 64.726 63.200 0.028 0.000 1.111 677 S HN 1.053 nan 8.310 nan 0.000 0.493 678 S N 1.793 117.506 115.700 0.022 0.000 2.621 678 S HA 0.591 5.065 4.470 0.007 0.000 0.302 678 S C -2.127 172.486 174.600 0.022 0.000 1.093 678 S CA -1.266 56.946 58.200 0.019 0.000 1.017 678 S CB 1.436 64.650 63.200 0.024 0.000 1.077 678 S HN 0.578 nan 8.310 nan 0.000 0.517 679 P HA -0.082 nan 4.420 nan 0.000 0.218 679 P C 1.561 178.874 177.300 0.022 0.000 1.149 679 P CA 0.572 63.680 63.100 0.013 0.000 0.817 679 P CB 0.089 31.792 31.700 0.005 0.000 0.785 680 L N -0.904 120.339 121.223 0.032 0.000 2.027 680 L HA -0.111 4.233 4.340 0.007 0.000 0.206 680 L C 2.428 179.318 176.870 0.034 0.000 1.074 680 L CA 1.174 56.036 54.840 0.037 0.000 0.745 680 L CB -0.899 41.190 42.059 0.050 0.000 0.898 680 L HN -0.056 nan 8.230 nan 0.000 0.433 681 L N 0.297 121.540 121.223 0.033 0.000 2.127 681 L HA -0.239 4.105 4.340 0.007 0.000 0.211 681 L C 2.328 179.216 176.870 0.030 0.000 1.089 681 L CA 1.757 56.612 54.840 0.024 0.000 0.757 681 L CB -0.545 41.542 42.059 0.046 0.000 0.899 681 L HN 0.291 nan 8.230 nan 0.000 0.434 682 E N -1.615 118.607 120.200 0.036 0.000 2.102 682 E HA -0.022 4.333 4.350 0.007 0.000 0.190 682 E C 2.218 178.860 176.600 0.071 0.000 0.971 682 E CA 0.733 57.159 56.400 0.044 0.000 0.821 682 E CB -0.198 29.517 29.700 0.026 0.000 0.777 682 E HN 0.499 nan 8.360 nan 0.000 0.460 683 A N 0.771 123.629 122.820 0.063 0.000 1.948 683 A HA -0.232 4.092 4.320 0.007 0.000 0.220 683 A C 2.309 179.986 177.584 0.155 0.000 1.177 683 A CA 1.327 53.424 52.037 0.100 0.000 0.636 683 A CB -0.892 18.149 19.000 0.069 0.000 0.815 683 A HN 0.373 nan 8.150 nan 0.000 0.449 684 c N -1.362 117.292 118.600 0.089 0.000 2.446 684 c HA 0.223 4.797 4.570 0.007 0.000 0.279 684 c C 3.244 177.363 174.090 0.048 0.000 1.366 684 c CA 0.302 56.666 56.329 0.057 0.000 1.763 684 c CB -1.252 41.263 42.510 0.008 0.000 1.929 684 c HN 0.717 nan 8.230 nan 0.000 0.509 685 A N 0.289 123.148 122.820 0.065 0.000 1.902 685 A HA -0.184 4.140 4.320 0.007 0.000 0.217 685 A C 1.885 179.511 177.584 0.069 0.000 1.181 685 A CA 1.710 53.779 52.037 0.054 0.000 0.623 685 A CB -0.765 18.274 19.000 0.065 0.000 0.818 685 A HN 0.559 nan 8.150 nan 0.000 0.443 686 F N 0.701 120.651 119.950 -0.000 0.000 2.084 686 F HA -0.091 4.439 4.527 0.006 0.000 0.296 686 F C 1.880 177.687 175.800 0.011 0.000 1.111 686 F CA 1.722 59.726 58.000 0.007 0.000 1.224 686 F CB -0.432 38.575 39.000 0.012 0.000 0.991 686 F HN 0.125 nan 8.300 nan 0.000 0.471 687 L N 0.218 121.370 121.223 -0.118 0.000 2.079 687 L HA -0.176 4.169 4.340 0.007 0.000 0.210 687 L C 1.788 178.525 176.870 -0.223 0.000 1.081 687 L CA 1.181 55.896 54.840 -0.207 0.000 0.752 687 L CB -0.633 41.445 42.059 0.031 0.000 0.896 687 L HN 0.056 nan 8.230 nan 0.000 0.433 688 R N 0.116 120.536 120.500 -0.134 0.000 2.568 688 R HA 0.371 4.715 4.340 0.007 0.000 0.288 688 R C 0.135 176.370 176.300 -0.109 0.000 1.077 688 R CA 0.025 56.063 56.100 -0.102 0.000 1.102 688 R CB 0.067 30.336 30.300 -0.051 0.000 1.278 688 R HN 0.191 nan 8.270 nan 0.000 0.560 689 A N 0.000 122.714 122.820 -0.177 0.000 2.254 689 A HA 0.000 4.324 4.320 0.007 0.000 0.244 689 A CA 0.000 51.949 52.037 -0.147 0.000 0.836 689 A CB 0.000 18.912 19.000 -0.146 0.000 0.831 689 A HN 0.000 nan 8.150 nan 0.000 0.486