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 1f9b_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 NKSSAFQLFK STPEEQDLLF 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 0.000 177.581 177.584 -0.005 0.000 1.274 1 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 2 P HA 0.663 nan 4.420 nan 0.000 0.272 2 P C -0.474 176.823 177.300 -0.005 0.000 1.240 2 P CA 0.078 63.174 63.100 -0.006 0.000 0.791 2 P CB 0.355 32.050 31.700 -0.008 0.000 0.978 3 R N 0.954 121.451 120.500 -0.005 0.000 2.574 3 R HA 0.321 4.669 4.340 0.013 0.000 0.288 3 R C 0.138 176.436 176.300 -0.003 0.000 1.004 3 R CA -0.657 55.442 56.100 -0.002 0.000 0.895 3 R CB 1.044 31.345 30.300 0.001 0.000 1.191 3 R HN 0.275 nan 8.270 nan 0.000 0.444 4 K N 0.524 120.923 120.400 -0.002 0.000 2.797 4 K HA 0.173 4.501 4.320 0.013 0.000 0.307 4 K C -0.046 176.554 176.600 -0.000 0.000 1.072 4 K CA 0.285 56.571 56.287 -0.003 0.000 0.981 4 K CB 0.094 32.593 32.500 -0.001 0.000 1.078 4 K HN 0.794 nan 8.250 nan 0.000 0.459 5 S N -0.653 115.049 115.700 0.002 0.000 2.608 5 S HA 0.349 4.827 4.470 0.013 0.000 0.291 5 S C -0.233 174.388 174.600 0.034 0.000 1.146 5 S CA -0.999 57.206 58.200 0.008 0.000 1.043 5 S CB 1.585 64.782 63.200 -0.005 0.000 1.037 5 S HN 0.162 nan 8.310 nan 0.000 0.520 6 V N 2.810 122.764 119.914 0.068 0.000 2.432 6 V HA 0.325 4.452 4.120 0.013 0.000 0.271 6 V C 0.486 176.671 176.094 0.152 0.000 1.046 6 V CA -0.476 61.895 62.300 0.120 0.000 0.945 6 V CB 0.414 32.369 31.823 0.219 0.000 0.992 6 V HN 0.823 nan 8.190 nan 0.000 0.471 7 R N 4.876 125.435 120.500 0.098 0.000 2.220 7 R HA 0.186 4.533 4.340 0.013 0.000 0.340 7 R C -0.492 175.882 176.300 0.122 0.000 1.076 7 R CA -0.215 55.945 56.100 0.099 0.000 0.920 7 R CB 0.707 31.028 30.300 0.035 0.000 1.062 7 R HN 0.691 nan 8.270 nan 0.000 0.469 8 W N 4.776 126.089 121.300 0.022 0.000 2.351 8 W HA 0.193 4.861 4.660 0.012 0.000 0.311 8 W C -0.253 176.275 176.519 0.016 0.000 1.168 8 W CA -0.937 56.430 57.345 0.038 0.000 1.200 8 W CB 1.382 30.893 29.460 0.084 0.000 1.221 8 W HN 0.467 nan 8.180 nan 0.000 0.519 9 c N 6.258 124.838 118.600 -0.033 0.000 2.452 9 c HA 0.604 5.182 4.570 0.013 0.000 0.379 9 c C 0.700 174.859 174.090 0.115 0.000 1.275 9 c CA 0.155 56.490 56.329 0.011 0.000 2.056 9 c CB -0.220 42.236 42.510 -0.088 0.000 2.506 9 c HN 0.663 nan 8.230 nan 0.000 0.560 10 T N 3.646 118.263 114.554 0.105 0.000 2.932 10 T HA 0.488 4.846 4.350 0.013 0.000 0.289 10 T C 0.553 175.275 174.700 0.037 0.000 1.039 10 T CA -0.623 61.538 62.100 0.102 0.000 1.024 10 T CB 1.397 70.330 68.868 0.108 0.000 1.090 10 T HN 0.865 nan 8.240 nan 0.000 0.496 11 I N -1.043 119.538 120.570 0.017 0.000 4.139 11 I HA 0.372 4.550 4.170 0.013 0.000 0.335 11 I C 0.002 176.088 176.117 -0.050 0.000 1.327 11 I CA -0.407 60.877 61.300 -0.027 0.000 1.112 11 I CB 0.326 38.293 38.000 -0.055 0.000 1.058 11 I HN 0.723 nan 8.210 nan 0.000 0.396 12 S N -0.781 114.902 115.700 -0.028 0.000 2.565 12 S HA 0.533 5.011 4.470 0.013 0.000 0.269 12 S C -2.508 172.088 174.600 -0.008 0.000 1.153 12 S CA -0.888 57.289 58.200 -0.037 0.000 0.835 12 S CB 1.606 64.767 63.200 -0.065 0.000 1.122 12 S HN -0.226 nan 8.310 nan 0.000 0.462 13 P HA -0.145 nan 4.420 nan 0.000 0.216 13 P C 1.698 179.006 177.300 0.013 0.000 1.157 13 P CA 2.584 65.685 63.100 0.003 0.000 0.880 13 P CB -0.193 31.506 31.700 -0.003 0.000 0.791 14 A N -0.543 122.285 122.820 0.014 0.000 1.940 14 A HA -0.274 4.054 4.320 0.013 0.000 0.219 14 A C 2.279 179.885 177.584 0.037 0.000 1.176 14 A CA 1.930 53.982 52.037 0.026 0.000 0.631 14 A CB -1.272 17.745 19.000 0.030 0.000 0.814 14 A HN 0.208 nan 8.150 nan 0.000 0.446 15 E N -0.556 119.666 120.200 0.036 0.000 2.107 15 E HA -0.022 4.336 4.350 0.013 0.000 0.191 15 E C 2.227 178.860 176.600 0.055 0.000 0.982 15 E CA 0.728 57.157 56.400 0.049 0.000 0.809 15 E CB -0.202 29.527 29.700 0.049 0.000 0.756 15 E HN 0.587 nan 8.360 nan 0.000 0.459 16 A N 1.347 124.194 122.820 0.045 0.000 1.858 16 A HA -0.178 4.150 4.320 0.013 0.000 0.216 16 A C 2.416 180.026 177.584 0.043 0.000 1.190 16 A CA 1.907 53.971 52.037 0.046 0.000 0.617 16 A CB -0.972 18.047 19.000 0.031 0.000 0.827 16 A HN 0.379 nan 8.150 nan 0.000 0.443 17 A N 0.053 122.895 122.820 0.036 0.000 1.892 17 A HA -0.277 4.051 4.320 0.013 0.000 0.218 17 A C 2.149 179.765 177.584 0.053 0.000 1.188 17 A CA 2.523 54.581 52.037 0.034 0.000 0.631 17 A CB -0.592 18.426 19.000 0.030 0.000 0.822 17 A HN 0.638 nan 8.150 nan 0.000 0.447 18 K N -0.793 119.650 120.400 0.072 0.000 2.026 18 K HA -0.195 4.133 4.320 0.013 0.000 0.208 18 K C 2.142 178.828 176.600 0.143 0.000 1.048 18 K CA 1.673 58.031 56.287 0.119 0.000 0.929 18 K CB -0.692 31.871 32.500 0.105 0.000 0.713 18 K HN 0.493 nan 8.250 nan 0.000 0.439 19 c N 0.677 119.341 118.600 0.106 0.000 2.393 19 c HA -0.102 4.476 4.570 0.013 0.000 0.276 19 c C 2.860 176.985 174.090 