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 1i6b_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 0.000 177.588 177.584 0.006 0.000 1.274 1 A CA 0.000 52.040 52.037 0.005 0.000 0.836 1 A CB 0.000 19.002 19.000 0.003 0.000 0.831 2 P HA -0.101 nan 4.420 nan 0.000 0.235 2 P C 0.573 177.880 177.300 0.012 0.000 1.018 2 P CA 0.883 63.991 63.100 0.013 0.000 1.049 2 P CB 0.082 31.793 31.700 0.017 0.000 0.657 3 R N -2.290 118.219 120.500 0.014 0.000 2.846 3 R HA 0.434 4.774 4.340 0.001 0.000 0.263 3 R C 0.810 177.115 176.300 0.009 0.000 1.080 3 R CA -0.706 55.400 56.100 0.011 0.000 0.961 3 R CB 0.866 31.174 30.300 0.013 0.000 1.231 3 R HN 0.100 nan 8.270 nan 0.000 0.465 4 K N -0.259 120.144 120.400 0.005 0.000 2.051 4 K HA 0.062 4.383 4.320 0.001 0.000 0.206 4 K C -0.277 176.323 176.600 -0.000 0.000 0.966 4 K CA 1.503 57.790 56.287 -0.000 0.000 1.004 4 K CB -0.264 32.234 32.500 -0.003 0.000 1.081 4 K HN 0.628 nan 8.250 nan 0.000 0.574 5 S N -0.848 114.850 115.700 -0.003 0.000 2.566 5 S HA 0.430 4.901 4.470 0.001 0.000 0.298 5 S C -0.747 173.858 174.600 0.008 0.000 1.083 5 S CA -1.146 57.050 58.200 -0.006 0.000 0.978 5 S CB 2.056 65.241 63.200 -0.025 0.000 1.073 5 S HN 0.073 nan 8.310 nan 0.000 0.491 6 V N 3.901 123.828 119.914 0.022 0.000 2.322 6 V HA 0.298 4.419 4.120 0.001 0.000 0.258 6 V C 0.744 176.880 176.094 0.071 0.000 1.074 6 V CA -0.793 61.542 62.300 0.058 0.000 0.909 6 V CB -0.437 31.460 31.823 0.124 0.000 1.090 6 V HN 0.892 nan 8.190 nan 0.000 0.486 7 R N 4.391 124.916 120.500 0.042 0.000 2.606 7 R HA 0.004 4.345 4.340 0.001 0.000 0.276 7 R C -0.375 175.987 176.300 0.102 0.000 1.416 7 R CA -0.310 55.821 56.100 0.052 0.000 1.064 7 R CB 0.035 30.346 30.300 0.018 0.000 1.117 7 R HN 0.701 nan 8.270 nan 0.000 0.543 8 W N 5.328 126.597 121.300 -0.051 0.000 2.266 8 W HA 0.163 4.823 4.660 0.001 0.000 0.317 8 W C 0.159 176.659 176.519 -0.031 0.000 1.310 8 W CA -1.073 56.256 57.345 -0.026 0.000 1.207 8 W CB 0.877 30.329 29.460 -0.012 0.000 1.199 8 W HN 0.735 nan 8.180 nan 0.000 0.544 9 c N 4.631 123.348 118.600 0.194 0.000 2.422 9 c HA 0.870 5.441 4.570 0.001 0.000 0.364 9 c C 0.536 174.775 174.090 0.249 0.000 1.251 9 c CA -0.204 56.224 56.329 0.165 0.000 2.441 9 c CB 0.819 43.355 42.510 0.044 0.000 2.393 9 c HN 0.697 nan 8.230 nan 0.000 0.606 10 T N 0.133 114.769 114.554 0.137 0.000 2.907 10 T HA 0.599 4.950 4.350 0.001 0.000 0.292 10 T C 0.451 175.190 174.700 0.066 0.000 1.043 10 T CA -0.403 61.761 62.100 0.107 0.000 1.003 10 T CB 1.228 70.135 68.868 0.065 0.000 1.084 10 T HN 0.923 nan 8.240 nan 0.000 0.483 11 I N 0.560 121.167 120.570 0.062 0.000 5.414 11 I HA 0.297 4.467 4.170 0.001 0.000 0.219 11 I C 1.556 177.669 176.117 -0.007 0.000 0.931 11 I CA -0.710 60.611 61.300 0.035 0.000 1.560 11 I CB -1.078 36.962 38.000 0.065 0.000 1.386 11 I HN 0.774 nan 8.210 nan 0.000 0.442 12 S N 2.007 117.683 115.700 -0.039 0.000 2.592 12 S HA 0.110 4.580 4.470 0.001 0.000 0.256 12 S C -1.592 172.992 174.600 -0.027 0.000 1.369 12 S CA -0.438 57.723 58.200 -0.065 0.000 0.984 12 S CB 0.145 63.289 63.200 -0.094 0.000 0.919 12 S HN 0.329 nan 8.310 nan 0.000 0.576 13 P HA 0.146 nan 4.420 nan 0.000 0.217 13 P C 1.602 178.901 177.300 -0.002 0.000 1.154 13 P CA 1.665 64.757 63.100 -0.014 0.000 0.841 13 P CB -0.455 31.233 31.700 -0.019 0.000 0.790 14 A N 0.250 123.069 122.820 -0.002 0.000 1.986 14 A HA -0.262 4.059 4.320 0.001 0.000 0.220 14 A C 2.343 179.944 177.584 0.028 0.000 1.171 14 A CA 2.188 54.234 52.037 0.015 0.000 0.640 14 A CB -1.353 17.658 19.000 0.019 0.000 0.811 14 A HN 0.209 nan 8.150 nan 0.000 0.451 15 E N 0.351 120.565 120.200 0.023 0.000 2.017 15 E HA -0.067 4.283 4.350 0.001 0.000 0.193 15 E C 2.063 178.676 176.600 0.021 0.000 0.997 15 E CA 1.841 58.258 56.400 0.029 0.000 0.804 15 E CB -0.624 29.096 29.700 0.033 0.000 0.757 15 E HN 0.432 nan 8.360 nan 0.000 0.448 16 A N 1.227 124.056 122.820 0.015 0.000 1.927 16 A HA -0.200 4.120 4.320 0.001 0.000 0.220 16 A C 2.431 180.021 177.584 0.011 0.000 1.185 16 A CA 2.713 54.756 52.037 0.009 0.000 0.639 16 A CB -1.392 17.610 19.000 0.005 0.000 0.820 16 A HN 0.475 nan 8.150 nan 0.000 0.451 17 A N -0.201 122.631 122.820 0.020 0.000 1.836 17 A HA -0.235 4.086 4.320 0.001 0.000 0.215 17 A C 2.146 179.767 177.584 0.062 0.000 1.214 17 A CA 2.174 54.230 52.037 0.031 0.000 0.636 17 A CB -0.744 18.275 19.000 0.032 0.000 0.847 17 A HN 0.420 nan 8.150 nan 0.000 0.451 18 K N -0.065 120.389 120.400 0.089 0.000 2.173 18 K HA -0.233 4.088 4.320 0.001 0.000 0.207 18 K C 2.133 178.863 176.600 0.217 0.000 1.046 18 K CA 1.820 58.211 56.287 0.173 0.000 0.929 18 K CB -0.870 31.721 32.500 0.152 0.000 0.720 18 K HN 0.620 nan 8.250 nan 0.000 0.453 19 c N 0.085 118.745 118.600 0.100 0.000 2.504 19 c HA -0.116 4.455 4.570 0.001 0.000 0.285 19 c C 2.692 176.777 174.090 -0.008 0.000 1.225 19 c CA 1.864 58.225 56.329 0.054 0.000 1.755 19 c CB -1.300 41.188 42.510 -0.036 0.000 2.065 19 c HN 0.621 nan 8.230 nan 0.000 0.452 20 A N 1.227 124.021 122.820 -0.043 0.000 1.920 20 A HA -0.425 3.896 4.320 0.001 0.000 0.229 20 A C 2.016 179.527 177.584 -0.122 0.000 1.516 20 A CA 3.152 55.139 52.037 -0.083 0.000 0.714 20 A CB -1.227 17.750 19.000 -0.038 0.000 0.845 20 A HN 0.846 nan 8.150 nan 0.000 0.493 21 K N -1.743 118.620 120.400 -0.061 0.000 2.059 21 K HA -0.213 4.108 4.320 0.001 0.000 0.212 21 K C 1.838 178.170 176.600 -0.447 0.000 1.050 21 K CA 1.725 57.945 56.287 -0.111 0.000 0.927 21 K CB -0.524 32.103 32.500 0.213 0.000 0.714 21 K HN 0.536 nan 8.250 nan 0.000 0.447 22 F N 2.671 122.022 119.950 -0.998 0.000 2.027 22 F HA -0.319 4.208 4.527 0.001 0.000 0.297 22 F C 2.373 177.794 175.800 -0.632 0.000 1.129 22 F CA 1.905 59.200 58.000 -1.174 0.000 1.195 22 F CB -1.156 37.374 39.000 -0.783 0.000 0.960 22 F HN 0.164 nan 8.300 nan 0.000 0.485 23 Q N 0.334 119.875 119.800 -0.431 0.000 1.967 23 Q HA -0.324 4.017 4.340 0.001 0.000 0.210 23 Q C 2.540 178.376 176.000 -0.273 0.000 1.005 23 Q CA 2.614 58.167 55.803 -0.417 0.000 0.862 23 Q CB -0.495 28.060 28.738 -0.305 0.000 0.939 23 Q HN 0.483 nan 8.270 nan 0.000 0.417 24 R N -0.040 120.333 120.500 -0.211 0.000 2.223 24 R HA -0.287 4.053 4.340 0.001 0.000 0.229 24 R C 1.955 178.147 176.300 -0.179 0.000 1.105 24 R CA 2.603 58.610 56.100 -0.156 0.000 0.880 24 R CB -0.611 29.619 30.300 -0.116 0.000 0.853 24 R HN 0.423 nan 8.270 nan 0.000 0.429 25 N N -0.413 118.144 118.700 -0.238 0.000 2.073 25 N HA -0.294 4.447 4.740 0.001 0.000 0.199 25 N C 1.762 177.075 175.510 -0.329 0.000 1.023 25 N CA 2.401 55.270 53.050 -0.302 0.000 0.880 25 N CB -0.284 37.915 38.487 -0.480 0.000 1.052 25 N HN 0.194 nan 8.380 nan 0.000 0.449 26 M N 1.328 120.719 119.600 -0.349 0.000 2.204 26 M HA -0.266 4.215 4.480 0.001 0.000 0.255 26 M C 1.914 178.178 176.300 -0.059 0.000 1.073 26 M CA 1.680 56.866 55.300 -0.191 0.000 1.084 26 M CB -0.552 31.974 32.600 -0.124 0.000 1.289 26 M HN 0.043 nan 8.290 nan 0.000 0.419 27 K N 0.086 120.439 120.400 -0.079 0.000 2.127 27 K HA -0.265 4.056 4.320 0.001 0.000 0.208 27 K C 2.039 178.638 176.600 -0.002 0.000 1.047 27 K CA 1.885 58.151 56.287 -0.036 0.000 0.927 27 K CB -0.494 31.975 32.500 -0.052 0.000 0.716 27 K HN 0.480 nan 8.250 nan 0.000 0.450 28 K N 0.471 120.865 120.400 -0.010 0.000 2.160 28 K HA -0.126 4.194 4.320 0.001 0.000 0.206 28 K C 1.768 178.416 176.600 0.079 0.000 1.047 28 K CA 1.450 57.754 56.287 0.027 0.000 0.930 28 K CB 0.131 32.645 32.500 0.023 0.000 0.720 28 K HN 0.029 nan 8.250 nan 0.000 0.450 29 V N 0.858 120.855 119.914 0.139 0.000 3.174 29 V HA -0.045 4.076 4.120 0.001 0.000 0.254 29 V C 1.040 177.199 176.094 0.107 0.000 1.120 29 V CA 1.103 63.507 62.300 0.173 0.000 1.114 29 V CB -0.531 31.501 31.823 0.349 0.000 0.756 29 V HN 0.614 nan 8.190 nan 0.000 0.467 30 R N -0.786 119.765 120.500 0.085 0.000 3.908 30 R HA -0.163 4.177 4.340 0.001 0.000 0.381 30 R C 0.785 177.116 176.300 0.051 0.000 1.135 30 R CA 0.792 56.922 56.100 0.050 0.000 0.990 30 R CB -2.278 28.042 30.300 0.034 0.000 1.557 30 R HN 0.444 nan 8.270 nan 0.000 0.535 31 G N 1.552 110.402 108.800 0.083 0.000 2.781 31 G HA2 0.271 4.231 3.960 0.001 0.000 0.157 31 G HA3 0.271 4.231 3.960 0.001 0.000 0.157 31 G C -1.096 173.836 174.900 0.053 0.000 1.823 31 G CA 0.493 45.636 45.100 0.070 0.000 0.932 31 G HN 0.430 nan 8.290 nan 0.000 0.398 32 P HA 0.275 nan 4.420 nan 0.000 0.339 32 P C -0.451 176.859 177.300 0.017 0.000 1.376 32 P CA 0.493 63.622 63.100 0.048 0.000 0.797 32 P CB 0.403 32.151 31.700 0.079 0.000 1.872 33 S N -2.447 113.250 115.700 -0.004 0.000 2.578 33 S HA 0.496 4.966 4.470 0.001 0.000 0.285 33 S C -0.423 174.129 174.600 -0.080 0.000 1.126 33 S CA -0.543 57.621 58.200 -0.059 0.000 0.878 33 S CB 0.475 63.650 63.200 -0.041 0.000 1.091 33 S HN 0.362 nan 8.310 nan 0.000 0.450 34 V N -0.694 119.119 119.914 -0.167 0.000 6.149 34 V HA 1.031 5.152 4.120 0.001 0.000 0.279 34 V C -0.017 176.003 176.094 -0.124 0.000 1.601 34 V CA -0.475 61.732 62.300 -0.156 0.000 0.658 34 V CB 0.402 32.017 31.823 -0.346 0.000 1.462 34 V HN 2.313 nan 8.190 nan 0.000 0.397 35 S N -1.486 114.138 115.700 -0.126 0.000 2.551 35 S HA 0.076 4.547 4.470 0.001 0.000 0.333 35 S C -0.933 173.645 174.600 -0.036 0.000 0.664 35 S CA -0.469 57.681 58.200 -0.083 0.000 0.708 35 S CB -1.090 62.084 63.200 -0.045 0.000 1.040 35 S HN 1.382 nan 8.310 nan 0.000 0.544 36 c N 5.070 123.635 118.600 -0.059 0.000 2.595 36 c HA 0.387 4.957 4.570 0.001 0.000 0.374 36 c C 0.918 175.017 174.090 0.014 0.000 1.250 36 c CA -0.962 55.361 56.329 -0.011 0.000 1.595 36 c CB -1.842 40.639 42.510 -0.049 0.000 2.257 36 c HN 0.722 nan 8.230 nan 0.000 0.568 37 I N 4.838 125.436 120.570 0.046 0.000 2.396 37 I HA 0.159 4.330 4.170 0.001 0.000 0.289 37 I C 1.129 177.266 176.117 0.033 0.000 1.056 37 I CA 0.306 61.625 61.300 0.032 0.000 1.365 37 I CB 0.180 38.201 38.000 0.034 0.000 1.407 37 I HN 0.730 nan 8.210 nan 0.000 0.509 38 R N 6.618 127.128 120.500 0.017 0.000 2.491 38 R HA 0.508 4.849 4.340 0.001 0.000 0.283 38 R C -0.357 175.951 176.300 0.014 0.000 1.072 38 R CA -0.484 55.624 56.100 0.013 0.000 1.048 38 R CB 1.357 31.659 30.300 0.003 0.000 0.983 38 R HN 0.494 nan 8.270 nan 0.000 0.450 39 K N 1.115 121.523 120.400 0.014 0.000 2.670 39 K HA 0.169 4.490 4.320 0.001 0.000 0.289 39 K C 0.282 176.886 176.600 0.006 0.000 1.045 39 K CA -0.556 55.738 56.287 0.013 0.000 0.834 39 K CB 1.782 34.295 32.500 0.022 0.000 1.531 39 K HN 0.641 nan 8.250 nan 0.000 0.376 40 T N 0.645 115.203 114.554 0.006 0.000 2.536 40 T HA -0.080 4.271 4.350 0.001 0.000 0.236 40 T C 1.109 175.808 174.700 -0.001 0.000 1.227 40 T CA 1.439 63.537 62.100 -0.003 0.000 1.505 40 T CB -0.362 68.507 68.868 0.000 0.000 0.969 40 T HN 0.704 nan 8.240 nan 0.000 0.390 41 S N -0.337 115.378 115.700 0.024 0.000 2.851 41 S HA 0.470 4.940 4.470 0.001 0.000 0.317 41 S C 1.568 176.214 174.600 0.077 0.000 1.144 41 S CA 0.054 58.281 58.200 0.046 0.000 0.862 41 S CB 1.196 64.430 63.200 0.057 0.000 1.259 41 S HN 0.434 nan 8.310 nan 0.000 0.564 42 S N 0.858 116.616 115.700 0.097 0.000 2.365 42 S HA -0.141 4.330 4.470 0.001 0.000 0.221 42 S C 1.559 176.185 174.600 0.043 0.000 1.037 42 S CA 1.476 59.708 58.200 0.053 0.000 1.060 42 S CB -1.473 61.748 63.200 0.036 0.000 0.974 42 S HN 0.593 nan 8.310 nan 0.000 0.427 43 F N 2.304 122.227 119.950 -0.045 0.000 2.032 43 F HA -0.211 4.317 4.527 0.001 0.000 0.297 43 F C 2.842 178.592 175.800 -0.084 0.000 1.125 43 F CA 2.195 60.143 58.000 -0.086 0.000 1.202 43 F CB -0.903 38.050 39.000 -0.077 0.000 0.958 43 F HN 0.296 nan 8.300 nan 0.000 0.491 44 E N -1.035 119.292 120.200 0.212 0.000 2.085 44 E HA -0.268 4.083 4.350 0.001 0.000 0.194 44 E C 2.406 179.049 176.600 0.072 0.000 0.994 44 E CA 1.604 58.071 56.400 0.113 0.000 0.801 44 E CB -0.468 29.271 29.700 0.065 0.000 0.743 44 E HN 0.481 nan 8.360 nan 0.000 0.453 45 c N 0.043 118.673 118.600 0.051 0.000 2.403 45 c HA -0.173 4.398 4.570 0.001 0.000 0.277 45 c C 2.397 176.481 174.090 -0.009 0.000 1.248 45 c CA 0.715 57.055 56.329 0.019 0.000 1.762 45 c CB -0.997 41.522 42.510 0.014 0.000 2.014 45 c HN 0.467 nan 8.230 nan 0.000 0.486 46 I N 0.090 120.636 120.570 -0.040 0.000 2.069 46 I HA -0.335 3.835 4.170 0.001 0.000 0.237 46 I C 2.599 178.722 176.117 0.010 0.000 1.053 46 I CA 1.970 63.218 61.300 -0.087 0.000 1.311 46 I CB -0.855 37.005 38.000 -0.234 0.000 1.030 46 I HN 0.330 nan 8.210 nan 0.000 0.398 47 Q N 0.671 120.519 119.800 0.079 0.000 2.118 47 Q HA -0.290 4.051 4.340 0.001 0.000 0.211 47 Q C 2.340 178.407 176.000 0.111 0.000 0.998 47 Q CA 2.621 58.546 55.803 0.203 0.000 0.872 47 Q CB -0.587 28.274 28.738 0.205 0.000 0.925 47 Q HN 0.626 nan 8.270 nan 0.000 0.414 48 A N 0.046 122.903 122.820 0.061 0.000 1.948 48 A HA -0.233 4.088 4.320 0.001 0.000 0.220 48 A C 2.031 179.624 177.584 0.016 0.000 1.177 48 A CA 1.769 53.825 52.037 0.033 0.000 0.636 48 A CB -0.753 18.260 19.000 0.021 0.000 0.815 48 A HN 0.411 nan 8.150 nan 0.000 0.449 49 I N -0.545 120.028 120.570 0.006 0.000 2.286 49 I HA -0.141 4.029 4.170 0.001 0.000 0.245 49 I C 2.589 178.708 176.117 0.003 0.000 1.104 49 I CA 1.026 62.315 61.300 -0.019 0.000 1.397 49 I CB -0.195 37.773 38.000 -0.054 0.000 1.072 49 I HN 0.274 nan 8.210 nan 0.000 0.417 50 A N 0.588 123.435 122.820 0.045 0.000 2.239 50 A HA 0.459 4.780 4.320 0.001 0.000 0.209 50 A C 1.137 178.735 177.584 0.022 0.000 1.171 50 A CA 0.814 52.882 52.037 0.051 0.000 0.768 50 A CB -0.586 18.496 19.000 0.136 0.000 0.790 50 A HN 0.328 nan 8.150 nan 0.000 0.478 51 A N -0.044 122.788 122.820 0.020 0.000 2.815 51 A HA 0.482 4.803 4.320 0.001 0.000 0.318 51 A C 0.565 178.150 177.584 0.001 0.000 1.186 51 A CA 0.092 52.134 52.037 0.008 0.000 0.754 51 A CB -0.425 18.586 19.000 0.018 0.000 1.151 51 A HN 0.456 nan 8.150 nan 0.000 0.452 52 N N 2.354 121.050 118.700 -0.007 0.000 2.118 52 N HA -0.414 4.327 4.740 0.001 0.000 0.156 52 N C 1.614 177.118 175.510 -0.010 0.000 0.655 52 N CA 2.731 55.774 53.050 -0.011 0.000 0.880 52 N CB -0.330 38.150 38.487 -0.012 0.000 0.923 52 N HN 0.606 nan 8.380 nan 0.000 1.180 53 K N -0.179 120.219 120.400 -0.005 0.000 2.206 53 K HA -0.200 4.120 4.320 0.001 0.000 0.211 53 K C 0.781 177.378 176.600 -0.005 0.000 1.047 53 K CA 1.726 58.011 56.287 -0.003 0.000 0.933 53 K CB -0.618 31.883 32.500 0.002 0.000 0.721 53 K HN 0.549 nan 8.250 nan 0.000 0.471 54 A N 0.297 123.110 122.820 -0.012 0.000 2.486 54 A HA 0.495 4.816 4.320 0.001 0.000 0.289 54 A C -0.552 176.999 177.584 -0.055 0.000 1.176 54 A CA -0.164 51.858 52.037 -0.025 0.000 0.757 54 A CB 1.375 20.362 19.000 -0.022 0.000 1.337 54 A HN 0.137 nan 8.150 nan 0.000 0.423 55 D N -0.602 119.736 120.400 -0.102 0.000 2.467 55 D HA 0.425 5.066 4.640 0.001 0.000 0.111 55 D C 0.678 176.802 176.300 -0.293 0.000 1.441 55 D CA 0.296 54.206 54.000 -0.149 0.000 1.444 55 D CB -0.288 40.447 40.800 -0.109 0.000 2.206 55 D HN 0.903 nan 8.370 nan 0.000 0.202 56 A N 0.444 123.011 122.820 -0.422 0.000 2.520 56 A HA 0.532 4.853 4.320 0.001 0.000 0.235 56 A C 0.082 176.826 177.584 -1.400 0.000 1.065 56 A CA 0.241 51.743 52.037 -0.893 0.000 0.764 56 A CB 0.370 18.749 19.000 -1.035 0.000 1.002 56 A HN 0.917 nan 8.150 nan 0.000 0.502 57 V N 1.468 120.563 119.914 -1.364 0.000 2.760 57 V HA 0.290 4.411 4.120 0.001 0.000 0.260 57 V C -0.273 175.675 176.094 -0.243 0.000 1.825 57 V CA -0.132 61.700 62.300 -0.780 0.000 0.867 57 V CB 1.469 33.053 31.823 -0.398 0.000 1.377 57 V HN 1.310 nan 8.190 nan 0.000 0.434 58 T N 6.590 121.198 114.554 0.089 0.000 2.909 58 T HA 0.803 5.153 4.350 0.001 0.000 0.289 58 T C -0.454 174.243 174.700 -0.005 0.000 1.005 58 T CA -0.372 61.792 62.100 0.107 0.000 1.084 58 T CB 1.078 70.122 68.868 0.293 0.000 0.975 58 T HN 0.624 nan 8.240 nan 0.000 0.509 59 L N 1.694 122.887 121.223 -0.050 0.000 2.472 59 L HA 0.411 4.752 4.340 0.001 0.000 0.260 59 L C -0.200 176.596 176.870 -0.123 0.000 0.963 59 L CA -1.144 53.627 54.840 -0.115 0.000 0.829 59 L CB 2.358 44.343 42.059 -0.123 0.000 1.348 59 L HN 0.689 nan 8.230 nan 0.000 0.408 60 D N 1.303 121.598 120.400 -0.175 0.000 2.357 60 D HA 0.068 4.709 4.640 0.001 0.000 0.242 60 D C 1.044 177.417 176.300 0.121 0.000 1.153 60 D CA 0.561 54.556 54.000 -0.008 0.000 0.918 60 D CB 2.139 42.961 40.800 0.036 0.000 1.181 60 D HN 0.640 nan 8.370 nan 0.000 0.435 61 G N 2.371 111.311 108.800 0.233 0.000 2.812 61 G HA2 -0.356 3.605 3.960 0.001 0.000 0.218 61 G HA3 -0.356 3.605 3.960 0.001 0.000 0.218 61 G C 1.460 176.445 174.900 0.143 0.000 1.287 61 G CA 1.711 46.853 45.100 0.071 0.000 0.796 61 G HN 0.703 nan 8.290 nan 0.000 0.649 62 G N 0.459 109.434 108.800 0.292 0.000 2.681 62 G HA2 -0.266 3.694 3.960 0.001 0.000 0.224 62 G HA3 -0.266 3.694 3.960 0.001 0.000 0.224 62 G C 1.833 176.836 174.900 0.172 0.000 1.100 62 G CA 1.366 46.663 45.100 0.328 0.000 0.743 62 G HN 0.452 nan 8.290 nan 0.000 0.612 63 L N -0.183 121.057 121.223 0.028 0.000 2.034 63 L HA -0.031 4.310 4.340 0.001 0.000 0.203 63 L C 3.043 179.843 176.870 -0.116 0.000 1.074 63 L CA 0.756 55.502 54.840 -0.157 0.000 0.748 63 L CB -0.721 41.207 42.059 -0.219 0.000 0.905 63 L HN 0.123 nan 8.230 nan 0.000 0.439 64 V N -0.376 119.506 119.914 -0.053 0.000 2.277 64 V HA -0.419 3.702 4.120 0.001 0.000 0.255 64 V C 2.272 178.378 176.094 0.021 0.000 1.074 64 V CA 2.548 64.822 62.300 -0.044 0.000 1.058 64 V CB -1.251 30.559 31.823 -0.022 0.000 0.656 64 V HN 0.473 nan 8.190 nan 0.000 0.449 65 Y N 1.752 122.054 120.300 0.003 0.000 2.053 65 Y HA -0.300 4.250 4.550 0.001 0.000 0.277 65 Y C 2.562 178.464 175.900 0.005 0.000 1.159 65 Y CA 2.392 60.526 58.100 0.058 0.000 1.125 65 Y CB -0.718 37.838 38.460 0.159 0.000 0.969 65 Y HN 0.268 nan 8.280 nan 0.000 0.492 66 E N 0.512 120.540 120.200 -0.287 0.000 2.118 66 E HA -0.176 4.175 4.350 0.001 0.000 0.195 66 E C 2.267 178.627 176.600 -0.401 0.000 0.992 66 E CA 1.342 57.458 56.400 -0.472 0.000 0.804 66 E CB -0.724 28.753 29.700 -0.372 0.000 0.741 66 E HN 0.594 nan 8.360 nan 0.000 0.458 67 A N 0.229 122.859 122.820 -0.317 0.000 1.842 67 A HA -0.051 4.269 4.320 0.001 0.000 0.217 67 A C 1.742 179.247 177.584 -0.133 0.000 1.206 67 A CA 1.559 53.431 52.037 -0.275 0.000 0.630 67 A CB -1.318 17.563 19.000 -0.198 0.000 0.839 67 A HN 0.318 nan 8.150 nan 0.000 0.447 68 G N -0.403 108.351 108.800 -0.077 0.000 2.396 68 G HA2 0.474 4.434 3.960 0.001 0.000 0.292 68 G HA3 0.474 4.434 3.960 0.001 0.000 0.292 68 G C -0.582 174.316 174.900 -0.004 0.000 1.106 68 G CA 0.013 45.108 45.100 -0.009 0.000 1.055 68 G HN 0.412 nan 8.290 nan 0.000 0.424 69 L N 0.033 121.308 121.223 0.087 0.000 2.933 69 L HA 0.333 4.674 4.340 0.001 0.000 0.271 69 L C 1.578 178.538 176.870 0.150 0.000 1.071 69 L CA -1.137 53.766 54.840 0.105 0.000 0.938 69 L CB 1.499 43.603 42.059 0.075 0.000 1.534 69 L HN 0.626 nan 8.230 nan 0.000 0.396 70 H N 1.710 120.799 119.070 0.031 0.000 2.291 70 H HA -0.207 4.350 4.556 0.001 0.000 0.275 70 H C -1.264 173.993 175.328 -0.119 0.000 1.115 70 H CA 3.264 59.293 56.048 -0.031 0.000 1.200 70 H CB -1.023 28.721 29.762 -0.030 0.000 1.444 70 H HN 0.445 nan 8.280 nan 0.000 0.576 71 P HA 0.014 nan 4.420 nan 0.000 0.228 71 P C 1.047 178.062 177.300 -0.476 0.000 1.166 71 P CA 1.165 64.023 63.100 -0.404 0.000 0.812 71 P CB -0.222 31.198 31.700 -0.466 0.000 0.857 72 Y N 0.075 120.370 120.300 -0.009 0.000 2.190 72 Y HA 0.209 4.760 4.550 0.001 0.000 0.290 72 Y C 0.972 176.839 175.900 -0.054 0.000 1.115 72 Y CA 0.035 58.115 58.100 -0.033 0.000 1.107 72 Y CB -0.891 37.548 38.460 -0.035 0.000 1.033 72 Y HN -0.342 nan 8.280 nan 0.000 0.502 73 K N 1.239 121.720 120.400 0.136 0.000 4.868 73 K HA -0.158 4.163 4.320 0.001 0.000 0.314 73 K C -1.490 175.123 176.600 0.021 0.000 0.932 73 K CA 0.517 56.827 56.287 0.038 0.000 0.998 73 K CB -1.700 30.788 32.500 -0.020 0.000 1.704 73 K HN 0.371 nan 8.250 nan 0.000 0.426 74 L N 1.944 123.176 121.223 0.014 0.000 2.365 74 L HA 0.547 4.887 4.340 0.001 0.000 0.273 74 L C 0.395 177.239 176.870 -0.044 0.000 1.000 74 L CA -1.089 53.737 54.840 -0.023 0.000 0.819 74 L CB 1.926 43.962 42.059 -0.039 0.000 1.284 74 L HN 0.313 nan 8.230 nan 0.000 0.418 75 R N 3.248 123.714 120.500 -0.056 0.000 2.494 75 R HA 0.553 4.893 4.340 0.001 0.000 0.305 75 R C -2.787 173.454 176.300 -0.098 0.000 0.959 75 R CA -1.768 54.294 56.100 -0.063 0.000 0.864 75 R CB 1.192 31.466 30.300 -0.043 0.000 1.159 75 R HN 0.202 nan 8.270 nan 0.000 0.446 76 P HA -0.030 nan 4.420 nan 0.000 0.264 76 P C 0.319 177.531 177.300 -0.146 0.000 1.236 76 P CA -0.156 62.831 63.100 -0.190 0.000 0.811 76 P CB 0.958 32.444 31.700 -0.357 0.000 0.840 77 V N 2.902 122.746 119.914 -0.117 0.000 2.453 77 V HA 0.021 4.142 4.120 0.001 0.000 0.247 77 V C 1.255 177.307 176.094 -0.069 0.000 1.048 77 V CA 2.049 64.296 62.300 -0.089 0.000 1.049 77 V CB -0.764 31.023 31.823 -0.060 0.000 0.672 77 V HN 0.732 nan 8.190 nan 0.000 0.457 78 A N -0.883 121.913 122.820 -0.039 0.000 2.547 78 A HA 0.845 5.166 4.320 0.001 0.000 0.297 78 A C -0.772 176.853 177.584 0.069 0.000 1.056 78 A CA 0.064 52.130 52.037 0.048 0.000 0.688 78 A CB 1.413 20.526 19.000 0.188 0.000 1.282 78 A HN 0.456 nan 8.150 nan 0.000 0.400 79 A N 1.355 124.280 122.820 0.175 0.000 2.325 79 A HA 0.726 5.047 4.320 0.001 0.000 0.333 79 A C 0.002 177.738 177.584 0.253 0.000 1.155 79 A CA -0.450 51.720 52.037 0.222 0.000 0.814 79 A CB 0.413 19.651 19.000 0.396 0.000 1.206 79 A HN 0.933 nan 8.150 nan 0.000 0.482 80 E N 0.966 121.282 120.200 0.193 0.000 2.319 80 E HA 0.535 4.886 4.350 0.001 0.000 0.268 80 E C -0.914 175.455 176.600 -0.385 0.000 1.050 80 E CA -0.737 55.702 56.400 0.065 0.000 0.878 80 E CB 1.109 30.859 29.700 0.083 0.000 1.066 80 E HN 0.218 nan 8.360 nan 0.000 0.406 81 V N 2.093 121.713 119.914 -0.490 0.000 2.630 81 V HA 0.372 4.493 4.120 0.001 0.000 0.305 81 V C -1.024 174.693 176.094 -0.629 0.000 1.046 81 V CA -0.781 61.230 62.300 -0.483 0.000 0.934 81 V CB 0.419 32.124 31.823 -0.196 0.000 1.003 81 V HN 0.622 nan 8.190 nan 0.000 0.451 82 Y N 1.248 121.497 120.300 -0.085 0.000 2.457 82 Y HA 0.502 5.053 4.550 0.001 0.000 0.343 82 Y C 0.575 176.426 175.900 -0.081 0.000 0.994 82 Y CA -0.757 57.271 58.100 -0.120 0.000 1.031 82 Y CB 1.913 40.295 38.460 -0.130 0.000 1.246 82 Y HN 0.601 nan 8.280 nan 0.000 0.449 83 Q N 0.859 120.703 119.800 0.072 0.000 2.010 83 Q HA 0.114 4.455 4.340 0.001 0.000 0.215 83 Q C -0.374 175.631 176.000 0.010 0.000 0.984 83 Q CA 1.053 56.874 55.803 0.030 0.000 0.853 83 Q CB 0.167 28.905 28.738 0.000 0.000 0.922 83 Q HN 0.898 nan 8.270 nan 0.000 0.478 84 T N 2.656 117.195 114.554 -0.025 0.000 2.413 84 T HA -0.233 4.117 4.350 0.001 0.000 0.516 84 T C -0.303 174.356 174.700 -0.067 0.000 0.823 84 T CA 1.146 63.200 62.100 -0.077 0.000 2.731 84 T CB -1.552 67.214 68.868 -0.169 0.000 1.694 84 T HN 0.891 nan 8.240 nan 0.000 0.469 85 R N -0.051 120.429 120.500 -0.033 0.000 3.752 85 R HA 0.056 4.397 4.340 0.001 0.000 0.536 85 R C 0.791 177.091 176.300 -0.001 0.000 0.241 85 R CA 1.599 57.691 56.100 -0.012 0.000 1.666 85 R CB -1.254 29.033 30.300 -0.022 0.000 1.026 85 R HN 2.247 nan 8.270 nan 0.000 0.556 86 G N 1.264 110.059 108.800 -0.010 0.000 2.581 86 G HA2 -0.328 3.633 3.960 0.001 0.000 0.291 86 G HA3 -0.328 3.633 3.960 0.001 0.000 0.291 86 G C -0.490 174.415 174.900 0.008 0.000 1.277 86 G CA 1.280 46.377 45.100 -0.006 0.000 0.959 86 G HN 1.258 nan 8.290 nan 0.000 0.554 87 K N -0.415 119.996 120.400 0.018 0.000 2.350 87 K HA 0.697 5.018 4.320 0.001 0.000 0.241 87 K C -3.076 173.541 176.600 0.029 0.000 0.994 87 K CA -1.991 54.307 56.287 0.017 0.000 0.839 87 K CB 1.975 34.482 32.500 0.012 0.000 1.244 87 K HN 0.300 nan 8.250 nan 0.000 0.443 88 P HA -0.072 nan 4.420 nan 0.000 0.258 88 P C -1.072 176.251 177.300 0.037 0.000 1.172 88 P CA 0.568 63.682 63.100 0.023 0.000 0.762 88 P CB 0.375 32.077 31.700 0.004 0.000 0.764 89 Q N 1.295 121.135 119.800 0.067 0.000 2.668 89 Q HA 0.574 4.915 4.340 0.001 0.000 0.298 89 Q C -0.234 175.825 176.000 0.097 0.000 