0.058 0.000 1.215 19 c CA 1.418 57.816 56.329 0.115 0.000 1.743 19 c CB -1.228 41.339 42.510 0.096 0.000 2.044 19 c HN 0.660 nan 8.230 nan 0.000 0.464 20 A N -0.165 122.667 122.820 0.020 0.000 1.917 20 A HA -0.267 4.061 4.320 0.013 0.000 0.219 20 A C 2.174 179.710 177.584 -0.079 0.000 1.182 20 A CA 2.352 54.371 52.037 -0.030 0.000 0.633 20 A CB -0.752 18.240 19.000 -0.015 0.000 0.819 20 A HN 0.753 nan 8.150 nan 0.000 0.448 21 K N -1.675 118.696 120.400 -0.048 0.000 2.097 21 K HA -0.136 4.192 4.320 0.013 0.000 0.206 21 K C 1.692 178.011 176.600 -0.468 0.000 1.049 21 K CA 1.565 57.774 56.287 -0.129 0.000 0.933 21 K CB -0.338 32.209 32.500 0.078 0.000 0.717 21 K HN 0.411 nan 8.250 nan 0.000 0.442 22 F N 1.817 121.385 119.950 -0.636 0.000 2.186 22 F HA -0.125 4.409 4.527 0.011 0.000 0.299 22 F C 2.240 177.733 175.800 -0.511 0.000 1.090 22 F CA 1.709 59.175 58.000 -0.889 0.000 1.307 22 F CB -0.626 38.159 39.000 -0.359 0.000 1.019 22 F HN 0.179 nan 8.300 nan 0.000 0.489 23 Q N 0.094 119.654 119.800 -0.400 0.000 2.172 23 Q HA -0.171 4.176 4.340 0.013 0.000 0.200 23 Q C 2.503 178.334 176.000 -0.280 0.000 0.964 23 Q CA 1.330 56.909 55.803 -0.374 0.000 0.855 23 Q CB -0.288 28.320 28.738 -0.218 0.000 0.918 23 Q HN 0.413 nan 8.270 nan 0.000 0.444 24 R N -0.000 120.348 120.500 -0.253 0.000 2.061 24 R HA -0.101 4.247 4.340 0.013 0.000 0.230 24 R C 1.491 177.663 176.300 -0.213 0.000 1.140 24 R CA 1.912 57.895 56.100 -0.195 0.000 0.940 24 R CB -0.113 30.084 30.300 -0.171 0.000 0.839 24 R HN 0.356 nan 8.270 nan 0.000 0.429 25 N N -0.159 118.331 118.700 -0.350 0.000 2.453 25 N HA -0.123 4.625 4.740 0.013 0.000 0.183 25 N C 1.370 176.881 175.510 0.003 0.000 1.041 25 N CA 0.894 53.769 53.050 -0.292 0.000 0.900 25 N CB -0.016 38.008 38.487 -0.771 0.000 0.961 25 N HN 0.130 nan 8.380 nan 0.000 0.443 26 M N 0.763 120.300 119.600 -0.105 0.000 2.123 26 M HA -0.017 4.471 4.480 0.013 0.000 0.263 26 M C 1.842 178.114 176.300 -0.046 0.000 1.069 26 M CA 1.453 56.730 55.300 -0.039 0.000 1.133 26 M CB -0.233 32.181 32.600 -0.311 0.000 1.356 26 M HN -0.006 nan 8.290 nan 0.000 0.415 27 K N -0.520 119.826 120.400 -0.090 0.000 2.288 27 K HA -0.157 4.171 4.320 0.013 0.000 0.201 27 K C 1.992 178.572 176.600 -0.032 0.000 1.048 27 K CA 1.040 57.289 56.287 -0.065 0.000 0.956 27 K CB -0.068 32.385 32.500 -0.079 0.000 0.746 27 K HN 0.259 nan 8.250 nan 0.000 0.461 28 K N 0.576 120.964 120.400 -0.019 0.000 2.296 28 K HA -0.000 4.327 4.320 0.013 0.000 0.200 28 K C 1.077 177.697 176.600 0.033 0.000 1.048 28 K CA 0.623 56.912 56.287 0.003 0.000 0.966 28 K CB 0.436 32.935 32.500 -0.001 0.000 0.754 28 K HN 0.015 nan 8.250 nan 0.000 0.466 29 V N 0.927 120.875 119.914 0.056 0.000 3.621 29 V HA 0.117 4.244 4.120 0.013 0.000 0.285 29 V C -0.068 176.028 176.094 0.004 0.000 1.346 29 V CA -0.067 62.263 62.300 0.050 0.000 1.104 29 V CB -0.617 31.258 31.823 0.086 0.000 0.913 29 V HN 0.369 nan 8.190 nan 0.000 0.432 30 R N 0.664 121.160 120.500 -0.006 0.000 3.264 30 R HA -0.157 4.191 4.340 0.013 0.000 0.251 30 R C 0.543 176.825 176.300 -0.031 0.000 0.971 30 R CA 0.646 56.733 56.100 -0.021 0.000 0.658 30 R CB -1.532 28.758 30.300 -0.017 0.000 1.095 30 R HN 0.629 nan 8.270 nan 0.000 0.443 31 G N 0.044 108.821 108.800 -0.039 0.000 2.788 31 G HA2 0.679 4.647 3.960 0.013 0.000 0.293 31 G HA3 0.679 4.647 3.960 0.013 0.000 0.293 31 G C -2.550 172.313 174.900 -0.062 0.000 1.305 31 G CA -1.534 43.536 45.100 -0.051 0.000 1.005 31 G HN -0.065 nan 8.290 nan 0.000 0.496 32 P HA 0.095 nan 4.420 nan 0.000 0.261 32 P C 0.175 177.413 177.300 -0.104 0.000 1.173 32 P CA 0.171 63.232 63.100 -0.066 0.000 0.760 32 P CB 0.559 32.228 31.700 -0.050 0.000 0.783 33 S N 1.825 117.472 115.700 -0.088 0.000 2.586 33 S HA 0.583 5.061 4.470 0.013 0.000 0.274 33 S C 0.098 174.631 174.600 -0.112 0.000 1.281 33 S CA -0.680 57.449 58.200 -0.118 0.000 1.035 33 S CB 0.751 63.903 63.200 -0.080 0.000 0.962 33 S HN 0.209 nan 8.310 nan 0.000 0.512 34 V N 0.080 119.893 119.914 -0.169 0.000 3.181 34 V HA 0.921 5.049 4.120 0.013 0.000 0.314 34 V C 0.170 176.229 176.094 -0.060 0.000 1.173 34 V CA -0.942 61.294 62.300 -0.106 0.000 1.052 34 V CB 1.530 33.199 31.823 -0.257 0.000 1.123 34 V HN 0.989 nan 8.190 nan 0.000 0.454 35 S N -1.073 114.641 115.700 0.023 0.000 2.579 35 S HA 0.665 5.143 4.470 0.013 0.000 0.272 35 S C -1.419 173.231 174.600 0.083 0.000 1.141 35 S CA -0.387 57.829 58.200 0.026 0.000 0.843 35 S CB 1.645 64.863 63.200 0.029 0.000 1.122 35 S HN 0.932 nan 8.310 nan 0.000 0.468 36 c N 4.129 122.768 118.600 0.064 0.000 2.346 36 c HA 0.644 5.222 4.570 0.013 0.000 0.326 36 c C -0.443 173.689 174.090 0.070 0.000 1.224 36 c CA -1.066 55.322 56.329 0.098 0.000 1.408 36 c CB -0.288 42.272 42.510 0.084 0.000 2.089 36 c HN 0.694 nan 8.230 nan 0.000 0.456 37 I N 2.796 123.413 120.570 0.078 0.000 2.664 37 I HA 0.516 4.694 4.170 0.013 0.000 0.308 