1.071 89 Q CA -0.702 55.143 55.803 0.070 0.000 0.789 89 Q CB 1.953 30.740 28.738 0.083 0.000 1.497 89 Q HN 0.340 nan 8.270 nan 0.000 0.460 90 T N -1.381 113.215 114.554 0.071 0.000 3.633 90 T HA 0.499 4.849 4.350 0.001 0.000 0.278 90 T C -0.113 174.643 174.700 0.093 0.000 0.991 90 T CA -0.382 61.778 62.100 0.099 0.000 1.036 90 T CB 0.350 69.267 68.868 0.081 0.000 1.148 90 T HN 0.317 nan 8.240 nan 0.000 0.501 91 R N 0.460 121.023 120.500 0.104 0.000 2.747 91 R HA 0.663 5.004 4.340 0.001 0.000 0.272 91 R C -1.994 174.319 176.300 0.022 0.000 1.032 91 R CA -1.047 55.022 56.100 -0.051 0.000 0.896 91 R CB 2.041 32.216 30.300 -0.210 0.000 1.253 91 R HN 0.449 nan 8.270 nan 0.000 0.461 92 Y N -1.978 118.208 120.300 -0.191 0.000 2.624 92 Y HA 0.485 5.036 4.550 0.001 0.000 0.334 92 Y C -1.586 174.151 175.900 -0.272 0.000 1.155 92 Y CA -1.369 56.600 58.100 -0.219 0.000 1.046 92 Y CB 0.654 38.966 38.460 -0.246 0.000 1.316 92 Y HN 0.412 nan 8.280 nan 0.000 0.457 93 Y N 1.694 122.026 120.300 0.054 0.000 2.319 93 Y HA 0.593 5.144 4.550 0.001 0.000 0.328 93 Y C 0.527 176.492 175.900 0.108 0.000 1.133 93 Y CA -0.303 57.770 58.100 -0.045 0.000 1.265 93 Y CB 1.139 39.532 38.460 -0.110 0.000 1.218 93 Y HN 0.822 nan 8.280 nan 0.000 0.508 94 A N 3.700 126.674 122.820 0.257 0.000 2.274 94 A HA 0.733 5.054 4.320 0.001 0.000 0.309 94 A C -0.488 177.251 177.584 0.258 0.000 1.226 94 A CA -0.468 51.721 52.037 0.254 0.000 0.853 94 A CB 0.024 19.138 19.000 0.189 0.000 1.146 94 A HN 0.649 nan 8.150 nan 0.000 0.518 95 V N -1.391 118.660 119.914 0.229 0.000 3.167 95 V HA 0.975 5.096 4.120 0.001 0.000 0.310 95 V C -0.056 176.200 176.094 0.271 0.000 1.207 95 V CA -0.645 61.789 62.300 0.223 0.000 1.059 95 V CB 1.353 33.285 31.823 0.182 0.000 1.079 95 V HN 1.635 nan 8.190 nan 0.000 0.446 96 A N 0.716 123.690 122.820 0.257 0.000 2.335 96 A HA 0.897 5.218 4.320 0.001 0.000 0.304 96 A C -0.671 176.994 177.584 0.136 0.000 1.118 96 A CA -0.577 51.662 52.037 0.336 0.000 0.757 96 A CB 1.361 20.613 19.000 0.419 0.000 1.188 96 A HN 1.258 nan 8.150 nan 0.000 0.460 97 V N 1.587 121.522 119.914 0.036 0.000 3.193 97 V HA 0.877 4.997 4.120 0.001 0.000 0.320 97 V C 0.341 176.364 176.094 -0.118 0.000 1.112 97 V CA -0.212 62.069 62.300 -0.032 0.000 1.026 97 V CB 1.392 33.174 31.823 -0.068 0.000 1.128 97 V HN 1.458 nan 8.190 nan 0.000 0.452 98 V N -1.845 118.022 119.914 -0.078 0.000 3.252 98 V HA 0.566 4.686 4.120 0.001 0.000 0.294 98 V C -1.019 175.130 176.094 0.091 0.000 1.661 98 V CA -1.214 61.053 62.300 -0.056 0.000 1.030 98 V CB 1.628 33.397 31.823 -0.090 0.000 1.131 98 V HN 0.822 nan 8.190 nan 0.000 0.480 99 K N 0.527 121.000 120.400 0.122 0.000 2.118 99 K HA 0.542 4.863 4.320 0.001 0.000 0.267 99 K C -0.135 176.502 176.600 0.061 0.000 0.991 99 K CA -0.710 55.657 56.287 0.133 0.000 0.916 99 K CB 1.472 34.006 32.500 0.058 0.000 1.041 99 K HN 0.767 nan 8.250 nan 0.000 0.455 100 K N 1.145 121.538 120.400 -0.012 0.000 2.469 100 K HA 0.019 4.340 4.320 0.001 0.000 0.274 100 K C 0.841 177.449 176.600 0.012 0.000 0.983 100 K CA 1.814 58.098 56.287 -0.004 0.000 0.974 100 K CB 0.282 32.752 32.500 -0.051 0.000 0.913 100 K HN 0.759 nan 8.250 nan 0.000 0.493 101 G N 1.327 110.147 108.800 0.032 0.000 2.990 101 G HA2 -0.418 3.543 3.960 0.001 0.000 0.225 101 G HA3 -0.418 3.543 3.960 0.001 0.000 0.225 101 G C 1.269 176.217 174.900 0.080 0.000 1.304 101 G CA 0.741 45.865 45.100 0.041 0.000 0.816 101 G HN 0.676 nan 8.290 nan 0.000 0.528 102 S N -0.501 115.264 115.700 0.109 0.000 2.206 102 S HA -0.161 4.310 4.470 0.001 0.000 0.454 102 S C 2.812 177.514 174.600 0.171 0.000 1.033 102 S CA 4.148 62.455 58.200 0.179 0.000 2.646 102 S CB -1.118 62.337 63.200 0.425 0.000 1.946 102 S HN 2.677 nan 8.310 nan 0.000 0.522 103 G N 0.080 109.050 108.800 0.284 0.000 3.514 103 G HA2 -0.030 3.931 3.960 0.001 0.000 0.197 103 G HA3 -0.030 3.931 3.960 0.001 0.000 0.197 103 G C 0.143 175.236 174.900 0.321 0.000 1.098 103 G CA 0.020 45.250 45.100 0.217 0.000 0.884 103 G HN 0.730 nan 8.290 nan 0.000 0.433 104 F N 2.403 122.370 119.950 0.028 0.000 2.373 104 F HA 0.827 5.354 4.527 0.001 0.000 0.302 104 F C 0.221 176.055 175.800 0.057 0.000 1.247 104 F CA -1.530 56.494 58.000 0.040 0.000 1.169 104 F CB -0.149 38.879 39.000 0.046 0.000 1.309 104 F HN 0.456 nan 8.300 nan 0.000 0.537 105 Q N 0.213 120.088 119.800 0.126 0.000 2.386 105 Q HA 0.385 4.726 4.340 0.001 0.000 0.274 105 Q C 0.118 176.143 176.000 0.042 0.000 1.011 105 Q CA -0.961 54.837 55.803 -0.009 0.000 0.867 105 Q CB 2.353 31.114 28.738 0.039 0.000 1.409 105 Q HN 0.724 nan 8.270 nan 0.000 0.395 106 L N 1.974 123.213 121.223 0.026 0.000 2.705 106 L HA -0.504 3.837 4.340 0.001 0.000 0.218 106 L C 1.554 178.535 176.870 0.184 0.000 1.743 106 L CA 3.220 58.126 54.840 0.110 0.000 0.755 106 L CB -0.756 41.368 42.059 0.109 0.000 1.336 106 L HN 0.931 nan 8.230 nan 0.000 0.400 107 N N -1.407 117.405 118.700 0.186 0.000 2.216 107 N HA -0.164 4.576 4.740 0.001 0.000 0.183 107 N C 1.340 176.819 175.510 -0.053 0.000 1.017 107 N CA 1.495 54.631 53.050 0.143 0.000 0.861 107 N CB -0.218 38.410 38.487 0.235 0.000 0.986 107 N HN 0.677 nan 8.380 nan 0.000 0.428 108 Q N 0.737 120.587 119.800 0.084 0.000 2.515 108 Q HA 0.090 4.430 4.340 0.001 0.000 0.212 108 Q C 1.733 177.880 176.000 0.245 0.000 0.970 108 Q CA -0.033 55.841 55.803 0.119 0.000 0.941 108 Q CB 0.116 28.980 28.738 0.209 0.000 0.998 108 Q HN 0.342 nan 8.270 nan 0.000 0.518 109 L N 0.935 122.341 121.223 0.304 0.000 2.197 109 L HA -0.182 4.159 4.340 0.001 0.000 0.215 109 L C 1.318 178.446 176.870 0.430 0.000 1.095 109 L CA 1.388 56.540 54.840 0.521 0.000 0.764 109 L CB -0.906 41.494 42.059 0.568 0.000 0.897 109 L HN 0.431 nan 8.230 nan 0.000 0.436 110 Q N 0.442 120.235 119.800 -0.012 0.000 2.386 110 Q HA 0.215 4.556 4.340 0.001 0.000 0.282 110 Q C 0.828 176.756 176.000 -0.120 0.000 1.050 110 Q CA 1.046 56.578 55.803 -0.451 0.000 0.918 110 Q CB 0.309 28.603 28.738 -0.741 0.000 1.266 110 Q HN 0.356 nan 8.270 nan 0.000 0.423 111 G N 1.555 110.306 108.800 -0.081 0.000 2.272 111 G HA2 -0.111 3.850 3.960 0.001 0.000 0.280 111 G HA3 -0.111 3.850 3.960 0.001 0.000 0.280 111 G C -0.568 174.364 174.900 0.054 0.000 1.067 111 G CA 0.110 45.207 45.100 -0.004 0.000 0.902 111 G HN 0.807 nan 8.290 nan 0.000 0.500 112 V N -1.906 118.130 119.914 0.202 0.000 3.202 112 V HA 0.637 4.758 4.120 0.001 0.000 0.306 112 V C -0.086 176.065 176.094 0.094 0.000 1.283 112 V CA -1.575 60.801 62.300 0.126 0.000 1.065 112 V CB 2.117 34.071 31.823 0.219 0.000 1.079 112 V HN 0.269 nan 8.190 nan 0.000 0.448 113 K N 1.735 122.115 120.400 -0.033 0.000 2.264 113 K HA 0.593 4.913 4.320 0.001 0.000 0.277 113 K C 0.079 176.480 176.600 -0.333 0.000 1.067 113 K CA -0.101 56.096 56.287 -0.149 0.000 0.900 113 K CB 1.298 33.741 32.500 -0.095 0.000 1.124 113 K HN 0.884 nan 8.250 nan 0.000 0.469 114 S N 1.063 116.368 115.700 -0.658 0.000 2.719 114 S HA 0.576 5.047 4.470 0.001 0.000 0.285 114 S C -0.220 173.900 174.600 -0.800 0.000 1.137 114 S CA -0.768 56.890 58.200 -0.903 0.000 1.012 114 S CB 0.966 63.267 63.200 -1.499 0.000 1.134 114 S HN 0.595 nan 8.310 nan 0.000 0.544 115 c N 1.388 119.362 118.600 -1.044 0.000 2.642 115 c HA 0.658 5.228 4.570 0.001 0.000 0.344 115 c C -1.154 172.440 174.090 -0.825 0.000 1.110 115 c CA -0.668 55.180 56.329 -0.802 0.000 1.298 115 c CB 0.548 42.699 42.510 -0.598 0.000 1.827 115 c HN 0.916 nan 8.230 nan 0.000 0.467 116 H N 1.083 120.149 119.070 -0.006 0.000 2.679 116 H HA 0.288 4.845 4.556 0.001 0.000 0.360 116 H C 0.940 176.332 175.328 0.107 0.000 1.105 116 H CA -0.028 56.117 56.048 0.161 0.000 1.196 116 H CB 1.773 31.731 29.762 0.327 0.000 1.636 116 H HN 0.739 nan 8.280 nan 0.000 0.531 117 T N 0.432 115.106 114.554 0.201 0.000 2.759 117 T HA 0.032 4.383 4.350 0.001 0.000 0.269 117 T C 0.975 175.661 174.700 -0.023 0.000 1.042 117 T CA 0.979 63.081 62.100 0.004 0.000 1.140 117 T CB 0.002 68.782 68.868 -0.146 0.000 0.864 117 T HN 0.815 nan 8.240 nan 0.000 0.455 118 G N 0.280 109.148 108.800 0.113 0.000 2.443 118 G HA2 0.430 4.391 3.960 0.001 0.000 0.303 118 G HA3 0.430 4.391 3.960 0.001 0.000 0.303 118 G C -1.458 173.514 174.900 0.119 0.000 1.613 118 G CA -0.796 44.375 45.100 0.118 0.000 0.879 118 G HN 0.544 nan 8.290 nan 0.000 0.632 119 L N 2.277 123.512 121.223 0.019 0.000 2.499 119 L HA 0.504 4.845 4.340 0.001 0.000 0.273 119 L C 1.443 178.166 176.870 -0.245 0.000 1.195 119 L CA 2.639 57.313 54.840 -0.277 0.000 0.882 119 L CB 0.702 42.485 42.059 -0.459 0.000 1.133 119 L HN 2.211 nan 8.230 nan 0.000 0.483 120 G N 3.545 112.099 108.800 -0.410 0.000 2.956 120 G HA2 -0.271 3.689 3.960 0.001 0.000 0.210 120 G HA3 -0.271 3.689 3.960 0.001 0.000 0.210 120 G C 0.457 175.425 174.900 0.113 0.000 1.316 120 G CA -0.004 45.014 45.100 -0.138 0.000 0.819 120 G HN 0.730 nan 8.290 nan 0.000 0.544 121 R N 1.949 122.524 120.500 0.125 0.000 2.478 121 R HA 0.228 4.569 4.340 0.001 0.000 0.281 121 R C 2.018 178.500 176.300 0.303 0.000 0.939 121 R CA 0.565 56.776 56.100 0.186 0.000 1.120 121 R CB 0.391 30.770 30.300 0.131 0.000 0.885 121 R HN 0.643 nan 8.270 nan 0.000 0.415 122 S N 3.091 118.992 115.700 0.335 0.000 2.369 122 S HA -0.352 4.118 4.470 0.001 0.000 0.225 122 S C 2.101 176.904 174.600 0.339 0.000 1.043 122 S CA 1.228 59.650 58.200 0.370 0.000 1.074 122 S CB -0.516 62.972 63.200 0.480 0.000 0.962 122 S HN 0.788 nan 8.310 nan 0.000 0.433 123 A N 2.242 125.313 122.820 0.418 0.000 1.870 123 A HA 0.003 4.323 4.320 0.001 0.000 0.219 123 A C 2.129 179.950 177.584 0.394 0.000 1.224 123 A CA 1.870 54.191 52.037 0.472 0.000 0.650 123 A CB -1.559 17.884 19.000 0.738 0.000 0.836 123 A HN 0.759 nan 8.150 nan 0.000 0.454 124 G N -3.989 105.050 108.800 0.398 0.000 3.678 124 G HA2 0.373 4.334 3.960 0.001 0.000 0.287 124 G HA3 0.373 4.334 3.960 0.001 0.000 0.287 124 G C 0.309 175.493 174.900 0.474 0.000 1.280 124 G CA 0.402 45.775 45.100 0.455 0.000 1.118 124 G HN 0.642 nan 8.290 nan 0.000 0.563 125 W N -0.721 120.644 121.300 0.108 0.000 4.518 125 W HA -0.073 4.587 4.660 0.001 0.000 0.160 125 W C 0.638 177.119 176.519 -0.063 0.000 3.470 125 W CA 0.156 57.485 57.345 -0.026 0.000 1.183 125 W CB -0.693 28.756 29.460 -0.019 0.000 2.083 125 W HN 0.112 nan 8.180 nan 0.000 0.403 126 N N 1.988 120.831 118.700 0.238 0.000 2.055 126 N HA -0.242 4.499 4.740 0.001 0.000 0.200 126 N C 1.504 176.938 175.510 -0.127 0.000 1.037 126 N CA 3.018 56.109 53.050 0.069 0.000 0.881 126 N CB -0.996 37.554 38.487 0.105 0.000 1.075 126 N HN 0.112 nan 8.380 nan 0.000 0.470 127 I N 1.305 121.833 120.570 -0.070 0.000 2.099 127 I HA -0.166 4.005 4.170 0.001 0.000 0.239 127 I C -0.572 175.401 176.117 -0.240 0.000 1.066 127 I CA 1.402 62.630 61.300 -0.119 0.000 1.324 127 I CB -2.659 35.327 38.000 -0.023 0.000 1.037 127 I HN 0.070 nan 8.210 nan 0.000 0.401 128 P HA -0.200 nan 4.420 nan 0.000 0.209 128 P C 2.045 178.999 177.300 -0.577 0.000 1.167 128 P CA 1.690 64.425 63.100 -0.610 0.000 0.941 128 P CB -0.136 31.151 31.700 -0.688 0.000 0.787 129 I N -0.955 119.213 120.570 -0.671 0.000 2.151 129 I HA -0.211 3.960 4.170 0.001 0.000 0.243 129 I C 2.479 178.320 176.117 -0.460 0.000 1.080 129 I CA 2.361 63.234 61.300 -0.712 0.000 1.339 129 I CB -2.490 34.888 38.000 -1.036 0.000 1.039 129 I HN 0.073 nan 8.210 nan 0.000 0.409 130 G N 1.070 109.652 108.800 -0.363 0.000 2.586 130 G HA2 -0.314 3.647 3.960 0.001 0.000 0.218 130 G HA3 -0.314 3.647 3.960 0.001 0.000 0.218 130 G C 1.619 176.395 174.900 -0.207 0.000 1.216 130 G CA 2.050 47.012 45.100 -0.230 0.000 0.786 130 G HN 0.408 nan 8.290 nan 0.000 0.583 131 T N 1.166 115.592 114.554 -0.213 0.000 2.759 131 T HA -0.056 4.295 4.350 0.001 0.000 0.269 131 T C 2.400 176.995 174.700 -0.175 0.000 1.042 131 T CA 1.128 63.122 62.100 -0.176 0.000 1.140 131 T CB -0.157 68.618 68.868 -0.153 0.000 0.864 131 T HN 0.148 nan 8.240 nan 0.000 0.455 132 L N 0.059 121.163 121.223 -0.198 0.000 2.095 132 L HA 0.032 4.372 4.340 0.001 0.000 0.204 132 L C 2.851 179.662 176.870 -0.099 0.000 1.080 132 L CA 0.622 55.415 54.840 -0.078 0.000 0.759 132 L CB -0.441 41.467 42.059 -0.251 0.000 0.914 132 L HN 0.140 nan 8.230 nan 0.000 0.439 133 R N 0.272 120.664 120.500 -0.179 0.000 2.312 133 R HA -0.309 4.031 4.340 0.001 0.000 0.233 133 R C -0.446 175.852 176.300 -0.004 0.000 1.097 133 R CA 3.098 59.156 56.100 -0.070 0.000 0.864 133 R CB -2.131 28.150 30.300 -0.032 0.000 0.987 133 R HN 0.178 nan 8.270 nan 0.000 0.405 134 P HA -0.213 nan 4.420 nan 0.000 0.223 134 P C 0.021 177.300 177.300 -0.035 0.000 1.073 134 P CA 1.987 64.969 63.100 -0.197 0.000 1.008 134 P CB -0.479 30.946 31.700 -0.457 0.000 0.760 135 Y N -1.991 118.367 120.300 0.096 0.000 2.425 135 Y HA 0.588 5.138 4.550 0.001 0.000 0.347 135 Y C 1.252 177.308 175.900 0.259 0.000 0.976 135 Y CA -0.954 57.231 58.100 0.142 0.000 1.190 135 Y CB 0.430 38.971 38.460 0.134 0.000 1.136 135 Y HN -0.107 nan 8.280 nan 0.000 0.517 136 L N 2.210 123.678 121.223 0.410 0.000 3.610 136 L HA 0.127 4.467 4.340 0.001 0.000 0.362 136 L C 0.294 177.353 176.870 0.315 0.000 1.003 136 L CA 0.030 55.136 54.840 0.443 0.000 1.443 136 L CB 0.530 42.806 42.059 0.361 0.000 2.184 136 L HN 0.889 nan 8.230 nan 0.000 0.613 137 N N -1.116 117.730 118.700 0.244 0.000 2.994 137 N HA -0.222 4.519 4.740 0.001 0.000 0.246 137 N C -0.742 174.916 175.510 0.248 0.000 1.061 137 N CA 0.777 53.940 53.050 0.188 0.000 0.845 137 N CB -0.700 37.876 38.487 0.148 0.000 1.119 137 N HN 0.475 nan 8.380 nan 0.000 0.551 138 W N 0.558 121.899 121.300 0.068 0.000 2.719 138 W HA 0.675 5.335 4.660 0.001 0.000 0.352 138 W C 0.993 177.534 176.519 0.038 0.000 1.085 138 W CA 0.405 57.783 57.345 0.056 0.000 1.187 138 W CB 0.656 30.151 29.460 0.059 0.000 1.417 138 W HN 0.090 nan 8.180 nan 0.000 0.557 139 T N 1.098 115.200 114.554 -0.753 0.000 2.435 139 T HA 0.649 5.000 4.350 0.001 0.000 0.177 139 T C 0.591 174.486 174.700 -1.342 0.000 0.716 139 T CA 0.301 61.926 62.100 -0.792 0.000 1.523 139 T CB -0.606 68.067 68.868 -0.325 0.000 2.878 139 T HN 0.633 nan 8.240 nan 0.000 0.405 140 G N 1.302 109.696 108.800 -0.676 0.000 2.509 140 G HA2 0.532 4.493 3.960 0.001 0.000 0.328 140 G HA3 0.532 4.493 3.960 0.001 0.000 0.328 140 G C -1.796 173.189 174.900 0.142 0.000 1.194 140 G CA -1.745 43.117 45.100 -0.397 0.000 0.967 140 G HN 0.290 nan 8.290 nan 0.000 0.488 141 P HA -0.166 nan 4.420 nan 0.000 0.220 141 P C -1.155 176.335 177.300 0.318 0.000 1.155 141 P CA 1.653 65.019 63.100 0.445 0.000 0.880 141 P CB -0.784 31.074 31.700 0.263 0.000 0.790 142 P HA -0.197 nan 4.420 nan 0.000 0.221 142 P C 0.692 178.104 177.300 0.187 0.000 1.160 142 P CA 1.582 64.778 63.100 0.159 0.000 0.933 142 P CB -0.610 31.160 31.700 0.117 0.000 0.793 143 E N 0.489 120.845 120.200 0.259 0.000 1.932 143 E HA 0.157 4.508 4.350 0.001 0.000 0.275 143 E C -2.156 174.585 176.600 0.234 0.000 1.159 143 E CA -2.529 54.022 56.400 0.251 0.000 0.905 143 E CB -0.264 29.613 29.700 0.295 0.000 1.059 143 E HN 0.052 nan 8.360 nan 0.000 0.400 144 P HA -0.215 nan 4.420 nan 0.000 0.269 144 P C 0.358 177.588 177.300 -0.117 0.000 1.153 144 P CA 0.248 63.387 63.100 0.065 0.000 0.754 144 P CB 0.440 32.229 31.700 0.148 0.000 0.758 145 L N 4.323 125.404 121.223 -0.237 0.000 2.056 145 L HA -0.222 4.119 4.340 0.001 0.000 0.207 145 L C 2.336 179.073 176.870 -0.222 0.000 1.078 145 L CA 1.750 56.285 54.840 -0.507 0.000 0.749 145 L CB -1.063 40.825 42.059 -0.285 0.000 0.901 145 L HN 0.376 nan 8.230 nan 0.000 0.433 146 Q N 0.153 119.899 119.800 -0.090 0.000 2.028 146 Q HA -0.337 4.003 4.340 0.001 0.000 0.213 146 Q C 1.989 178.029 176.000 0.068 0.000 1.017 146 Q CA 2.530 58.270 55.803 -0.105 0.000 0.875 146 Q CB -0.742 27.574 28.738 -0.704 0.000 0.962 146 Q HN 0.606 nan 8.270 nan 0.000 0.413 147 K N 1.116 121.680 120.400 0.273 0.000 2.001 147 K HA -0.251 4.070 4.320 0.001 0.000 0.223 147 K C 2.323 179.015 176.600 0.153 0.000 1.055 147 K CA 1.587 58.083 56.287 0.348 0.000 0.965 147 K CB -0.729 31.924 32.500 0.255 0.000 0.730 147 K HN 0.276 nan 8.250 nan 0.000 0.449 148 A N 1.637 124.453 122.820 -0.007 0.000 1.873 148 A HA -0.255 4.065 4.320 0.001 0.000 0.219 148 A C 2.557 180.157 177.584 0.027 0.000 1.269 148 A CA 2.721 54.735 52.037 -0.038 0.000 0.671 148 A CB -1.356 17.429 19.000 -0.358 0.000 0.842 148 A HN 0.150 nan 8.150 nan 0.000 0.460 149 V N -0.251 119.619 119.914 -0.074 0.000 2.215 149 V HA -0.329 3.792 4.120 0.001 0.000 0.249 149 V C 3.026 179.220 176.094 0.167 0.000 1.054 149 V CA 2.823 65.082 62.300 -0.067 0.000 1.012 149 V CB -1.750 30.028 31.823 -0.074 0.000 0.639 149 V HN 0.824 nan 8.190 nan 0.000 0.448 150 A N 0.582 123.543 122.820 0.235 0.000 1.935 150 A HA -0.328 3.993 4.320 0.001 0.000 0.224 150 A C 1.586 179.343 177.584 0.289 0.000 1.324 150 A CA 2.730 54.949 52.037 0.304 0.000 0.686 150 A CB -0.828 18.379 19.000 0.346 0.000 0.837 150 A HN 0.730 nan 8.150 nan 0.000 0.481 151 N N -2.110 116.731 118.700 0.235 0.000 2.538 151 N HA 0.299 5.040 4.740 0.001 0.000 0.291 151 N C 0.249 175.869 175.510 0.184 0.000 1.323 151 N CA 0.190 53.357 53.050 0.196 0.000 0.934 151 N CB 0.499 39.072 38.487 0.144 0.000 1.255 151 N HN 0.653 nan 8.380 nan 0.000 0.509 152 F N 0.023 119.991 119.950 0.029 0.000 2.480 152 F HA 0.358 4.885 4.527 0.001 0.000 0.280 152 F C 0.404 176.184 175.800 -0.035 0.000 1.002 152 F CA -0.078 57.873 58.000 -0.082 0.000 1.325 152 F CB 0.136 38.978 39.000 -0.264 0.000 1.134 152 F HN -0.248 nan 8.300 nan 0.000 0.646 153 F N 0.964 121.198 119.950 0.473 0.000 2.173 153 F HA 0.252 4.780 4.527 0.001 0.000 0.280 153 F C 1.982 177.871 175.800 0.149 0.000 1.175 153 F CA 0.212 58.407 58.000 0.326 0.000 1.166 153 F CB -0.200 39.017 39.000 0.361 0.000 1.589 153 F HN -0.194 nan 8.300 nan 0.000 0.513 154 S N -0.820 115.100 115.700 0.366 0.000 2.460 154 S HA 0.549 5.020 4.470 0.001 0.000 0.226 154 S C 0.349 175.053 174.600 0.174 0.000 1.057 154 S CA 0.537 58.847 58.200 0.182 0.000 0.948 154 S CB 0.298 63.559 63.200 0.102 0.000 0.822 154 S HN 0.703 nan 8.310 nan 0.000 0.512 155 A N 0.434 123.357 122.820 0.170 0.000 3.287 155 A HA 0.765 5.086 4.320 0.001 0.000 0.299 155 A C -0.754 176.870 177.584 0.066 0.000 1.086 155 A CA 0.088 52.208 52.037 0.138 0.000 0.586 155 A CB 0.193 19.246 19.000 0.088 0.000 1.539 155 A HN 1.046 nan 8.150 nan 0.000 0.694 156 S N -2.293 113.438 115.700 0.052 0.000 2.569 156 S HA 0.363 4.834 4.470 0.001 0.000 0.280 156 S C -1.242 173.408 174.600 0.083 0.000 1.044 156 S CA 0.136 58.328 58.200 -0.013 0.000 1.089 156 S CB -0.037 63.142 63.200 -0.035 0.000 1.299 156 S HN 2.632 nan 8.310 nan 0.000 0.453 157 c N 2.510 121.164 118.600 0.090 0.000 2.919 157 c HA 0.676 5.246 4.570 0.001 0.000 0.337 157 c C -0.666 173.558 174.090 0.223 0.000 1.039 157 c CA 0.201 56.628 56.329 0.162 0.000 1.373 157 c CB -0.421 42.206 42.510 0.196 0.000 1.843 157 c HN 1.203 nan 8.230 nan 0.000 0.493 158 V N 6.667 126.745 119.914 0.273 0.000 2.192 158 V HA 0.356 4.477 4.120 0.001 0.000 0.264 158 V C -1.301 174.895 176.094 0.169 0.000 1.155 158 V CA -1.453 61.024 62.300 0.295 0.000 1.005 158 V CB -0.138 31.875 31.823 0.317 0.000 1.201 158 V HN 0.597 nan 8.190 nan 0.000 0.468 159 P HA -0.320 nan 4.420 nan 0.000 0.250 159 P C 1.588 178.941 177.300 0.088 0.000 0.775 159 P CA 2.663 65.869 63.100 0.178 0.000 1.105 159 P CB -0.203 31.680 31.700 0.305 0.000 0.784 160 c N -1.763 116.881 118.600 0.073 0.000 2.385 160 c HA 0.087 4.658 4.570 0.001 0.000 0.306 160 c C 1.636 175.664 174.090 -0.104 0.000 1.433 160 c CA -0.278 56.044 56.329 -0.012 0.000 1.796 160 c CB -2.428 40.089 42.510 0.011 0.000 1.749 160 c HN 0.409 nan 8.230 nan 0.000 0.565 161 A N 1.028 123.783 122.820 -0.108 0.000 2.475 161 A HA 0.286 4.606 4.320 0.001 0.000 0.239 161 A C 0.061 177.579 177.584 -0.109 0.000 1.087 161 A CA 0.205 52.139 52.037 -0.172 0.000 0.779 161 A CB 0.100 19.036 19.000 -0.106 0.000 1.036 161 A HN 0.546 nan 8.150 nan 0.000 0.506 162 D N 0.014 120.328 120.400 -0.143 0.000 2.359 162 D HA 0.468 5.108 4.640 0.001 0.000 0.230 162 D C 1.155 177.547 176.300 0.154 0.000 1.118 162 D CA 0.449 54.447 54.000 -0.003 0.000 0.844 162 D CB 0.789 41.607 40.800 0.030 0.000 1.059 162 D HN 0.431 nan 8.370 nan 0.000 0.493 163 G N 3.851 112.724 108.800 0.121 0.000 2.464 163 G HA2 -0.211 3.750 3.960 0.001 0.000 0.217 163 G HA3 -0.211 3.750 3.960 0.001 0.000 0.217 163 G C 1.379 176.364 174.900 0.143 0.000 1.138 163 G CA 0.456 45.643 45.100 0.145 0.000 0.793 163 G HN 0.516 nan 8.290 nan 0.000 0.539 164 K N 0.123 120.594 120.400 0.118 0.000 1.986 164 K HA -0.291 4.030 4.320 0.001 0.000 0.230 164 K C 2.556 179.184 176.600 0.046 0.000 1.048 164 K CA 2.355 58.686 56.287 0.074 0.000 1.008 164 K CB -0.192 32.347 32.500 0.065 0.000 0.737 164 K HN 0.286 nan 8.250 nan 0.000 0.447 165 Q N -1.181 118.642 119.800 0.040 0.000 2.187 165 Q HA -0.007 4.334 4.340 0.001 0.000 0.199 165 Q C -0.164 175.629 176.000 -0.344 0.000 0.957 165 Q CA 1.052 56.722 55.803 -0.222 0.000 0.857 165 Q CB 0.163 28.625 28.738 -0.461 0.000 0.929 165 Q HN 0.366 nan 8.270 nan 0.000 0.453 166 Y N 0.614 120.933 120.300 0.032 0.000 2.320 166 Y HA 0.219 4.770 4.550 0.001 0.000 0.334 166 Y C -1.723 174.210 175.900 0.056 0.000 1.055 166 Y CA -2.659 55.471 58.100 0.050 0.000 1.143 166 Y CB 0.697 39.193 38.460 0.059 0.000 1.193 166 Y HN 0.002 nan 8.280 nan 0.000 0.477 167 P HA -0.037 nan 4.420 nan 0.000 0.194 167 P C 0.490 177.882 177.300 0.153 0.000 1.105 167 P CA 0.859 64.037 63.100 0.130 0.000 0.797 167 P CB 0.350 32.106 31.700 0.093 0.000 0.687 168 N N 0.804 119.593 118.700 0.149 0.000 2.217 168 N HA -0.231 4.510 4.740 0.001 0.000 0.195 168 N C 1.969 177.583 175.510 0.173 0.000 0.950 168 N CA 1.706 54.848 53.050 0.155 0.000 0.910 168 N CB -1.617 36.977 38.487 0.178 0.000 1.073 168 N HN 0.194 nan 8.380 nan 0.000 0.663 169 L N 0.079 121.432 121.223 0.218 0.000 2.103 169 L HA -0.205 4.136 4.340 0.001 0.000 0.215 169 L C 1.821 178.799 176.870 0.181 0.000 1.080 169 L CA 1.104 56.080 54.840 0.227 0.000 0.764 169 L CB -0.389 41.802 42.059 0.219 0.000 0.890 169 L HN 0.349 nan 8.230 nan 0.000 0.435 170 c N -1.547 117.144 118.600 0.150 0.000 2.881 170 c HA 0.126 4.697 4.570 0.001 0.000 0.290 170 c C 2.389 176.544 174.090 0.108 0.000 1.362 170 c CA -0.632 55.771 56.329 0.123 0.000 1.757 170 c CB -0.660 41.911 42.510 0.101 0.000 2.265 170 c HN 0.364 nan 8.230 nan 0.000 0.600 171 R N 0.692 121.258 120.500 0.111 0.000 2.054 171 R HA 0.067 4.407 4.340 0.001 0.000 0.223 171 R C 1.874 178.227 176.300 0.089 0.000 1.176 171 R CA 1.154 57.308 56.100 0.090 0.000 0.934 171 R CB -0.450 29.902 30.300 0.087 0.000 0.828 171 R HN 0.399 nan 8.270 nan 0.000 0.441 172 L N 1.532 122.812 121.223 0.095 0.000 2.456 172 L HA -0.203 4.138 4.340 0.001 0.000 0.225 172 L C 1.077 178.057 176.870 0.183 0.000 1.142 172 L CA 0.103 55.011 54.840 0.113 0.000 0.796 172 L CB -0.669 41.436 42.059 0.077 0.000 0.920 172 L HN 0.402 nan 8.230 nan 0.000 0.446 173 c N -0.260 118.440 118.600 0.167 0.000 2.812 173 c HA 0.072 4.642 4.570 0.001 0.000 0.395 173 c C 1.762 175.865 174.090 0.022 0.000 1.256 173 c CA 0.342 56.773 56.329 0.170 0.000 1.962 173 c CB 0.368 42.949 42.510 0.118 0.000 2.701 173 c HN 0.560 nan 8.230 nan 0.000 0.702 174 A N 0.750 123.481 122.820 -0.148 0.000 2.469 174 A HA 0.471 4.792 4.320 0.001 0.000 0.245 174 A C 1.085 178.582 177.584 -0.145 0.000 1.221 174 A CA 0.582 52.471 52.037 -0.247 0.000 0.946 174 A CB -0.518 18.142 19.000 -0.566 0.000 1.049 174 A HN 1.170 nan 8.150 nan 0.000 0.529 175 G N 1.295 110.047 108.800 -0.080 0.000 2.287 175 G HA2 0.286 4.247 3.960 0.001 0.000 0.235 175 G HA3 0.286 4.247 3.960 0.001 0.000 0.235 175 G C 0.854 175.727 174.900 -0.045 0.000 1.258 175 G CA 0.634 45.703 45.100 -0.051 0.000 0.884 175 G HN 0.559 nan 8.290 nan 0.000 0.518 176 T N 1.108 115.636 114.554 -0.044 0.000 5.610 176 T HA 0.019 4.369 4.350 0.001 0.000 0.419 176 T C 1.493 176.179 174.700 -0.024 0.000 0.955 176 T CA 0.816 62.896 62.100 -0.034 0.000 0.885 176 T CB -0.005 68.844 68.868 -0.032 0.000 1.306 176 T HN 0.526 nan 8.240 nan 0.000 0.393 177 E N 1.830 122.018 120.200 -0.020 0.000 1.969 177 E HA -0.155 4.195 4.350 0.001 0.000 0.222 177 E C 2.133 178.726 176.600 -0.012 0.000 0.996 177 E CA 1.792 58.183 56.400 -0.015 0.000 0.886 177 E CB -0.922 28.769 29.700 -0.014 0.000 0.810 177 E HN 0.776 nan 8.360 nan 0.000 0.545 178 A N 0.437 123.248 122.820 -0.015 0.000 2.470 178 A HA 0.047 4.368 4.320 0.001 0.000 0.251 178 A C 1.082 178.654 177.584 -0.020 0.000 1.245 178 A CA 0.035 52.064 52.037 -0.013 0.000 0.932 178 A CB 0.237 19.229 19.000 -0.013 0.000 1.037 178 A HN 0.068 nan 8.150 nan 0.000 0.522 179 D N 0.494 120.878 120.400 -0.026 0.000 2.363 179 D HA 0.006 4.647 4.640 0.001 0.000 0.226 179 D C 0.714 176.994 176.300 -0.035 0.000 1.020 179 D CA 0.532 54.509 54.000 -0.037 0.000 0.892 179 D CB -0.005 40.770 40.800 -0.041 0.000 0.900 179 D HN 0.302 nan 8.370 nan 0.000 0.531 180 K N -0.121 120.267 120.400 -0.019 0.000 2.249 180 K HA 0.150 4.470 4.320 0.001 0.000 0.280 180 K C -0.120 176.486 176.600 0.009 0.000 1.033 180 K CA -0.221 56.064 56.287 -0.003 0.000 0.946 180 K CB 0.698 33.201 32.500 0.006 0.000 1.005 180 K HN 0.093 nan 8.250 nan 0.000 0.469 181 c N 2.524 121.144 118.600 0.032 0.000 4.545 181 c HA -0.171 4.400 4.570 0.001 0.000 0.300 181 c C 0.264 174.363 174.090 0.016 0.000 1.337 181 c CA 0.389 56.747 56.329 0.049 0.000 2.032 181 c CB -2.444 40.096 42.510 0.050 0.000 1.236 181 c HN 0.785 nan 8.230 nan 0.000 0.774 182 A N -0.434 122.372 122.820 -0.024 0.000 2.301 182 A HA 0.518 4.839 4.320 0.001 0.000 0.298 182 A C 0.751 178.265 177.584 -0.117 0.000 1.185 182 A CA 0.465 52.449 52.037 -0.089 0.000 0.830 182 A CB 0.432 19.343 19.000 -0.149 0.000 1.112 182 A HN 1.198 nan 8.150 nan 0.000 0.508 183 c N 3.295 121.862 118.600 -0.056 0.000 2.428 183 c HA 0.392 4.963 4.570 0.001 0.000 0.347 183 c C 1.244 175.305 174.090 -0.047 0.000 1.345 183 c CA 0.684 57.052 56.329 0.065 0.000 1.586 183 c CB -2.992 39.579 42.510 0.103 0.000 1.638 183 c HN 0.950 nan 8.230 nan 0.000 0.597 184 S N -2.190 113.112 115.700 -0.662 0.000 2.705 184 S HA 0.397 4.868 4.470 0.001 0.000 0.280 184 S C 0.798 174.173 174.600 -2.042 0.000 1.174 184 S CA 0.097 57.640 58.200 -1.096 0.000 0.823 184 S CB 1.062 64.030 63.200 -0.387 0.000 1.162 184 S HN 0.144 nan 8.310 nan 0.000 0.487 185 S N 0.998 115.959 115.700 -1.232 0.000 2.372 185 S HA -0.202 4.269 4.470 0.001 0.000 0.227 185 S C 1.938 176.332 174.600 -0.343 0.000 1.044 185 S CA 1.896 59.767 58.200 -0.548 0.000 1.050 185 S CB -0.739 62.431 63.200 -0.051 0.000 0.901 185 S HN 0.645 nan 8.310 nan 0.000 0.447 186 Q N 0.949 120.572 119.800 -0.294 0.000 1.910 186 Q HA -0.224 4.116 4.340 0.001 0.000 0.241 186 Q C 1.040 176.967 176.000 -0.122 0.000 1.057 186 Q CA 1.739 57.443 55.803 -0.166 0.000 0.898 186 Q CB -1.178 27.467 28.738 -0.155 0.000 1.016 186 Q HN 0.788 nan 8.270 nan 0.000 0.424 187 E N 3.471 123.592 120.200 -0.132 0.000 2.585 187 E HA 0.006 4.357 4.350 0.001 0.000 0.252 187 E C -2.319 174.294 176.600 0.022 0.000 0.981 187 E CA -1.040 55.331 56.400 -0.049 0.000 0.943 187 E CB 0.492 30.183 29.700 -0.015 0.000 0.923 187 E HN 0.041 nan 8.360 nan 0.000 0.486 188 P HA 0.057 nan 4.420 nan 0.000 0.279 188 P C -0.728 176.658 177.300 0.144 0.000 1.239 188 P CA -0.106 63.027 63.100 0.055 0.000 0.789 188 P CB 0.481 32.143 31.700 -0.064 0.000 0.933 189 Y N -1.041 119.343 120.300 0.141 0.000 4.585 189 Y HA -0.173 4.377 4.550 0.001 0.000 0.316 189 Y C 0.176 176.170 175.900 0.155 0.000 0.911 189 Y CA -0.431 57.739 58.100 0.117 0.000 1.491 189 Y CB -2.618 35.891 38.460 0.082 0.000 0.771 189 Y HN 0.395 nan 8.280 nan 0.000 0.395 190 F N 1.905 121.961 119.950 0.176 0.000 2.443 190 F HA 0.542 5.070 4.527 0.001 0.000 0.353 190 F C 0.745 176.579 175.800 0.056 0.000 1.101 190 F CA 0.980 59.038 58.000 0.095 0.000 1.226 190 F CB 0.821 39.861 39.000 0.067 0.000 1.140 190 F HN 0.459 nan 8.300 nan 0.000 0.557 191 G N 4.370 112.788 108.800 -0.636 0.000 2.525 191 G HA2 -0.249 3.712 3.960 0.001 0.000 0.685 191 G HA3 -0.249 3.712 3.960 0.001 0.000 0.685 191 G C -0.565 174.142 174.900 -0.321 0.000 1.290 191 G CA -0.318 44.400 45.100 -0.637 0.000 0.915 191 G HN 0.731 nan 8.290 nan 0.000 0.548 192 Y N 0.581 120.826 120.300 -0.090 0.000 2.109 192 Y HA -0.001 4.549 4.550 0.001 0.000 0.285 192 Y C 3.403 179.302 175.900 -0.002 0.000 1.131 192 Y CA 2.247 60.322 58.100 -0.042 0.000 1.121 192 Y CB -0.931 37.477 38.460 -0.086 0.000 0.987 192 Y HN 0.522 nan 8.280 nan 0.000 0.495 193 S N 0.040 115.827 115.700 0.145 0.000 2.365 193 S HA -0.243 4.228 4.470 0.001 0.000 0.221 193 S C 2.446 177.140 174.600 0.157 0.000 1.037 193 S CA 1.501 59.759 58.200 0.097 0.000 1.060 193 S CB -1.274 61.964 63.200 0.062 0.000 0.974 193 S HN 0.661 nan 8.310 nan 0.000 0.427 194 G N 1.654 110.544 108.800 0.149 0.000 2.631 194 G HA2 -0.260 3.700 3.960 0.001 0.000 0.219 194 G HA3 -0.260 3.700 3.960 0.001 0.000 0.219 194 G C 1.619 176.604 174.900 0.141 0.000 1.214 194 G CA 1.510 46.746 45.100 0.228 0.000 0.785 194 G HN 0.651 nan 8.290 nan 0.000 0.596 195 A N 0.181 123.025 122.820 0.039 0.000 1.958 195 A HA -0.095 4.226 4.320 0.001 0.000 0.221 195 A C 2.214 179.701 177.584 -0.161 0.000 1.178 195 A CA 1.979 53.943 52.037 -0.122 0.000 0.642 195 A CB -0.621 18.352 19.000 -0.044 0.000 0.816 195 A HN 0.557 nan 8.150 nan 0.000 0.453 196 F N 0.716 120.577 119.950 -0.149 0.000 2.095 196 F HA -0.214 4.313 4.527 0.001 0.000 0.298 196 F C 2.246 177.922 175.800 -0.207 0.000 1.104 196 F CA 2.210 60.101 58.000 -0.181 0.000 1.232 196 F CB -0.063 38.856 39.000 -0.135 0.000 0.987 196 F HN 0.046 nan 8.300 nan 0.000 0.475 197 K N 0.294 120.771 120.400 0.128 0.000 2.015 197 K HA -0.332 3.989 4.320 0.001 0.000 0.216 197 K C 2.362 178.822 176.600 -0.233 0.000 1.052 197 K CA 1.631 57.978 56.287 0.100 0.000 0.937 197 K CB -1.705 31.015 32.500 0.368 0.000 0.719 197 K HN 0.573 nan 8.250 nan 0.000 0.446 198 c N 1.719 119.792 118.600 -0.878 0.000 2.383 198 c HA -0.217 4.354 4.570 0.001 0.000 0.271 198 c C 2.737 176.540 174.090 -0.478 0.000 1.138 198 c CA 1.652 57.247 56.329 -1.223 0.000 1.836 198 c CB -1.127 40.669 42.510 -1.190 0.000 2.155 198 c HN 0.562 nan 8.230 nan 0.000 0.460 199 L N 0.745 121.702 121.223 -0.444 0.000 2.168 199 L HA 0.138 4.478 4.340 0.001 0.000 0.203 199 L C 2.504 179.251 176.870 -0.205 0.000 1.078 199 L CA 2.471 57.115 54.840 -0.327 0.000 0.780 199 L CB -1.322 40.488 42.059 -0.415 0.000 0.939 199 L HN 0.497 nan 8.230 nan 0.000 0.451 200 E N 0.259 120.292 120.200 -0.279 0.000 2.114 200 E HA -0.301 4.050 4.350 0.001 0.000 0.199 200 E C 1.523 178.155 176.600 0.054 0.000 1.008 200 E CA 1.921 58.291 56.400 -0.049 0.000 0.810 200 E CB -0.245 29.447 29.700 -0.014 0.000 0.739 200 E HN 0.725 nan 8.360 nan 0.000 0.456 201 N N -1.218 117.516 118.700 0.056 0.000 2.461 201 N HA -0.013 4.727 4.740 0.001 0.000 0.188 201 N C 0.927 176.475 175.510 0.063 0.000 1.134 201 N CA 0.259 53.368 53.050 0.100 0.000 0.878 201 N CB 0.509 39.113 38.487 0.195 0.000 0.972 201 N HN 0.351 nan 8.380 nan 0.000 0.456 202 G N 0.776 109.587 108.800 0.019 0.000 2.284 202 G HA2 -0.418 3.543 3.960 0.001 0.000 0.247 202 G HA3 -0.418 3.543 3.960 0.001 0.000 0.247 202 G C 1.124 176.021 174.900 -0.006 0.000 1.012 202 G CA 0.424 45.526 45.100 0.004 0.000 0.618 202 G HN 0.447 nan 8.290 nan 0.000 0.521 203 A N 0.474 123.307 122.820 0.021 0.000 1.873 203 A HA 0.414 4.735 4.320 0.001 0.000 0.218 203 A C 1.928 179.481 177.584 -0.053 0.000 1.193 203 A CA 2.530 54.580 52.037 0.022 0.000 0.629 203 A CB -0.728 18.341 19.000 0.115 0.000 0.826 203 A HN 1.997 nan 8.150 nan 0.000 0.447 204 G N -2.296 106.425 108.800 -0.132 0.000 2.434 204 G HA2 0.471 4.431 3.960 0.001 0.000 0.330 204 G HA3 0.471 4.431 3.960 0.001 0.000 0.330 204 G C -0.636 174.166 174.900 -0.164 0.000 1.155 204 G CA 0.026 45.005 45.100 -0.202 0.000 0.917 204 G HN 0.173 nan 8.290 nan 0.000 0.493 205 D N -1.415 118.907 120.400 -0.130 0.000 2.441 205 D HA 0.225 4.865 4.640 0.001 0.000 0.210 205 D C 0.002 176.290 176.300 -0.021 0.000 1.102 205 D CA 0.216 54.211 54.000 -0.008 0.000 0.840 205 D CB 1.574 42.443 40.800 0.115 0.000 0.990 205 D HN 0.248 nan 8.370 nan 0.000 0.505 206 V N 0.318 120.101 119.914 -0.218 0.000 2.711 206 V HA 0.754 4.875 4.120 0.001 0.000 0.304 206 V C -1.738 173.944 176.094 -0.687 0.000 1.097 206 V CA -0.787 61.289 62.300 -0.373 0.000 0.906 206 V CB 1.533 33.156 31.823 -0.334 0.000 1.015 206 V HN 0.013 nan 8.190 nan 0.000 0.427 207 A N 6.063 128.521 122.820 -0.605 0.000 2.350 207 A HA 0.920 5.241 4.320 0.001 0.000 0.324 207 A C -1.277 176.049 177.584 -0.430 0.000 1.118 207 A CA -0.400 51.280 52.037 -0.595 0.000 0.783 207 A CB 1.130 19.892 19.000 -0.395 0.000 1.236 207 A HN 0.809 nan 8.150 nan 0.000 0.457 208 F N 2.697 122.646 119.950 -0.002 0.000 2.319 208 F HA 0.445 4.972 4.527 0.001 0.000 0.356 208 F C 0.484 176.369 175.800 0.142 0.000 1.100 208 F CA -0.836 57.220 58.000 0.093 0.000 1.220 208 F CB 0.632 39.736 39.000 0.174 0.000 1.506 208 F HN 0.430 nan 8.300 nan 0.000 0.512 209 V N -1.458 118.614 119.914 0.264 0.000 3.240 209 V HA 0.556 4.677 4.120 0.001 0.000 0.306 209 V C 0.187 176.333 176.094 0.087 0.000 1.227 209 V CA -1.507 60.936 62.300 0.238 0.000 1.047 209 V CB 1.357 33.295 31.823 0.192 0.000 1.203 209 V HN 0.330 nan 8.190 nan 0.000 0.471 210 K N 1.040 121.326 120.400 -0.190 0.000 2.355 210 K HA 0.046 4.366 4.320 0.001 0.000 0.270 210 K C 0.813 177.183 176.600 -0.383 0.000 1.003 210 K CA 0.476 56.467 56.287 -0.492 0.000 0.957 210 K CB 0.749 32.523 32.500 -1.209 0.000 0.939 210 K HN 0.992 nan 8.250 nan 0.000 0.482 211 D N 0.625 120.808 120.400 -0.363 0.000 2.393 211 D HA -0.142 4.499 4.640 0.001 0.000 0.220 211 D C 0.327 176.045 176.300 -0.969 0.000 0.974 211 D CA 1.005 54.650 54.000 -0.591 0.000 0.931 211 D CB 0.005 40.597 40.800 -0.347 0.000 0.889 211 D HN 0.344 nan 8.370 nan 0.000 0.512 212 S N -2.984 112.302 115.700 -0.691 0.000 3.025 212 S HA 0.204 4.675 4.470 0.001 0.000 0.251 212 S C 0.922 175.294 174.600 -0.380 0.000 0.954 212 S CA -0.522 57.286 58.200 -0.652 0.000 1.092 212 S CB 0.266 63.078 63.200 -0.646 0.000 1.079 212 S HN 0.055 nan 8.310 nan 0.000 0.543 213 T N 2.758 117.135 114.554 -0.296 0.000 2.559 213 T HA -0.070 4.280 4.350 0.001 0.000 0.251 213 T C 2.015 176.591 174.700 -0.206 0.000 1.122 213 T CA 1.592 63.563 62.100 -0.215 0.000 1.231 213 T CB -0.635 68.169 68.868 -0.108 0.000 0.881 213 T HN 0.223 nan 8.240 nan 0.000 0.397 214 V N 1.634 121.426 119.914 -0.204 0.000 2.256 214 V HA -0.340 3.781 4.120 0.001 0.000 0.256 214 V C 2.110 178.059 176.094 -0.242 0.000 1.060 214 V CA 2.436 64.504 62.300 -0.387 0.000 1.081 214 V CB -1.411 30.390 31.823 -0.038 0.000 0.709 214 V HN 0.356 nan 8.190 nan 0.000 0.471 215 F N 0.786 120.590 119.950 -0.244 0.000 2.064 215 F HA -0.336 4.191 4.527 0.001 0.000 0.292 215 F C 2.501 178.189 175.800 -0.187 0.000 1.107 215 F CA 2.490 60.387 58.000 -0.173 0.000 1.243 215 F CB -1.096 37.815 39.000 -0.149 0.000 0.949 215 F HN 0.274 nan 8.300 nan 0.000 0.506 216 E N -0.079 120.138 120.200 0.028 0.000 2.068 216 E HA -0.284 4.067 4.350 0.001 0.000 0.207 216 E C 2.031 178.567 176.600 -0.108 0.000 1.032 216 E CA 1.820 58.186 56.400 -0.056 0.000 0.839 216 E CB -0.490 29.148 29.700 -0.103 0.000 0.758 216 E HN 0.545 nan 8.360 nan 0.000 0.457 217 N N 0.564 119.130 118.700 -0.223 0.000 2.051 217 N HA -0.077 4.664 4.740 0.001 0.000 0.192 217 N C 0.608 176.000 175.510 -0.197 0.000 1.049 217 N CA 0.665 53.563 53.050 -0.252 0.000 0.845 217 N CB -0.126 38.075 38.487 -0.478 0.000 1.031 217 N HN 0.085 nan 8.380 nan 0.000 0.425 218 L N 3.328 124.397 121.223 -0.256 0.000 2.363 218 L HA 0.140 4.481 4.340 0.001 0.000 0.286 218 L C -1.415 175.386 176.870 -0.115 0.000 1.106 218 L CA -1.236 53.520 54.840 -0.139 0.000 0.859 218 L CB 0.878 42.877 42.059 -0.101 0.000 1.223 218 L HN 0.092 nan 8.230 nan 0.000 0.446 219 P HA -0.039 nan 4.420 nan 0.000 0.207 219 P C -0.149 177.116 177.300 -0.058 0.000 1.208 219 P CA 0.198 63.265 63.100 -0.055 0.000 0.908 219 P CB 0.109 31.792 31.700 -0.029 0.000 0.744 220 D N 1.207 121.587 120.400 -0.034 0.000 2.854 220 D HA -0.136 4.505 4.640 0.001 0.000 0.243 220 D C 1.356 177.633 176.300 -0.039 0.000 1.243 220 D CA 0.669 54.653 54.000 -0.027 0.000 0.883 220 D CB 0.243 41.036 40.800 -0.012 0.000 1.145 220 D HN 0.332 nan 8.370 nan 0.000 0.555 221 E N 2.992 123.163 120.200 -0.047 0.000 2.169 221 E HA -0.316 4.034 4.350 0.001 0.000 0.202 221 E C 1.662 178.238 176.600 -0.040 0.000 1.016 221 E CA 1.668 58.032 56.400 -0.059 0.000 0.817 221 E CB 0.152 29.825 29.700 -0.044 0.000 0.736 221 E HN 0.575 nan 8.360 nan 0.000 0.462 222 A N 1.565 124.371 122.820 -0.024 0.000 2.106 222 A HA -0.401 3.919 4.320 0.001 0.000 0.207 222 A C 1.951 179.528 177.584 -0.012 0.000 1.226 222 A CA 2.645 54.672 52.037 -0.016 0.000 0.783 222 A CB -1.377 17.617 19.000 -0.011 0.000 0.826 222 A HN 0.619 nan 8.150 nan 0.000 0.507 223 E N -0.851 119.351 120.200 0.002 0.000 2.037 223 E HA -0.355 3.996 4.350 0.001 0.000 0.214 223 E C 1.929 178.554 176.600 0.042 0.000 1.041 223 E CA 1.395 57.806 56.400 0.019 0.000 0.872 223 E CB -0.671 29.070 29.700 0.068 0.000 0.785 223 E HN 0.517 nan 8.360 nan 0.000 0.476 224 R N 0.690 121.239 120.500 0.082 0.000 2.409 224 R HA -0.333 4.008 4.340 0.001 0.000 0.215 224 R C 1.977 178.355 176.300 0.129 0.000 0.981 224 R CA 2.585 58.743 56.100 0.096 0.000 0.691 224 R CB -1.139 29.123 30.300 -0.063 0.000 0.897 224 R HN 0.394 nan 8.270 nan 0.000 0.353 225 D N -0.245 120.173 120.400 0.030 0.000 2.384 225 D HA -0.076 4.565 4.640 0.001 0.000 0.222 225 D C 1.402 177.693 176.300 -0.016 0.000 0.976 225 D CA 0.820 54.831 54.000 0.018 0.000 0.915 225 D CB 0.080 40.874 40.800 -0.010 0.000 0.896 225 D HN 0.301 nan 8.370 nan 0.000 0.523 226 K N -0.530 119.808 120.400 -0.104 0.000 2.442 226 K HA -0.095 4.225 4.320 0.001 0.000 0.198 226 K C -0.284 176.032 176.600 -0.473 0.000 1.044 226 K CA 0.654 56.728 56.287 -0.355 0.000 0.948 226 K CB 0.122 32.278 32.500 -0.573 0.000 0.762 226 K HN 0.313 nan 8.250 nan 0.000 0.472 227 Y N 0.283 120.589 120.300 0.010 0.000 2.524 227 Y HA 0.299 4.850 4.550 0.001 0.000 0.344 227 Y C 0.300 176.207 175.900 0.012 0.000 1.012 227 Y CA -1.262 56.838 58.100 0.000 0.000 1.068 227 Y CB 1.461 39.918 38.460 -0.004 0.000 1.249 227 Y HN -0.145 nan 8.280 nan 0.000 0.468 228 E N 0.728 121.030 120.200 0.171 0.000 2.568 228 E HA 0.708 5.058 4.350 0.001 0.000 0.242 228 E C -1.641 175.018 176.600 0.098 0.000 0.945 228 E CA -1.182 55.283 56.400 0.108 0.000 0.918 228 E CB 2.187 31.927 29.700 0.066 0.000 1.386 228 E HN 0.418 nan 8.360 nan 0.000 0.426 229 L N 1.290 122.561 121.223 0.080 0.000 2.436 229 L HA 0.393 4.734 4.340 0.001 0.000 0.268 229 L C -1.601 175.307 176.870 0.062 0.000 0.974 229 L CA -0.614 54.275 54.840 0.082 0.000 0.826 229 L CB 1.302 43.432 42.059 0.118 0.000 1.291 229 L HN 0.351 nan 8.230 nan 0.000 0.406 230 L N 3.869 125.126 121.223 0.055 0.000 2.290 230 L HA 0.393 4.734 4.340 0.001 0.000 0.284 230 L C -0.743 176.166 176.870 0.064 0.000 1.078 230 L CA -0.226 54.638 54.840 0.041 0.000 0.815 230 L CB 0.941 43.018 42.059 0.030 0.000 1.162 230 L HN 0.598 nan 8.230 nan 0.000 0.435 231 c N 3.370 121.996 118.600 0.044 0.000 2.456 231 c HA 0.367 4.938 4.570 0.001 0.000 0.325 231 c C -1.225 172.875 174.090 0.015 0.000 1.217 231 c CA -1.384 54.962 56.329 0.029 0.000 1.687 231 c CB 1.396 43.916 42.510 0.017 0.000 2.270 231 c HN 0.611 nan 8.230 nan 0.000 0.499 232 P HA -0.093 nan 4.420 nan 0.000 0.234 232 P C 0.578 177.879 177.300 0.001 0.000 1.162 232 P CA 1.272 64.369 63.100 -0.005 0.000 0.759 232 P CB -0.168 31.510 31.700 -0.037 0.000 0.813 233 D N -1.538 118.862 120.400 0.000 0.000 2.324 233 D HA -0.061 4.579 4.640 0.001 0.000 0.235 233 D C -0.050 176.264 176.300 0.023 0.000 1.095 233 D CA -0.293 53.711 54.000 0.006 0.000 0.871 233 D CB -1.252 39.549 40.800 0.001 0.000 0.906 233 D HN 0.020 nan 8.370 nan 0.000 0.522 234 N N 0.214 118.935 118.700 0.035 0.000 2.756 234 N HA -0.134 4.607 4.740 0.001 0.000 0.248 234 N C -0.741 174.795 175.510 0.043 0.000 1.062 234 N CA 1.397 54.477 53.050 0.051 0.000 0.696 234 N CB -2.106 36.416 38.487 0.060 0.000 0.946 234 N HN 0.571 nan 8.380 nan 0.000 0.548 235 T N -2.547 112.028 114.554 0.034 0.000 2.718 235 T HA 0.611 4.962 4.350 0.001 0.000 0.306 235 T C -0.555 174.160 174.700 0.026 0.000 1.485 235 T CA -1.225 60.894 62.100 0.031 0.000 0.997 235 T CB 2.265 71.150 68.868 0.028 0.000 1.504 235 T HN 0.173 nan 8.240 nan 0.000 0.497 236 R N 0.385 120.901 120.500 0.027 0.000 2.758 236 R HA 0.878 5.219 4.340 0.001 0.000 0.265 236 R C -0.891 175.431 176.300 0.036 0.000 1.016 236 R CA -0.991 55.126 56.100 0.028 0.000 1.040 236 R CB 1.434 31.750 30.300 0.026 0.000 1.152 236 R HN 0.738 nan 8.270 nan 0.000 0.503 237 K N 0.492 120.920 120.400 0.047 0.000 2.551 237 K HA 0.379 4.700 4.320 0.001 0.000 0.269 237 K C -2.719 173.923 176.600 0.070 0.000 0.949 237 K CA -1.916 54.402 56.287 0.052 0.000 0.849 237 K CB 2.663 35.193 32.500 0.051 0.000 1.411 237 K HN 0.327 nan 8.250 nan 0.000 0.432 238 P HA -0.137 nan 4.420 nan 0.000 0.268 238 P C 0.691 178.065 177.300 0.123 0.000 1.189 238 P CA -0.025 63.124 63.100 0.081 0.000 0.771 238 P CB 0.407 32.148 31.700 0.068 0.000 0.822 239 V N 2.016 122.009 119.914 0.132 0.000 2.232 239 V HA -0.255 3.866 4.120 0.001 0.000 0.241 239 V C 0.421 176.700 176.094 0.308 0.000 1.036 239 V CA 2.259 64.673 62.300 0.189 0.000 0.993 239 V CB -1.821 30.080 31.823 0.130 0.000 0.639 239 V HN 0.586 nan 8.190 nan 0.000 0.459 240 D N 1.081 121.698 120.400 0.362 0.000 2.383 240 D HA 0.384 5.024 4.640 0.001 0.000 0.275 240 D C 0.072 176.530 176.300 0.264 0.000 1.344 240 D CA 1.047 55.352 54.000 0.510 0.000 0.984 240 D CB 0.099 41.190 40.800 0.485 0.000 1.104 240 D HN 0.626 nan 8.370 nan 0.000 0.524 241 A N 1.707 124.682 122.820 0.259 0.000 2.381 241 A HA 0.049 4.370 4.320 0.001 0.000 0.218 241 A C 0.683 178.283 177.584 0.027 0.000 2.810 241 A CA -0.638 51.433 52.037 0.057 0.000 1.564 241 A CB -1.356 17.700 19.000 0.092 0.000 0.368 241 A HN 0.368 nan 8.150 nan 0.000 0.558 242 F N 0.393 120.284 119.950 -0.099 0.000 2.802 242 F HA 0.332 4.860 4.527 0.001 0.000 0.302 242 F C 1.152 176.774 175.800 -0.297 0.000 1.211 242 F CA 0.579 58.474 58.000 -0.176 0.000 1.431 242 F CB -0.767 38.047 39.000 -0.310 0.000 1.114 242 F HN 0.111 nan 8.300 nan 0.000 0.567 243 K N 0.964 121.107 120.400 -0.428 0.000 2.098 243 K HA 0.006 4.326 4.320 0.001 0.000 0.203 243 K C 1.297 177.962 176.600 0.109 0.000 1.051 243 K CA 1.458 57.587 56.287 -0.263 0.000 0.957 243 K CB -0.097 32.231 32.500 -0.287 0.000 0.738 243 K HN 0.331 nan 8.250 nan 0.000 0.447 244 E N -0.890 119.338 120.200 0.047 0.000 2.526 244 E HA 0.107 4.458 4.350 0.001 0.000 0.208 244 E C -0.739 175.851 176.600 -0.017 0.000 0.997 244 E CA -0.170 56.246 56.400 0.027 0.000 0.961 244 E CB 1.036 30.734 29.700 -0.003 0.000 1.030 244 E HN 0.064 nan 8.360 nan 0.000 0.483 245 c N 2.792 121.432 118.600 0.068 0.000 2.293 245 c HA 0.517 5.087 4.570 0.001 0.000 0.323 245 c C -1.346 172.872 174.090 0.213 0.000 1.240 245 c CA -0.167 56.204 56.329 0.069 0.000 1.497 245 c CB -0.764 41.808 42.510 0.103 0.000 2.171 245 c HN 0.539 nan 8.230 nan 0.000 0.465 246 H N 4.750 123.898 119.070 0.131 0.000 2.949 246 H HA 0.072 4.628 4.556 0.001 0.000 0.284 246 H C -0.606 174.801 175.328 0.130 0.000 1.178 246 H CA -0.713 55.439 56.048 0.173 0.000 1.688 246 H CB -0.331 29.617 29.762 0.310 0.000 2.133 246 H HN 0.450 nan 8.280 nan 0.000 0.480 247 L N 1.894 123.238 121.223 0.201 0.000 1.955 247 L HA 0.140 4.481 4.340 0.001 0.000 0.213 247 L C 1.417 178.381 176.870 0.157 0.000 1.072 247 L CA 2.331 57.229 54.840 0.096 0.000 0.755 247 L CB -0.580 41.508 42.059 0.048 0.000 0.888 247 L HN 0.771 nan 8.230 nan 0.000 0.432 248 A N -1.087 121.892 122.820 0.266 0.000 2.535 248 A HA 0.750 5.071 4.320 0.001 0.000 0.296 248 A C -1.114 176.564 177.584 0.156 0.000 1.248 248 A CA -0.570 51.607 52.037 0.234 0.000 0.686 248 A CB 1.413 20.462 19.000 0.082 0.000 1.315 248 A HN 0.113 nan 8.150 nan 0.000 0.460 249 R N -0.628 119.862 120.500 -0.016 0.000 2.575 249 R HA 0.658 4.999 4.340 0.001 0.000 0.293 249 R C -1.454 174.718 176.300 -0.213 0.000 0.983 249 R CA -0.329 55.626 56.100 -0.240 0.000 0.887 249 R CB 1.968 32.052 30.300 -0.359 0.000 1.184 249 R HN 1.226 nan 8.270 nan 0.000 0.445 250 V N 1.056 120.742 119.914 -0.381 0.000 3.040 250 V HA 0.749 4.869 4.120 0.001 0.000 0.312 250 V C -2.742 173.033 176.094 -0.532 0.000 1.115 250 V CA -2.920 59.124 62.300 -0.427 0.000 0.998 250 V CB 1.880 33.429 31.823 -0.457 0.000 1.042 250 V HN 0.672 nan 8.190 nan 0.000 0.433 251 P HA 0.237 nan 4.420 nan 0.000 0.271 251 P C 0.214 177.479 177.300 -0.059 0.000 1.216 251 P CA 0.199 63.150 63.100 -0.248 0.000 0.776 251 P CB 0.661 32.228 31.700 -0.221 0.000 0.881 252 S N 2.670 118.469 115.700 0.164 0.000 2.572 252 S HA -0.030 4.440 4.470 0.001 0.000 0.262 252 S C 0.113 175.009 174.600 0.494 0.000 1.375 252 S CA 0.014 58.482 58.200 0.446 0.000 0.996 252 S CB -0.439 63.014 63.200 0.422 0.000 0.892 252 S HN 0.456 nan 8.310 nan 0.000 0.562 253 H N 0.409 119.794 119.070 0.525 0.000 2.790 253 H HA 0.518 5.075 4.556 0.001 0.000 0.358 253 H C 0.397 175.857 175.328 0.220 0.000 1.103 253 H CA 0.107 56.373 56.048 0.363 0.000 1.426 253 H CB 0.704 30.727 29.762 0.434 0.000 1.424 253 H HN 0.902 nan 8.280 nan 0.000 0.599 254 A N 2.390 125.342 122.820 0.219 0.000 2.549 254 A HA 0.399 4.719 4.320 0.001 0.000 0.297 254 A C -0.966 176.619 177.584 0.002 0.000 1.061 254 A CA -0.712 51.362 52.037 0.062 0.000 0.690 254 A CB 1.126 20.023 19.000 -0.172 0.000 1.287 254 A HN 0.454 nan 8.150 nan 0.000 0.402 255 V N 1.840 121.744 119.914 -0.017 0.000 2.555 255 V HA 0.431 4.552 4.120 0.001 0.000 0.286 255 V C 0.459 176.454 176.094 -0.166 0.000 1.044 255 V CA 0.033 62.272 62.300 -0.101 0.000 1.026 255 V CB 0.968 32.707 31.823 -0.141 0.000 0.981 255 V HN 1.116 nan 8.190 nan 0.000 0.480 256 V N 2.321 122.111 119.914 -0.206 0.000 2.715 256 V HA 1.062 5.183 4.120 0.001 0.000 0.310 256 V C -0.070 175.901 176.094 -0.205 0.000 1.054 256 V CA -0.312 61.878 62.300 -0.184 0.000 0.928 256 V CB 1.394 33.120 31.823 -0.162 0.000 1.007 256 V HN 1.094 nan 8.190 nan 0.000 0.437 257 A N 3.733 126.460 122.820 -0.154 0.000 2.486 257 A HA 0.866 5.187 4.320 0.001 0.000 0.277 257 A C -0.154 177.376 177.584 -0.090 0.000 1.282 257 A CA -1.192 50.764 52.037 -0.135 0.000 0.784 257 A CB 1.259 20.188 19.000 -0.118 0.000 1.350 257 A HN 0.903 nan 8.150 nan 0.000 0.454 258 R N -0.263 120.195 120.500 -0.071 0.000 2.615 258 R HA 0.325 4.666 4.340 0.001 0.000 0.270 258 R C 1.417 177.690 176.300 -0.045 0.000 1.081 258 R CA 0.532 56.602 56.100 -0.049 0.000 1.154 258 R CB 0.788 31.064 30.300 -0.040 0.000 1.063 258 R HN 0.851 nan 8.270 nan 0.000 0.519 259 S N 0.158 115.835 115.700 -0.037 0.000 2.355 259 S HA -0.071 4.399 4.470 0.001 0.000 0.222 259 S C 0.857 175.436 174.600 -0.036 0.000 1.031 259 S CA 0.531 58.709 58.200 -0.036 0.000 0.993 259 S CB -0.162 63.018 63.200 -0.033 0.000 0.859 259 S HN 0.426 nan 8.310 nan 0.000 0.453 260 V N -0.941 118.952 119.914 -0.035 0.000 2.531 260 V HA 0.549 4.670 4.120 0.001 0.000 0.301 260 V C -0.680 175.396 176.094 -0.030 0.000 1.034 260 V CA -0.967 61.314 62.300 -0.032 0.000 0.865 260 V CB 1.201 33.005 31.823 -0.032 0.000 0.995 260 V HN 0.308 nan 8.190 nan 0.000 0.424 261 D N 2.993 123.377 120.400 -0.027 0.000 2.772 261 D HA -0.157 4.483 4.640 0.001 0.000 0.233 261 D C 1.219 177.504 176.300 -0.025 0.000 1.143 261 D CA 1.258 55.244 54.000 -0.023 0.000 0.700 261 D CB -0.660 40.128 40.800 -0.021 0.000 1.076 261 D HN 1.118 nan 8.370 nan 0.000 0.430 262 G N -0.478 108.304 108.800 -0.030 0.000 3.141 262 G HA2 0.088 4.049 3.960 0.001 0.000 0.218 262 G HA3 0.088 4.049 3.960 0.001 0.000 0.218 262 G C 1.045 175.926 