37 I C 0.473 176.616 176.117 0.042 0.000 0.984 37 I CA -0.414 60.912 61.300 0.044 0.000 1.213 37 I CB 0.810 38.826 38.000 0.028 0.000 1.379 37 I HN 0.558 nan 8.210 nan 0.000 0.501 38 R N 3.946 124.461 120.500 0.024 0.000 2.388 38 R HA 0.426 4.774 4.340 0.013 0.000 0.314 38 R C -0.604 175.700 176.300 0.007 0.000 0.959 38 R CA -0.803 55.308 56.100 0.019 0.000 0.851 38 R CB 1.982 32.291 30.300 0.015 0.000 1.168 38 R HN 0.464 nan 8.270 nan 0.000 0.472 39 K N 0.258 120.659 120.400 0.002 0.000 2.331 39 K HA 0.318 4.646 4.320 0.013 0.000 0.238 39 K C 1.022 177.614 176.600 -0.014 0.000 1.058 39 K CA -0.539 55.744 56.287 -0.006 0.000 0.871 39 K CB 1.669 34.163 32.500 -0.010 0.000 1.292 39 K HN 0.485 nan 8.250 nan 0.000 0.470 40 T N -2.931 111.613 114.554 -0.016 0.000 3.054 40 T HA 0.142 4.499 4.350 0.013 0.000 0.255 40 T C 0.243 174.915 174.700 -0.046 0.000 1.035 40 T CA 0.282 62.362 62.100 -0.033 0.000 0.941 40 T CB -0.022 68.828 68.868 -0.029 0.000 1.026 40 T HN 0.520 nan 8.240 nan 0.000 0.533 41 S N -0.943 114.744 115.700 -0.022 0.000 2.587 41 S HA 0.481 4.959 4.470 0.013 0.000 0.269 41 S C 0.599 175.187 174.600 -0.019 0.000 1.154 41 S CA -0.224 57.969 58.200 -0.012 0.000 0.824 41 S CB 1.248 64.503 63.200 0.091 0.000 1.118 41 S HN -0.010 nan 8.310 nan 0.000 0.462 42 S N 0.383 116.037 115.700 -0.077 0.000 2.399 42 S HA 0.004 4.482 4.470 0.013 0.000 0.231 42 S C 1.190 175.660 174.600 -0.217 0.000 1.022 42 S CA 1.409 59.505 58.200 -0.173 0.000 0.983 42 S CB -0.755 62.297 63.200 -0.247 0.000 0.803 42 S HN 0.605 nan 8.310 nan 0.000 0.480 43 F N 1.746 121.648 119.950 -0.079 0.000 2.216 43 F HA -0.026 4.508 4.527 0.012 0.000 0.300 43 F C 2.490 178.194 175.800 -0.160 0.000 1.085 43 F CA 0.860 58.782 58.000 -0.129 0.000 1.326 43 F CB -0.406 38.540 39.000 -0.090 0.000 1.027 43 F HN 0.219 nan 8.300 nan 0.000 0.497 44 E N -0.854 119.397 120.200 0.085 0.000 2.152 44 E HA -0.164 4.194 4.350 0.013 0.000 0.192 44 E C 2.173 178.750 176.600 -0.039 0.000 0.983 44 E CA 1.002 57.412 56.400 0.017 0.000 0.818 44 E CB -0.160 29.554 29.700 0.024 0.000 0.758 44 E HN 0.375 nan 8.360 nan 0.000 0.467 45 c N 0.262 118.822 118.600 -0.068 0.000 2.450 45 c HA -0.018 4.559 4.570 0.013 0.000 0.279 45 c C 2.461 176.470 174.090 -0.135 0.000 1.335 45 c CA 0.003 56.274 56.329 -0.096 0.000 1.749 45 c CB -0.667 41.777 42.510 -0.111 0.000 1.963 45 c HN 0.443 nan 8.230 nan 0.000 0.501 46 I N 0.719 121.179 120.570 -0.183 0.000 2.127 46 I HA -0.324 3.854 4.170 0.013 0.000 0.241 46 I C 2.732 178.684 176.117 -0.274 0.000 1.075 46 I CA 1.760 62.892 61.300 -0.279 0.000 1.334 46 I CB -0.562 37.182 38.000 -0.426 0.000 1.040 46 I HN 0.485 nan 8.210 nan 0.000 0.405 47 Q N 0.356 120.010 119.800 -0.245 0.000 2.030 47 Q HA -0.224 4.124 4.340 0.013 0.000 0.204 47 Q C 2.427 178.431 176.000 0.006 0.000 0.986 47 Q CA 1.878 57.655 55.803 -0.043 0.000 0.843 47 Q CB -0.370 28.384 28.738 0.027 0.000 0.904 47 Q HN 0.587 nan 8.270 nan 0.000 0.420 48 A N 0.850 123.655 122.820 -0.026 0.000 1.940 48 A HA -0.197 4.131 4.320 0.013 0.000 0.219 48 A C 2.015 179.579 177.584 -0.033 0.000 1.176 48 A CA 1.274 53.298 52.037 -0.022 0.000 0.631 48 A CB -0.649 18.332 19.000 -0.032 0.000 0.814 48 A HN 0.324 nan 8.150 nan 0.000 0.446 49 I N -0.730 119.804 120.570 -0.060 0.000 2.233 49 I HA -0.201 3.977 4.170 0.013 0.000 0.243 49 I C 2.948 179.048 176.117 -0.028 0.000 1.093 49 I CA 0.969 62.228 61.300 -0.068 0.000 1.380 49 I CB -0.420 37.513 38.000 -0.112 0.000 1.067 49 I HN 0.355 nan 8.210 nan 0.000 0.413 50 A N 0.734 123.562 122.820 0.013 0.000 2.019 50 A HA -0.079 4.249 4.320 0.013 0.000 0.219 50 A C 2.205 179.810 177.584 0.036 0.000 1.164 50 A CA 1.676 53.747 52.037 0.057 0.000 0.644 50 A CB -0.560 18.562 19.000 0.204 0.000 0.805 50 A HN 0.438 nan 8.150 nan 0.000 0.449 51 A N -1.385 121.456 122.820 0.035 0.000 2.302 51 A HA 0.312 4.640 4.320 0.013 0.000 0.219 51 A C 0.762 178.348 177.584 0.003 0.000 1.243 51 A CA 0.507 52.556 52.037 0.021 0.000 0.856 51 A CB -0.977 18.042 19.000 0.030 0.000 0.893 51 A HN 0.688 nan 8.150 nan 0.000 0.491 52 N N -1.881 116.816 118.700 -0.006 0.000 2.725 52 N HA -0.198 4.550 4.740 0.013 0.000 0.249 52 N C 1.129 176.632 175.510 -0.012 0.000 1.103 52 N CA 1.006 54.048 53.050 -0.013 0.000 0.707 52 N CB -0.286 38.194 38.487 -0.011 0.000 1.043 52 N HN 0.391 nan 8.380 nan 0.000 0.553 53 K N -0.388 120.004 120.400 -0.013 0.000 2.202 53 K HA 0.313 4.640 4.320 0.013 0.000 0.201 53 K C 0.555 177.145 176.600 -0.018 0.000 1.051 53 K CA 1.352 57.633 56.287 -0.011 0.000 0.977 53 K CB 0.320 32.815 32.500 -0.008 0.000 0.792 53 K HN 0.350 nan 8.250 nan 0.000 0.469 54 A N 0.207 123.006 122.820 -0.035 0.000 2.414 54 A HA 0.536 4.864 4.320 0.013 0.000 0.278 54 A C -0.366 177.173 177.584 -0.076 0.000 1.228 54 A CA -0.453 51.551 52.037 -0.054 0.000 0.857 54 A CB 0.983 19.935 19.000 -0.081 0.000 1.389 54 A HN 