174.900 -0.032 0.000 1.170 262 G CA 0.336 45.414 45.100 -0.037 0.000 0.769 262 G HN 0.296 nan 8.290 nan 0.000 0.546 263 R N -1.072 119.417 120.500 -0.018 0.000 3.908 263 R HA -0.185 4.156 4.340 0.001 0.000 0.381 263 R C 1.362 177.669 176.300 0.011 0.000 1.135 263 R CA 0.954 57.052 56.100 -0.002 0.000 0.990 263 R CB -1.970 28.330 30.300 0.000 0.000 1.557 263 R HN 0.555 nan 8.270 nan 0.000 0.535 264 E N 0.903 121.100 120.200 -0.004 0.000 2.154 264 E HA -0.407 3.944 4.350 0.001 0.000 0.240 264 E C 1.368 178.002 176.600 0.056 0.000 1.059 264 E CA 2.273 58.675 56.400 0.004 0.000 0.954 264 E CB -0.207 29.478 29.700 -0.026 0.000 0.842 264 E HN 0.398 nan 8.360 nan 0.000 0.508 265 D N -0.426 120.001 120.400 0.045 0.000 2.412 265 D HA -0.242 4.399 4.640 0.001 0.000 0.191 265 D C 1.961 178.352 176.300 0.151 0.000 1.019 265 D CA 1.611 55.663 54.000 0.087 0.000 0.866 265 D CB -0.453 40.379 40.800 0.053 0.000 0.966 265 D HN 0.105 nan 8.370 nan 0.000 0.459 266 L N 0.553 121.838 121.223 0.104 0.000 1.957 266 L HA -0.243 4.098 4.340 0.001 0.000 0.228 266 L C 2.856 179.823 176.870 0.161 0.000 1.086 266 L CA 1.570 56.476 54.840 0.110 0.000 0.796 266 L CB -1.528 40.574 42.059 0.072 0.000 0.900 266 L HN 0.298 nan 8.230 nan 0.000 0.439 267 I N -1.388 119.271 120.570 0.149 0.000 2.130 267 I HA -0.471 3.700 4.170 0.001 0.000 0.241 267 I C 2.538 178.822 176.117 0.279 0.000 1.023 267 I CA 2.241 63.654 61.300 0.189 0.000 1.293 267 I CB -0.548 37.518 38.000 0.111 0.000 1.001 267 I HN 0.539 nan 8.210 nan 0.000 0.407 268 W N 2.197 123.548 121.300 0.085 0.000 2.285 268 W HA -0.357 4.304 4.660 0.001 0.000 0.333 268 W C 2.644 179.282 176.519 0.200 0.000 1.290 268 W CA 2.015 59.434 57.345 0.124 0.000 1.234 268 W CB -0.422 29.093 29.460 0.093 0.000 1.154 268 W HN 0.082 nan 8.180 nan 0.000 0.463 269 K N 0.043 120.528 120.400 0.142 0.000 2.089 269 K HA -0.288 4.033 4.320 0.001 0.000 0.210 269 K C 1.997 178.614 176.600 0.029 0.000 1.048 269 K CA 2.161 58.420 56.287 -0.047 0.000 0.926 269 K CB -0.869 31.644 32.500 0.022 0.000 0.714 269 K HN 0.231 nan 8.250 nan 0.000 0.448 270 L N 1.453 122.753 121.223 0.128 0.000 1.944 270 L HA -0.236 4.105 4.340 0.001 0.000 0.218 270 L C 1.990 179.008 176.870 0.246 0.000 1.075 270 L CA 1.767 56.729 54.840 0.203 0.000 0.767 270 L CB -0.747 41.470 42.059 0.263 0.000 0.890 270 L HN 0.126 nan 8.230 nan 0.000 0.434 271 L N -1.002 120.370 121.223 0.247 0.000 1.970 271 L HA -0.264 4.077 4.340 0.001 0.000 0.212 271 L C 2.688 179.640 176.870 0.137 0.000 1.071 271 L CA 1.621 56.605 54.840 0.240 0.000 0.751 271 L CB -1.255 40.888 42.059 0.140 0.000 0.889 271 L HN 0.552 nan 8.230 nan 0.000 0.432 272 H N 1.184 120.114 119.070 -0.233 0.000 2.291 272 H HA -0.273 4.284 4.556 0.001 0.000 0.275 272 H C 2.445 177.647 175.328 -0.210 0.000 1.115 272 H CA 2.593 58.372 56.048 -0.449 0.000 1.200 272 H CB -0.105 29.207 29.762 -0.749 0.000 1.444 272 H HN 0.188 nan 8.280 nan 0.000 0.576 273 R N 0.369 120.987 120.500 0.197 0.000 2.070 273 R HA -0.038 4.302 4.340 0.001 0.000 0.232 273 R C 2.684 178.998 176.300 0.024 0.000 1.138 273 R CA 1.133 57.301 56.100 0.113 0.000 0.936 273 R CB -1.364 28.979 30.300 0.071 0.000 0.839 273 R HN 0.461 nan 8.270 nan 0.000 0.429 274 A N 2.160 125.077 122.820 0.163 0.000 1.997 274 A HA -0.262 4.059 4.320 0.001 0.000 0.221 274 A C 2.081 179.696 177.584 0.053 0.000 1.172 274 A CA 2.104 54.316 52.037 0.292 0.000 0.645 274 A CB -0.535 18.632 19.000 0.278 0.000 0.813 274 A HN 0.595 nan 8.150 nan 0.000 0.454 275 Q N -1.979 117.791 119.800 -0.049 0.000 2.320 275 Q HA 0.204 4.545 4.340 0.001 0.000 0.201 275 Q C 1.152 177.029 176.000 -0.204 0.000 0.910 275 Q CA 0.858 56.543 55.803 -0.195 0.000 0.946 275 Q CB 0.401 29.056 28.738 -0.139 0.000 1.062 275 Q HN 0.543 nan 8.270 nan 0.000 0.503 276 E N -0.074 120.007 120.200 -0.198 0.000 2.475 276 E HA 0.042 4.393 4.350 0.001 0.000 0.205 276 E C 1.249 177.669 176.600 -0.301 0.000 0.822 276 E CA 0.210 56.487 56.400 -0.205 0.000 1.240 276 E CB 0.422 30.026 29.700 -0.159 0.000 1.222 276 E HN 0.295 nan 8.360 nan 0.000 0.581 277 E N -0.076 119.824 120.200 -0.499 0.000 2.158 277 E HA -0.031 4.320 4.350 0.001 0.000 0.191 277 E C 0.392 176.322 176.600 -1.118 0.000 0.982 277 E CA 0.777 56.587 56.400 -0.984 0.000 0.823 277 E CB 0.214 28.951 29.700 -1.606 0.000 0.766 277 E HN 0.186 nan 8.360 nan 0.000 0.468 278 F N -2.001 117.888 119.950 -0.102 0.000 2.802 278 F HA 0.375 4.903 4.527 0.001 0.000 0.346 278 F C 1.159 176.816 175.800 -0.239 0.000 1.229 278 F CA -0.352 57.584 58.000 -0.107 0.000 1.142 278 F CB -0.014 38.971 39.000 -0.026 0.000 1.146 278 F HN -0.157 nan 8.300 nan 0.000 0.510 279 G N 0.982 109.662 108.800 -0.201 0.000 2.713 279 G HA2 0.067 4.027 3.960 0.001 0.000 0.170 279 G HA3 0.067 4.027 3.960 0.001 0.000 0.170 279 G C -0.133 174.536 174.900 -0.386 0.000 1.724 279 G CA -0.282 44.538 45.100 -0.468 0.000 0.892 279 G HN 0.224 nan 8.290 nan 0.000 0.376 280 R N 0.315 120.718 120.500 -0.161 0.000 2.265 280 R HA 0.328 4.669 4.340 0.001 0.000 0.328 280 R C 0.575 176.858 176.300 -0.028 0.000 0.969 280 R CA 0.345 56.432 56.100 -0.021 0.000 0.832 280 R CB -0.116 30.273 30.300 0.149 0.000 1.139 280 R HN 0.778 nan 8.270 nan 0.000 0.457 281 N N 1.724 120.405 118.700 -0.033 0.000 2.980 281 N HA -0.203 4.537 4.740 0.001 0.000 0.213 281 N C -0.258 175.232 175.510 -0.033 0.000 0.892 281 N CA 0.837 53.871 53.050 -0.027 0.000 1.025 281 N CB -0.201 38.275 38.487 -0.018 0.000 1.030 281 N HN 0.427 nan 8.380 nan 0.000 0.585 282 K N 1.130 121.502 120.400 -0.047 0.000 2.943 282 K HA 0.104 4.425 4.320 0.001 0.000 0.332 282 K C 0.809 177.402 176.600 -0.011 0.000 1.060 282 K CA 0.093 56.351 56.287 -0.048 0.000 1.052 282 K CB -0.808 31.640 32.500 -0.088 0.000 1.033 282 K HN 0.139 nan 8.250 nan 0.000 0.440 283 S N 0.323 116.032 115.700 0.016 0.000 2.560 283 S HA -0.042 4.428 4.470 0.001 0.000 0.276 283 S C 1.320 175.963 174.600 0.070 0.000 1.350 283 S CA 0.204 58.441 58.200 0.062 0.000 1.024 283 S CB 0.243 63.525 63.200 0.137 0.000 0.864 283 S HN 0.491 nan 8.310 nan 0.000 0.536 284 S N 3.391 119.125 115.700 0.055 0.000 2.446 284 S HA 0.037 4.508 4.470 0.001 0.000 0.225 284 S C 2.139 176.772 174.600 0.055 0.000 1.016 284 S CA 0.547 58.768 58.200 0.035 0.000 0.943 284 S CB -0.848 62.365 63.200 0.021 0.000 0.786 284 S HN 0.898 nan 8.310 nan 0.000 0.508 285 A N 1.594 124.472 122.820 0.097 0.000 1.923 285 A HA -0.067 4.253 4.320 0.001 0.000 0.222 285 A C 0.745 178.425 177.584 0.159 0.000 1.258 285 A CA 1.836 53.943 52.037 0.115 0.000 0.670 285 A CB -0.674 18.409 19.000 0.137 0.000 0.834 285 A HN 0.658 nan 8.150 nan 0.000 0.470 286 F N -2.628 117.309 119.950 -0.021 0.000 2.631 286 F HA 0.562 5.090 4.527 0.001 0.000 0.308 286 F C -1.407 174.359 175.800 -0.057 0.000 1.097 286 F CA -0.982 56.979 58.000 -0.065 0.000 0.952 286 F CB 1.506 40.413 39.000 -0.154 0.000 1.307 286 F HN -0.010 nan 8.300 nan 0.000 0.450 287 Q N 4.678 123.936 119.800 -0.903 0.000 2.381 287 Q HA 0.275 4.615 4.340 0.001 0.000 0.263 287 Q C 0.257 175.812 176.000 -0.743 0.000 1.030 287 Q CA -0.477 54.977 55.803 -0.582 0.000 0.772 287 Q CB 1.917 30.410 28.738 -0.409 0.000 1.232 287 Q HN 0.888 nan 8.270 nan 0.000 0.476 288 L N 2.691 123.682 121.223 -0.387 0.000 1.921 288 L HA -0.104 4.237 4.340 0.001 0.000 0.219 288 L C 0.919 177.663 176.870 -0.211 0.000 1.081 288 L CA 2.047 56.678 54.840 -0.350 0.000 0.771 288 L CB -0.360 41.131 42.059 -0.946 0.000 0.888 288 L HN 0.579 nan 8.230 nan 0.000 0.433 289 F N 0.257 120.180 119.950 -0.045 0.000 2.726 289 F HA 0.386 4.914 4.527 0.001 0.000 0.296 289 F C 1.007 176.820 175.800 0.023 0.000 1.250 289 F CA -0.139 57.882 58.000 0.035 0.000 1.434 289 F CB -1.438 37.542 39.000 -0.033 0.000 1.043 289 F HN 0.106 nan 8.300 nan 0.000 0.508 290 G N -0.234 108.603 108.800 0.062 0.000 2.805 290 G HA2 0.451 4.412 3.960 0.001 0.000 0.283 290 G HA3 0.451 4.412 3.960 0.001 0.000 0.283 290 G C -0.605 174.269 174.900 -0.043 0.000 1.508 290 G CA -0.453 44.649 45.100 0.004 0.000 1.042 290 G HN 0.096 nan 8.290 nan 0.000 0.543 291 S N 0.582 116.300 115.700 0.029 0.000 2.669 291 S HA 0.649 5.120 4.470 0.001 0.000 0.270 291 S C 1.203 175.805 174.600 0.004 0.000 1.225 291 S CA -0.340 57.874 58.200 0.024 0.000 0.991 291 S CB 1.227 64.473 63.200 0.077 0.000 0.987 291 S HN 1.015 nan 8.310 nan 0.000 0.552 292 T N 0.186 114.745 114.554 0.009 0.000 2.680 292 T HA 0.140 4.491 4.350 0.001 0.000 0.314 292 T C -1.577 173.135 174.700 0.020 0.000 1.045 292 T CA -1.035 61.069 62.100 0.007 0.000 1.025 292 T CB -0.412 68.466 68.868 0.015 0.000 1.000 292 T HN 0.342 nan 8.240 nan 0.000 0.535 293 P HA -0.041 nan 4.420 nan 0.000 0.213 293 P C 1.809 179.130 177.300 0.035 0.000 1.170 293 P CA 1.670 64.783 63.100 0.021 0.000 0.898 293 P CB -0.981 30.729 31.700 0.016 0.000 0.787 294 G N 0.574 109.395 108.800 0.034 0.000 2.896 294 G HA2 -0.260 3.701 3.960 0.001 0.000 0.225 294 G HA3 -0.260 3.701 3.960 0.001 0.000 0.225 294 G C 0.211 175.149 174.900 0.064 0.000 1.265 294 G CA 1.177 46.303 45.100 0.043 0.000 0.778 294 G HN 0.354 nan 8.290 nan 0.000 0.714 295 E N -0.425 119.821 120.200 0.076 0.000 2.207 295 E HA 0.463 4.814 4.350 0.001 0.000 0.270 295 E C 0.575 177.239 176.600 0.106 0.000 0.927 295 E CA -0.737 55.731 56.400 0.113 0.000 0.799 295 E CB 1.763 31.551 29.700 0.146 0.000 1.172 295 E HN 0.259 nan 8.360 nan 0.000 0.404 296 Q N 1.028 120.897 119.800 0.116 0.000 2.929 296 Q HA 0.039 4.380 4.340 0.001 0.000 0.260 296 Q C -0.454 175.622 176.000 0.126 0.000 1.149 296 Q CA 0.129 55.994 55.803 0.103 0.000 0.546 296 Q CB -0.033 28.758 28.738 0.089 0.000 5.136 296 Q HN 0.609 nan 8.270 nan 0.000 0.357 297 D N 1.642 122.127 120.400 0.141 0.000 4.812 297 D HA -0.153 4.488 4.640 0.001 0.000 0.206 297 D C -0.327 176.075 176.300 0.169 0.000 1.283 297 D CA 0.899 55.010 54.000 0.185 0.000 0.795 297 D CB -0.459 40.473 40.800 0.219 0.000 1.274 297 D HN 0.176 nan 8.370 nan 0.000 0.710 298 L N 2.666 123.986 121.223 0.161 0.000 2.365 298 L HA 0.310 4.650 4.340 0.001 0.000 0.273 298 L C 1.336 178.204 176.870 -0.003 0.000 1.000 298 L CA -0.776 54.126 54.840 0.103 0.000 0.819 298 L CB 2.022 44.137 42.059 0.093 0.000 1.284 298 L HN 0.452 nan 8.230 nan 0.000 0.418 299 L N 1.528 122.678 121.223 -0.122 0.000 3.470 299 L HA -0.357 3.984 4.340 0.001 0.000 0.128 299 L C -0.635 175.952 176.870 -0.472 0.000 4.405 299 L CA 1.558 56.087 54.840 -0.518 0.000 0.603 299 L CB -0.664 40.721 42.059 -1.123 0.000 3.528 299 L HN 0.480 nan 8.230 nan 0.000 0.821 300 F N -0.739 119.387 119.950 0.294 0.000 2.598 300 F HA 0.601 5.128 4.527 0.001 0.000 0.327 300 F C 0.355 176.364 175.800 0.349 0.000 1.057 300 F CA -1.089 57.139 58.000 0.380 0.000 0.957 300 F CB 0.786 40.100 39.000 0.523 0.000 1.278 300 F HN -0.143 nan 8.300 nan 0.000 0.484 301 K N 0.484 121.245 120.400 0.603 0.000 2.455 301 K HA 0.011 4.332 4.320 0.001 0.000 0.269 301 K C -1.119 175.701 176.600 0.367 0.000 0.972 301 K CA 0.168 56.739 56.287 0.473 0.000 0.938 301 K CB 0.149 32.960 32.500 0.518 0.000 0.931 301 K HN 0.615 nan 8.250 nan 0.000 0.507 302 D N 1.562 122.110 120.400 0.247 0.000 2.295 302 D HA 0.226 4.867 4.640 0.001 0.000 0.248 302 D C -1.062 175.313 176.300 0.125 0.000 1.154 302 D CA 0.817 54.929 54.000 0.187 0.000 0.857 302 D CB 0.432 41.306 40.800 0.124 0.000 1.117 302 D HN 0.601 nan 8.370 nan 0.000 0.468 303 S N 1.337 117.126 115.700 0.148 0.000 3.393 303 S HA 0.121 4.592 4.470 0.001 0.000 0.655 303 S C -0.862 173.746 174.600 0.013 0.000 0.634 303 S CA 0.391 58.639 58.200 0.079 0.000 1.428 303 S CB -0.829 62.392 63.200 0.034 0.000 0.998 303 S HN 0.717 nan 8.310 nan 0.000 0.915 304 A N 4.473 127.170 122.820 -0.205 0.000 2.541 304 A HA 0.572 4.893 4.320 0.001 0.000 0.285 304 A C 0.613 177.725 177.584 -0.787 0.000 1.058 304 A CA -0.532 51.299 52.037 -0.344 0.000 0.886 304 A CB 0.461 19.262 19.000 -0.332 0.000 1.411 304 A HN 0.696 nan 8.150 nan 0.000 0.403 305 L N 1.141 122.128 121.223 -0.393 0.000 2.201 305 L HA -0.263 4.078 4.340 0.001 0.000 0.233 305 L C 1.311 177.909 176.870 -0.452 0.000 1.115 305 L CA 3.418 58.072 54.840 -0.309 0.000 0.840 305 L CB -1.044 40.899 42.059 -0.193 0.000 0.924 305 L HN 1.405 nan 8.230 nan 0.000 0.450 306 G N -4.060 104.278 108.800 -0.768 0.000 2.360 306 G HA2 0.316 4.277 3.960 0.001 0.000 0.276 306 G HA3 0.316 4.277 3.960 0.001 0.000 0.276 306 G C -1.518 172.879 174.900 -0.838 0.000 1.256 306 G CA -0.274 44.287 45.100 -0.900 0.000 0.890 306 G HN 0.049 nan 8.290 nan 0.000 0.486 307 F N -0.648 119.257 119.950 -0.076 0.000 2.631 307 F HA 0.843 5.370 4.527 0.001 0.000 0.328 307 F C 0.158 176.011 175.800 0.088 0.000 1.067 307 F CA -1.372 56.622 58.000 -0.009 0.000 0.969 307 F CB 2.055 41.099 39.000 0.074 0.000 1.332 307 F HN 0.538 nan 8.300 nan 0.000 0.490 308 V N -0.948 119.191 119.914 0.375 0.000 2.760 308 V HA 0.609 4.729 4.120 0.001 0.000 0.309 308 V C -0.539 175.664 176.094 0.182 0.000 1.077 308 V CA -1.259 61.218 62.300 0.295 0.000 0.910 308 V CB 1.530 33.447 31.823 0.157 0.000 1.008 308 V HN 0.880 nan 8.190 nan 0.000 0.424 309 R N 3.466 123.987 120.500 0.036 0.000 2.484 309 R HA 0.409 4.750 4.340 0.001 0.000 0.293 309 R C -0.494 175.525 176.300 -0.468 0.000 1.023 309 R CA -0.141 55.717 56.100 -0.404 0.000 1.037 309 R CB 0.259 29.806 30.300 -1.255 0.000 0.951 309 R HN 0.804 nan 8.270 nan 0.000 0.418 310 I N 7.706 128.085 120.570 -0.318 0.000 2.441 310 I HA 0.200 4.371 4.170 0.001 0.000 0.287 310 I C -1.777 174.184 176.117 -0.260 0.000 1.049 310 I CA -2.455 58.670 61.300 -0.292 0.000 1.381 310 I CB 1.371 39.341 38.000 -0.050 0.000 1.409 310 I HN 0.514 nan 8.210 nan 0.000 0.523 311 P HA -0.017 nan 4.420 nan 0.000 0.261 311 P C 0.751 178.001 177.300 -0.083 0.000 1.183 311 P CA 0.372 63.386 63.100 -0.145 0.000 0.761 311 P CB 0.728 32.394 31.700 -0.057 0.000 0.785 312 S N 2.909 118.548 115.700 -0.102 0.000 2.407 312 S HA -0.336 4.135 4.470 0.001 0.000 0.244 312 S C 1.834 176.410 174.600 -0.040 0.000 1.077 312 S CA 2.246 60.401 58.200 -0.075 0.000 1.159 312 S CB -0.584 62.572 63.200 -0.073 0.000 1.045 312 S HN 0.620 nan 8.310 nan 0.000 0.438 313 Q N 0.768 120.553 119.800 -0.026 0.000 2.170 313 Q HA 0.061 4.402 4.340 0.001 0.000 0.203 313 Q C 0.386 176.395 176.000 0.014 0.000 0.976 313 Q CA 0.958 56.755 55.803 -0.009 0.000 0.858 313 Q CB -0.384 28.349 28.738 -0.008 0.000 0.907 313 Q HN 0.668 nan 8.270 nan 0.000 0.433 314 I N 2.758 123.354 120.570 0.042 0.000 2.828 314 I HA -0.099 4.072 4.170 0.001 0.000 0.292 314 I C 0.052 176.212 176.117 0.072 0.000 1.206 314 I CA 0.331 61.685 61.300 0.089 0.000 1.420 314 I CB -0.143 37.967 38.000 0.183 0.000 1.368 314 I HN 0.386 nan 8.210 nan 0.000 0.556 315 D N 3.107 123.551 120.400 0.072 0.000 2.449 315 D HA 0.358 4.998 4.640 0.001 0.000 0.250 315 D C 1.015 177.370 176.300 0.091 0.000 1.050 315 D CA -0.447 53.586 54.000 0.056 0.000 1.024 315 D CB 0.978 41.800 40.800 0.038 0.000 1.218 315 D HN 0.483 nan 8.370 nan 0.000 0.566 316 S N 0.424 116.167 115.700 0.071 0.000 2.492 316 S HA -0.270 4.200 4.470 0.001 0.000 0.234 316 S C 2.252 176.945 174.600 0.155 0.000 1.050 316 S CA 1.367 59.627 58.200 0.101 0.000 1.203 316 S CB -1.985 61.270 63.200 0.091 0.000 1.161 316 S HN 0.785 nan 8.310 nan 0.000 0.417 317 G N 2.335 111.227 108.800 0.153 0.000 2.681 317 G HA2 -0.303 3.657 3.960 0.001 0.000 0.220 317 G HA3 -0.303 3.657 3.960 0.001 0.000 0.220 317 G C 1.399 176.364 174.900 0.109 0.000 1.210 317 G CA 1.472 46.660 45.100 0.147 0.000 0.783 317 G HN 0.508 nan 8.290 nan 0.000 0.609 318 L N -0.758 120.518 121.223 0.089 0.000 1.987 318 L HA -0.255 4.086 4.340 0.001 0.000 0.230 318 L C 2.567 179.479 176.870 0.071 0.000 1.089 318 L CA 2.801 57.679 54.840 0.064 0.000 0.802 318 L CB -0.690 41.411 42.059 0.070 0.000 0.905 318 L HN 0.406 nan 8.230 nan 0.000 0.441 319 Y N -0.477 119.825 120.300 0.003 0.000 2.069 319 Y HA -0.349 4.202 4.550 0.001 0.000 0.278 319 Y C 2.269 178.125 175.900 -0.073 0.000 1.175 319 Y CA 2.313 60.405 58.100 -0.014 0.000 1.134 319 Y CB -0.354 38.115 38.460 0.015 0.000 0.965 319 Y HN 0.183 nan 8.280 nan 0.000 0.498 320 L N -0.025 121.283 121.223 0.142 0.000 2.079 320 L HA -0.042 4.299 4.340 0.001 0.000 0.210 320 L C 1.332 178.122 176.870 -0.133 0.000 1.081 320 L CA 0.948 55.741 54.840 -0.078 0.000 0.752 320 L CB -1.456 40.577 42.059 -0.044 0.000 0.896 320 L HN 0.514 nan 8.230 nan 0.000 0.433 321 G N -2.087 106.683 108.800 -0.050 0.000 2.721 321 G HA2 -0.030 3.931 3.960 0.001 0.000 0.686 321 G HA3 -0.030 3.931 3.960 0.001 0.000 0.686 321 G C 0.534 175.436 174.900 0.005 0.000 1.236 321 G CA -0.241 44.824 45.100 -0.058 0.000 0.786 321 G HN 0.287 nan 8.290 nan 0.000 0.616 322 A N 1.936 124.743 122.820 -0.022 0.000 1.852 322 A HA -0.201 4.120 4.320 0.001 0.000 0.217 322 A C 2.414 179.988 177.584 -0.017 0.000 1.215 322 A CA 2.919 54.942 52.037 -0.023 0.000 0.641 322 A CB -1.103 17.869 19.000 -0.047 0.000 0.838 322 A HN 1.691 nan 8.150 nan 0.000 0.450 323 N N -1.058 117.626 118.700 -0.027 0.000 2.150 323 N HA -0.344 4.397 4.740 0.001 0.000 0.196 323 N C 1.545 177.055 175.510 -0.001 0.000 0.982 323 N CA 2.430 55.465 53.050 -0.025 0.000 0.896 323 N CB -0.945 37.526 38.487 -0.026 0.000 1.077 323 N HN 0.679 nan 8.380 nan 0.000 0.621 324 Y N 0.986 121.220 120.300 -0.110 0.000 2.034 324 Y HA -0.230 4.320 4.550 0.001 0.000 0.269 324 Y C 2.337 178.160 175.900 -0.129 0.000 1.125 324 Y CA 1.456 59.489 58.100 -0.112 0.000 1.097 324 Y CB -0.683 37.713 38.460 -0.107 0.000 0.978 324 Y HN 0.065 nan 8.280 nan 0.000 0.480 325 L N 0.143 121.446 121.223 0.134 0.000 2.143 325 L HA -0.415 3.926 4.340 0.001 0.000 0.231 325 L C 2.334 179.094 176.870 -0.184 0.000 1.106 325 L CA 3.115 57.932 54.840 -0.038 0.000 0.827 325 L CB -1.941 40.125 42.059 0.011 0.000 0.915 325 L HN 0.631 nan 8.230 nan 0.000 0.448 326 T N -2.643 111.829 114.554 -0.137 0.000 2.857 326 T HA 0.015 4.365 4.350 0.001 0.000 0.266 326 T C 1.506 176.106 174.700 -0.168 0.000 1.048 326 T CA 0.871 62.890 62.100 -0.136 0.000 1.139 326 T CB -0.358 68.449 68.868 -0.101 0.000 0.874 326 T HN 0.413 nan 8.240 nan 0.000 0.455 327 A N 1.192 123.885 122.820 -0.212 0.000 2.370 327 A HA 0.377 4.698 4.320 0.001 0.000 0.238 327 A C 1.366 178.770 177.584 -0.299 0.000 1.289 327 A CA -0.054 51.854 52.037 -0.216 0.000 0.885 327 A CB -0.398 18.483 19.000 -0.199 0.000 0.961 327 A HN 0.428 nan 8.150 nan 0.000 0.499 328 T N -1.346 112.987 114.554 -0.369 0.000 3.339 328 T HA 0.247 4.598 4.350 0.001 0.000 0.292 328 T C 0.823 175.331 174.700 -0.319 0.000 1.012 328 T CA 0.023 61.858 62.100 -0.441 0.000 0.937 328 T CB 0.358 68.752 68.868 -0.790 0.000 1.164 328 T HN 0.387 nan 8.240 nan 0.000 0.509 329 Q N 0.600 120.291 119.800 -0.181 0.000 2.384 329 Q HA 0.311 4.652 4.340 0.001 0.000 0.264 329 Q C 1.818 177.817 176.000 -0.001 0.000 0.825 329 Q CA 0.186 55.944 55.803 -0.074 0.000 0.984 329 Q CB 0.385 29.081 28.738 -0.071 0.000 1.183 329 Q HN 0.391 nan 8.270 nan 0.000 0.537 330 N N 0.448 119.135 118.700 -0.022 0.000 2.272 330 N HA -0.149 4.592 4.740 0.001 0.000 0.185 330 N C 1.031 176.625 175.510 0.141 0.000 1.014 330 N CA 0.953 54.017 53.050 0.023 0.000 0.870 330 N CB 0.021 38.503 38.487 -0.008 0.000 0.975 330 N HN 0.230 nan 8.380 nan 0.000 0.433 331 L N 0.782 122.091 121.223 0.144 0.000 2.552 331 L HA 0.018 4.359 4.340 0.001 0.000 0.227 331 L C 1.871 178.896 176.870 0.258 0.000 1.146 331 L CA 0.487 55.471 54.840 0.241 0.000 0.858 331 L CB -0.091 42.059 42.059 0.152 0.000 0.969 331 L HN 0.266 nan 8.230 nan 0.000 0.451 332 R N -1.840 118.781 120.500 0.200 0.000 2.531 332 R HA 0.306 4.647 4.340 0.001 0.000 0.316 332 R C -0.283 176.110 176.300 0.155 0.000 0.955 332 R CA -0.196 56.017 56.100 0.189 0.000 1.120 332 R CB 0.611 31.020 30.300 0.182 0.000 1.361 332 R HN 0.079 nan 8.270 nan 0.000 0.534 333 E N 1.509 121.788 120.200 0.130 0.000 2.288 333 E HA 0.204 4.554 4.350 0.001 0.000 0.268 333 E C -0.716 175.895 176.600 0.019 0.000 0.885 333 E CA -0.681 55.759 56.400 0.066 0.000 0.767 333 E CB 2.379 32.098 29.700 0.031 0.000 1.220 333 E HN -0.107 nan 8.360 nan 0.000 0.427 334 T N 0.380 114.914 114.554 -0.032 0.000 2.589 334 T HA 0.111 4.462 4.350 0.001 0.000 0.342 334 T C 1.212 175.800 174.700 -0.186 0.000 1.044 334 T CA 0.871 62.888 62.100 -0.138 0.000 1.020 334 T CB 0.474 69.274 68.868 -0.113 0.000 1.070 334 T HN 0.536 nan 8.240 nan 0.000 0.524 335 A N 0.595 123.259 122.820 -0.260 0.000 1.943 335 A HA 0.399 4.719 4.320 0.001 0.000 0.213 335 A C 2.575 180.075 177.584 -0.139 0.000 1.181 335 A CA 1.341 53.243 52.037 -0.225 0.000 0.653 335 A CB -1.236 17.596 19.000 -0.280 0.000 0.833 335 A HN 0.953 nan 8.150 nan 0.000 0.451 336 A N 0.433 123.180 122.820 -0.121 0.000 1.841 336 A HA -0.212 4.108 4.320 0.001 0.000 0.216 336 A C 1.840 179.385 177.584 -0.064 0.000 1.199 336 A CA 1.782 53.770 52.037 -0.081 0.000 0.621 336 A CB -0.865 18.095 19.000 -0.067 0.000 0.835 336 A HN 0.569 nan 8.150 nan 0.000 0.445 337 E N -0.491 119.673 120.200 -0.059 0.000 2.108 337 E HA -0.220 4.131 4.350 0.001 0.000 0.203 337 E C 1.973 178.543 176.600 -0.050 0.000 1.022 337 E CA 1.624 57.997 56.400 -0.045 0.000 0.823 337 E CB -0.554 29.124 29.700 -0.036 0.000 0.744 337 E HN 0.360 nan 8.360 nan 0.000 0.456 338 V N 1.404 121.281 119.914 -0.062 0.000 2.218 338 V HA -0.405 3.715 4.120 0.001 0.000 0.251 338 V C 2.360 178.415 176.094 -0.064 0.000 1.057 338 V CA 2.258 64.518 62.300 -0.065 0.000 1.022 338 V CB -1.094 30.683 31.823 -0.078 0.000 0.645 338 V HN 0.465 nan 8.190 nan 0.000 0.451 339 A N -0.166 122.617 122.820 -0.062 0.000 1.870 339 A HA -0.333 3.988 4.320 0.001 0.000 0.219 339 A C 2.436 179.994 177.584 -0.044 0.000 1.224 339 A CA 3.593 55.599 52.037 -0.051 0.000 0.650 339 A CB -1.367 17.608 19.000 -0.042 0.000 0.836 339 A HN 0.827 nan 8.150 nan 0.000 0.454 340 A N -0.369 122.430 122.820 -0.035 0.000 1.863 340 A HA -0.317 4.004 4.320 0.001 0.000 0.218 340 A C 2.153 179.715 177.584 -0.037 0.000 1.233 340 A CA 3.247 55.268 52.037 -0.026 0.000 0.655 340 A CB -0.736 18.250 19.000 -0.023 0.000 0.839 340 A HN 0.614 nan 8.150 nan 0.000 0.454 341 R N -0.008 120.464 120.500 -0.045 0.000 2.154 341 R HA -0.190 4.151 4.340 0.001 0.000 0.248 341 R C 2.133 178.384 176.300 -0.083 0.000 1.155 341 R CA 2.268 58.334 56.100 -0.056 0.000 0.979 341 R CB -0.524 29.744 30.300 -0.053 0.000 0.869 341 R HN 0.639 nan 8.270 nan 0.000 0.452 342 R N 0.718 121.160 120.500 -0.096 0.000 2.082 342 R HA -0.005 4.335 4.340 0.001 0.000 0.218 342 R C 0.185 176.350 176.300 -0.226 0.000 1.171 342 R CA 1.159 57.169 56.100 -0.150 0.000 0.914 342 R CB -0.462 29.761 30.300 -0.129 0.000 0.806 342 R HN 0.270 nan 8.270 nan 0.000 0.453 343 E N 1.562 121.664 120.200 -0.163 0.000 2.265 343 E HA 0.011 4.361 4.350 0.001 0.000 0.272 343 E C -1.112 175.514 176.600 0.044 0.000 1.067 343 E CA 0.122 56.468 56.400 -0.090 0.000 0.900 343 E CB 0.354 30.166 29.700 0.185 0.000 1.017 343 E HN 0.427 nan 8.360 nan 0.000 0.431 344 R N 0.961 121.535 120.500 0.122 0.000 4.605 344 R HA 0.036 4.377 4.340 0.001 0.000 0.242 344 R C -2.272 174.052 176.300 0.040 0.000 0.928 344 R CA -0.363 55.792 56.100 0.092 0.000 0.997 344 R CB -0.561 29.751 30.300 0.020 0.000 1.359 344 R HN 0.170 nan 8.270 nan 0.000 0.578 345 V N 1.468 121.394 119.914 0.020 0.000 2.864 345 V HA 0.793 4.914 4.120 0.001 0.000 0.314 345 V C -0.586 175.489 176.094 -0.033 0.000 1.073 345 V CA -0.832 61.466 62.300 -0.003 0.000 0.956 345 V CB 2.080 33.925 31.823 0.036 0.000 1.023 345 V HN 0.534 nan 8.190 nan 0.000 0.435 346 V N 2.206 122.098 119.914 -0.038 0.000 2.380 346 V HA 0.328 4.449 4.120 0.001 0.000 0.286 346 V C -0.710 175.381 176.094 -0.005 0.000 1.015 346 V CA -0.474 61.813 62.300 -0.022 0.000 0.834 346 V CB 1.594 33.392 31.823 -0.042 0.000 1.009 346 V HN 0.863 nan 8.190 nan 0.000 0.428 347 W N 4.541 125.783 121.300 -0.096 0.000 2.316 347 W HA 0.427 5.088 4.660 0.001 0.000 0.321 347 W C -0.061 176.441 176.519 -0.028 0.000 1.203 347 W CA -0.445 56.877 57.345 -0.038 0.000 1.214 347 W CB 1.736 31.197 29.460 0.002 0.000 1.169 347 W HN 0.586 nan 8.180 nan 0.000 0.561 348 c N 5.383 124.012 118.600 0.049 0.000 2.295 348 c HA 0.777 5.347 4.570 0.001 0.000 0.331 348 c C 0.342 174.547 174.090 0.192 0.000 1.280 348 c CA -0.269 56.103 56.329 0.071 0.000 1.746 348 c CB -0.581 41.900 42.510 -0.048 0.000 2.328 348 c HN 0.617 nan 8.230 nan 0.000 0.521 349 A N 4.613 127.509 122.820 0.127 0.000 2.299 349 A HA 0.861 5.182 4.320 0.001 0.000 0.332 349 A C -1.020 176.583 177.584 0.032 0.000 1.131 349 A CA -0.426 51.671 52.037 0.099 0.000 0.844 349 A CB 1.083 20.122 19.000 0.064 0.000 1.251 349 A HN 0.831 nan 8.150 nan 0.000 0.486 350 V N 0.615 120.539 119.914 0.017 0.000 2.531 350 V HA 0.688 4.809 4.120 0.001 0.000 0.301 350 V C 0.485 176.565 176.094 -0.023 0.000 1.034 350 V CA 0.442 62.729 62.300 -0.022 0.000 0.865 350 V CB 0.743 32.548 31.823 -0.030 0.000 0.995 350 V HN 2.170 nan 8.190 nan 0.000 0.424 351 G N 6.805 115.580 108.800 -0.043 0.000 2.854 351 G HA2 -0.095 3.866 3.960 0.001 0.000 0.686 351 G HA3 -0.095 3.866 3.960 0.001 0.000 0.686 351 G C -1.941 172.946 174.900 -0.023 0.000 1.202 351 G CA -0.346 44.731 45.100 -0.038 0.000 0.878 351 G HN 0.599 nan 8.290 nan 0.000 0.583 352 P HA -0.094 nan 4.420 nan 0.000 0.217 352 P C 1.591 178.881 177.300 -0.017 0.000 1.148 352 P CA 1.689 64.777 63.100 -0.019 0.000 0.828 352 P CB 0.187 31.875 31.700 -0.019 0.000 0.783 353 E N -0.191 120.003 120.200 -0.010 0.000 2.033 353 E HA -0.244 4.107 4.350 0.001 0.000 0.199 353 E C 2.018 178.609 176.600 -0.016 0.000 1.011 353 E CA 1.503 57.900 56.400 -0.006 0.000 0.815 353 E CB -0.299 29.408 29.700 0.011 0.000 0.755 353 E HN 0.331 nan 8.360 nan 0.000 0.451 354 E N 0.001 120.193 120.200 -0.013 0.000 2.031 354 E HA -0.254 4.097 4.350 0.001 0.000 0.193 354 E C 2.152 178.732 176.600 -0.035 0.000 0.994 354 E CA 1.113 57.496 56.400 -0.028 0.000 0.800 354 E CB -0.151 29.542 29.700 -0.012 0.000 0.752 354 E HN 0.291 nan 8.360 nan 0.000 0.447 355 E N 1.305 121.493 120.200 -0.020 0.000 2.095 355 E HA -0.309 4.041 4.350 0.001 0.000 0.212 355 E C 2.078 178.657 176.600 -0.035 0.000 1.044 355 E CA 2.028 58.417 56.400 -0.018 0.000 0.857 355 E CB -0.007 29.683 29.700 -0.016 0.000 0.764 355 E HN 0.118 nan 8.360 nan 0.000 0.462 356 R N 0.382 120.858 120.500 -0.039 0.000 2.112 356 R HA -0.232 4.108 4.340 0.001 0.000 0.242 356 R C 2.661 178.909 176.300 -0.088 0.000 1.137 356 R CA 2.019 58.087 56.100 -0.053 0.000 0.944 356 R CB -0.489 29.785 30.300 -0.044 0.000 0.857 356 R HN 0.185 nan 8.270 nan 0.000 0.435 357 K N 0.591 120.930 120.400 -0.101 0.000 1.987 357 K HA -0.257 4.064 4.320 0.001 0.000 0.216 357 K C 2.269 178.752 176.600 -0.196 0.000 1.051 357 K CA 2.046 58.228 56.287 -0.176 0.000 0.942 357 K CB -0.512 31.897 32.500 -0.151 0.000 0.722 357 K HN 0.249 nan 8.250 nan 0.000 0.444 358 c N 1.644 120.178 118.600 -0.110 0.000 2.326 358 c HA -0.236 4.335 4.570 0.001 0.000 0.269 358 c C 2.546 176.620 174.090 -0.027 0.000 1.140 358 c CA 1.735 58.048 56.329 -0.026 0.000 1.798 358 c CB -0.865 41.654 42.510 0.016 0.000 2.053 358 c HN 0.546 nan 8.230 nan 0.000 0.438 359 K N 0.034 120.402 120.400 -0.053 0.000 2.015 359 K HA -0.252 4.069 4.320 0.001 0.000 0.216 359 K C 1.940 178.492 176.600 -0.081 0.000 1.052 359 K CA 2.222 58.476 56.287 -0.054 0.000 0.937 359 K CB -0.992 31.475 32.500 -0.054 0.000 0.719 359 K HN 0.735 nan 8.250 nan 0.000 0.446 360 Q N -0.197 119.510 119.800 -0.154 0.000 2.047 360 Q HA -0.249 4.091 4.340 0.001 0.000 0.211 360 Q C 2.036 177.919 176.000 -0.195 0.000 1.005 360 Q CA 1.962 57.628 55.803 -0.229 0.000 0.866 360 Q CB -0.574 27.915 28.738 -0.416 0.000 0.938 360 Q HN 0.421 nan 8.270 nan 0.000 0.414 361 W N 1.665 122.659 121.300 -0.510 0.000 2.290 361 W HA -0.270 4.390 4.660 0.001 0.000 0.311 361 W C 2.626 179.080 176.519 -0.108 0.000 1.238 361 W CA 1.549 58.677 57.345 -0.361 0.000 1.255 361 W CB -0.977 28.328 29.460 -0.259 0.000 1.145 361 W HN 0.174 nan 8.180 nan 0.000 0.506 362 S N 0.716 116.433 115.700 0.028 0.000 2.398 362 S HA -0.275 4.195 4.470 0.001 0.000 0.220 362 S C 1.845 176.456 174.600 0.017 0.000 1.038 362 S CA 2.689 60.870 58.200 -0.032 0.000 1.080 362 S CB -1.036 62.142 63.200 -0.036 0.000 1.039 362 S HN 0.473 nan 8.310 nan 0.000 0.419 363 D N 1.037 121.444 120.400 0.011 0.000 2.149 363 D HA -0.133 4.508 4.640 0.001 0.000 0.194 363 D C 2.139 178.477 176.300 0.064 0.000 1.001 363 D CA 1.689 55.703 54.000 0.025 0.000 0.849 363 D CB -1.014 39.788 40.800 0.003 0.000 0.939 363 D HN 0.429 nan 8.370 nan 0.000 0.449 364 V N 1.755 121.716 119.914 0.078 0.000 2.255 364 V HA -0.250 3.871 4.120 0.001 0.000 0.247 364 V C 2.850 179.105 176.094 0.268 0.000 1.051 364 V CA 2.389 64.773 62.300 0.139 0.000 1.018 364 V CB -0.916 30.947 31.823 0.067 0.000 0.641 364 V HN 0.440 nan 8.190 nan 0.000 0.445 365 S N -0.956 114.941 115.700 0.328 0.000 2.607 365 S HA -0.066 4.404 4.470 0.001 0.000 0.224 365 S C 0.954 175.652 174.600 0.163 0.000 0.969 365 S CA 0.505 58.903 58.200 0.331 0.000 0.927 365 S CB -0.596 62.760 63.200 0.260 0.000 0.772 365 S HN 0.641 nan 8.310 nan 0.000 0.533 366 N N 1.946 120.718 118.700 0.120 0.000 2.780 366 N HA -0.162 4.578 4.740 0.001 0.000 0.247 366 N C 0.236 175.770 175.510 0.040 0.000 1.076 366 N CA 0.886 53.979 53.050 0.073 0.000 0.688 366 N CB -1.220 37.314 38.487 0.077 0.000 0.957 366 N HN 0.674 nan 8.380 nan 0.000 0.551 367 R N -2.047 118.464 120.500 0.018 0.000 3.862 367 R HA -0.281 4.060 4.340 0.001 0.000 0.470 367 R C 1.352 177.633 176.300 -0.032 0.000 0.879 367 R CA 1.898 57.990 56.100 -0.013 0.000 1.508 367 R CB -1.276 29.022 30.300 -0.003 0.000 2.170 367 R HN 0.415 nan 8.270 nan 0.000 0.496 368 K N 0.785 121.176 120.400 -0.016 0.000 2.173 368 K HA -0.099 4.222 4.320 0.001 0.000 0.207 368 K C 0.624 177.173 176.600 -0.085 0.000 1.046 368 K CA 1.622 57.899 56.287 -0.018 0.000 0.929 368 K CB 0.149 32.662 32.500 0.022 0.000 0.720 368 K HN 0.013 nan 8.250 nan 0.000 0.453 369 V N 0.816 120.607 119.914 -0.205 0.000 2.326 369 V HA 0.420 4.541 4.120 0.001 0.000 0.281 369 V C -0.195 175.758 176.094 -0.235 0.000 1.015 369 V CA -0.894 61.204 62.300 -0.336 0.000 0.823 369 V CB 1.040 32.320 31.823 -0.906 0.000 1.009 369 V HN 0.179 nan 8.190 nan 0.000 0.436 370 A N 3.948 126.698 122.820 -0.118 0.000 2.239 370 A HA 0.842 5.162 4.320 0.001 0.000 0.303 370 A C -0.143 177.423 177.584 -0.029 0.000 1.114 370 A CA -0.305 51.694 52.037 -0.063 0.000 0.871 370 A CB 1.052 20.029 19.000 -0.038 0.000 1.201 370 A HN 0.794 nan 8.150 nan 0.000 0.506 371 c N -1.903 116.694 118.600 -0.004 0.000 3.154 371 c HA 0.957 5.527 4.570 0.001 0.000 0.312 371 c C -0.126 173.978 174.090 0.023 0.000 1.349 371 c CA 0.327 56.677 56.329 0.035 0.000 1.518 371 c CB 1.578 44.111 42.510 0.039 0.000 1.934 371 c HN 1.500 nan 8.230 nan 0.000 0.462 372 A N 1.425 124.266 122.820 0.035 0.000 2.534 372 A HA 0.680 5.001 4.320 0.001 0.000 0.300 372 A C -0.646 176.949 177.584 0.019 0.000 1.054 372 A CA -0.007 52.039 52.037 0.014 0.000 0.858 372 A CB 0.613 19.613 19.000 0.000 0.000 1.333 372 A HN 1.411 nan 8.150 nan 0.000 0.391 373 S N 1.469 117.174 115.700 0.007 0.000 2.607 373 S HA 0.976 5.447 4.470 0.001 0.000 0.303 373 S C 0.125 174.714 174.600 -0.020 0.000 1.086 373 S CA 0.034 58.235 58.200 0.001 0.000 0.995 373 S CB 1.978 65.179 63.200 0.002 0.000 1.084 373 S HN 2.335 nan 8.310 nan 0.000 0.507 374 A N 1.306 124.105 122.820 -0.034 0.000 2.443 374 A HA 0.867 5.188 4.320 0.001 0.000 0.278 374 A C 0.693 178.238 177.584 -0.065 0.000 1.252 374 A CA -0.587 51.419 52.037 -0.051 0.000 0.816 374 A CB 0.623 19.584 19.000 -0.064 0.000 1.369 374 A HN 0.829 nan 8.150 nan 0.000 0.446 375 S N -0.681 114.973 115.700 -0.077 0.000 2.306 375 S HA 0.120 4.591 4.470 0.001 0.000 0.173 375 S C 1.327 175.851 174.600 -0.128 0.000 1.105 375 S CA 0.895 59.039 58.200 -0.092 0.000 1.383 375 S CB -0.737 62.412 63.200 -0.085 0.000 0.808 375 S HN 1.072 nan 8.310 nan 0.000 0.424 376 T N 1.608 116.075 114.554 -0.145 0.000 2.724 376 T HA 0.039 4.390 4.350 0.001 0.000 0.324 376 T C 1.340 175.911 174.700 -0.215 0.000 1.071 376 T CA 0.719 62.700 62.100 -0.197 0.000 1.061 376 T CB 0.200 68.953 68.868 -0.193 0.000 0.990 376 T HN 0.416 nan 8.240 nan 0.000 0.543 377 T N 2.466 116.842 114.554 -0.296 0.000 2.737 377 T HA -0.076 4.275 4.350 0.001 0.000 0.265 377 T C 1.844 176.342 174.700 -0.336 0.000 1.038 377 T CA 1.408 63.314 62.100 -0.323 0.000 1.144 377 T CB -0.315 68.259 68.868 -0.490 0.000 0.866 377 T HN 0.733 nan 8.240 nan 0.000 0.434 378 E N 1.750 121.699 120.200 -0.419 0.000 2.108 378 E HA -0.256 4.094 4.350 0.001 0.000 0.203 378 E C 2.206 178.694 176.600 -0.186 0.000 1.022 378 E CA 1.345 57.565 56.400 -0.299 0.000 0.823 378 E CB -0.377 29.182 29.700 -0.235 0.000 0.744 378 E HN 0.615 nan 8.360 nan 0.000 0.456 379 E N 0.146 120.249 120.200 -0.161 0.000 2.130 379 E HA -0.207 4.144 4.350 0.001 0.000 0.196 379 E C 2.217 178.757 176.600 -0.101 0.000 0.998 379 E CA 1.008 57.341 56.400 -0.112 0.000 0.806 379 E CB -0.178 29.462 29.700 -0.100 0.000 0.738 379 E HN 0.266 nan 8.360 nan 0.000 0.459 380 c N 0.191 118.720 118.600 -0.118 0.000 2.436 380 c HA -0.144 4.427 4.570 0.001 0.000 0.277 380 c C 2.564 176.593 174.090 -0.102 0.000 1.241 380 c CA 0.415 56.685 56.329 -0.098 0.000 1.721 380 c CB -0.889 41.564 42.510 -0.095 0.000 2.043 380 c HN 0.390 nan 8.230 nan 0.000 0.472 381 I N 1.526 122.024 120.570 -0.120 0.000 2.094 381 I HA -0.368 3.803 4.170 0.001 0.000 0.236 381 I C 2.715 178.779 176.117 -0.087 0.000 1.016 381 I CA 2.112 63.348 61.300 -0.107 0.000 1.294 381 I CB -1.202 36.735 38.000 -0.106 0.000 1.006 381 I HN 0.414 nan 8.210 nan 0.000 0.397 382 A N 1.346 124.120 122.820 -0.077 0.000 1.901 382 A HA -0.332 3.989 4.320 0.001 0.000 0.227 382 A C 2.223 179.775 177.584 -0.054 0.000 1.551 382 A CA 2.878 54.881 52.037 -0.056 0.000 0.769 382 A CB -1.522 17.449 19.000 -0.048 0.000 0.845 382 A HN 0.500 nan 8.150 nan 0.000 0.481 383 L N -1.264 119.928 121.223 -0.052 0.000 2.123 383 L HA -0.270 4.071 4.340 0.001 0.000 0.217 383 L C 2.470 179.305 176.870 -0.058 0.000 1.081 383 L CA 1.727 56.539 54.840 -0.047 0.000 0.772 383 L CB -0.794 41.236 42.059 -0.048 0.000 0.890 383 L HN 0.394 nan 8.230 nan 0.000 0.437 384 V N -0.390 119.478 119.914 -0.077 0.000 2.379 384 V HA -0.182 3.939 4.120 0.001 0.000 0.245 384 V C 2.230 178.278 176.094 -0.077 0.000 1.044 384 V CA 1.462 63.708 62.300 -0.091 0.000 1.036 384 V CB 0.076 31.829 31.823 -0.117 0.000 0.664 384 V HN 0.291 nan 8.190 nan 0.000 0.453 385 L N -0.322 120.860 121.223 -0.070 0.000 2.275 385 L HA -0.088 4.253 4.340 0.001 0.000 0.215 385 L C 2.449 179.289 176.870 -0.049 0.000 1.119 385 L CA 1.451 56.253 54.840 -0.064 0.000 0.790 385 L CB -0.366 41.656 42.059 -0.060 0.000 0.919 385 L HN 0.231 nan 8.230 nan 0.000 0.443 386 K N -0.990 119.387 120.400 -0.039 0.000 2.262 386 K HA 0.158 4.479 4.320 0.001 0.000 0.200 386 K C 1.466 178.052 176.600 -0.023 0.000 1.049 386 K CA 0.823 57.099 56.287 -0.018 0.000 0.979 386 K CB 0.440 32.938 32.500 -0.004 0.000 0.773 386 K HN 0.355 nan 8.250 nan 0.000 0.474 387 G N 1.618 110.393 108.800 -0.041 0.000 2.194 387 G HA2 -0.267 3.694 3.960 0.001 0.000 0.236 387 G HA3 -0.267 3.694 3.960 0.001 0.000 0.236 387 G C 0.684 175.558 174.900 -0.043 0.000 0.987 387 G CA 0.316 45.387 45.100 -0.048 0.000 0.635 387 G HN 0.368 nan 8.290 nan 0.000 0.520 388 E N 0.467 120.649 120.200 -0.031 0.000 2.268 388 E HA 0.289 4.639 4.350 0.001 0.000 0.195 388 E C 1.962 178.539 176.600 -0.039 0.000 0.995 388 E CA 0.769 57.154 56.400 -0.024 0.000 0.836 388 E CB 0.098 29.791 29.700 -0.010 0.000 0.763 388 E HN 0.785 nan 8.360 nan 0.000 0.491 389 A N 0.692 123.477 122.820 -0.058 0.000 3.179 389 A HA 0.281 4.602 4.320 0.001 0.000 0.213 389 A C 0.451 177.976 177.584 -0.098 0.000 1.752 389 A CA -0.185 51.804 52.037 -0.080 0.000 0.857 389 A CB 0.652 19.591 19.000 -0.101 0.000 1.798 389 A HN -0.024 nan 8.150 nan 0.000 0.606 390 D N -3.617 116.699 120.400 -0.140 0.000 1.924 390 D HA 0.445 5.086 4.640 0.001 0.000 0.371 390 D C -0.381 175.789 176.300 -0.216 0.000 1.086 390 D CA 1.254 55.164 54.000 -0.151 0.000 0.982 390 D CB 1.214 41.937 40.800 -0.128 0.000 1.872 390 D HN 1.176 nan 8.370 nan 0.000 0.543 391 A N -0.051 122.569 122.820 -0.333 0.000 2.597 391 A HA 0.496 4.817 4.320 0.001 0.000 0.302 391 A C -2.273 174.771 177.584 -0.899 0.000 0.942 391 A CA -0.692 51.064 52.037 -0.469 0.000 0.665 391 A CB 0.095 18.847 19.000 -0.414 0.000 1.293 391 A HN 0.319 nan 8.150 nan 0.000 0.415 392 L N -0.489 120.281 121.223 -0.755 0.000 2.469 392 L HA 0.804 5.145 4.340 0.001 0.000 0.256 392 L C -0.120 176.651 176.870 -0.164 0.000 1.006 392 L CA -1.034 53.319 54.840 -0.812 0.000 0.832 392 L CB 0.447 42.312 42.059 -0.323 0.000 1.421 392 L HN 0.832 nan 8.230 nan 0.000 0.410 393 N N 0.909 119.854 118.700 0.408 0.000 2.231 393 N HA 0.480 5.220 4.740 0.001 0.000 0.223 393 N C -1.049 174.572 175.510 0.185 0.000 1.329 393 N CA 0.254 53.575 53.050 0.452 0.000 0.889 393 N CB 0.445 39.303 38.487 0.618 0.000 1.125 393 N HN 0.842 nan 8.380 nan 0.000 0.447 394 L N 0.264 121.558 121.223 0.117 0.000 2.700 394 L HA 0.122 4.462 4.340 0.001 0.000 0.255 394 L C -1.075 175.599 176.870 -0.326 0.000 0.933 394 L CA -0.791 54.026 54.840 -0.038 0.000 0.920 394 L CB 1.690 43.733 42.059 -0.027 0.000 1.472 394 L HN 0.574 nan 8.230 nan 0.000 0.426 395 D N 1.404 121.508 120.400 -0.493 0.000 2.382 395 D HA 0.122 4.763 4.640 0.001 0.000 0.240 395 D C 0.970 177.128 176.300 -0.236 0.000 1.146 395 D CA 0.955 54.375 54.000 -0.968 0.000 0.897 395 D CB 2.113 42.827 40.800 -0.144 0.000 1.197 395 D HN 0.699 nan 8.370 nan 0.000 0.432 396 G N 1.977 110.809 108.800 0.053 0.000 2.422 396 G HA2 -0.158 3.803 3.960 0.001 0.000 0.218 396 G HA3 -0.158 3.803 3.960 0.001 0.000 0.218 396 G C 1.408 176.338 174.900 0.049 0.000 1.140 396 G CA 0.863 46.053 45.100 0.151 0.000 0.775 396 G HN 0.618 nan 8.290 nan 0.000 0.545 397 G N 0.571 109.395 108.800 0.040 0.000 2.547 397 G HA2 -0.252 3.709 3.960 0.001 0.000 0.221 397 G HA3 -0.252 3.709 3.960 0.001 0.000 0.221 397 G C 1.497 176.167 174.900 -0.384 0.000 1.140 397 G CA 1.008 45.985 45.100 -0.206 0.000 0.760 397 G HN 0.396 nan 8.290 nan 0.000 0.583 398 F N -0.246 119.677 119.950 -0.045 0.000 2.656 398 F HA 0.381 4.909 4.527 0.001 0.000 0.291 398 F C 2.373 178.151 175.800 -0.037 0.000 1.122 398 F CA -0.581 57.383 58.000 -0.059 0.000 1.427 398 F CB -0.086 38.872 39.000 -0.070 0.000 1.125 398 F HN 0.011 nan 8.300 nan 0.000 0.583 399 I N -0.375 120.255 120.570 0.101 0.000 2.181 399 I HA -0.440 3.731 4.170 0.001 0.000 0.247 399 I C 2.490 178.624 176.117 0.029 0.000 1.081 399 I CA 1.763 63.082 61.300 0.032 0.000 1.340 399 I CB -0.382 37.611 38.000 -0.011 0.000 1.036 399 I HN 0.233 nan 8.210 nan 0.000 0.417 400 Y N 0.780 121.001 120.300 -0.132 0.000 2.040 400 Y HA -0.388 4.163 4.550 0.001 0.000 0.275 400 Y C 2.467 178.174 175.900 -0.322 0.000 1.171 400 Y CA 2.320 60.295 58.100 -0.209 0.000 1.123 400 Y CB -0.482 37.859 38.460 -0.198 0.000 0.963 400 Y HN -0.086 nan 8.280 nan 0.000 0.493 401 V N 0.838 120.919 119.914 0.278 0.000 2.217 401 V HA -0.452 3.669 4.120 0.001 0.000 0.248 401 V C 2.728 178.790 176.094 -0.053 0.000 1.050 401 V CA 2.401 64.790 62.300 0.149 0.000 1.007 401 V CB -1.769 30.157 31.823 0.172 0.000 0.639 401 V HN 0.687 nan 8.190 nan 0.000 0.452 402 A N 0.212 123.013 122.820 -0.031 0.000 1.944 402 A HA -0.330 3.991 4.320 0.001 0.000 0.222 402 A C 2.380 179.870 177.584 -0.156 0.000 1.237 402 A CA 2.898 54.887 52.037 -0.081 0.000 0.668 402 A CB -1.627 17.336 19.000 -0.061 0.000 0.830 402 A HN 0.702 nan 8.150 nan 0.000 0.471 403 G N -0.881 107.768 108.800 -0.251 0.000 2.459 403 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 403 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 403 G C 1.540 176.172 174.900 -0.446 0.000 1.183 403 G CA 1.091 45.980 45.100 -0.352 0.000 0.776 403 G HN 0.463 nan 8.290 nan 0.000 0.552 404 K N -0.193 119.812 120.400 -0.658 0.000 2.360 404 K HA -0.045 4.275 4.320 0.001 0.000 0.201 404 K C 1.684 178.168 176.600 -0.193 0.000 1.046 404 K CA 0.493 56.521 56.287 -0.432 0.000 0.940 404 K CB -0.430 31.864 32.500 -0.345 0.000 0.748 404 K HN 0.351 nan 8.250 nan 0.000 0.465 405 c N 0.108 118.612 118.600 -0.160 0.000 2.688 405 c HA 0.279 4.850 4.570 0.001 0.000 0.297 405 c C 1.612 175.644 174.090 -0.097 0.000 1.308 405 c CA 0.111 56.378 56.329 -0.103 0.000 1.726 405 c CB -0.721 41.740 42.510 -0.082 0.000 1.982 405 c HN 0.707 nan 8.230 nan 0.000 0.604 406 G N 1.412 110.153 108.800 -0.098 0.000 2.527 406 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 406 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 406 G C 0.234 175.103 174.900 -0.052 0.000 1.177 406 G CA 0.069 45.130 45.100 -0.066 0.000 0.695 406 G HN 0.512 nan 8.290 nan 0.000 0.517 407 L N 1.443 122.626 121.223 -0.067 0.000 2.503 407 L HA 0.484 4.824 4.340 0.001 0.000 0.287 407 L C 1.102 177.948 176.870 -0.040 0.000 1.252 407 L CA -0.074 54.730 54.840 -0.061 0.000 0.835 407 L CB -0.074 41.938 42.059 -0.079 0.000 1.099 407 L HN 0.642 nan 8.230 nan 0.000 0.516 408 V N -2.475 117.420 119.914 -0.031 0.000 3.158 408 V HA 0.660 4.781 4.120 0.001 0.000 0.311 408 V C -2.619 173.459 176.094 -0.028 0.000 1.181 408 V CA -2.227 60.069 62.300 -0.006 0.000 1.054 408 V CB 1.537 33.370 31.823 0.017 0.000 1.085 408 V HN 0.658 nan 8.190 nan 0.000 0.446 409 P HA 0.388 nan 4.420 nan 0.000 0.279 409 P C -0.227 177.065 177.300 -0.014 0.000 1.239 409 P CA 0.025 63.090 63.100 -0.059 0.000 0.789 409 P CB 1.865 33.501 31.700 -0.107 0.000 0.933 410 V N 2.713 122.615 119.914 -0.019 0.000 6.292 410 V HA 0.221 4.342 4.120 0.001 0.000 0.171 410 V C 0.935 177.047 176.094 0.030 0.000 1.422 410 V CA -0.127 62.174 62.300 0.003 0.000 1.121 410 V CB -1.029 30.781 31.823 -0.022 0.000 2.044 410 V HN 0.330 nan 8.190 nan 0.000 0.328 411 L N 0.109 121.337 121.223 0.009 0.000 2.454 411 L HA 0.835 5.175 4.340 0.001 0.000 0.256 411 L C 0.068 176.993 176.870 0.092 0.000 1.136 411 L CA 0.090 54.959 54.840 0.049 0.000 0.804 411 L CB -0.135 41.893 42.059 -0.052 0.000 1.181 411 L HN 0.548 nan 8.230 nan 0.000 0.469 412 A N -0.140 122.777 122.820 0.161 0.000 2.468 412 A HA 0.786 5.107 4.320 0.001 0.000 0.277 412 A C -0.747 176.956 177.584 0.199 0.000 1.203 412 A CA -0.513 51.648 52.037 0.207 0.000 0.932 412 A CB 0.719 19.939 19.000 0.366 0.000 1.438 412 A HN 0.833 nan 8.150 nan 0.000 0.468 413 E N 0.350 120.693 120.200 0.238 0.000 2.179 413 E HA 0.531 4.881 4.350 0.001 0.000 0.275 413 E C -1.357 175.363 176.600 0.200 0.000 0.945 413 E CA -0.809 55.725 56.400 0.224 0.000 0.792 413 E CB 1.233 31.075 29.700 0.237 0.000 1.125 413 E HN 0.330 nan 8.360 nan 0.000 0.397 414 N N 3.153 121.951 118.700 0.163 0.000 2.518 414 N HA 0.040 4.781 4.740 0.001 0.000 0.254 414 N C -0.087 175.464 175.510 0.068 0.000 0.979 414 N CA -0.429 52.678 53.050 0.096 0.000 0.930 414 N CB 1.327 39.843 38.487 0.048 0.000 1.152 414 N HN 0.686 nan 8.380 nan 0.000 0.505 415 Q N 2.293 122.132 119.800 0.065 0.000 1.852 415 Q HA 0.032 4.373 4.340 0.001 0.000 0.760 415 Q C -0.585 175.412 176.000 -0.005 0.000 0.968 415 Q CA 0.509 56.333 55.803 0.035 0.000 0.775 415 Q CB -0.127 28.626 28.738 0.026 0.000 3.102 415 Q HN 0.483 nan 8.270 nan 0.000 0.243 416 K N -0.845 119.544 120.400 -0.017 0.000 2.670 416 K HA 0.446 4.766 4.320 0.001 0.000 0.274 416 K C -1.632 174.949 176.600 -0.032 0.000 1.068 416 K CA -0.164 56.103 56.287 -0.034 0.000 0.967 416 K CB 1.674 34.148 32.500 -0.045 0.000 1.297 416 K HN 0.246 nan 8.250 nan 0.000 0.477 417 S N 2.530 118.212 115.700 -0.031 0.000 2.438 417 S HA 0.144 4.615 4.470 0.001 0.000 0.293 417 S C -0.539 174.041 174.600 -0.032 0.000 1.141 417 S CA -0.543 57.639 58.200 -0.030 0.000 1.080 417 S CB 0.755 63.938 63.200 -0.028 0.000 0.978 417 S HN 0.527 nan 8.310 nan 0.000 0.479 418 Q N 3.598 123.380 119.800 -0.031 0.000 2.489 418 Q HA 0.294 4.635 4.340 0.001 0.000 0.231 418 Q C 0.216 176.199 176.000 -0.027 0.000 1.273 418 Q CA 0.286 56.071 55.803 -0.030 0.000 0.898 418 Q CB -0.046 28.675 28.738 -0.028 0.000 1.545 418 Q HN 0.631 nan 8.270 nan 0.000 0.538 419 N N -0.660 118.023 118.700 -0.028 0.000 2.868 419 N HA 0.073 4.814 4.740 0.001 0.000 0.185 419 N C -0.226 175.269 175.510 -0.025 0.000 1.654 419 N CA 0.181 53.216 53.050 -0.025 0.000 1.278 419 N CB 0.529 39.001 38.487 -0.024 0.000 0.898 419 N HN 0.313 nan 8.380 nan 0.000 0.692 420 S N 0.722 116.406 115.700 -0.026 0.000 2.506 420 S HA 0.297 4.768 4.470 0.001 0.000 0.245 420 S C 0.476 175.056 174.600 -0.034 0.000 1.088 420 S CA -0.644 57.540 58.200 -0.026 0.000 1.099 420 S CB -0.697 62.490 63.200 -0.022 0.000 0.805 420 S HN 0.260 nan 8.310 nan 0.000 0.461 421 N N 2.979 121.656 118.700 -0.037 0.000 1.763 421 N HA -0.326 4.415 4.740 0.001 0.000 0.135 421 N C 1.242 176.717 175.510 -0.057 0.000 0.598 421 N CA 2.017 55.040 53.050 -0.045 0.000 0.814 421 N CB -1.397 37.063 38.487 -0.044 0.000 0.800 421 N HN 0.829 nan 8.380 nan 0.000 1.264 422 A N 1.896 124.682 122.820 -0.057 0.000 2.657 422 A HA -0.126 4.195 4.320 0.001 0.000 0.224 422 A C -0.986 176.549 177.584 -0.081 0.000 1.315 422 A CA 0.381 52.379 52.037 -0.065 0.000 1.165 422 A CB -0.799 18.170 19.000 -0.052 0.000 1.042 422 A HN 0.391 nan 8.150 nan 0.000 0.504 423 P HA -0.338 nan 4.420 nan 0.000 0.231 423 P C 0.997 178.197 177.300 -0.167 0.000 1.139 423 P CA 2.103 65.132 63.100 -0.118 0.000 0.891 423 P CB -0.193 31.453 31.700 -0.091 0.000 0.723 424 D N -0.862 119.450 120.400 -0.146 0.000 2.355 424 D HA -0.294 4.347 4.640 0.001 0.000 0.192 424 D C 1.989 178.081 176.300 -0.346 0.000 1.014 424 D CA 2.339 56.221 54.000 -0.197 0.000 0.862 424 D CB -1.127 39.615 40.800 -0.097 0.000 0.986 424 D HN 0.342 nan 8.370 nan 0.000 0.456 425 c N 0.140 118.616 118.600 -0.206 0.000 2.353 425 c HA -0.343 4.228 4.570 0.001 0.000 0.249 425 c C 2.746 176.710 174.090 -0.210 0.000 1.038 425 c CA 2.519 58.750 56.329 -0.164 0.000 1.890 425 c CB -1.675 40.768 42.510 -0.112 0.000 2.158 425 c HN 0.348 nan 8.230 nan 0.000 0.424 426 V N 1.596 121.334 119.914 -0.293 0.000 2.313 426 V HA -0.371 3.749 4.120 0.001 0.000 0.261 426 V C 2.295 178.315 176.094 -0.123 0.000 1.096 426 V CA 3.172 65.338 62.300 -0.223 0.000 1.090 426 V CB -1.348 30.297 31.823 -0.296 0.000 0.683 426 V HN 0.975 nan 8.190 nan 0.000 0.452 427 H N -2.360 116.718 119.070 0.013 0.000 3.017 427 H HA 0.310 4.866 4.556 0.001 0.000 0.255 427 H C 1.364 176.708 175.328 0.026 0.000 0.990 427 H CA -0.500 55.562 56.048 0.023 0.000 1.205 427 H CB -0.051 29.710 29.762 -0.002 0.000 1.460 427 H HN 0.165 nan 8.280 nan 0.000 0.478 428 R N 3.385 123.872 120.500 -0.022 0.000 2.549 428 R HA -0.007 4.334 4.340 0.001 0.000 0.336 428 R C -2.393 173.925 176.300 0.031 0.000 0.891 428 R CA -1.182 54.923 56.100 0.009 0.000 1.102 428 R CB -0.201 30.074 30.300 -0.041 0.000 0.899 428 R HN 0.148 nan 8.270 nan 0.000 0.407 429 P HA -0.030 nan 4.420 nan 0.000 0.261 429 P C -2.398 174.915 177.300 0.021 0.000 1.165 429 P CA -0.580 62.539 63.100 0.031 0.000 0.759 429 P CB 0.061 31.770 31.700 0.014 0.000 0.772 430 P HA 0.079 nan 4.420 nan 0.000 0.280 430 P C 0.676 177.977 177.300 0.002 0.000 1.244 430 P CA -0.101 63.023 63.100 0.040 0.000 0.784 430 P CB 0.838 32.594 31.700 0.095 0.000 0.913 431 E N 2.406 122.607 120.200 0.002 0.000 2.024 431 E HA 0.251 4.601 4.350 0.001 0.000 0.190 431 E C 0.542 177.120 176.600 -0.038 0.000 0.974 431 E CA 0.257 56.641 56.400 -0.027 0.000 0.810 431 E CB -0.520 29.162 29.700 -0.030 0.000 0.775 431 E HN 0.575 nan 8.360 nan 0.000 0.453 432 G N 1.010 109.806 108.800 -0.006 0.000 2.627 432 G HA2 0.005 3.966 3.960 0.001 0.000 0.680 432 G HA3 0.005 3.966 3.960 0.001 0.000 0.680 432 G C -0.766 174.111 174.900 -0.039 0.000 1.341 432 G CA -0.542 44.537 45.100 -0.035 0.000 0.835 432 G HN 0.350 nan 8.290 nan 0.000 0.643 433 Y N -0.255 120.038 120.300 -0.010 0.000 