0.120 nan 8.150 nan 0.000 0.452 55 D N -1.500 118.829 120.400 -0.118 0.000 2.318 55 D HA 0.407 5.055 4.640 0.013 0.000 0.294 55 D C 0.232 176.385 176.300 -0.245 0.000 1.091 55 D CA 1.169 55.090 54.000 -0.131 0.000 0.883 55 D CB 1.108 41.866 40.800 -0.071 0.000 1.545 55 D HN 0.750 nan 8.370 nan 0.000 0.513 56 A N 0.745 123.295 122.820 -0.450 0.000 2.587 56 A HA 0.745 5.073 4.320 0.013 0.000 0.293 56 A C -1.290 175.690 177.584 -1.008 0.000 1.087 56 A CA -0.624 50.953 52.037 -0.766 0.000 0.692 56 A CB 2.043 20.370 19.000 -1.123 0.000 1.291 56 A HN 0.168 nan 8.150 nan 0.000 0.407 57 V N -2.180 117.278 119.914 -0.760 0.000 2.963 57 V HA 0.563 4.691 4.120 0.013 0.000 0.272 57 V C -0.536 175.479 176.094 -0.131 0.000 1.559 57 V CA -0.637 61.401 62.300 -0.437 0.000 0.959 57 V CB 0.741 32.402 31.823 -0.270 0.000 1.202 57 V HN 0.960 nan 8.190 nan 0.000 0.447 58 T N 5.666 120.268 114.554 0.079 0.000 2.832 58 T HA 0.720 5.077 4.350 0.013 0.000 0.296 58 T C -0.215 174.550 174.700 0.110 0.000 0.968 58 T CA 0.095 62.326 62.100 0.218 0.000 1.107 58 T CB 0.528 69.635 68.868 0.398 0.000 0.916 58 T HN 0.609 nan 8.240 nan 0.000 0.517 59 L N 2.220 123.491 121.223 0.081 0.000 2.333 59 L HA 0.504 4.852 4.340 0.013 0.000 0.263 59 L C -0.074 176.709 176.870 -0.145 0.000 1.014 59 L CA -1.222 53.586 54.840 -0.055 0.000 0.820 59 L CB 2.301 44.313 42.059 -0.078 0.000 1.352 59 L HN 0.572 nan 8.230 nan 0.000 0.421 60 D N 0.235 120.407 120.400 -0.380 0.000 2.341 60 D HA 0.220 4.868 4.640 0.013 0.000 0.245 60 D C 1.298 177.581 176.300 -0.029 0.000 1.106 60 D CA 0.389 54.079 54.000 -0.517 0.000 0.905 60 D CB 1.886 42.427 40.800 -0.431 0.000 1.202 60 D HN 0.590 nan 8.370 nan 0.000 0.426 61 G N 2.472 111.350 108.800 0.131 0.000 2.597 61 G HA2 -0.342 3.626 3.960 0.013 0.000 0.222 61 G HA3 -0.342 3.626 3.960 0.013 0.000 0.222 61 G C 1.388 176.312 174.900 0.041 0.000 1.135 61 G CA 1.028 46.151 45.100 0.038 0.000 0.759 61 G HN 0.658 nan 8.290 nan 0.000 0.595 62 G N 0.319 109.226 108.800 0.178 0.000 2.432 62 G HA2 -0.079 3.889 3.960 0.013 0.000 0.219 62 G HA3 -0.079 3.889 3.960 0.013 0.000 0.219 62 G C 1.693 176.768 174.900 0.292 0.000 1.135 62 G CA 0.733 46.038 45.100 0.343 0.000 0.767 62 G HN 0.440 nan 8.290 nan 0.000 0.550 63 L N 0.311 121.606 121.223 0.121 0.000 2.341 63 L HA 0.043 4.391 4.340 0.013 0.000 0.214 63 L C 2.864 179.768 176.870 0.058 0.000 1.115 63 L CA 0.102 54.959 54.840 0.029 0.000 0.820 63 L CB -0.422 41.522 42.059 -0.191 0.000 0.944 63 L HN 0.067 nan 8.230 nan 0.000 0.452 64 V N 0.088 120.056 119.914 0.090 0.000 2.233 64 V HA -0.378 3.750 4.120 0.013 0.000 0.247 64 V C 2.327 178.505 176.094 0.139 0.000 1.050 64 V CA 2.299 64.651 62.300 0.086 0.000 1.010 64 V CB -0.749 31.167 31.823 0.155 0.000 0.637 64 V HN 0.408 nan 8.190 nan 0.000 0.444 65 Y N 1.341 121.712 120.300 0.119 0.000 2.030 65 Y HA -0.321 4.236 4.550 0.012 0.000 0.272 65 Y C 2.655 178.647 175.900 0.152 0.000 1.185 65 Y CA 2.425 60.620 58.100 0.159 0.000 1.120 65 Y CB -0.365 38.232 38.460 0.230 0.000 0.955 65 Y HN 0.314 nan 8.280 nan 0.000 0.495 66 E N 0.026 120.284 120.200 0.096 0.000 2.153 66 E HA -0.199 4.159 4.350 0.013 0.000 0.194 66 E C 2.338 178.951 176.600 0.022 0.000 0.988 66 E CA 1.074 57.502 56.400 0.046 0.000 0.811 66 E CB -0.451 29.413 29.700 0.273 0.000 0.746 66 E HN 0.629 nan 8.360 nan 0.000 0.466 67 A N 0.956 123.775 122.820 -0.002 0.000 2.014 67 A HA 0.009 4.337 4.320 0.013 0.000 0.218 67 A C 2.362 179.960 177.584 0.025 0.000 1.163 67 A CA 1.340 53.365 52.037 -0.020 0.000 0.652 67 A CB -0.552 18.403 19.000 -0.074 0.000 0.808 67 A HN 0.303 nan 8.150 nan 0.000 0.449 68 G N -0.547 108.238 108.800 -0.025 0.000 2.650 68 G HA2 0.204 4.172 3.960 0.013 0.000 0.214 68 G HA3 0.204 4.172 3.960 0.013 0.000 0.214 68 G C 0.714 175.593 174.900 -0.035 0.000 1.136 68 G CA -0.164 44.920 45.100 -0.027 0.000 0.789 68 G HN 0.415 nan 8.290 nan 0.000 0.536 69 L N -0.288 120.905 121.223 -0.050 0.000 2.483 69 L HA 0.013 4.360 4.340 0.013 0.000 0.277 69 L C 2.112 178.993 176.870 0.019 0.000 1.248 69 L CA -0.536 54.289 54.840 -0.025 0.000 0.825 69 L CB 0.231 42.284 42.059 -0.009 0.000 1.096 69 L HN 0.228 nan 8.230 nan 0.000 0.512 70 H N 3.248 122.288 119.070 -0.049 0.000 2.517 70 H HA -0.185 4.379 4.556 0.013 0.000 0.292 70 H C -0.838 174.406 175.328 -0.140 0.000 1.062 70 H CA 2.976 58.978 56.048 -0.077 0.000 1.117 70 H CB -1.263 28.455 29.762 -0.072 0.000 1.415 70 H HN 0.511 nan 8.280 nan 0.000 0.631 71 P HA -0.198 nan 4.420 nan 0.000 0.219 71 P C 0.828 177.729 177.300 -0.665 0.000 1.144 71 P CA 1.825 64.516 63.100 -0.683 0.000 0.806 71 P CB -0.392 30.932 31.700 -0.627 0.000 0.771 72 Y N -0.783 119.419 120.300 -0.164 0.000 2.353 72 Y HA 0.215 4.774 4.550 0.015 0.000 0.294 72 Y C 1.375 177.198 175.900 -0.129 0.000 1.135 72 Y CA -0.175 57.855 58.100 -0.116 0.000 1.176 72 Y CB -0.704 37.716 38.460 -0.067 0.000 1.124 72 Y HN -0.278 nan 8.280 nan 0.000 0.537 73 K N 1.238 121.641 120.400 0.006 0.000 3.278 73 K HA -0.179 4.149 4.320 0.013 0.000 0.270 73 K C -0.668 175.925 176.600 -0.012 0.000 0.955 73 K CA 0.405 56.674 56.287 -0.031 0.000 0.723 73 K CB -1.858 30.588 32.500 -0.089 0.000 1.382 73 K HN 0.362 nan 8.250 nan 0.000 0.461 74 L N 0.444 121.671 121.223 0.006 0.000 2.439 74 L HA 0.427 4.774 4.340 0.013 0.000 0.259 74 L C 0.954 177.799 176.870 -0.042 0.000 1.129 74 L CA -0.597 54.226 54.840 -0.027 0.000 0.803 74 L CB 0.902 42.934 42.059 -0.044 0.000 1.161 74 L HN 0.275 nan 8.230 nan 0.000 0.462 75 R N 1.515 121.977 120.500 -0.064 0.000 2.673 75 R HA 0.496 4.843 4.340 0.013 0.000 0.281 75 R C -2.902 173.323 176.300 -0.125 0.000 0.991 75 R CA -1.714 54.339 56.100 -0.079 0.000 0.896 75 R CB 1.916 32.177 30.300 -0.066 0.000 1.201 75 R HN 0.233 nan 8.270 nan 0.000 0.457 76 P HA 0.013 nan 4.420 nan 0.000 0.275 76 P C 0.266 177.420 177.300 -0.242 0.000 1.276 76 P CA -0.296 62.630 63.100 -0.291 0.000 0.782 76 P CB 1.429 32.751 31.700 -0.630 0.000 0.851 77 V N 3.319 123.136 119.914 -0.161 0.000 2.379 77 V HA 0.118 4.246 4.120 0.013 0.000 0.243 77 V C 1.238 177.250 176.094 -0.136 0.000 1.035 77 V CA 1.846 64.065 62.300 -0.133 0.000 1.035 77 V CB -0.632 31.159 31.823 -0.053 0.000 0.673 77 V HN 0.702 nan 8.190 nan 0.000 0.457 78 A N -0.556 122.252 122.820 -0.020 0.000 2.486 78 A HA 0.853 5.181 4.320 0.013 0.000 0.300 78 A C -0.703 177.019 177.584 0.231 0.000 1.048 78 A CA 0.013 52.108 52.037 0.097 0.000 0.696 78 A CB 1.534 20.704 19.000 0.284 0.000 1.278 78 A HN 0.472 nan 8.150 nan 0.000 0.405 79 A N 1.751 124.750 122.820 0.299 0.000 2.276 79 A HA 0.645 4.973 4.320 0.013 0.000 0.316 79 A C -0.018 177.737 177.584 0.285 0.000 1.229 79 A CA -0.447 51.796 52.037 0.343 0.000 0.851 79 A CB 0.162 19.447 19.000 0.475 0.000 1.165 79 A HN 0.822 nan 8.150 nan 0.000 0.513 80 E N 0.752 121.039 120.200 0.144 0.000 2.404 80 E HA 0.337 4.695 4.350 0.013 0.000 0.261 80 E C -0.594 175.650 176.600 -0.593 0.000 1.074 80 E CA -0.100 56.131 56.400 -0.282 0.000 0.917 80 E CB 1.001 30.497 29.700 -0.340 0.000 0.965 80 E HN 0.402 nan 8.360 nan 0.000 0.433 81 V N 2.929 122.442 119.914 -0.668 0.000 2.630 81 V HA 0.350 4.477 4.120 0.013 0.000 0.305 81 V C -0.897 174.818 176.094 -0.631 0.000 1.046 81 V CA -0.564 61.400 62.300 -0.560 0.000 0.934 81 V CB 0.636 32.286 31.823 -0.288 0.000 1.003 81 V HN 0.522 nan 8.190 nan 0.000 0.451 82 Y N 0.852 121.026 120.300 -0.210 0.000 2.698 82 Y HA 0.376 4.934 4.550 0.013 0.000 0.332 82 Y C 1.104 176.879 175.900 -0.209 0.000 1.119 82 Y CA -1.238 56.710 58.100 -0.253 0.000 1.109 82 Y CB 0.899 39.195 38.460 -0.273 0.000 1.308 82 Y HN 0.674 nan 8.280 nan 0.000 0.499 83 Q N 0.151 119.930 119.800 -0.035 0.000 1.914 83 Q HA -0.229 4.119 4.340 0.013 0.000 0.222 83 Q C 0.545 176.502 176.000 -0.072 0.000 1.031 83 Q CA 3.356 59.097 55.803 -0.103 0.000 0.886 83 Q CB -1.158 27.469 28.738 -0.185 0.000 0.982 83 Q HN 0.861 nan 8.270 nan 0.000 0.417 84 T N -1.287 113.223 114.554 -0.072 0.000 7.880 84 T HA -0.355 4.003 4.350 0.013 0.000 0.303 84 T C 0.784 175.519 174.700 0.059 0.000 2.087 84 T CA 1.729 63.831 62.100 0.003 0.000 3.396 84 T CB -1.249 67.631 68.868 0.020 0.000 1.703 84 T HN 0.715 nan 8.240 nan 0.000 0.997 85 R N 0.511 121.000 120.500 -0.017 0.000 3.840 85 R HA -0.217 4.131 4.340 0.013 0.000 0.464 85 R C 0.612 176.915 176.300 0.005 0.000 0.986 85 R CA 2.211 58.308 56.100 -0.006 0.000 1.305 85 R CB -1.695 28.686 30.300 0.134 0.000 1.950 85 R HN 0.990 nan 8.270 nan 0.000 0.526 86 G N 0.089 108.895 108.800 0.010 0.000 3.481 86 G HA2 0.386 4.354 3.960 0.013 0.000 0.180 86 G HA3 0.386 4.354 3.960 0.013 0.000 0.180 86 G C -1.263 173.633 174.900 -0.007 0.000 1.345 86 G CA -0.372 44.731 45.100 0.005 0.000 1.104 86 G HN 0.097 nan 8.290 nan 0.000 0.749 87 K N 1.862 122.261 120.400 -0.002 0.000 2.174 87 K HA 0.528 4.856 4.320 0.013 0.000 0.275 87 K C -2.611 173.975 176.600 -0.023 0.000 1.015 87 K CA -1.619 54.660 56.287 -0.014 0.000 0.933 87 K CB 1.201 33.694 32.500 -0.012 0.000 1.025 87 K HN 0.091 nan 8.250 nan 0.000 0.463 88 P HA -0.019 nan 4.420 nan 0.000 0.267 88 P C -0.951 176.314 177.300 -0.059 0.000 1.200 88 P CA -0.014 63.053 63.100 -0.055 0.000 0.772 88 P CB 0.567 32.226 31.700 -0.068 0.000 0.855 89 Q N -0.082 119.678 119.800 -0.066 0.000 2.511 89 Q HA 0.396 4.744 4.340 0.013 0.000 0.289 89 Q C -0.291 175.644 176.000 -0.108 0.000 1.021 89 Q CA -0.675 55.081 55.803 -0.079 0.000 0.785 89 Q CB 1.680 30.382 28.738 -0.059 0.000 1.472 89 Q HN 0.384 nan 8.270 nan 0.000 0.411 90 T N -1.639 112.841 114.554 -0.123 0.000 3.243 90 T HA 0.392 4.750 4.350 0.013 0.000 0.264 90 T C 0.155 174.841 174.700 -0.023 0.000 1.000 90 T CA -0.357 61.672 62.100 -0.117 0.000 0.901 90 T CB 0.026 68.830 68.868 -0.106 0.000 1.083 90 T HN 0.219 nan 8.240 nan 0.000 0.559 91 R N 0.683 