2.299 433 Y HA 0.792 5.343 4.550 0.001 0.000 0.335 433 Y C 0.493 176.366 175.900 -0.045 0.000 1.287 433 Y CA -1.332 56.736 58.100 -0.052 0.000 1.424 433 Y CB 0.691 39.097 38.460 -0.090 0.000 1.326 433 Y HN 0.508 nan 8.280 nan 0.000 0.567 434 L N 2.304 123.583 121.223 0.093 0.000 2.325 434 L HA 0.705 5.045 4.340 0.001 0.000 0.278 434 L C -0.065 176.862 176.870 0.095 0.000 1.023 434 L CA -1.309 53.554 54.840 0.039 0.000 0.811 434 L CB 1.742 43.808 42.059 0.012 0.000 1.249 434 L HN 0.923 nan 8.230 nan 0.000 0.431 435 A N 3.147 126.000 122.820 0.054 0.000 2.362 435 A HA 0.698 5.019 4.320 0.001 0.000 0.276 435 A C -0.314 177.287 177.584 0.028 0.000 1.153 435 A CA -0.323 51.742 52.037 0.048 0.000 0.813 435 A CB 0.308 19.291 19.000 -0.027 0.000 1.081 435 A HN 0.563 nan 8.150 nan 0.000 0.507 436 V N -1.466 118.478 119.914 0.050 0.000 3.202 436 V HA 0.954 5.074 4.120 0.001 0.000 0.306 436 V C -0.156 175.991 176.094 0.088 0.000 1.283 436 V CA -0.583 61.736 62.300 0.031 0.000 1.065 436 V CB 1.268 33.103 31.823 0.019 0.000 1.079 436 V HN 1.702 nan 8.190 nan 0.000 0.448 437 A N 0.958 123.816 122.820 0.062 0.000 2.343 437 A HA 0.931 5.252 4.320 0.001 0.000 0.316 437 A C -0.606 177.001 177.584 0.039 0.000 1.104 437 A CA -0.502 51.571 52.037 0.060 0.000 0.768 437 A CB 1.587 20.647 19.000 0.100 0.000 1.213 437 A HN 2.029 nan 8.150 nan 0.000 0.456 438 V N 1.742 121.673 119.914 0.029 0.000 2.555 438 V HA 0.830 4.950 4.120 0.001 0.000 0.302 438 V C 0.390 176.566 176.094 0.137 0.000 1.038 438 V CA -0.320 62.055 62.300 0.125 0.000 0.887 438 V CB 0.487 32.434 31.823 0.206 0.000 0.991 438 V HN 1.172 nan 8.190 nan 0.000 0.434 439 V N 2.412 122.440 119.914 0.189 0.000 6.652 439 V HA 0.789 4.910 4.120 0.001 0.000 0.274 439 V C -0.050 176.216 176.094 0.286 0.000 1.662 439 V CA -0.933 61.464 62.300 0.161 0.000 0.592 439 V CB 0.909 32.774 31.823 0.070 0.000 1.533 439 V HN 0.878 nan 8.190 nan 0.000 0.374 440 R N -1.193 119.374 120.500 0.110 0.000 2.855 440 R HA 0.579 4.920 4.340 0.001 0.000 0.266 440 R C 0.279 176.506 176.300 -0.122 0.000 1.034 440 R CA -0.637 55.423 56.100 -0.067 0.000 0.944 440 R CB 1.355 31.603 30.300 -0.086 0.000 1.219 440 R HN 0.558 nan 8.270 nan 0.000 0.474 441 K N 0.118 120.373 120.400 -0.242 0.000 2.296 441 K HA 0.045 4.366 4.320 0.001 0.000 0.200 441 K C 1.369 177.903 176.600 -0.111 0.000 1.048 441 K CA 0.963 57.154 56.287 -0.161 0.000 0.966 441 K CB 0.136 32.517 32.500 -0.198 0.000 0.754 441 K HN 0.474 nan 8.250 nan 0.000 0.466 442 S N 0.843 116.472 115.700 -0.118 0.000 2.211 442 S HA -0.099 4.372 4.470 0.001 0.000 0.158 442 S C -0.500 174.072 174.600 -0.048 0.000 1.361 442 S CA 0.574 58.728 58.200 -0.075 0.000 2.285 442 S CB -0.446 62.711 63.200 -0.071 0.000 0.432 442 S HN 0.323 nan 8.310 nan 0.000 0.351 443 D N 1.686 122.066 120.400 -0.035 0.000 3.033 443 D HA 0.178 4.819 4.640 0.001 0.000 0.279 443 D C 0.106 176.396 176.300 -0.017 0.000 1.500 443 D CA 0.735 54.721 54.000 -0.022 0.000 1.355 443 D CB -0.312 40.477 40.800 -0.017 0.000 1.182 443 D HN 0.484 nan 8.370 nan 0.000 0.593 444 A N 1.847 124.657 122.820 -0.016 0.000 2.415 444 A HA 0.089 4.409 4.320 0.001 0.000 0.248 444 A C 0.483 178.065 177.584 -0.003 0.000 1.299 444 A CA -0.444 51.588 52.037 -0.008 0.000 0.899 444 A CB 0.261 19.255 19.000 -0.010 0.000 0.997 444 A HN 0.183 nan 8.150 nan 0.000 0.506 445 D N 0.070 120.465 120.400 -0.008 0.000 2.889 445 D HA 0.451 5.091 4.640 0.001 0.000 0.243 445 D C -0.770 175.523 176.300 -0.011 0.000 1.270 445 D CA 0.487 54.482 54.000 -0.008 0.000 0.838 445 D CB 0.121 40.915 40.800 -0.011 0.000 1.040 445 D HN 0.272 nan 8.370 nan 0.000 0.480 446 L N -0.253 120.967 121.223 -0.004 0.000 2.505 446 L HA 0.447 4.787 4.340 0.001 0.000 0.266 446 L C -0.388 176.498 176.870 0.026 0.000 0.954 446 L CA -0.296 54.540 54.840 -0.006 0.000 0.852 446 L CB 2.516 44.560 42.059 -0.024 0.000 1.282 446 L HN -0.112 nan 8.230 nan 0.000 0.403 447 T N 0.720 115.296 114.554 0.036 0.000 2.887 447 T HA 0.183 4.533 4.350 0.001 0.000 0.292 447 T C 0.175 174.952 174.700 0.129 0.000 1.087 447 T CA -0.391 61.765 62.100 0.093 0.000 1.009 447 T CB 1.130 70.048 68.868 0.083 0.000 1.203 447 T HN 0.675 nan 8.240 nan 0.000 0.518 448 W N 1.970 123.283 121.300 0.020 0.000 2.632 448 W HA -0.083 4.578 4.660 0.001 0.000 0.248 448 W C 0.436 176.989 176.519 0.057 0.000 1.259 448 W CA 0.985 58.354 57.345 0.040 0.000 1.288 448 W CB -0.003 29.482 29.460 0.040 0.000 1.136 448 W HN 0.696 nan 8.180 nan 0.000 0.640 449 N N -1.246 117.442 118.700 -0.020 0.000 2.463 449 N HA -0.100 4.641 4.740 0.001 0.000 0.183 449 N C 1.750 177.221 175.510 -0.065 0.000 1.064 449 N CA 0.877 53.888 53.050 -0.064 0.000 0.879 449 N CB -0.500 38.004 38.487 0.027 0.000 1.148 449 N HN -0.189 nan 8.380 nan 0.000 0.451 450 S N 0.599 116.275 115.700 -0.039 0.000 2.453 450 S HA -0.008 4.463 4.470 0.001 0.000 0.231 450 S C 1.582 176.132 174.600 -0.084 0.000 1.005 450 S CA 0.487 58.663 58.200 -0.040 0.000 0.949 450 S CB -0.329 62.860 63.200 -0.019 0.000 0.774 450 S HN 0.236 nan 8.310 nan 0.000 0.510 451 L N 1.855 122.991 121.223 -0.145 0.000 2.125 451 L HA -0.165 4.176 4.340 0.001 0.000 0.234 451 L C 1.419 178.132 176.870 -0.261 0.000 1.110 451 L CA 1.480 56.172 54.840 -0.245 0.000 0.832 451 L CB -2.526 39.325 42.059 -0.347 0.000 0.922 451 L HN 0.312 nan 8.230 nan 0.000 0.449 452 S N 0.994 116.627 115.700 -0.113 0.000 4.039 452 S HA 0.091 4.562 4.470 0.001 0.000 0.484 452 S C 1.344 175.898 174.600 -0.077 0.000 1.094 452 S CA 0.513 58.721 58.200 0.015 0.000 0.867 452 S CB -0.902 62.356 63.200 0.097 0.000 0.695 452 S HN 1.684 nan 8.310 nan 0.000 0.468 453 G N 4.680 113.474 108.800 -0.010 0.000 2.416 453 G HA2 -0.299 3.661 3.960 0.001 0.000 0.301 453 G HA3 -0.299 3.661 3.960 0.001 0.000 0.301 453 G C 0.780 175.598 174.900 -0.137 0.000 0.985 453 G CA 0.900 45.991 45.100 -0.015 0.000 0.934 453 G HN 0.738 nan 8.290 nan 0.000 0.513 454 K N -0.215 119.991 120.400 -0.322 0.000 2.613 454 K HA 0.248 4.569 4.320 0.001 0.000 0.186 454 K C 0.813 177.324 176.600 -0.148 0.000 1.126 454 K CA 0.405 56.560 56.287 -0.219 0.000 1.230 454 K CB -0.014 32.324 32.500 -0.271 0.000 1.713 454 K HN 0.217 nan 8.250 nan 0.000 0.491 455 K N 1.367 121.683 120.400 -0.142 0.000 2.687 455 K HA 0.194 4.515 4.320 0.001 0.000 0.197 455 K C -1.368 175.215 176.600 -0.028 0.000 1.049 455 K CA -0.065 56.202 56.287 -0.034 0.000 1.030 455 K CB 1.068 33.574 32.500 0.010 0.000 1.261 455 K HN 0.299 nan 8.250 nan 0.000 0.565 456 S N 0.985 116.699 115.700 0.024 0.000 2.515 456 S HA 0.059 4.530 4.470 0.001 0.000 0.285 456 S C 0.168 174.943 174.600 0.291 0.000 1.265 456 S CA -0.622 57.681 58.200 0.171 0.000 1.079 456 S CB 0.006 63.572 63.200 0.608 0.000 0.877 456 S HN 0.417 nan 8.310 nan 0.000 0.493 457 c N 4.255 122.925 118.600 0.117 0.000 2.251 457 c HA 0.494 5.065 4.570 0.001 0.000 0.323 457 c C 0.258 174.474 174.090 0.209 0.000 1.241 457 c CA -0.664 55.766 56.329 0.167 0.000 1.601 457 c CB -1.194 41.338 42.510 0.037 0.000 2.251 457 c HN 0.869 nan 8.230 nan 0.000 0.488 458 H N 0.354 119.621 119.070 0.328 0.000 2.495 458 H HA 0.345 4.901 4.556 0.001 0.000 0.348 458 H C 1.440 176.918 175.328 0.249 0.000 1.113 458 H CA 0.013 56.294 56.048 0.388 0.000 1.195 458 H CB 1.532 31.586 29.762 0.487 0.000 1.521 458 H HN 0.661 nan 8.280 nan 0.000 0.509 459 T N -0.117 114.600 114.554 0.272 0.000 2.821 459 T HA 0.212 4.563 4.350 0.001 0.000 0.267 459 T C 0.971 175.698 174.700 0.045 0.000 1.046 459 T CA 0.681 62.801 62.100 0.034 0.000 1.139 459 T CB 0.005 68.804 68.868 -0.114 0.000 0.871 459 T HN 0.753 nan 8.240 nan 0.000 0.454 460 G N 0.412 109.359 108.800 0.245 0.000 2.377 460 G HA2 0.423 4.384 3.960 0.001 0.000 0.297 460 G HA3 0.423 4.384 3.960 0.001 0.000 0.297 460 G C -0.880 174.095 174.900 0.125 0.000 1.547 460 G CA -0.532 44.745 45.100 0.295 0.000 0.833 460 G HN 0.862 nan 8.290 nan 0.000 0.583 461 V N -0.300 119.494 119.914 -0.199 0.000 2.740 461 V HA 0.608 4.728 4.120 0.001 0.000 0.303 461 V C 1.395 176.957 176.094 -0.886 0.000 1.054 461 V CA 0.621 62.257 62.300 -1.107 0.000 1.106 461 V CB 0.860 32.040 31.823 -1.072 0.000 0.957 461 V HN 2.777 nan 8.190 nan 0.000 0.486 462 G N 3.466 111.360 108.800 -1.511 0.000 2.352 462 G HA2 -0.249 3.711 3.960 0.001 0.000 0.283 462 G HA3 -0.249 3.711 3.960 0.001 0.000 0.283 462 G C 0.050 174.542 174.900 -0.679 0.000 0.946 462 G CA 0.750 45.383 45.100 -0.780 0.000 1.317 462 G HN 1.115 nan 8.290 nan 0.000 0.478 463 R N -0.441 119.920 120.500 -0.231 0.000 2.668 463 R HA 0.470 4.811 4.340 0.001 0.000 0.272 463 R C 1.488 177.882 176.300 0.156 0.000 1.019 463 R CA -0.276 55.768 56.100 -0.093 0.000 0.894 463 R CB 0.994 31.323 30.300 0.049 0.000 1.228 463 R HN 0.180 nan 8.270 nan 0.000 0.460 464 T N 1.159 115.874 114.554 0.268 0.000 2.622 464 T HA -0.236 4.115 4.350 0.001 0.000 0.266 464 T C 1.852 176.783 174.700 0.386 0.000 1.047 464 T CA 1.874 64.225 62.100 0.419 0.000 1.159 464 T CB -0.294 68.920 68.868 0.576 0.000 0.863 464 T HN 0.753 nan 8.240 nan 0.000 0.422 465 A N 1.776 124.877 122.820 0.469 0.000 1.883 465 A HA -0.143 4.178 4.320 0.001 0.000 0.232 465 A C 2.133 179.911 177.584 0.324 0.000 1.671 465 A CA 3.175 55.481 52.037 0.448 0.000 0.748 465 A CB -1.347 17.750 19.000 0.163 0.000 0.850 465 A HN 0.718 nan 8.150 nan 0.000 0.488 466 A N -4.542 118.422 122.820 0.239 0.000 2.385 466 A HA 0.405 4.726 4.320 0.001 0.000 0.209 466 A C 1.449 179.085 177.584 0.087 0.000 2.123 466 A CA 0.714 52.845 52.037 0.156 0.000 1.674 466 A CB -1.327 17.808 19.000 0.225 0.000 1.212 466 A HN 1.067 nan 8.150 nan 0.000 0.422 467 W N 1.273 122.566 121.300 -0.013 0.000 2.285 467 W HA -0.415 4.246 4.660 0.001 0.000 0.361 467 W C 1.736 178.164 176.519 -0.153 0.000 1.651 467 W CA 3.264 60.614 57.345 0.008 0.000 1.687 467 W CB -1.203 28.303 29.460 0.077 0.000 0.965 467 W HN 0.563 nan 8.180 nan 0.000 0.471 468 N N 0.353 119.274 118.700 0.369 0.000 2.020 468 N HA -0.259 4.482 4.740 0.001 0.000 0.200 468 N C 1.623 177.143 175.510 0.017 0.000 1.054 468 N CA 2.952 56.139 53.050 0.229 0.000 0.874 468 N CB -1.194 37.456 38.487 0.270 0.000 1.075 468 N HN 0.183 nan 8.380 nan 0.000 0.446 469 I N 1.711 122.264 120.570 -0.029 0.000 2.052 469 I HA -0.231 3.939 4.170 0.001 0.000 0.235 469 I C -0.610 175.403 176.117 -0.174 0.000 1.046 469 I CA 1.719 62.949 61.300 -0.117 0.000 1.308 469 I CB -2.872 35.031 38.000 -0.161 0.000 1.031 469 I HN 0.163 nan 8.210 nan 0.000 0.395 470 P HA -0.199 nan 4.420 nan 0.000 0.214 470 P C 2.042 179.160 177.300 -0.302 0.000 1.169 470 P CA 1.776 64.703 63.100 -0.287 0.000 0.908 470 P CB -0.265 30.945 31.700 -0.818 0.000 0.791 471 M N -0.816 118.447 119.600 -0.561 0.000 2.144 471 M HA -0.106 4.375 4.480 0.001 0.000 0.260 471 M C 2.346 178.416 176.300 -0.384 0.000 1.067 471 M CA 2.096 56.905 55.300 -0.818 0.000 1.095 471 M CB -2.338 29.572 32.600 -1.150 0.000 1.365 471 M HN 0.031 nan 8.290 nan 0.000 0.406 472 G N 0.248 108.955 108.800 -0.155 0.000 2.459 472 G HA2 -0.182 3.779 3.960 0.001 0.000 0.217 472 G HA3 -0.182 3.779 3.960 0.001 0.000 0.217 472 G C 1.641 176.605 174.900 0.108 0.000 1.183 472 G CA 0.738 45.860 45.100 0.037 0.000 0.776 472 G HN 0.457 nan 8.290 nan 0.000 0.552 473 L N 0.042 121.300 121.223 0.058 0.000 2.043 473 L HA -0.087 4.254 4.340 0.001 0.000 0.212 473 L C 2.825 179.812 176.870 0.195 0.000 1.075 473 L CA 0.669 55.597 54.840 0.146 0.000 0.752 473 L CB -0.526 41.649 42.059 0.192 0.000 0.891 473 L HN 0.152 nan 8.230 nan 0.000 0.432 474 L N -1.632 119.649 121.223 0.096 0.000 2.353 474 L HA -0.192 4.149 4.340 0.001 0.000 0.220 474 L C 2.185 179.261 176.870 0.343 0.000 1.133 474 L CA 1.060 55.957 54.840 0.095 0.000 0.798 474 L CB -0.298 41.600 42.059 -0.268 0.000 0.922 474 L HN 0.188 nan 8.230 nan 0.000 0.445 475 F N -0.715 119.399 119.950 0.274 0.000 2.714 475 F HA 0.049 4.576 4.527 0.001 0.000 0.294 475 F C 1.974 177.882 175.800 0.181 0.000 1.120 475 F CA 0.301 58.480 58.000 0.297 0.000 1.398 475 F CB 0.238 39.438 39.000 0.333 0.000 1.120 475 F HN 0.014 nan 8.300 nan 0.000 0.589 476 N N -0.856 118.047 118.700 0.338 0.000 2.405 476 N HA -0.051 4.690 4.740 0.001 0.000 0.175 476 N C 1.718 177.330 175.510 0.172 0.000 1.051 476 N CA 0.416 53.610 53.050 0.240 0.000 0.899 476 N CB 0.176 38.775 38.487 0.186 0.000 1.000 476 N HN 0.166 nan 8.380 nan 0.000 0.451 477 Q N -0.756 119.151 119.800 0.178 0.000 2.163 477 Q HA 0.073 4.414 4.340 0.001 0.000 0.198 477 Q C -0.158 175.903 176.000 0.102 0.000 0.954 477 Q CA 0.950 56.846 55.803 0.156 0.000 0.851 477 Q CB 0.514 29.365 28.738 0.189 0.000 0.928 477 Q HN 0.341 nan 8.270 nan 0.000 0.459 478 T N -2.992 111.602 114.554 0.068 0.000 2.933 478 T HA 0.488 4.839 4.350 0.001 0.000 0.305 478 T C 0.378 174.883 174.700 -0.325 0.000 1.092 478 T CA -0.602 61.460 62.100 -0.063 0.000 1.008 478 T CB 1.765 70.618 68.868 -0.025 0.000 1.102 478 T HN 0.090 nan 8.240 nan 0.000 0.469 479 G N 0.577 109.169 108.800 -0.347 0.000 3.424 479 G HA2 0.369 4.330 3.960 0.001 0.000 0.263 479 G HA3 0.369 4.330 3.960 0.001 0.000 0.263 479 G C 0.177 174.658 174.900 -0.699 0.000 1.310 479 G CA -0.324 44.460 45.100 -0.527 0.000 1.089 479 G HN 0.734 nan 8.290 nan 0.000 0.534 480 S N -1.291 113.930 115.700 -0.799 0.000 2.472 480 S HA 0.319 4.789 4.470 0.001 0.000 0.303 480 S C 1.180 175.371 174.600 -0.682 0.000 1.099 480 S CA -0.675 57.167 58.200 -0.597 0.000 1.077 480 S CB 1.089 63.998 63.200 -0.486 0.000 1.031 480 S HN 0.167 nan 8.310 nan 0.000 0.487 481 c N 3.433 121.819 118.600 -0.356 0.000 2.486 481 c HA 0.199 4.770 4.570 0.001 0.000 0.279 481 c C 1.484 175.122 174.090 -0.752 0.000 1.302 481 c CA 0.186 56.313 56.329 -0.337 0.000 1.720 481 c CB -0.861 41.630 42.510 -0.033 0.000 2.030 481 c HN 0.774 nan 8.230 nan 0.000 0.490 482 K N 1.661 121.808 120.400 -0.421 0.000 2.036 482 K HA -0.055 4.266 4.320 0.001 0.000 0.246 482 K C -0.145 176.361 176.600 -0.157 0.000 1.148 482 K CA 0.164 56.295 56.287 -0.260 0.000 1.200 482 K CB -0.227 32.170 32.500 -0.172 0.000 0.964 482 K HN 0.409 nan 8.250 nan 0.000 0.364 483 F N 0.714 120.738 119.950 0.123 0.000 2.789 483 F HA -0.071 4.457 4.527 0.001 0.000 0.300 483 F C 1.937 177.780 175.800 0.072 0.000 1.132 483 F CA 0.031 58.102 58.000 0.117 0.000 1.404 483 F CB -0.166 38.786 39.000 -0.081 0.000 1.114 483 F HN 0.574 nan 8.300 nan 0.000 0.584 484 D N 0.903 121.438 120.400 0.224 0.000 2.077 484 D HA -0.178 4.463 4.640 0.001 0.000 0.193 484 D C 1.971 178.379 176.300 0.181 0.000 0.989 484 D CA 1.330 55.440 54.000 0.183 0.000 0.831 484 D CB 0.153 41.031 40.800 0.130 0.000 0.979 484 D HN 0.209 nan 8.370 nan 0.000 0.449 485 K N -0.739 119.745 120.400 0.140 0.000 2.155 485 K HA -0.104 4.216 4.320 0.001 0.000 0.203 485 K C 2.155 178.894 176.600 0.232 0.000 1.052 485 K CA 0.120 56.489 56.287 0.135 0.000 0.948 485 K CB -0.262 32.270 32.500 0.054 0.000 0.728 485 K HN 0.083 nan 8.250 nan 0.000 0.448 486 F N 0.819 120.804 119.950 0.058 0.000 2.101 486 F HA -0.246 4.282 4.527 0.001 0.000 0.298 486 F C 0.505 176.489 175.800 0.306 0.000 1.076 486 F CA 1.411 59.442 58.000 0.052 0.000 1.248 486 F CB -0.019 38.917 39.000 -0.106 0.000 0.999 486 F HN -0.137 nan 8.300 nan 0.000 0.488 487 F N -0.665 119.442 119.950 0.261 0.000 2.536 487 F HA 0.222 4.750 4.527 0.001 0.000 0.322 487 F C 1.250 177.124 175.800 0.123 0.000 1.144 487 F CA -1.202 56.881 58.000 0.138 0.000 0.924 487 F CB 0.948 40.003 39.000 0.091 0.000 1.181 487 F HN -0.197 nan 8.300 nan 0.000 0.438 488 S N 2.440 118.293 115.700 0.254 0.000 2.372 488 S HA -0.156 4.314 4.470 0.001 0.000 0.227 488 S C 0.416 175.100 174.600 0.140 0.000 1.044 488 S CA 1.291 59.585 58.200 0.157 0.000 1.050 488 S CB -0.067 63.188 63.200 0.091 0.000 0.901 488 S HN 0.689 nan 8.310 nan 0.000 0.447 489 Q N -0.273 119.609 119.800 0.135 0.000 2.309 489 Q HA 0.618 4.959 4.340 0.001 0.000 0.273 489 Q C -1.173 174.926 176.000 0.165 0.000 1.040 489 Q CA -0.288 55.592 55.803 0.129 0.000 0.834 489 Q CB 2.366 31.158 28.738 0.089 0.000 1.345 489 Q HN 0.476 nan 8.270 nan 0.000 0.414 490 S N 0.624 116.441 115.700 0.196 0.000 2.714 490 S HA 0.548 5.019 4.470 0.001 0.000 0.280 490 S C -2.075 172.686 174.600 0.269 0.000 1.200 490 S CA -0.444 57.913 58.200 0.262 0.000 0.900 490 S CB 1.546 64.954 63.200 0.345 0.000 1.235 490 S HN 0.753 nan 8.310 nan 0.000 0.512 491 c N 2.183 120.990 118.600 0.345 0.000 2.892 491 c HA 0.841 5.412 4.570 0.001 0.000 0.360 491 c C -0.532 173.786 174.090 0.380 0.000 1.054 491 c CA 0.448 56.980 56.329 0.338 0.000 1.326 491 c CB -0.250 42.519 42.510 0.431 0.000 1.806 491 c HN 1.258 nan 8.230 nan 0.000 0.490 492 A N 7.503 130.513 122.820 0.317 0.000 2.978 492 A HA 0.690 5.011 4.320 0.001 0.000 0.341 492 A C -2.663 175.051 177.584 0.216 0.000 1.105 492 A CA -1.090 51.150 52.037 0.339 0.000 0.819 492 A CB 0.175 19.409 19.000 0.389 0.000 1.080 492 A HN 0.659 nan 8.150 nan 0.000 0.476 493 P HA 0.089 nan 4.420 nan 0.000 0.267 493 P C 1.237 178.565 177.300 0.046 0.000 1.175 493 P CA 2.491 65.680 63.100 0.149 0.000 0.763 493 P CB 0.496 32.343 31.700 0.245 0.000 0.795 494 G N -0.011 108.779 108.800 -0.017 0.000 2.175 494 G HA2 -0.051 3.909 3.960 0.001 0.000 0.244 494 G HA3 -0.051 3.909 3.960 0.001 0.000 0.244 494 G C 0.275 175.143 174.900 -0.054 0.000 0.982 494 G CA 0.057 45.123 45.100 -0.056 0.000 0.641 494 G HN 0.872 nan 8.290 nan 0.000 0.527 495 A N -0.332 122.482 122.820 -0.011 0.000 2.288 495 A HA 0.694 5.015 4.320 0.001 0.000 0.328 495 A C 0.094 177.702 177.584 0.040 0.000 1.123 495 A CA 0.371 52.424 52.037 0.027 0.000 0.861 495 A CB 0.773 19.829 19.000 0.094 0.000 1.272 495 A HN 0.726 nan 8.150 nan 0.000 0.490 496 D N 0.429 120.861 120.400 0.053 0.000 2.520 496 D HA 0.108 4.748 4.640 0.001 0.000 0.243 496 D C -1.646 174.681 176.300 0.046 0.000 1.160 496 D CA -0.850 53.176 54.000 0.044 0.000 0.877 496 D CB 0.673 41.504 40.800 0.051 0.000 1.150 496 D HN 0.086 nan 8.370 nan 0.000 0.494 497 P HA -0.141 nan 4.420 nan 0.000 0.222 497 P C -0.117 177.202 177.300 0.032 0.000 1.142 497 P CA 1.106 64.222 63.100 0.026 0.000 0.788 497 P CB 0.205 31.912 31.700 0.011 0.000 0.767 498 Q N -0.240 119.582 119.800 0.036 0.000 2.943 498 Q HA 0.304 4.645 4.340 0.001 0.000 0.327 498 Q C -0.741 175.291 176.000 0.053 0.000 0.937 498 Q CA -0.296 55.530 55.803 0.039 0.000 0.914 498 Q CB 0.612 29.367 28.738 0.028 0.000 1.339 498 Q HN 0.087 nan 8.270 nan 0.000 0.417 499 S N -2.109 113.633 115.700 0.070 0.000 2.546 499 S HA 0.351 4.822 4.470 0.001 0.000 0.274 499 S C 0.756 175.421 174.600 0.109 0.000 1.121 499 S CA -0.624 57.630 58.200 0.090 0.000 0.887 499 S CB 1.856 65.118 63.200 0.103 0.000 1.094 499 S HN 0.238 nan 8.310 nan 0.000 0.474 500 S N 2.035 117.806 115.700 0.119 0.000 2.374 500 S HA -0.137 4.333 4.470 0.001 0.000 0.227 500 S C 1.763 176.464 174.600 0.170 0.000 1.037 500 S CA 1.646 59.930 58.200 0.139 0.000 1.024 500 S CB -0.937 62.356 63.200 0.155 0.000 0.861 500 S HN 0.662 nan 8.310 nan 0.000 0.456 501 L N 0.444 121.776 121.223 0.181 0.000 1.970 501 L HA -0.171 4.169 4.340 0.001 0.000 0.212 501 L C 2.864 179.856 176.870 0.204 0.000 1.071 501 L CA 1.369 56.330 54.840 0.202 0.000 0.751 501 L CB -0.755 41.453 42.059 0.247 0.000 0.889 501 L HN 0.424 nan 8.230 nan 0.000 0.432 502 c N -0.963 117.742 118.600 0.174 0.000 2.466 502 c HA 0.032 4.602 4.570 0.001 0.000 0.278 502 c C 2.686 176.861 174.090 0.142 0.000 1.288 502 c CA 0.063 56.486 56.329 0.157 0.000 1.722 502 c CB -0.934 41.643 42.510 0.112 0.000 2.017 502 c HN 0.645 nan 8.230 nan 0.000 0.488 503 A N 0.619 123.510 122.820 0.118 0.000 2.731 503 A HA -0.380 3.941 4.320 0.001 0.000 0.296 503 A C 1.525 179.157 177.584 0.079 0.000 1.475 503 A CA 2.305 54.399 52.037 0.094 0.000 1.120 503 A CB -1.744 17.320 19.000 0.107 0.000 0.542 503 A HN 0.618 nan 8.150 nan 0.000 0.407 504 L N -0.055 121.224 121.223 0.092 0.000 3.056 504 L HA -0.238 4.103 4.340 0.001 0.000 0.253 504 L C 1.350 178.207 176.870 -0.023 0.000 1.210 504 L CA 0.462 55.338 54.840 0.060 0.000 0.845 504 L CB -1.387 40.748 42.059 0.126 0.000 1.068 504 L HN 0.633 nan 8.230 nan 0.000 0.470 505 c N -1.939 116.651 118.600 -0.018 0.000 2.724 505 c HA 0.138 4.708 4.570 0.001 0.000 0.270 505 c C 1.682 175.579 174.090 -0.322 0.000 2.271 505 c CA -0.158 56.099 56.329 -0.121 0.000 1.857 505 c CB 0.985 43.512 42.510 0.027 0.000 1.917 505 c HN 0.286 nan 8.230 nan 0.000 0.551 506 V N -0.394 119.365 119.914 -0.258 0.000 4.500 506 V HA 0.326 4.446 4.120 0.001 0.000 0.499 506 V C 0.733 176.752 176.094 -0.125 0.000 1.864 506 V CA 1.439 63.593 62.300 -0.243 0.000 2.141 506 V CB -0.620 30.951 31.823 -0.419 0.000 1.043 506 V HN 1.532 nan 8.190 nan 0.000 0.481 507 G N 1.954 110.712 108.800 -0.070 0.000 2.564 507 G HA2 -0.370 3.590 3.960 0.001 0.000 0.309 507 G HA3 -0.370 3.590 3.960 0.001 0.000 0.309 507 G C 0.044 174.924 174.900 -0.032 0.000 1.320 507 G CA 0.986 46.064 45.100 -0.037 0.000 0.941 507 G HN 0.741 nan 8.290 nan 0.000 0.543 508 N N 0.439 119.123 118.700 -0.027 0.000 2.538 508 N HA 0.297 5.038 4.740 0.001 0.000 0.292 508 N C 1.972 177.467 175.510 -0.025 0.000 1.262 508 N CA 0.085 53.122 53.050 -0.021 0.000 0.976 508 N CB 0.390 38.867 38.487 -0.015 0.000 1.161 508 N HN 0.643 nan 8.380 nan 0.000 0.598 509 N N 0.554 119.243 118.700 -0.018 0.000 2.018 509 N HA -0.205 4.535 4.740 0.001 0.000 0.196 509 N C -0.227 175.273 175.510 -0.016 0.000 1.043 509 N CA 1.476 54.516 53.050 -0.016 0.000 0.856 509 N CB -0.474 38.008 38.487 -0.007 0.000 1.042 509 N HN 0.638 nan 8.380 nan 0.000 0.423 510 E N 1.457 121.649 120.200 -0.014 0.000 2.301 510 E HA 0.025 4.376 4.350 0.001 0.000 0.195 510 E C -0.267 176.322 176.600 -0.018 0.000 1.171 510 E CA -0.346 56.046 56.400 -0.014 0.000 1.142 510 E CB -0.887 28.806 29.700 -0.011 0.000 1.218 510 E HN 0.279 nan 8.360 nan 0.000 0.448 511 N N 2.189 120.875 118.700 -0.023 0.000 2.637 511 N HA -0.190 4.551 4.740 0.001 0.000 0.287 511 N C -0.083 175.412 175.510 -0.024 0.000 1.130 511 N CA 0.454 53.488 53.050 -0.028 0.000 0.764 511 N CB 0.013 38.483 38.487 -0.028 0.000 0.935 511 N HN 0.247 nan 8.380 nan 0.000 0.558 512 E N 0.997 121.182 120.200 -0.024 0.000 3.868 512 E HA 0.205 4.556 4.350 0.001 0.000 0.331 512 E C 0.075 176.660 176.600 -0.026 0.000 0.699 512 E CA -0.252 56.134 56.400 -0.023 0.000 1.672 512 E CB -0.522 29.165 29.700 -0.021 0.000 2.271 512 E HN 0.439 nan 8.360 nan 0.000 0.482 513 N N 2.321 121.004 118.700 -0.028 0.000 2.292 513 N HA -0.104 4.637 4.740 0.001 0.000 0.284 513 N C 0.004 175.497 175.510 -0.029 0.000 1.387 513 N CA 0.437 53.467 53.050 -0.034 0.000 0.961 513 N CB 0.244 38.705 38.487 -0.042 0.000 1.356 513 N HN -0.021 nan 8.380 nan 0.000 0.491 514 K N 2.201 122.585 120.400 -0.027 0.000 2.293 514 K HA 0.178 4.498 4.320 0.001 0.000 0.267 514 K C 0.010 176.604 176.600 -0.010 0.000 1.010 514 K CA -0.331 55.944 56.287 -0.020 0.000 0.875 514 K CB 0.849 33.335 32.500 -0.023 0.000 1.106 514 K HN 0.716 nan 8.250 nan 0.000 0.450 515 c N 2.366 120.971 118.600 0.009 0.000 5.461 515 c HA -0.193 4.378 4.570 0.001 0.000 0.227 515 c C 0.463 174.548 174.090 -0.008 0.000 1.350 515 c CA -0.011 56.337 56.329 0.031 0.000 1.285 515 c CB -1.651 40.876 42.510 0.028 0.000 2.111 515 c HN 0.883 nan 8.230 nan 0.000 0.625 516 M N 2.977 122.548 119.600 -0.048 0.000 2.327 516 M HA 0.199 4.680 4.480 0.001 0.000 0.353 516 M C -1.735 174.417 176.300 -0.246 0.000 1.539 516 M CA -1.526 53.702 55.300 -0.119 0.000 1.039 516 M CB 0.142 32.678 32.600 -0.107 0.000 1.967 516 M HN 0.195 nan 8.290 nan 0.000 0.459 517 P HA 0.136 nan 4.420 nan 0.000 0.264 517 P C -1.516 175.074 177.300 -1.182 0.000 1.537 517 P CA 0.200 62.773 63.100 -0.879 0.000 1.189 517 P CB -0.769 30.627 31.700 -0.505 0.000 1.687 518 N N -0.476 117.513 118.700 -1.186 0.000 4.173 518 N HA -0.017 4.724 4.740 0.001 0.000 0.218 518 N C 0.744 176.238 175.510 -0.028 0.000 1.312 518 N CA -0.469 52.283 53.050 -0.497 0.000 0.834 518 N CB -0.331 37.993 38.487 -0.272 0.000 1.467 518 N HN -0.120 