121.196 120.500 0.023 0.000 2.855 91 R HA 0.687 5.035 4.340 0.013 0.000 0.266 91 R C -1.609 174.780 176.300 0.149 0.000 1.034 91 R CA -0.907 55.190 56.100 -0.006 0.000 0.944 91 R CB 1.885 32.069 30.300 -0.194 0.000 1.219 91 R HN 0.482 nan 8.270 nan 0.000 0.474 92 Y N -2.151 118.049 120.300 -0.166 0.000 2.662 92 Y HA 0.445 5.004 4.550 0.015 0.000 0.334 92 Y C -1.934 173.817 175.900 -0.249 0.000 1.185 92 Y CA -1.428 56.525 58.100 -0.245 0.000 1.074 92 Y CB 0.492 38.852 38.460 -0.166 0.000 1.330 92 Y HN 0.397 nan 8.280 nan 0.000 0.458 93 Y N 2.075 122.384 120.300 0.014 0.000 2.316 93 Y HA 0.689 5.246 4.550 0.012 0.000 0.331 93 Y C 0.546 176.503 175.900 0.095 0.000 1.083 93 Y CA -0.227 57.847 58.100 -0.042 0.000 1.206 93 Y CB 1.474 39.902 38.460 -0.053 0.000 1.195 93 Y HN 0.889 nan 8.280 nan 0.000 0.497 94 A N 3.570 126.555 122.820 0.275 0.000 2.309 94 A HA 0.736 5.063 4.320 0.013 0.000 0.298 94 A C -0.430 177.338 177.584 0.306 0.000 1.165 94 A CA -0.446 51.762 52.037 0.284 0.000 0.821 94 A CB 0.221 19.358 19.000 0.228 0.000 1.102 94 A HN 0.744 nan 8.150 nan 0.000 0.500 95 V N -1.390 118.698 119.914 0.288 0.000 3.141 95 V HA 0.969 5.097 4.120 0.013 0.000 0.312 95 V C -0.129 176.135 176.094 0.283 0.000 1.157 95 V CA -0.509 61.954 62.300 0.271 0.000 1.041 95 V CB 1.598 33.566 31.823 0.243 0.000 1.071 95 V HN 1.735 nan 8.190 nan 0.000 0.441 96 A N 1.718 124.690 122.820 0.253 0.000 2.311 96 A HA 0.830 5.158 4.320 0.013 0.000 0.306 96 A C -0.724 176.927 177.584 0.111 0.000 1.189 96 A CA -0.592 51.587 52.037 0.238 0.000 0.791 96 A CB 1.198 20.402 19.000 0.340 0.000 1.172 96 A HN 1.250 nan 8.150 nan 0.000 0.481 97 V N 3.379 123.320 119.914 0.045 0.000 2.472 97 V HA 0.671 4.799 4.120 0.013 0.000 0.290 97 V C 0.151 176.258 176.094 0.022 0.000 1.037 97 V CA -0.250 62.091 62.300 0.067 0.000 0.908 97 V CB 1.324 33.223 31.823 0.127 0.000 0.985 97 V HN 1.087 nan 8.190 nan 0.000 0.454 98 V N 1.727 121.668 119.914 0.045 0.000 3.159 98 V HA 0.653 4.781 4.120 0.013 0.000 0.308 98 V C -0.649 175.412 176.094 -0.055 0.000 1.190 98 V CA -1.327 60.962 62.300 -0.020 0.000 1.037 98 V CB 2.020 33.753 31.823 -0.150 0.000 1.060 98 V HN 0.707 nan 8.190 nan 0.000 0.437 99 K N 1.266 121.558 120.400 -0.180 0.000 2.185 99 K HA 0.420 4.748 4.320 0.013 0.000 0.271 99 K C -0.151 176.282 176.600 -0.278 0.000 1.013 99 K CA -0.598 55.456 56.287 -0.388 0.000 0.943 99 K CB 0.873 33.150 32.500 -0.372 0.000 0.998 99 K HN 0.628 nan 8.250 nan 0.000 0.468 100 K N 0.286 120.512 120.400 -0.290 0.000 2.319 100 K HA 0.034 4.362 4.320 0.013 0.000 0.265 100 K C 0.687 177.192 176.600 -0.160 0.000 1.000 100 K CA 0.649 56.822 56.287 -0.190 0.000 0.943 100 K CB 0.568 32.976 32.500 -0.153 0.000 0.950 100 K HN 0.909 nan 8.250 nan 0.000 0.485 101 G N 1.122 109.846 108.800 -0.127 0.000 2.198 101 G HA2 -0.268 3.700 3.960 0.013 0.000 0.257 101 G HA3 -0.268 3.700 3.960 0.013 0.000 0.257 101 G C 0.462 175.317 174.900 -0.075 0.000 1.042 101 G CA 0.631 45.676 45.100 -0.093 0.000 0.791 101 G HN 0.609 nan 8.290 nan 0.000 0.502 102 S N -1.639 114.002 115.700 -0.098 0.000 2.511 102 S HA 0.442 4.920 4.470 0.013 0.000 0.214 102 S C 2.433 177.053 174.600 0.035 0.000 0.997 102 S CA 1.256 59.450 58.200 -0.011 0.000 0.908 102 S CB 0.579 63.763 63.200 -0.026 0.000 0.803 102 S HN 2.253 nan 8.310 nan 0.000 0.504 103 G N 2.366 111.117 108.800 -0.083 0.000 2.674 103 G HA2 -0.393 3.575 3.960 0.013 0.000 0.236 103 G HA3 -0.393 3.575 3.960 0.013 0.000 0.236 103 G C 0.187 175.063 174.900 -0.041 0.000 1.178 103 G CA 0.667 45.741 45.100 -0.043 0.000 0.721 103 G HN 0.912 nan 8.290 nan 0.000 0.515 104 F N 1.358 121.288 119.950 -0.033 0.000 2.532 104 F HA 0.713 5.247 4.527 0.012 0.000 0.323 104 F C 0.522 176.310 175.800 -0.020 0.000 1.234 104 F CA -0.464 57.519 58.000 -0.030 0.000 1.323 104 F CB 0.338 39.319 39.000 -0.033 0.000 1.183 104 F HN 0.310 nan 8.300 nan 0.000 0.589 105 Q N 0.766 120.657 119.800 0.151 0.000 2.814 105 Q HA 0.309 4.657 4.340 0.013 0.000 0.283 105 Q C 0.857 176.956 176.000 0.166 0.000 1.071 105 Q CA -0.863 54.972 55.803 0.053 0.000 0.849 105 Q CB 1.154 29.910 28.738 0.030 0.000 1.437 105 Q HN 0.833 nan 8.270 nan 0.000 0.492 106 L N 1.897 123.183 121.223 0.105 0.000 2.127 106 L HA -0.177 4.171 4.340 0.013 0.000 0.211 106 L C 1.027 177.918 176.870 0.034 0.000 1.089 106 L CA 2.081 57.000 54.840 0.132 0.000 0.757 106 L CB -0.490 41.637 42.059 0.113 0.000 0.899 106 L HN 0.681 nan 8.230 nan 0.000 0.434 107 N N -0.907 117.774 118.700 -0.032 0.000 2.389 107 N HA -0.024 4.724 4.740 0.013 0.000 0.237 107 N C 0.434 175.790 175.510 -0.257 0.000 1.148 107 N CA 0.176 53.066 53.050 -0.267 0.000 0.854 107 N CB -0.071 38.385 38.487 -0.052 0.000 1.115 107 N HN 0.588 nan 8.380 nan 0.000 0.492 108 Q N -0.368 119.368 119.800 -0.107 0.000 2.028 108 Q HA 0.304 4.652 4.340 0.013 0.000 0.207 108 Q C 0.943 176.861 176.000 -0.137 0.000 0.776 108 Q CA -0.140 55.612 55.803 -0.086 0.000 1.015 108 Q CB 0.548 29.312 28.738 0.043 0.000 1.215 108 Q HN 0.212 nan 8.270 nan 0.000 0.445 109 L N 0.689 121.864 121.223 -0.079 0.000 2.349 109 L HA -0.126 4.222 4.340 0.013 0.000 0.220 109 L C 1.219 177.844 176.870 -0.408 0.000 1.130 109 L CA 0.788 55.574 54.840 -0.090 0.000 0.791 109 L CB -0.664 41.593 42.059 0.329 0.000 0.918 109 L HN 0.367 nan 8.230 nan 0.000 0.444 110 Q N 1.654 121.034 119.800 -0.701 0.000 2.362 110 Q HA 0.093 4.441 4.340 0.013 0.000 0.305 110 Q C 0.998 176.641 176.000 -0.596 0.000 1.120 110 Q CA 1.210 56.361 55.803 -1.087 0.000 1.011 110 Q CB 0.000 28.306 28.738 -0.719 0.000 1.048 110 Q HN 0.387 nan 8.270 nan 0.000 0.386 111 G N 2.230 110.713 108.800 -0.528 0.000 2.157 111 G HA2 -0.212 3.755 3.960 0.013 0.000 0.248 111 G HA3 -0.212 3.755 3.960 0.013 0.000 0.248 111 G C -0.109 174.689 174.900 -0.170 0.000 0.979 111 G CA -0.098 44.846 45.100 -0.260 0.000 0.650 111 G HN 0.670 nan 8.290 nan 0.000 0.529 112 V N 0.372 120.197 119.914 -0.148 0.000 2.863 112 V HA 0.485 4.613 4.120 0.013 0.000 0.307 112 V C 0.819 176.932 176.094 0.031 0.000 1.061 112 V CA -0.479 61.729 62.300 -0.153 0.000 1.024 112 V CB 1.616 33.235 31.823 -0.340 0.000 1.049 112 V HN 0.310 nan 8.190 nan 0.000 0.471 113 K N 2.089 122.456 120.400 -0.055 0.000 2.205 113 K HA 0.563 4.891 4.320 0.013 0.000 0.279 113 K C -0.279 176.232 176.600 -0.150 0.000 1.027 113 K CA -0.114 56.146 56.287 -0.044 0.000 0.932 113 K CB 1.273 33.741 32.500 -0.054 0.000 1.032 113 K HN 0.861 nan 8.250 nan 0.000 0.466 114 S N 0.716 116.271 115.700 -0.242 0.000 2.536 114 S HA 0.517 4.994 4.470 0.013 0.000 0.287 114 S C -0.580 173.897 174.600 -0.206 0.000 1.101 114 S CA -0.993 56.959 58.200 -0.413 0.000 0.950 114 S CB 0.910 63.559 63.200 -0.918 0.000 1.056 114 S HN 0.600 nan 8.310 nan 0.000 0.481 115 c N 3.387 121.820 118.600 -0.279 0.000 2.355 115 c HA 0.700 5.277 4.570 0.013 0.000 0.332 115 c C -0.037 174.006 174.090 -0.078 0.000 1.255 115 c CA -0.565 55.702 56.329 -0.103 0.000 1.792 115 c CB -0.369 42.010 42.510 -0.218 0.000 2.300 115 c HN 0.916 nan 8.230 nan 0.000 0.515 116 H N 0.807 119.913 119.070 0.059 0.000 2.690 116 H HA 0.232 4.795 4.556 0.012 0.000 0.368 116 H C 0.860 176.248 175.328 0.100 0.000 1.150 116 H CA -0.093 56.063 56.048 0.179 0.000 1.174 116 H CB 2.106 32.043 29.762 0.291 0.000 1.684 116 H HN 0.752 nan 8.280 nan 0.000 0.538 117 T N 0.275 114.931 114.554 0.170 0.000 2.759 117 T HA 0.047 4.404 4.350 0.013 0.000 0.269 117 T C 1.029 175.646 174.700 -0.138 0.000 1.042 117 T CA 0.875 62.925 62.100 -0.083 0.000 1.140 117 T CB 0.092 68.826 68.868 -0.223 0.000 0.864 117 T HN 0.813 nan 8.240 nan 0.000 0.455 118 G N 0.170 109.014 108.800 0.074 0.000 2.340 118 G HA2 0.406 4.374 3.960 0.013 0.000 0.298 118 G HA3 0.406 4.374 3.960 0.013 0.000 0.298 118 G C -1.771 173.195 174.900 0.111 0.000 1.498 118 G CA -0.766 44.400 45.100 0.110 0.000 0.847 118 G HN 0.492 nan 8.290 nan 0.000 0.594 119 L N 1.454 122.680 121.223 0.006 0.000 2.462 119 L HA 0.507 4.855 4.340 0.013 0.000 0.272 119 L C 1.511 178.283 176.870 -0.163 0.000 1.166 119 L CA 2.371 57.021 54.840 -0.317 0.000 0.880 119 L CB 0.647 42.479 42.059 -0.378 0.000 1.142 119 L HN 2.357 nan 8.230 nan 0.000 0.473 120 G N 3.331 111.941 108.800 -0.317 0.000 2.175 120 G HA2 -0.256 3.712 3.960 0.013 0.000 0.244 120 G HA3 -0.256 3.712 3.960 0.013 0.000 0.244 120 G C 0.582 175.613 174.900 0.218 0.000 0.982 120 G CA 0.257 45.394 45.100 0.061 0.000 0.641 120 G HN 0.653 nan 8.290 nan 0.000 0.527 121 R N 0.771 121.401 120.500 0.217 0.000 2.531 121 R HA 0.594 4.942 4.340 0.013 0.000 0.273 121 R C 1.710 178.186 176.300 0.293 0.000 1.070 121 R CA 0.077 56.295 56.100 0.197 0.000 1.112 121 R CB 0.742 31.090 30.300 0.081 0.000 1.049 121 R HN 0.165 nan 8.270 nan 0.000 0.508 122 S N 1.659 117.553 115.700 0.323 0.000 2.404 122 S HA -0.310 4.168 4.470 0.013 0.000 0.230 122 S C 1.896 176.665 174.600 0.281 0.000 1.046 122 S CA 1.962 60.389 58.200 0.378 0.000 1.135 122 S CB -0.345 63.119 63.200 0.439 0.000 1.056 122 S HN 0.804 nan 8.310 nan 0.000 0.426 123 A N 0.862 123.879 122.820 0.328 0.000 1.970 123 A HA 0.270 4.598 4.320 0.013 0.000 0.216 123 A C 2.219 179.970 177.584 0.278 0.000 1.170 123 A CA 1.365 53.586 52.037 0.308 0.000 0.645 123 A CB -0.980 18.282 19.000 0.437 0.000 0.816 123 A HN 0.548 nan 8.150 nan 0.000 0.447 124 G N -2.904 106.070 108.800 0.290 0.000 2.712 124 G HA2 0.081 4.049 3.960 0.013 0.000 0.212 124 G HA3 0.081 4.049 3.960 0.013 0.000 0.212 124 G C 1.028 176.227 174.900 0.497 0.000 1.142 124 G CA 0.860 46.162 45.100 0.337 0.000 0.789 124 G HN 0.613 nan 8.290 nan 0.000 0.535 125 W N -0.453 120.937 121.300 0.151 0.000 5.120 125 W HA 0.050 4.717 4.660 0.013 0.000 0.169 125 W C 1.276 177.796 176.519 0.002 0.000 3.038 125 W CA 0.207 57.623 57.345 0.118 0.000 1.923 125 W CB -0.579 