nan 8.380 nan 0.000 0.468 519 S N -0.097 115.658 115.700 0.092 0.000 2.407 519 S HA -0.410 4.061 4.470 0.001 0.000 0.244 519 S C 1.161 175.799 174.600 0.064 0.000 1.077 519 S CA 1.861 60.124 58.200 0.104 0.000 1.159 519 S CB -1.138 62.098 63.200 0.060 0.000 1.045 519 S HN 0.685 nan 8.310 nan 0.000 0.438 520 E N 1.779 121.990 120.200 0.018 0.000 2.028 520 E HA -0.228 4.123 4.350 0.001 0.000 0.217 520 E C 1.043 177.656 176.600 0.023 0.000 1.039 520 E CA 1.642 58.046 56.400 0.006 0.000 0.882 520 E CB -0.771 28.917 29.700 -0.019 0.000 0.794 520 E HN 0.862 nan 8.360 nan 0.000 0.488 521 E N 1.408 121.620 120.200 0.020 0.000 2.652 521 E HA -0.151 4.200 4.350 0.001 0.000 0.255 521 E C 0.314 176.984 176.600 0.116 0.000 0.952 521 E CA 0.416 56.848 56.400 0.054 0.000 0.947 521 E CB 0.421 30.152 29.700 0.053 0.000 0.912 521 E HN 0.038 nan 8.360 nan 0.000 0.489 522 R N 3.303 123.870 120.500 0.112 0.000 2.319 522 R HA 0.015 4.355 4.340 0.001 0.000 0.204 522 R C -0.015 176.452 176.300 0.278 0.000 0.954 522 R CA 0.274 56.450 56.100 0.127 0.000 1.066 522 R CB 0.174 30.499 30.300 0.042 0.000 0.991 522 R HN 0.600 nan 8.270 nan 0.000 0.486 523 Y N -1.277 119.048 120.300 0.042 0.000 2.660 523 Y HA 0.152 4.702 4.550 0.001 0.000 0.254 523 Y C -0.929 175.066 175.900 0.159 0.000 1.176 523 Y CA -1.190 56.954 58.100 0.073 0.000 1.195 523 Y CB 0.270 38.776 38.460 0.076 0.000 1.190 523 Y HN -0.041 nan 8.280 nan 0.000 0.535 524 Y N -0.080 120.282 120.300 0.102 0.000 2.393 524 Y HA 0.669 5.220 4.550 0.001 0.000 0.341 524 Y C 0.420 176.326 175.900 0.011 0.000 0.988 524 Y CA -0.056 58.083 58.100 0.065 0.000 1.078 524 Y CB 1.096 39.590 38.460 0.057 0.000 1.203 524 Y HN 0.234 nan 8.280 nan 0.000 0.453 525 G N 3.361 111.671 108.800 -0.817 0.000 2.472 525 G HA2 -0.297 3.664 3.960 0.001 0.000 0.205 525 G HA3 -0.297 3.664 3.960 0.001 0.000 0.205 525 G C -0.688 173.985 174.900 -0.378 0.000 1.270 525 G CA 0.060 44.707 45.100 -0.756 0.000 0.974 525 G HN 0.596 nan 8.290 nan 0.000 0.542 526 Y N 0.391 120.596 120.300 -0.158 0.000 2.190 526 Y HA 0.115 4.666 4.550 0.001 0.000 0.290 526 Y C 3.441 179.309 175.900 -0.055 0.000 1.115 526 Y CA 2.236 60.263 58.100 -0.123 0.000 1.107 526 Y CB -1.209 37.163 38.460 -0.145 0.000 1.033 526 Y HN 0.625 nan 8.280 nan 0.000 0.502 527 T N -0.139 114.526 114.554 0.185 0.000 2.544 527 T HA -0.268 4.082 4.350 0.001 0.000 0.264 527 T C 2.255 177.062 174.700 0.179 0.000 1.096 527 T CA 2.052 64.295 62.100 0.238 0.000 1.181 527 T CB -1.232 67.770 68.868 0.223 0.000 0.864 527 T HN 0.573 nan 8.240 nan 0.000 0.415 528 G N 1.029 109.841 108.800 0.020 0.000 2.485 528 G HA2 -0.096 3.865 3.960 0.001 0.000 0.221 528 G HA3 -0.096 3.865 3.960 0.001 0.000 0.221 528 G C 1.777 176.560 174.900 -0.195 0.000 1.115 528 G CA 1.106 46.131 45.100 -0.125 0.000 0.751 528 G HN 0.651 nan 8.290 nan 0.000 0.567 529 A N 0.156 122.940 122.820 -0.059 0.000 1.940 529 A HA 0.058 4.379 4.320 0.001 0.000 0.219 529 A C 2.149 179.766 177.584 0.054 0.000 1.176 529 A CA 1.377 53.391 52.037 -0.038 0.000 0.631 529 A CB -0.445 18.576 19.000 0.036 0.000 0.814 529 A HN 0.290 nan 8.150 nan 0.000 0.446 530 F N -0.081 119.844 119.950 -0.042 0.000 2.118 530 F HA 0.036 4.564 4.527 0.001 0.000 0.293 530 F C 2.136 177.960 175.800 0.039 0.000 1.102 530 F CA 1.003 59.004 58.000 0.002 0.000 1.247 530 F CB -0.856 38.195 39.000 0.085 0.000 1.017 530 F HN 0.199 nan 8.300 nan 0.000 0.475 531 R N -0.583 120.044 120.500 0.212 0.000 2.459 531 R HA -0.221 4.119 4.340 0.001 0.000 0.235 531 R C 2.256 178.437 176.300 -0.199 0.000 1.178 531 R CA 0.882 56.898 56.100 -0.139 0.000 1.072 531 R CB -0.745 29.069 30.300 -0.811 0.000 0.829 531 R HN 0.420 nan 8.270 nan 0.000 0.492 532 c N -0.716 117.669 118.600 -0.358 0.000 3.244 532 c HA 0.012 4.583 4.570 0.001 0.000 0.291 532 c C 2.363 176.495 174.090 0.070 0.000 1.295 532 c CA 0.719 56.855 56.329 -0.322 0.000 1.739 532 c CB -0.853 41.473 42.510 -0.306 0.000 2.165 532 c HN 0.681 nan 8.230 nan 0.000 0.497 533 L N 0.960 122.204 121.223 0.036 0.000 2.418 533 L HA 0.307 4.648 4.340 0.001 0.000 0.218 533 L C 2.347 179.246 176.870 0.048 0.000 1.125 533 L CA 1.468 56.348 54.840 0.066 0.000 0.835 533 L CB -0.863 41.237 42.059 0.069 0.000 0.953 533 L HN 0.381 nan 8.230 nan 0.000 0.454 534 A N 1.102 123.893 122.820 -0.048 0.000 1.841 534 A HA -0.124 4.197 4.320 0.001 0.000 0.216 534 A C 1.160 178.814 177.584 0.116 0.000 1.199 534 A CA 1.237 53.229 52.037 -0.074 0.000 0.621 534 A CB -0.637 18.345 19.000 -0.030 0.000 0.835 534 A HN 0.626 nan 8.150 nan 0.000 0.445 535 E N 1.056 121.371 120.200 0.192 0.000 2.366 535 E HA 0.202 4.553 4.350 0.001 0.000 0.266 535 E C -0.735 175.952 176.600 0.144 0.000 1.051 535 E CA -0.596 55.914 56.400 0.182 0.000 0.884 535 E CB 0.386 30.204 29.700 0.198 0.000 1.006 535 E HN 0.300 nan 8.360 nan 0.000 0.417 536 K N 1.453 121.920 120.400 0.113 0.000 2.155 536 K HA 0.287 4.607 4.320 0.001 0.000 0.240 536 K C 0.046 176.707 176.600 0.103 0.000 1.193 536 K CA -0.198 56.148 56.287 0.099 0.000 1.104 536 K CB 0.492 33.033 32.500 0.069 0.000 1.558 536 K HN 0.487 nan 8.250 nan 0.000 0.313 537 A N 1.299 124.208 122.820 0.148 0.000 2.070 537 A HA 0.317 4.638 4.320 0.001 0.000 0.202 537 A C 1.061 178.745 177.584 0.167 0.000 1.277 537 A CA 0.637 52.767 52.037 0.154 0.000 0.872 537 A CB 0.225 19.353 19.000 0.212 0.000 0.933 537 A HN 0.567 nan 8.150 nan 0.000 0.475 538 G N -1.292 107.618 108.800 0.183 0.000 2.613 538 G HA2 0.486 4.446 3.960 0.001 0.000 0.303 538 G HA3 0.486 4.446 3.960 0.001 0.000 0.303 538 G C -0.596 174.350 174.900 0.077 0.000 1.312 538 G CA 0.141 45.327 45.100 0.143 0.000 1.036 538 G HN 0.073 nan 8.290 nan 0.000 0.513 539 D N -1.976 118.445 120.400 0.034 0.000 3.368 539 D HA 0.168 4.809 4.640 0.001 0.000 0.189 539 D C 0.503 176.784 176.300 -0.031 0.000 1.279 539 D CA -0.283 53.715 54.000 -0.003 0.000 1.206 539 D CB 0.875 41.645 40.800 -0.050 0.000 1.136 539 D HN 0.246 nan 8.370 nan 0.000 0.490 540 V N 1.274 121.125 119.914 -0.105 0.000 2.539 540 V HA 0.390 4.511 4.120 0.001 0.000 0.300 540 V C -0.183 175.747 176.094 -0.274 0.000 1.019 540 V CA 0.369 62.566 62.300 -0.172 0.000 1.160 540 V CB -0.316 31.353 31.823 -0.257 0.000 0.901 540 V HN 0.490 nan 8.190 nan 0.000 0.481 541 A N 6.919 129.624 122.820 -0.191 0.000 2.306 541 A HA 0.815 5.136 4.320 0.001 0.000 0.330 541 A C -0.815 176.607 177.584 -0.270 0.000 1.146 541 A CA -0.555 51.383 52.037 -0.166 0.000 0.827 541 A CB 0.848 19.882 19.000 0.057 0.000 1.178 541 A HN 0.815 nan 8.150 nan 0.000 0.490 542 F N 1.775 121.705 119.950 -0.033 0.000 2.307 542 F HA 0.480 5.007 4.527 0.001 0.000 0.369 542 F C 0.197 175.996 175.800 -0.001 0.000 1.076 542 F CA -0.411 57.562 58.000 -0.044 0.000 1.149 542 F CB 1.213 40.118 39.000 -0.157 0.000 1.410 542 F HN 0.422 nan 8.300 nan 0.000 0.481 543 V N -0.158 119.847 119.914 0.151 0.000 3.182 543 V HA 0.617 4.738 4.120 0.001 0.000 0.308 543 V C -0.568 175.531 176.094 0.009 0.000 1.240 543 V CA -1.719 60.625 62.300 0.074 0.000 1.063 543 V CB 1.924 33.692 31.823 -0.092 0.000 1.076 543 V HN 0.419 nan 8.190 nan 0.000 0.446 544 K N 0.120 120.471 120.400 -0.081 0.000 2.090 544 K HA 0.354 4.675 4.320 0.001 0.000 0.250 544 K C 0.591 177.088 176.600 -0.171 0.000 1.004 544 K CA 0.058 56.294 56.287 -0.085 0.000 0.919 544 K CB 0.675 33.082 32.500 -0.155 0.000 1.045 544 K HN 0.778 nan 8.250 nan 0.000 0.471 545 D N 1.663 121.998 120.400 -0.108 0.000 2.212 545 D HA -0.267 4.374 4.640 0.001 0.000 0.197 545 D C 1.844 178.033 176.300 -0.185 0.000 1.004 545 D CA 2.034 55.963 54.000 -0.117 0.000 0.864 545 D CB -1.252 39.507 40.800 -0.068 0.000 1.027 545 D HN 0.337 nan 8.370 nan 0.000 0.455 546 V N 1.547 121.351 119.914 -0.182 0.000 2.311 546 V HA -0.382 3.739 4.120 0.001 0.000 0.259 546 V C 2.716 178.653 176.094 -0.262 0.000 1.086 546 V CA 2.943 65.123 62.300 -0.200 0.000 1.078 546 V CB -1.898 29.798 31.823 -0.210 0.000 0.668 546 V HN 0.342 nan 8.190 nan 0.000 0.452 547 T N 0.777 115.107 114.554 -0.373 0.000 2.527 547 T HA -0.340 4.011 4.350 0.001 0.000 0.258 547 T C 1.796 176.231 174.700 -0.443 0.000 1.175 547 T CA 2.609 64.449 62.100 -0.433 0.000 1.168 547 T CB -0.944 67.597 68.868 -0.544 0.000 0.860 547 T HN 0.367 nan 8.240 nan 0.000 0.429 548 V N 2.368 121.911 119.914 -0.619 0.000 2.250 548 V HA -0.247 3.874 4.120 0.001 0.000 0.253 548 V C 2.528 178.586 176.094 -0.059 0.000 1.065 548 V CA 2.249 64.309 62.300 -0.400 0.000 1.039 548 V CB -1.159 30.560 31.823 -0.173 0.000 0.647 548 V HN 0.504 nan 8.190 nan 0.000 0.446 549 L N -0.287 120.882 121.223 -0.090 0.000 2.450 549 L HA -0.130 4.211 4.340 0.001 0.000 0.224 549 L C 1.602 178.443 176.870 -0.049 0.000 1.149 549 L CA 1.050 55.863 54.840 -0.045 0.000 0.816 549 L CB -0.727 41.299 42.059 -0.055 0.000 0.932 549 L HN 0.453 nan 8.230 nan 0.000 0.449 550 Q N 1.167 120.924 119.800 -0.072 0.000 2.375 550 Q HA 0.169 4.510 4.340 0.001 0.000 0.316 550 Q C 0.315 176.292 176.000 -0.038 0.000 0.927 550 Q CA -0.124 55.647 55.803 -0.053 0.000 1.029 550 Q CB 0.076 28.776 28.738 -0.065 0.000 1.202 550 Q HN 0.650 nan 8.270 nan 0.000 0.431 551 N N -2.038 116.634 118.700 -0.045 0.000 2.496 551 N HA -0.081 4.660 4.740 0.001 0.000 0.317 551 N C 0.178 175.618 175.510 -0.117 0.000 0.629 551 N CA 0.209 53.191 53.050 -0.114 0.000 0.894 551 N CB -0.157 38.242 38.487 -0.145 0.000 2.220 551 N HN 0.130 nan 8.380 nan 0.000 1.447 552 T N 0.631 115.168 114.554 -0.029 0.000 2.940 552 T HA 0.258 4.608 4.350 0.001 0.000 0.309 552 T C -0.259 174.439 174.700 -0.003 0.000 1.056 552 T CA 0.838 62.938 62.100 0.001 0.000 1.137 552 T CB 0.594 69.537 68.868 0.124 0.000 0.976 552 T HN 0.332 nan 8.240 nan 0.000 0.547 553 D N 0.948 121.343 120.400 -0.009 0.000 2.873 553 D HA -0.022 4.618 4.640 0.001 0.000 0.228 553 D C 0.893 177.177 176.300 -0.027 0.000 1.122 553 D CA 1.612 55.605 54.000 -0.010 0.000 0.758 553 D CB -1.571 39.234 40.800 0.007 0.000 1.094 553 D HN 1.478 nan 8.370 nan 0.000 0.434 554 G N -0.134 108.638 108.800 -0.048 0.000 2.171 554 G HA2 -0.349 3.611 3.960 0.001 0.000 0.238 554 G HA3 -0.349 3.611 3.960 0.001 0.000 0.238 554 G C 0.634 175.506 174.900 -0.046 0.000 1.039 554 G CA 0.262 45.334 45.100 -0.048 0.000 0.759 554 G HN 0.330 nan 8.290 nan 0.000 0.501 555 K N 0.148 120.512 120.400 -0.060 0.000 2.455 555 K HA 0.164 4.485 4.320 0.001 0.000 0.206 555 K C 0.321 176.884 176.600 -0.060 0.000 1.027 555 K CA -0.085 56.172 56.287 -0.049 0.000 1.113 555 K CB 0.077 32.553 32.500 -0.041 0.000 0.850 555 K HN 0.576 nan 8.250 nan 0.000 0.503 556 N N -0.113 118.535 118.700 -0.087 0.000 2.864 556 N HA -0.037 4.704 4.740 0.001 0.000 0.247 556 N C 0.097 175.546 175.510 -0.102 0.000 1.071 556 N CA 0.167 53.162 53.050 -0.091 0.000 1.056 556 N CB 1.320 39.708 38.487 -0.166 0.000 1.661 556 N HN -0.126 nan 8.380 nan 0.000 0.570 557 S N 1.944 117.626 115.700 -0.031 0.000 2.395 557 S HA -0.033 4.438 4.470 0.001 0.000 0.225 557 S C 0.483 175.093 174.600 0.017 0.000 1.027 557 S CA 0.480 58.675 58.200 -0.009 0.000 0.965 557 S CB -0.188 63.024 63.200 0.021 0.000 0.812 557 S HN 0.644 nan 8.310 nan 0.000 0.482 558 E N 3.441 123.694 120.200 0.087 0.000 2.608 558 E HA 0.064 4.414 4.350 0.001 0.000 0.259 558 E C -1.521 175.203 176.600 0.207 0.000 0.951 558 E CA -0.872 55.672 56.400 0.239 0.000 0.945 558 E CB 0.116 30.159 29.700 0.571 0.000 0.916 558 E HN 0.092 nan 8.360 nan 0.000 0.477 559 P HA -0.340 nan 4.420 nan 0.000 0.229 559 P C 1.048 178.484 177.300 0.227 0.000 0.791 559 P CA 2.197 65.430 63.100 0.221 0.000 1.091 559 P CB -0.501 31.341 31.700 0.236 0.000 0.715 560 W N -0.119 121.200 121.300 0.033 0.000 2.406 560 W HA -0.298 4.362 4.660 0.001 0.000 0.349 560 W C 0.869 177.398 176.519 0.017 0.000 1.518 560 W CA 1.811 59.174 57.345 0.029 0.000 1.386 560 W CB -2.570 26.913 29.460 0.039 0.000 0.975 560 W HN 0.233 nan 8.180 nan 0.000 0.495 561 A N 2.470 124.949 122.820 -0.568 0.000 3.079 561 A HA 0.456 4.776 4.320 0.001 0.000 0.315 561 A C 1.219 178.457 177.584 -0.576 0.000 1.334 561 A CA 0.047 51.724 52.037 -0.599 0.000 1.048 561 A CB -0.578 17.951 19.000 -0.784 0.000 1.156 561 A HN 0.471 nan 8.150 nan 0.000 0.523 562 K N -0.535 119.678 120.400 -0.312 0.000 2.358 562 K HA 0.165 4.485 4.320 0.001 0.000 0.197 562 K C -0.231 176.295 176.600 -0.123 0.000 1.025 562 K CA 0.817 56.981 56.287 -0.204 0.000 1.104 562 K CB 0.275 32.707 32.500 -0.114 0.000 0.855 562 K HN 0.352 nan 8.250 nan 0.000 0.531 563 D N -0.406 119.929 120.400 -0.108 0.000 2.475 563 D HA 0.083 4.724 4.640 0.001 0.000 0.306 563 D C 0.162 176.441 176.300 -0.036 0.000 1.304 563 D CA -0.502 53.463 54.000 -0.058 0.000 0.862 563 D CB -0.315 40.463 40.800 -0.037 0.000 1.306 563 D HN 0.029 nan 8.370 nan 0.000 0.494 564 L N 0.418 121.615 121.223 -0.043 0.000 2.472 564 L HA 0.148 4.489 4.340 0.001 0.000 0.273 564 L C 0.251 177.164 176.870 0.071 0.000 1.254 564 L CA 0.274 55.135 54.840 0.034 0.000 0.823 564 L CB 0.358 42.459 42.059 0.071 0.000 1.096 564 L HN -0.148 nan 8.230 nan 0.000 0.521 565 K N 0.304 120.777 120.400 0.122 0.000 2.156 565 K HA 0.273 4.594 4.320 0.001 0.000 0.254 565 K C 0.336 177.068 176.600 0.220 0.000 0.950 565 K CA -0.559 55.788 56.287 0.100 0.000 0.849 565 K CB 1.419 33.921 32.500 0.004 0.000 1.100 565 K HN 0.310 nan 8.250 nan 0.000 0.434 566 Q N 0.803 120.698 119.800 0.159 0.000 2.046 566 Q HA -0.177 4.164 4.340 0.001 0.000 0.200 566 Q C 1.492 177.605 176.000 0.187 0.000 0.975 566 Q CA 1.386 57.308 55.803 0.198 0.000 0.836 566 Q CB -0.128 28.674 28.738 0.107 0.000 0.896 566 Q HN 0.700 nan 8.270 nan 0.000 0.428 567 E N 1.168 121.419 120.200 0.085 0.000 2.209 567 E HA -0.249 4.102 4.350 0.001 0.000 0.196 567 E C 1.520 178.117 176.600 -0.005 0.000 0.993 567 E CA 1.168 57.592 56.400 0.040 0.000 0.819 567 E CB -0.202 29.500 29.700 0.004 0.000 0.745 567 E HN 0.316 nan 8.360 nan 0.000 0.477 568 D N -0.258 120.092 120.400 -0.084 0.000 2.156 568 D HA -0.195 4.446 4.640 0.001 0.000 0.190 568 D C 0.066 176.106 176.300 -0.433 0.000 0.998 568 D CA 1.038 54.798 54.000 -0.400 0.000 0.842 568 D CB -0.183 40.107 40.800 -0.849 0.000 0.974 568 D HN 0.110 nan 8.370 nan 0.000 0.447 569 F N 0.572 120.539 119.950 0.029 0.000 2.382 569 F HA 0.374 4.902 4.527 0.001 0.000 0.331 569 F C 1.178 177.015 175.800 0.061 0.000 1.121 569 F CA -0.469 57.565 58.000 0.057 0.000 1.183 569 F CB 0.702 39.781 39.000 0.131 0.000 1.207 569 F HN -0.166 nan 8.300 nan 0.000 0.555 570 E N 0.974 121.307 120.200 0.221 0.000 2.355 570 E HA 0.634 4.985 4.350 0.001 0.000 0.261 570 E C -1.204 175.466 176.600 0.118 0.000 0.943 570 E CA -1.022 55.457 56.400 0.132 0.000 0.806 570 E CB 2.160 31.905 29.700 0.074 0.000 1.286 570 E HN 0.393 nan 8.360 nan 0.000 0.424 571 L N 1.068 122.337 121.223 0.078 0.000 2.334 571 L HA 0.374 4.715 4.340 0.001 0.000 0.275 571 L C -0.515 176.385 176.870 0.050 0.000 1.036 571 L CA -0.967 53.906 54.840 0.055 0.000 0.807 571 L CB 0.780 42.860 42.059 0.035 0.000 1.231 571 L HN 0.263 nan 8.230 nan 0.000 0.438 572 L N 2.187 123.439 121.223 0.047 0.000 2.603 572 L HA 0.261 4.602 4.340 0.001 0.000 0.242 572 L C 0.029 176.902 176.870 0.004 0.000 1.169 572 L CA -0.370 54.518 54.840 0.079 0.000 1.029 572 L CB 0.006 42.180 42.059 0.191 0.000 1.361 572 L HN 0.794 nan 8.230 nan 0.000 0.439 573 c N 0.136 118.720 118.600 -0.026 0.000 2.833 573 c HA -0.129 4.442 4.570 0.001 0.000 0.394 573 c C 2.467 176.477 174.090 -0.133 0.000 1.229 573 c CA -0.397 55.877 56.329 -0.092 0.000 1.826 573 c CB 0.212 42.697 42.510 -0.042 0.000 2.659 573 c HN 0.676 nan 8.230 nan 0.000 0.675 574 L N 1.443 122.544 121.223 -0.202 0.000 2.027 574 L HA -0.115 4.225 4.340 0.001 0.000 0.206 574 L C 2.659 179.516 176.870 -0.022 0.000 1.074 574 L CA 2.154 56.872 54.840 -0.204 0.000 0.745 574 L CB -0.577 41.353 42.059 -0.215 0.000 0.898 574 L HN 0.898 nan 8.230 nan 0.000 0.433 575 D N -0.955 119.440 120.400 -0.009 0.000 2.144 575 D HA -0.171 4.470 4.640 0.001 0.000 0.199 575 D C 1.467 177.810 176.300 0.072 0.000 0.984 575 D CA 1.716 55.736 54.000 0.033 0.000 0.834 575 D CB 0.035 40.846 40.800 0.017 0.000 0.955 575 D HN 0.417 nan 8.370 nan 0.000 0.465 576 G N -0.860 107.985 108.800 0.075 0.000 2.902 576 G HA2 -0.161 3.799 3.960 0.001 0.000 0.215 576 G HA3 -0.161 3.799 3.960 0.001 0.000 0.215 576 G C 0.673 175.619 174.900 0.076 0.000 0.976 576 G CA 0.367 45.530 45.100 0.106 0.000 0.794 576 G HN 0.479 nan 8.290 nan 0.000 0.557 577 T N 0.244 114.827 114.554 0.048 0.000 4.169 577 T HA 0.602 4.952 4.350 0.001 0.000 0.413 577 T C 0.655 175.379 174.700 0.040 0.000 1.164 577 T CA 0.568 62.690 62.100 0.037 0.000 0.996 577 T CB 0.538 69.420 68.868 0.022 0.000 1.636 577 T HN 0.466 nan 8.240 nan 0.000 0.511 578 R N -1.256 119.262 120.500 0.030 0.000 2.741 578 R HA 0.587 4.928 4.340 0.001 0.000 0.276 578 R C -1.616 174.699 176.300 0.026 0.000 1.028 578 R CA -0.808 55.311 56.100 0.032 0.000 0.865 578 R CB 1.368 31.688 30.300 0.034 0.000 1.268 578 R HN 0.315 nan 8.270 nan 0.000 0.475 579 K N 0.250 120.668 120.400 0.030 0.000 2.617 579 K HA 0.459 4.780 4.320 0.001 0.000 0.293 579 K C -2.894 173.729 176.600 0.038 0.000 1.034 579 K CA -1.686 54.617 56.287 0.028 0.000 0.884 579 K CB 1.929 34.444 32.500 0.025 0.000 1.541 579 K HN 0.354 nan 8.250 nan 0.000 0.409 580 P HA 0.310 nan 4.420 nan 0.000 0.286 580 P C 0.617 177.950 177.300 0.054 0.000 1.292 580 P CA -0.478 62.652 63.100 0.049 0.000 0.842 580 P CB 0.945 32.666 31.700 0.035 0.000 1.207 581 V N 0.330 120.289 119.914 0.075 0.000 2.667 581 V HA -0.165 3.956 4.120 0.001 0.000 0.252 581 V C 2.590 178.703 176.094 0.032 0.000 1.065 581 V CA 2.400 64.737 62.300 0.062 0.000 1.083 581 V CB -1.704 30.177 31.823 0.096 0.000 0.692 581 V HN 0.646 nan 8.190 nan 0.000 0.468 582 A N 0.198 123.038 122.820 0.033 0.000 1.877 582 A HA -0.201 4.119 4.320 0.001 0.000 0.216 582 A C 1.624 179.212 177.584 0.007 0.000 1.186 582 A CA 1.350 53.397 52.037 0.016 0.000 0.620 582 A CB -0.291 18.719 19.000 0.016 0.000 0.822 582 A HN 0.592 nan 8.150 nan 0.000 0.443 583 E N -0.253 119.954 120.200 0.012 0.000 1.963 583 E HA 0.520 4.871 4.350 0.001 0.000 0.274 583 E C 0.456 177.063 176.600 0.012 0.000 1.061 583 E CA 0.114 56.519 56.400 0.008 0.000 0.847 583 E CB 0.544 30.250 29.700 0.011 0.000 1.083 583 E HN 0.371 nan 8.360 nan 0.000 0.402 584 A N 4.537 127.359 122.820 0.003 0.000 2.383 584 A HA 0.004 4.325 4.320 0.001 0.000 0.225 584 A C 1.451 179.044 177.584 0.014 0.000 1.946 584 A CA 0.530 52.571 52.037 0.008 0.000 0.739 584 A CB -0.325 18.668 19.000 -0.011 0.000 1.405 584 A HN 0.730 nan 8.150 nan 0.000 0.548 585 E N 0.077 120.259 120.200 -0.029 0.000 2.629 585 E HA -0.359 3.992 4.350 0.001 0.000 0.258 585 E C 2.009 178.603 176.600 -0.010 0.000 1.151 585 E CA 2.027 58.376 56.400 -0.084 0.000 1.248 585 E CB -0.876 28.774 29.700 -0.084 0.000 1.073 585 E HN 0.443 nan 8.360 nan 0.000 0.437 586 S N -0.625 115.110 115.700 0.060 0.000 2.404 586 S HA -0.011 4.459 4.470 0.001 0.000 0.223 586 S C 1.094 175.785 174.600 0.152 0.000 1.040 586 S CA 0.361 58.630 58.200 0.115 0.000 0.957 586 S CB 0.229 63.457 63.200 0.048 0.000 0.826 586 S HN 0.462 nan 8.310 nan 0.000 0.491 587 c N 4.450 123.102 118.600 0.087 0.000 2.298 587 c HA 0.502 5.072 4.570 0.001 0.000 0.451 587 c C -0.199 173.925 174.090 0.057 0.000 1.028 587 c CA -0.656 55.691 56.329 0.030 0.000 1.324 587 c CB -2.582 39.936 42.510 0.013 0.000 1.534 587 c HN 0.635 nan 8.230 nan 0.000 0.528 588 H N 1.645 120.669 119.070 -0.077 0.000 2.689 588 H HA 0.450 5.007 4.556 0.001 0.000 0.346 588 H C 0.350 175.603 175.328 -0.125 0.000 1.037 588 H CA -1.067 54.929 56.048 -0.087 0.000 1.234 588 H CB 0.625 30.343 29.762 -0.073 0.000 1.572 588 H HN 0.231 nan 8.280 nan 0.000 0.524 589 L N 2.036 123.102 121.223 -0.262 0.000 1.990 589 L HA -0.015 4.326 4.340 0.001 0.000 0.213 589 L C 1.017 177.664 176.870 -0.371 0.000 1.072 589 L CA 1.981 56.612 54.840 -0.347 0.000 0.755 589 L CB -0.426 41.479 42.059 -0.256 0.000 0.889 589 L HN 0.932 nan 8.230 nan 0.000 0.432 590 A N -1.704 121.019 122.820 -0.162 0.000 2.456 590 A HA 0.557 4.878 4.320 0.001 0.000 0.294 590 A C -1.229 176.412 177.584 0.096 0.000 1.057 590 A CA -0.724 51.292 52.037 -0.036 0.000 0.623 590 A CB 0.668 19.581 19.000 -0.145 0.000 1.338 590 A HN 0.006 nan 8.150 nan 0.000 0.464 591 R N -0.029 120.481 120.500 0.015 0.000 2.308 591 R HA 0.657 4.998 4.340 0.001 0.000 0.305 591 R C -0.177 175.983 176.300 -0.233 0.000 1.053 591 R CA 0.782 56.825 56.100 -0.096 0.000 0.957 591 R CB 1.173 31.418 30.300 -0.091 0.000 1.022 591 R HN 1.385 nan 8.270 nan 0.000 0.461 592 A N 6.602 129.207 122.820 -0.357 0.000 2.287 592 A HA 0.538 4.859 4.320 0.001 0.000 0.317 592 A C -2.445 174.812 177.584 -0.545 0.000 1.220 592 A CA -2.058 49.648 52.037 -0.553 0.000 0.835 592 A CB 0.931 19.452 19.000 -0.799 0.000 1.180 592 A HN 0.580 nan 8.150 nan 0.000 0.500 593 P HA 0.003 nan 4.420 nan 0.000 0.266 593 P C -0.136 177.261 177.300 0.162 0.000 1.193 593 P CA 0.188 63.336 63.100 0.080 0.000 0.770 593 P CB 0.370 32.296 31.700 0.377 0.000 0.836 594 N N 0.439 119.335 118.700 0.327 0.000 2.444 594 N HA 0.040 4.781 4.740 0.001 0.000 0.255 594 N C 0.424 176.307 175.510 0.621 0.000 1.255 594 N CA -0.198 53.150 53.050 0.496 0.000 0.933 594 N CB 0.209 38.938 38.487 0.403 0.000 1.143 594 N HN 0.549 nan 8.380 nan 0.000 0.453 595 H N -0.268 119.067 119.070 0.442 0.000 2.660 595 H HA 0.492 5.049 4.556 0.001 0.000 0.374 595 H C -0.267 175.180 175.328 0.198 0.000 1.291 595 H CA -0.562 55.669 56.048 0.304 0.000 1.437 595 H CB 0.892 30.826 29.762 0.287 0.000 1.509 595 H HN 0.562 nan 8.280 nan 0.000 0.614 596 A N 0.733 123.679 122.820 0.209 0.000 2.511 596 A HA 0.428 4.748 4.320 0.001 0.000 0.293 596 A C -1.288 176.353 177.584 0.095 0.000 1.098 596 A CA -0.651 51.450 52.037 0.106 0.000 0.643 596 A CB 0.527 19.473 19.000 -0.090 0.000 1.302 596 A HN 0.375 nan 8.150 nan 0.000 0.446 597 V N -0.048 119.919 119.914 0.088 0.000 2.997 597 V HA 0.723 4.843 4.120 0.001 0.000 0.311 597 V C -0.017 176.052 176.094 -0.041 0.000 1.066 597 V CA 0.051 62.390 62.300 0.066 0.000 1.039 597 V CB 1.307 33.194 31.823 0.106 0.000 1.081 597 V HN 1.548 nan 8.190 nan 0.000 0.467 598 V N -0.303 119.551 119.914 -0.099 0.000 3.120 598 V HA 0.920 5.041 4.120 0.001 0.000 0.303 598 V C -0.664 175.348 176.094 -0.138 0.000 1.238 598 V CA -0.323 61.915 62.300 -0.103 0.000 1.008 598 V CB 1.490 33.255 31.823 -0.095 0.000 1.064 598 V HN 0.887 nan 8.190 nan 0.000 0.434 599 S N 0.301 115.937 115.700 -0.106 0.000 2.752 599 S HA 0.537 5.007 4.470 0.001 0.000 0.284 599 S C -1.578 172.972 174.600 -0.083 0.000 1.189 599 S CA -0.574 57.558 58.200 -0.113 0.000 0.835 599 S CB 2.134 65.269 63.200 -0.109 0.000 1.192 599 S HN 0.889 nan 8.310 nan 0.000 0.506 600 Q N 2.096 121.847 119.800 -0.082 0.000 2.296 600 Q HA 0.189 4.530 4.340 0.001 0.000 0.263 600 Q C 1.488 177.457 176.000 -0.051 0.000 1.026 600 Q CA 0.589 56.351 55.803 -0.068 0.000 0.912 600 Q CB 1.141 29.835 28.738 -0.073 0.000 1.198 600 Q HN 0.899 nan 8.270 nan 0.000 0.407 601 S N 3.296 118.971 115.700 -0.041 0.000 2.472 601 S HA -0.360 4.111 4.470 0.001 0.000 0.292 601 S C 1.162 175.749 174.600 -0.022 0.000 1.175 601 S CA 2.339 60.524 58.200 -0.026 0.000 1.249 601 S CB -0.590 62.595 63.200 -0.025 0.000 1.208 601 S HN 0.814 nan 8.310 nan 0.000 0.442 602 D N 1.310 121.692 120.400 -0.030 0.000 2.117 602 D HA -0.172 4.468 4.640 0.001 0.000 0.197 602 D C 1.658 177.942 176.300 -0.026 0.000 0.987 602 D CA 0.944 54.928 54.000 -0.027 0.000 0.829 602 D CB -0.512 40.267 40.800 -0.036 0.000 0.961 602 D HN 0.335 nan 8.370 nan 0.000 0.460 603 R N 1.040 121.515 120.500 -0.042 0.000 2.346 603 R HA 0.251 4.592 4.340 0.001 0.000 0.208 603 R C 1.405 177.698 176.300 -0.013 0.000 1.052 603 R CA 0.278 56.351 56.100 -0.045 0.000 1.116 603 R CB -0.608 29.647 30.300 -0.076 0.000 1.003 603 R HN 0.315 nan 8.270 nan 0.000 0.482 604 A N 0.931 123.751 122.820 -0.000 0.000 2.213 604 A HA -0.195 4.126 4.320 0.001 0.000 0.192 604 A C 1.692 179.307 177.584 0.051 0.000 1.296 604 A CA 0.786 52.831 52.037 0.015 0.000 0.703 604 A CB -0.702 18.308 19.000 0.016 0.000 0.941 604 A HN 0.317 nan 8.150 nan 0.000 0.517 605 Q N -1.783 118.053 119.800 0.060 0.000 2.321 605 Q HA -0.414 3.927 4.340 0.001 0.000 0.226 605 Q C 1.987 178.052 176.000 0.108 0.000 1.090 605 Q CA 2.678 58.531 55.803 0.082 0.000 0.968 605 Q CB -0.844 27.942 28.738 0.081 0.000 1.036 605 Q HN 0.829 nan 8.270 nan 0.000 0.505 606 H N 0.413 119.496 119.070 0.023 0.000 2.260 606 H HA -0.240 4.317 4.556 0.001 0.000 0.288 606 H C 2.152 177.495 175.328 0.026 0.000 1.094 606 H CA 2.249 58.311 56.048 0.025 0.000 1.197 606 H CB -0.689 29.077 29.762 0.007 0.000 1.346 606 H HN 0.406 nan 8.280 nan 0.000 0.486 607 L N 1.290 122.655 121.223 0.236 0.000 1.957 607 L HA -0.303 4.038 4.340 0.001 0.000 0.228 607 L C 2.666 179.572 176.870 0.061 0.000 1.086 607 L CA 2.784 57.708 54.840 0.140 0.000 0.796 607 L CB -1.064 41.023 42.059 0.048 0.000 0.900 607 L HN 0.407 nan 8.230 nan 0.000 0.439 608 K N -0.007 120.397 120.400 0.006 0.000 2.030 608 K HA -0.335 3.986 4.320 0.001 0.000 0.222 608 K C 2.236 178.775 176.600 -0.101 0.000 1.056 608 K CA 2.718 58.937 56.287 -0.113 0.000 0.957 608 K CB -0.396 32.068 32.500 -0.060 0.000 0.727 608 K HN 0.355 nan 8.250 nan 0.000 0.452 609 K N 0.270 120.698 120.400 0.046 0.000 2.001 609 K HA -0.233 4.088 4.320 0.001 0.000 0.223 609 K C 1.998 178.648 176.600 0.084 0.000 1.055 609 K CA 2.704 59.063 56.287 0.120 0.000 0.965 609 K CB -0.484 32.022 32.500 0.009 0.000 0.730 609 K HN 0.171 nan 8.250 nan 0.000 0.449 610 V N 1.857 121.765 119.914 -0.010 0.000 2.250 610 V HA -0.328 3.793 4.120 0.001 0.000 0.253 610 V C 2.559 178.735 176.094 0.136 0.000 1.065 610 V CA 2.277 64.599 62.300 0.036 0.000 1.039 610 V CB -0.600 31.248 31.823 0.042 0.000 0.647 610 V HN 0.387 nan 8.190 nan 0.000 0.446 611 L N -1.592 119.717 121.223 0.144 0.000 1.990 611 L HA -0.214 4.126 4.340 0.001 0.000 0.213 611 L C 2.464 179.432 176.870 0.162 0.000 1.072 611 L CA 1.922 56.889 54.840 0.212 0.000 0.755 611 L CB -0.486 41.660 42.059 0.144 0.000 0.889 611 L HN 0.229 nan 8.230 nan 0.000 0.432 612 F N 0.005 120.030 119.950 0.124 0.000 2.091 612 F HA -0.300 4.227 4.527 0.001 0.000 0.299 612 F C 2.305 178.119 175.800 0.024 0.000 1.103 612 F CA 1.551 59.589 58.000 0.063 0.000 1.228 612 F CB -1.021 38.005 39.000 0.043 0.000 0.984 612 F HN -0.017 nan 8.300 nan 0.000 0.477 613 L N -0.858 120.503 121.223 0.230 0.000 1.971 613 L HA -0.282 4.059 4.340 0.001 0.000 0.215 613 L C 2.564 179.442 176.870 0.014 0.000 1.072 613 L CA 1.421 56.321 54.840 0.099 0.000 0.758 613 L CB -1.276 40.829 42.059 0.077 0.000 0.889 613 L HN 0.091 nan 8.230 nan 0.000 0.433 614 Q N 0.396 120.232 119.800 0.059 0.000 2.135 614 Q HA -0.273 4.067 4.340 0.001 0.000 0.204 614 Q C 2.197 178.046 176.000 -0.251 0.000 0.981 614 Q CA 2.132 57.885 55.803 -0.084 0.000 0.856 614 Q CB -0.496 28.499 28.738 0.429 0.000 0.902 614 Q HN 0.707 nan 8.270 nan 0.000 0.425 615 Q N 0.625 120.430 119.800 0.009 0.000 2.297 615 Q HA -0.126 4.215 4.340 0.001 0.000 0.204 615 Q C 0.578 176.528 176.000 -0.083 0.000 0.962 615 Q CA 1.636 57.444 55.803 0.008 0.000 0.879 615 Q CB 0.083 28.905 28.738 0.140 0.000 0.947 615 Q HN 0.186 nan 8.270 nan 0.000 0.462 616 D N -0.379 119.975 120.400 -0.076 0.000 2.333 616 D HA -0.045 4.596 4.640 0.001 0.000 0.208 616 D C 1.504 177.711 176.300 -0.155 0.000 0.984 616 D CA 0.585 54.533 54.000 -0.087 0.000 0.873 616 D CB 0.208 40.984 40.800 -0.039 0.000 0.935 616 D HN 0.418 nan 8.370 nan 0.000 0.521 617 Q N -0.581 119.029 119.800 -0.317 0.000 2.134 617 Q HA 0.068 4.408 4.340 0.001 0.000 0.195 617 Q C -0.240 175.584 176.000 -0.294 0.000 0.958 617 Q CA 0.658 56.217 55.803 -0.407 0.000 0.840 617 Q CB 0.354 28.667 28.738 -0.708 0.000 0.918 617 Q HN 0.294 nan 8.270 nan 0.000 0.467 618 F N -1.015 118.918 119.950 -0.029 0.000 2.646 618 F HA 0.700 5.228 4.527 0.001 0.000 0.336 618 F C 0.048 175.713 175.800 -0.226 0.000 1.437 618 F CA -0.948 56.972 58.000 -0.134 0.000 1.142 618 F CB 0.423 39.314 39.000 -0.181 0.000 1.530 618 F HN -0.012 nan 8.300 nan 0.000 0.591 619 G N 0.303 109.045 108.800 -0.097 0.000 3.257 619 G HA2 0.494 4.455 3.960 0.001 0.000 0.205 619 G HA3 0.494 4.455 3.960 0.001 0.000 0.205 619 G C 0.787 175.534 174.900 -0.255 0.000 1.234 619 G CA -0.222 44.716 45.100 -0.269 0.000 0.918 619 G HN 0.464 nan 8.290 nan 0.000 0.602 620 G N 0.467 109.059 108.800 -0.347 0.000 2.764 620 G HA2 -0.303 3.658 3.960 0.001 0.000 0.219 620 G HA3 -0.303 3.658 3.960 0.001 0.000 0.219 620 G C 1.193 176.004 174.900 -0.149 0.000 1.259 620 G CA 1.562 46.521 45.100 -0.235 0.000 0.793 620 G HN 0.600 nan 8.290 nan 0.000 0.633 621 N N 0.951 119.571 118.700 -0.135 0.000 2.322 621 N HA 0.296 5.037 4.740 0.001 0.000 0.194 621 N C 1.113 176.577 175.510 -0.076 0.000 1.126 621 N CA 0.251 53.246 53.050 -0.091 0.000 0.845 621 N CB 0.426 38.863 38.487 -0.083 0.000 0.976 621 N HN 0.385 nan 8.380 nan 0.000 0.475 622 G N 2.281 111.026 108.800 -0.091 0.000 2.118 622 G HA2 -0.046 3.914 3.960 0.001 0.000 0.268 622 G HA3 -0.046 3.914 3.960 0.001 0.000 0.268 622 G C -1.414 173.477 174.900 -0.014 0.000 1.006 622 G CA -0.749 44.315 45.100 -0.060 0.000 1.066 622 G HN 0.088 nan 8.290 nan 0.000 0.388 623 P HA -0.209 nan 4.420 nan 0.000 0.214 623 P C 1.371 178.698 177.300 0.046 0.000 1.164 623 P CA 1.142 64.250 63.100 0.013 0.000 0.942 623 P CB 0.247 31.954 31.700 0.012 0.000 0.791 624 D N -1.540 118.914 120.400 0.089 0.000 2.358 624 D HA -0.067 4.574 4.640 0.001 0.000 0.241 624 D C 1.641 178.044 176.300 0.172 0.000 1.094 624 D CA 0.082 54.170 54.000 0.146 0.000 0.907 624 D CB -0.612 40.322 40.800 0.223 0.000 0.893 624 D HN 0.038 nan 8.370 nan 0.000 0.528 625 c N 1.051 119.724 118.600 0.122 0.000 2.647 625 c HA -0.175 4.396 4.570 0.001 0.000 0.287 625 c C -0.543 173.560 174.090 0.021 0.000 1.191 625 c CA 1.005 57.377 56.329 0.072 0.000 1.792 625 c CB -1.106 41.406 42.510 0.004 0.000 1.976 625 c HN 0.298 nan 8.230 nan 0.000 0.424 626 P HA 0.086 nan 4.420 nan 0.000 0.226 626 P C 1.181 178.499 177.300 0.030 0.000 1.153 626 P CA 1.851 64.959 63.100 0.013 0.000 0.777 626 P CB -0.468 31.235 31.700 0.006 0.000 0.794 627 G N -1.174 107.651 108.800 0.042 0.000 2.535 627 G HA2 -0.177 3.784 3.960 0.001 0.000 0.218 627 G HA3 -0.177 3.784 3.960 0.001 0.000 0.218 627 G C 1.404 176.337 174.900 0.056 0.000 1.122 627 G CA 0.942 46.071 45.100 0.048 0.000 0.769 627 G HN 0.290 nan 8.290 nan 0.000 0.549 628 K N -2.664 117.773 120.400 0.062 0.000 3.001 628 K HA 0.321 4.642 4.320 0.001 0.000 0.241 628 K C -1.067 175.583 176.600 0.083 0.000 2.102 628 K CA -0.534 55.790 56.287 0.062 0.000 1.314 628 K CB 0.563 33.108 32.500 0.075 0.000 2.395 628 K HN 0.053 nan 8.250 nan 0.000 0.470 629 F N 0.783 120.619 119.950 -0.190 0.000 2.591 629 F HA 0.468 4.995 4.527 0.001 0.000 0.309 629 F C -1.758 173.908 175.800 -0.224 0.000 1.098 629 F CA -1.362 56.469 58.000 -0.281 0.000 0.937 629 F CB 1.944 40.641 39.000 -0.506 0.000 1.250 629 F HN 0.081 nan 8.300 nan 0.000 0.447 630 c N 8.105 126.315 118.600 -0.651 0.000 2.248 630 c HA 0.300 4.870 4.570 0.001 0.000 0.320 630 c C 1.509 174.935 174.090 -1.107 0.000 1.065 630 c CA -0.719 55.220 56.329 -0.650 0.000 1.558 630 c CB -1.056 41.323 42.510 -0.218 0.000 1.787 630 c HN 1.015 nan 8.230 nan 0.000 0.426 631 L N 2.940 123.230 121.223 -1.555 0.000 2.252 631 L HA -0.278 4.063 4.340 0.001 0.000 0.246 631 L C 1.898 178.675 176.870 -0.156 0.000 1.123 631 L CA 2.477 56.738 54.840 -0.965 0.000 0.844 631 L CB -1.036 41.092 42.059 0.114 0.000 0.970 631 L HN 0.676 nan 8.230 nan 0.000 0.440 632 F N -1.092 118.760 119.950 -0.163 0.000 2.546 632 F HA -0.097 4.431 4.527 0.001 0.000 0.298 632 F C 1.191 176.992 175.800 0.002 0.000 1.120 632 F CA -0.057 57.967 58.000 0.041 0.000 1.456 632 F CB -0.228 38.759 39.000 -0.022 0.000 1.088 632 F HN -0.001 nan 8.300 nan 0.000 0.572 633 K N 1.507 121.962 120.400 0.091 0.000 2.339 633 K HA 0.130 4.451 4.320 0.001 0.000 0.286 633 K C 0.264 176.925 176.600 0.101 0.000 1.050 633 K CA 0.132 56.463 56.287 0.074 0.000 0.956 633 K CB 1.018 33.530 32.500 0.020 0.000 0.990 633 K HN 0.031 nan 8.250 nan 0.000 0.475 634 S N 1.256 117.008 115.700 0.087 0.000 2.317 634 S HA 0.135 4.605 4.470 0.001 0.000 0.144 634 S C -0.675 173.968 174.600 0.073 0.000 1.660 634 S CA -0.943 57.303 58.200 0.075 0.000 1.273 634 S CB 0.021 63.257 63.200 0.060 0.000 1.330 634 S HN 0.497 nan 8.310 nan 0.000 0.395 635 E N 2.846 123.088 120.200 0.069 0.000 1.090 635 E HA -0.186 4.164 4.350 0.001 0.000 0.190 635 E C 0.536 177.187 176.600 0.085 0.000 0.811 635 E CA 1.118 57.560 56.400 0.070 0.000 0.491 635 E CB -1.913 27.827 29.700 0.066 0.000 1.029 635 E HN 1.139 nan 8.360 nan 0.000 0.248 636 T N -1.389 113.214 114.554 0.081 0.000 3.151 636 T HA -0.349 4.002 4.350 0.001 0.000 0.438 636 T C 0.519 175.294 174.700 0.126 0.000 0.772 636 T CA 1.710 63.867 62.100 0.095 0.000 2.200 636 T CB -0.559 68.366 68.868 0.095 0.000 1.653 636 T HN 0.648 nan 8.240 nan 0.000 0.581 637 K N 0.361 120.827 120.400 0.110 0.000 2.705 637 K HA 0.151 4.471 4.320 0.001 0.000 0.197 637 K C -0.071 176.591 176.600 0.103 0.000 1.624 637 K CA -0.090 56.264 56.287 0.113 0.000 1.197 637 K CB 0.566 33.123 32.500 0.095 0.000 1.603 637 K HN 0.440 nan 8.250 nan 0.000 0.597 638 N N 1.367 120.124 118.700 0.096 0.000 2.729 638 N HA -0.135 4.605 4.740 0.001 0.000 0.259 638 N C -1.471 174.083 175.510 0.072 0.000 1.119 638 N CA 0.599 53.709 53.050 0.100 0.000 0.679 638 N CB -1.462 37.114 38.487 0.148 0.000 0.892 638 N HN 0.147 nan 8.380 nan 0.000 0.558 639 L N 1.261 122.506 121.223 0.037 0.000 2.282 639 L HA 0.497 4.837 4.340 0.001 0.000 0.288 639 L C 1.842 178.645 176.870 -0.112 0.000 1.033 639 L CA -0.663 54.171 54.840 -0.010 0.000 0.807 639 L CB 0.879 42.927 42.059 -0.020 0.000 1.209 639 L HN 0.373 nan 8.230 nan 0.000 0.423 640 L N 1.571 122.726 121.223 -0.113 0.000 3.730 640 L HA -0.366 3.975 4.340 0.001 0.000 0.053 640 L C 0.172 176.938 176.870 -0.173 0.000 4.266 640 L CA 1.439 56.115 54.840 -0.273 0.000 0.726 640 L CB -1.081 40.535 42.059 -0.739 0.000 3.467 640 L HN 0.371 nan 8.230 nan 0.000 0.870 641 F N -0.024 119.825 119.950 -0.169 0.000 2.411 641 F HA 0.270 4.798 4.527 0.001 0.000 0.324 641 F C 1.241 176.978 175.800 -0.106 0.000 1.086 641 F CA -0.639 57.206 58.000 -0.258 0.000 1.028 641 F CB 0.431 38.949 39.000 -0.803 0.000 1.284 641 F HN 0.163 nan 8.300 nan 0.000 0.501 642 N N 0.039 118.839 118.700 0.166 0.000 2.150 642 N HA -0.073 4.668 4.740 0.001 0.000 0.248 642 N C 0.017 175.611 175.510 0.141 0.000 1.278 642 N CA 0.477 53.611 53.050 0.139 0.000 0.941 642 N CB 0.142 38.688 38.487 0.098 0.000 1.023 642 N HN 0.628 nan 8.380 nan 0.000 0.417 643 D N -1.816 118.661 120.400 0.128 0.000 2.042 643 D HA -0.028 4.613 4.640 0.001 0.000 0.351 643 D C 1.058 177.423 176.300 0.109 0.000 1.053 643 D CA -0.032 54.045 54.000 0.128 0.000 0.903 643 D CB -0.379 40.469 40.800 0.080 0.000 1.749 643 D HN 0.428 nan 8.370 nan 0.000 0.537 644 N N 1.193 119.931 118.700 0.062 0.000 2.216 644 N HA -0.085 4.655 4.740 0.001 0.000 0.183 644 N C -0.038 175.509 175.510 0.061 0.000 1.017 644 N CA 0.915 53.979 53.050 0.025 0.000 0.861 644 N CB -0.099 38.368 38.487 -0.033 0.000 0.986 644 N HN -0.095 nan 8.380 nan 0.000 0.428 645 T N 1.719 116.360 114.554 0.145 0.000 2.819 645 T HA -0.082 4.269 4.350 0.001 0.000 0.282 645 T C 1.225 175.974 174.700 0.082 0.000 1.013 645 T CA 0.470 62.700 62.100 0.218 0.000 1.159 645 T CB 0.704 69.839 68.868 0.446 0.000 1.007 645 T HN 0.509 nan 8.240 nan 0.000 0.514 646 E N 0.711 120.865 120.200 -0.076 0.000 2.431 646 E HA 0.188 4.539 4.350 0.001 0.000 0.200 646 E C 0.746 177.063 176.600 -0.472 0.000 0.995 646 E CA -0.137 56.102 56.400 -0.269 0.000 0.915 646 E CB 0.249 29.853 29.700 -0.159 0.000 0.930 646 E HN 0.821 nan 8.360 nan 0.000 0.496 647 c N -1.005 117.409 118.600 -0.311 0.000 3.216 647 c HA 0.605 5.175 4.570 0.001 0.000 0.346 647 c C -1.553 172.582 174.090 0.075 0.000 1.384 647 c CA -1.361 54.819 56.329 -0.249 0.000 1.208 647 c CB 0.309 42.727 42.510 -0.154 0.000 1.483 647 c HN 0.232 nan 8.230 nan 0.000 0.453 648 L N 1.997 123.304 121.223 0.140 0.000 2.307 648 L HA 0.800 5.141 4.340 0.001 0.000 0.284 648 L C 0.510 177.518 176.870 0.231 0.000 1.023 648 L CA -0.053 54.892 54.840 0.175 0.000 0.810 648 L CB 1.488 43.611 42.059 0.105 0.000 1.231 648 L HN 1.139 nan 8.230 nan 0.000 0.423 649 A N 2.869 125.814 122.820 0.208 0.000 2.435 649 A HA 0.709 5.030 4.320 0.001 0.000 0.296 649 A C -0.504 177.225 177.584 0.242 0.000 1.147 649 A CA -0.729 51.453 52.037 0.242 0.000 0.775 649 A CB 1.211 20.308 19.000 0.161 0.000 1.340 649 A HN 0.695 nan 8.150 nan 0.000 0.427 650 E N -0.349 120.005 120.200 0.257 0.000 2.620 650 E HA 0.423 4.774 4.350 0.001 0.000 0.255 650 E C -0.972 175.748 176.600 0.200 0.000 1.346 650 E CA -0.384 56.151 56.400 0.224 0.000 1.013 650 E CB 0.290 30.117 29.700 0.211 0.000 1.131 650 E HN 0.484 nan 8.360 nan 0.000 0.608 651 L N 1.036 122.370 121.223 0.185 0.000 2.316 651 L HA 0.202 4.542 4.340 0.001 0.000 0.280 651 L C -0.039 176.894 176.870 0.105 0.000 1.006 651 L CA -0.947 54.001 54.840 0.179 0.000 0.836 651 L CB 1.112 43.331 42.059 0.268 0.000 1.221 651 L HN 0.142 nan 8.230 nan 0.000 0.418 652 Q N 3.399 123.237 119.800 0.063 0.000 2.493 652 Q HA 0.007 4.347 4.340 0.001 0.000 0.252 652 Q C 1.225 177.241 176.000 0.027 0.000 1.343 652 Q CA 0.778 56.603 55.803 0.037 0.000 0.894 652 Q CB -0.188 28.558 28.738 0.013 0.000 1.600 652 Q HN 1.008 nan 8.270 nan 0.000 0.533 653 G N 2.617 111.441 108.800 0.040 0.000 2.305 653 G HA2 -0.310 3.651 3.960 0.001 0.000 0.287 653 G HA3 -0.310 3.651 3.960 0.001 0.000 0.287 653 G C -0.229 174.689 174.900 0.030 0.000 1.036 653 G CA 0.682 45.801 45.100 0.031 0.000 0.887 653 G HN 0.584 nan 8.290 nan 0.000 0.505 654 K N -1.523 118.910 120.400 0.055 0.000 2.731 654 K HA 0.580 4.901 4.320 0.001 0.000 0.257 654 K C 0.122 176.803 176.600 0.134 0.000 1.032 654 K CA -0.441 55.887 56.287 0.068 0.000 0.983 654 K CB 1.135 33.658 32.500 0.039 0.000 1.248 654 K HN 0.042 nan 8.250 nan 0.000 0.484 655 T N -0.438 114.175 114.554 0.098 0.000 3.003 655 T HA 0.049 4.400 4.350 0.001 0.000 0.261 655 T C 0.473 175.224 174.700 0.086 0.000 1.003 655 T CA 0.075 62.238 62.100 0.105 0.000 0.917 655 T CB 0.361 69.272 68.868 0.071 0.000 1.084 655 T HN 0.594 nan 8.240 nan 0.000 0.522 656 T N 1.849 116.434 114.554 0.052 0.000 2.899 656 T HA 0.292 4.643 4.350 0.001 0.000 0.284 656 T C 0.985 175.700 174.700 0.025 0.000 1.004 656 T CA -0.722 61.376 62.100 -0.003 0.000 1.043 656 T CB 0.669 69.459 68.868 -0.130 0.000 1.013 656 T HN 0.406 nan 8.240 nan 0.000 0.518 657 Y N -0.513 119.779 120.300 -0.014 0.000 2.516 657 Y HA 0.219 4.770 4.550 0.001 0.000 0.291 657 Y C 1.766 177.661 175.900 -0.009 0.000 1.131 657 Y CA 0.494 58.583 58.100 -0.018 0.000 1.281 657 Y CB -0.581 37.816 38.460 -0.105 0.000 1.013 657 Y HN 0.553 nan 8.280 nan 0.000 0.554 658 E N 0.620 120.473 120.200 -0.579 0.000 2.170 658 E HA -0.089 4.262 4.350 0.001 0.000 0.191 658 E C 2.044 178.563 176.600 -0.135 0.000 0.981 658 E CA 0.959 57.119 56.400 -0.400 0.000 0.830 658 E CB -0.040 29.365 29.700 -0.492 0.000 0.775 658 E HN 0.609 nan 8.360 nan 0.000 0.470 659 Q N -0.832 118.914 119.800 -0.090 0.000 2.062 659 Q HA -0.093 4.247 4.340 0.001 0.000 0.196 659 Q C 1.716 177.748 176.000 0.053 0.000 0.967 659 Q CA 0.995 56.789 55.803 -0.014 0.000 0.832 659 Q CB -0.102 28.632 28.738 -0.006 0.000 0.899 659 Q HN 0.340 nan 8.270 nan 0.000 0.442 660 Y N 0.979 121.286 120.300 0.011 0.000 2.145 660 Y HA -0.190 4.360 4.550 0.001 0.000 0.286 660 Y C 1.702 177.651 175.900 0.083 0.000 1.145 660 Y CA 1.428 59.561 58.100 0.056 0.000 1.148 660 Y CB 0.123 38.630 38.460 0.080 0.000 0.981 660 Y HN 0.016 nan 8.280 nan 0.000 0.507 661 L N -0.095 121.337 121.223 0.348 0.000 2.492 661 L HA 0.222 4.563 4.340 0.001 0.000 0.223 661 L C 0.969 177.962 176.870 0.205 0.000 1.132 661 L CA 0.321 55.354 54.840 0.321 0.000 0.850 661 L CB -0.963 41.251 42.059 0.257 0.000 0.966 661 L HN 0.374 nan 8.230 nan 0.000 0.454 662 G N 0.192 109.053 108.800 0.102 0.000 2.764 662 G HA2 -0.244 3.717 3.960 0.001 0.000 0.686 662 G HA3 -0.244 3.717 3.960 0.001 0.000 0.686 662 G C 0.715 175.660 174.900 0.075 0.000 1.258 662 G CA -0.073 45.063 45.100 0.061 0.000 0.846 662 G HN 0.254 nan 8.290 nan 0.000 0.596 663 S N 0.265 115.985 115.700 0.033 0.000 2.423 663 S HA -0.239 4.232 4.470 0.001 0.000 0.238 663 S C 1.910 176.554 174.600 0.074 0.000 1.028 663 S CA 2.287 60.506 58.200 0.032 0.000 1.000 663 S CB -0.383 62.823 63.200 0.010 0.000 0.797 663 S HN 1.178 nan 8.310 nan 0.000 0.487 664 E N 0.454 120.708 120.200 0.089 0.000 2.008 664 E HA -0.207 4.144 4.350 0.001 0.000 0.191 664 E C 2.031 178.748 176.600 0.195 0.000 0.986 664 E CA 1.078 57.542 56.400 0.106 0.000 0.807 664 E CB -0.814 28.926 29.700 0.068 0.000 0.766 664 E HN 0.431 nan 8.360 nan 0.000 0.450 665 Y N 2.709 123.040 120.300 0.051 0.000 2.081 665 Y HA -0.233 4.317 4.550 0.001 0.000 0.280 665 Y C 2.216 178.190 175.900 0.124 0.000 1.163 665 Y CA 0.976 59.121 58.100 0.076 0.000 1.135 665 Y CB -0.733 37.778 38.460 0.085 0.000 0.970 665 Y HN -0.085 nan 8.280 nan 0.000 0.498 666 V N 0.048 120.116 119.914 0.256 0.000 2.276 666 V HA -0.303 3.818 4.120 0.001 0.000 0.224 666 V C 0.966 177.185 176.094 0.209 0.000 0.988 666 V CA 2.038 64.447 62.300 0.183 0.000 1.003 666 V CB -1.525 30.351 31.823 0.088 0.000 0.653 666 V HN 0.344 nan 8.190 nan 0.000 0.478 667 T N 0.821 115.461 114.554 0.144 0.000 2.666 667 T HA 0.241 4.592 4.350 0.001 0.000 0.265 667 T C 0.746 175.526 174.700 0.135 0.000 1.009 667 T CA 1.119 63.294 62.100 0.125 0.000 1.238 667 T CB 0.127 69.041 68.868 0.078 0.000 0.969 667 T HN 0.834 nan 8.240 nan 0.000 0.515 668 S N 2.499 118.279 115.700 0.133 0.000 7.246 668 S HA -0.143 4.328 4.470 0.001 0.000 0.045 668 S C 1.241 175.896 174.600 0.091 0.000 1.473 668 S CA 0.114 58.383 58.200 0.114 0.000 1.050 668 S CB -0.956 62.343 63.200 0.166 0.000 1.094 668 S HN 0.396 nan 8.310 nan 0.000 0.535 669 I N 3.855 124.496 120.570 0.119 0.000 2.423 669 I HA -0.064 4.107 4.170 0.001 0.000 0.254 669 I C 2.832 178.912 176.117 -0.062 0.000 1.151 669 I CA 2.417 63.707 61.300 -0.015 0.000 1.421 669 I CB -2.379 35.519 38.000 -0.170 0.000 1.079 669 I HN 0.856 nan 8.210 nan 0.000 0.431 670 T N -1.550 113.068 114.554 0.107 0.000 2.770 670 T HA -0.131 4.219 4.350 0.001 0.000 0.263 670 T C 1.686 176.395 174.700 0.015 0.000 1.039 670 T CA 1.442 63.617 62.100 0.124 0.000 1.142 670 T CB -0.837 68.144 68.868 0.190 0.000 0.868 670 T HN 0.394 nan 8.240 nan 0.000 0.435 671 N N 0.910 119.604 118.700 -0.009 0.000 2.205 671 N HA 0.016 4.756 4.740 0.001 0.000 0.186 671 N C 1.863 177.261 175.510 -0.186 0.000 1.015 671 N CA 1.041 54.025 53.050 -0.110 0.000 0.862 671 N CB -0.276 38.142 38.487 -0.114 0.000 0.986 671 N HN 0.338 nan 8.380 nan 0.000 0.429 672 L N 0.507 121.680 121.223 -0.083 0.000 2.313 672 L HA -0.007 4.333 4.340 0.001 0.000 0.214 672 L C 2.418 179.309 176.870 0.035 0.000 1.119 672 L CA 0.422 55.263 54.840 0.003 0.000 0.809 672 L CB -0.011 42.099 42.059 0.085 0.000 0.933 672 L HN 0.126 nan 8.230 nan 0.000 0.449 673 R N 0.760 121.244 120.500 -0.026 0.000 2.297 673 R HA -0.064 4.277 4.340 0.001 0.000 0.197 673 R C 2.216 178.511 176.300 -0.007 0.000 0.943 673 R CA 0.264 56.354 56.100 -0.017 0.000 1.038 673 R CB 0.133 30.397 30.300 -0.061 0.000 0.957 673 R HN 0.383 nan 8.270 nan 0.000 0.484 674 R N -0.542 119.934 120.500 -0.038 0.000 2.152 674 R HA -0.096 4.244 4.340 0.001 0.000 0.232 674 R C 1.524 177.813 176.300 -0.018 0.000 1.117 674 R CA 1.904 57.981 56.100 -0.039 0.000 0.981 674 R CB -0.566 29.681 30.300 -0.089 0.000 0.870 674 R HN 0.148 nan 8.270 nan 0.000 0.451 675 c N -0.684 117.911 118.600 -0.008 0.000 3.593 675 c HA 0.214 4.784 4.570 0.001 0.000 0.284 675 c C 1.483 175.602 174.090 0.048 0.000 1.414 675 c CA 0.005 56.348 56.329 0.024 0.000 1.674 675 c CB -0.492 42.038 42.510 0.034 0.000 2.104 675 c HN 0.498 nan 8.230 nan 0.000 0.604 676 S N 1.833 117.590 115.700 0.094 0.000 2.465 676 S HA 0.271 4.742 4.470 0.001 0.000 0.280 676 S C -0.172 174.460 174.600 0.053 0.000 1.232 676 S CA 0.089 58.348 58.200 0.098 0.000 1.066 676 S CB -0.143 63.161 63.200 0.173 0.000 0.929 676 S HN 0.513 nan 8.310 nan 0.000 0.494 677 S N 3.629 119.350 115.700 0.035 0.000 2.451 677 S HA 0.442 4.913 4.470 0.001 0.000 0.301 677 S C -0.215 174.394 174.600 0.015 0.000 1.116 677 S CA -0.614 57.598 58.200 0.020 0.000 1.093 677 S CB 1.577 64.788 63.200 0.018 0.000 1.017 677 S HN 0.768 nan 8.310 nan 0.000 0.482 678 S N 3.660 119.366 115.700 0.011 0.000 2.562 678 S HA 0.438 4.908 4.470 0.001 0.000 0.275 678 S C -1.563 173.044 174.600 0.012 0.000 1.281 678 S CA -1.674 56.533 58.200 0.012 0.000 1.045 678 S CB 0.771 63.982 63.200 0.019 0.000 0.962 678 S HN 0.468 nan 8.310 nan 0.000 0.503 679 P HA -0.013 nan 4.420 nan 0.000 0.215 679 P C 1.845 179.149 177.300 0.008 0.000 1.160 679 P CA 0.504 63.604 63.100 0.000 0.000 0.869 679 P CB -0.108 31.586 31.700 -0.010 0.000 0.782 680 L N -0.489 120.736 121.223 0.003 0.000 2.013 680 L HA -0.184 4.156 4.340 0.001 0.000 0.212 680 L C 2.722 179.601 176.870 0.015 0.000 1.073 680 L CA 1.539 56.381 54.840 0.002 0.000 0.753 680 L CB -0.988 41.065 42.059 -0.010 0.000 0.890 680 L HN -0.146 nan 8.230 nan 0.000 0.432 681 L N -0.633 120.605 121.223 0.025 0.000 1.994 681 L HA -0.268 4.073 4.340 0.001 0.000 0.208 681 L C 2.480 179.373 176.870 0.038 0.000 1.071 681 L CA 1.923 56.784 54.840 0.035 0.000 0.745 681 L CB -0.595 41.494 42.059 0.050 0.000 0.892 681 L HN 0.317 nan 8.230 nan 0.000 0.431 682 E N -0.165 120.057 120.200 0.037 0.000 2.086 682 E HA -0.362 3.988 4.350 0.001 0.000 0.205 682 E C 2.049 178.692 176.600 0.071 0.000 1.027 682 E CA 1.643 58.069 56.400 0.044 0.000 0.830 682 E CB -0.321 29.392 29.700 0.022 0.000 0.751 682 E HN 0.723 nan 8.360 nan 0.000 0.456 683 A N 0.943 123.801 122.820 0.063 0.000 1.842 683 A HA -0.287 4.034 4.320 0.001 0.000 0.217 683 A C 2.609 180.258 177.584 0.107 0.000 1.206 683 A CA 1.958 54.056 52.037 0.103 0.000 0.630 683 A CB -1.325 17.714 19.000 0.066 0.000 0.839 683 A HN 0.516 nan 8.150 nan 0.000 0.447 684 c N -1.045 117.579 118.600 0.039 0.000 2.375 684 c HA -0.160 4.410 4.570 0.001 0.000 0.274 684 c C 3.307 177.398 174.090 0.000 0.000 1.190 684 c CA 1.224 57.550 56.329 -0.006 0.000 1.775 684 c CB -1.702 40.792 42.510 -0.026 0.000 2.067 684 c HN 0.734 nan 8.230 nan 0.000 0.463 685 A N -0.381 122.463 122.820 0.041 0.000 1.958 685 A HA -0.261 4.059 4.320 0.001 0.000 0.221 685 A C 1.928 179.567 177.584 0.093 0.000 1.178 685 A CA 2.315 54.385 52.037 0.055 0.000 0.642 685 A CB -0.789 18.255 19.000 0.074 0.000 0.816 685 A HN 0.655 nan 8.150 nan 0.000 0.453 686 F N 0.058 119.996 119.950 -0.019 0.000 2.219 686 F HA 0.079 4.607 4.527 0.001 0.000 0.294 686 F C 1.791 177.567 175.800 -0.040 0.000 1.086 686 F CA 1.050 59.039 58.000 -0.017 0.000 1.330 686 F CB -0.461 38.537 39.000 -0.003 0.000 1.047 686 F HN 0.116 nan 8.300 nan 0.000 0.495 687 L N 0.330 121.340 121.223 -0.354 0.000 1.989 687 L HA -0.228 4.113 4.340 0.001 0.000 0.211 687 L C 2.783 179.415 176.870 -0.397 0.000 1.071 687 L CA 1.370 55.903 54.840 -0.512 0.000 0.749 687 L CB -0.740 41.174 42.059 -0.242 0.000 0.890 687 L HN 0.018 nan 8.230 nan 0.000 0.431 688 R N 0.367 120.732 120.500 -0.225 0.000 2.120 688 R HA 0.021 4.362 4.340 0.001 0.000 0.234 688 R C 1.202 177.405 176.300 -0.163 0.000 1.123 688 R CA 0.810 56.809 56.100 -0.169 0.000 0.975 688 R CB -0.949 29.290 30.300 -0.102 0.000 0.866 688 R HN 0.362 nan 8.270 nan 0.000 0.446 689 A N 0.000 122.725 122.820 -0.158 0.000 2.254 689 A HA 0.000 4.321 4.320 0.001 0.000 0.244 689 A CA 0.000 51.971 52.037 -0.109 0.000 0.836 689 A CB 0.000 18.964 19.000 -0.059 0.000 0.831 689 A HN 0.000 nan 8.150 nan 0.000 0.486