28.951 29.460 0.118 0.000 1.318 125 W HN 0.058 nan 8.180 nan 0.000 0.926 126 N N 1.781 120.649 118.700 0.279 0.000 2.069 126 N HA -0.229 4.519 4.740 0.013 0.000 0.196 126 N C 1.527 176.944 175.510 -0.154 0.000 1.024 126 N CA 2.734 55.810 53.050 0.043 0.000 0.869 126 N CB -0.748 37.776 38.487 0.062 0.000 1.035 126 N HN 0.120 nan 8.380 nan 0.000 0.434 127 I N 1.005 121.516 120.570 -0.098 0.000 2.233 127 I HA -0.102 4.076 4.170 0.013 0.000 0.243 127 I C -0.740 175.256 176.117 -0.202 0.000 1.093 127 I CA 1.090 62.311 61.300 -0.132 0.000 1.380 127 I CB -2.205 35.778 38.000 -0.027 0.000 1.067 127 I HN 0.113 nan 8.210 nan 0.000 0.413 128 P HA -0.129 nan 4.420 nan 0.000 0.214 128 P C 1.996 179.023 177.300 -0.456 0.000 1.162 128 P CA 1.403 64.197 63.100 -0.511 0.000 0.879 128 P CB -0.027 30.945 31.700 -1.213 0.000 0.786 129 I N 0.693 120.934 120.570 -0.548 0.000 2.118 129 I HA -0.179 3.999 4.170 0.013 0.000 0.241 129 I C 2.745 178.612 176.117 -0.417 0.000 1.070 129 I CA 2.131 63.076 61.300 -0.591 0.000 1.327 129 I CB -2.451 34.990 38.000 -0.932 0.000 1.034 129 I HN 0.044 nan 8.210 nan 0.000 0.405 130 G N -0.098 108.503 108.800 -0.332 0.000 2.479 130 G HA2 -0.217 3.751 3.960 0.013 0.000 0.220 130 G HA3 -0.217 3.751 3.960 0.013 0.000 0.220 130 G C 1.601 176.396 174.900 -0.176 0.000 1.115 130 G CA 1.345 46.312 45.100 -0.221 0.000 0.757 130 G HN 0.411 nan 8.290 nan 0.000 0.560 131 T N 0.922 115.371 114.554 -0.174 0.000 2.942 131 T HA 0.085 4.443 4.350 0.013 0.000 0.265 131 T C 1.968 176.636 174.700 -0.052 0.000 1.062 131 T CA 0.430 62.474 62.100 -0.093 0.000 1.139 131 T CB -0.026 68.806 68.868 -0.059 0.000 0.883 131 T HN 0.206 nan 8.240 nan 0.000 0.468 132 L N 0.465 121.612 121.223 -0.126 0.000 2.628 132 L HA 0.335 4.683 4.340 0.013 0.000 0.229 132 L C 2.445 179.170 176.870 -0.242 0.000 1.137 132 L CA -0.167 54.619 54.840 -0.091 0.000 0.909 132 L CB -0.298 41.572 42.059 -0.315 0.000 1.137 132 L HN 0.071 nan 8.230 nan 0.000 0.470 133 R N 1.706 122.069 120.500 -0.228 0.000 2.096 133 R HA -0.160 4.188 4.340 0.013 0.000 0.240 133 R C -0.505 175.699 176.300 -0.160 0.000 1.139 133 R CA 1.762 57.756 56.100 -0.176 0.000 0.952 133 R CB -1.008 29.247 30.300 -0.073 0.000 0.854 133 R HN 0.245 nan 8.270 nan 0.000 0.436 134 P HA -0.125 nan 4.420 nan 0.000 0.223 134 P C 0.029 177.107 177.300 -0.369 0.000 1.144 134 P CA 1.327 64.209 63.100 -0.363 0.000 0.783 134 P CB -0.047 31.312 31.700 -0.570 0.000 0.771 135 Y N -2.588 117.664 120.300 -0.081 0.000 2.467 135 Y HA 0.230 4.788 4.550 0.013 0.000 0.250 135 Y C 1.858 177.747 175.900 -0.018 0.000 1.155 135 Y CA -0.205 57.907 58.100 0.020 0.000 1.249 135 Y CB -0.309 38.242 38.460 0.152 0.000 1.146 135 Y HN -0.154 nan 8.280 nan 0.000 0.524 136 L N 0.006 121.174 121.223 -0.092 0.000 2.341 136 L HA -0.024 4.323 4.340 0.013 0.000 0.214 136 L C 0.027 176.940 176.870 0.071 0.000 1.115 136 L CA 0.673 55.431 54.840 -0.136 0.000 0.820 136 L CB -0.485 41.396 42.059 -0.296 0.000 0.944 136 L HN 0.353 nan 8.230 nan 0.000 0.452 137 N N -0.523 118.237 118.700 0.101 0.000 2.641 137 N HA -0.244 4.504 4.740 0.013 0.000 0.267 137 N C -0.890 174.733 175.510 0.189 0.000 1.087 137 N CA 0.155 53.276 53.050 0.118 0.000 0.731 137 N CB -0.723 37.828 38.487 0.106 0.000 0.886 137 N HN 0.357 nan 8.380 nan 0.000 0.547 138 W N 1.432 122.705 121.300 -0.045 0.000 2.532 138 W HA 0.418 5.087 4.660 0.015 0.000 0.321 138 W C 1.152 177.651 176.519 -0.034 0.000 1.037 138 W CA -0.700 56.619 57.345 -0.043 0.000 1.220 138 W CB 0.809 30.227 29.460 -0.070 0.000 1.361 138 W HN 0.058 nan 8.180 nan 0.000 0.468 139 T N 3.377 117.857 114.554 -0.124 0.000 2.597 139 T HA 0.138 4.496 4.350 0.013 0.000 0.267 139 T C 0.759 175.092 174.700 -0.612 0.000 1.053 139 T CA 2.550 64.477 62.100 -0.288 0.000 1.165 139 T CB -0.741 68.019 68.868 -0.180 0.000 0.863 139 T HN 0.903 nan 8.240 nan 0.000 0.427 140 G N -0.258 107.748 108.800 -1.323 0.000 2.320 140 G HA2 0.097 4.064 3.960 0.013 0.000 0.274 140 G HA3 0.097 4.064 3.960 0.013 0.000 0.274 140 G C -2.380 171.820 174.900 -1.166 0.000 1.324 140 G CA -0.248 43.926 45.100 -1.543 0.000 0.957 140 G HN -0.044 nan 8.290 nan 0.000 0.481 141 P HA -0.117 nan 4.420 nan 0.000 0.217 141 P C -1.138 176.164 177.300 0.003 0.000 1.158 141 P CA 2.773 65.809 63.100 -0.106 0.000 0.887 141 P CB -0.947 30.715 31.700 -0.065 0.000 0.792 142 P HA -0.139 nan 4.420 nan 0.000 0.217 142 P C 0.749 178.092 177.300 0.072 0.000 1.151 142 P CA 1.262 64.364 63.100 0.004 0.000 0.849 142 P CB -0.338 31.341 31.700 -0.033 0.000 0.787 143 E N 0.162 120.421 120.200 0.100 0.000 2.130 143 E HA 0.180 4.538 4.350 0.013 0.000 0.284 143 E C -2.350 174.503 176.600 0.422 0.000 1.018 143 E CA -2.890 53.651 56.400 0.235 0.000 0.817 143 E CB 0.506 30.352 29.700 0.244 0.000 1.078 143 E HN 0.002 nan 8.360 nan 0.000 0.396 144 P HA -0.111 nan 4.420 nan 0.000 0.261 144 P C 0.526 177.911 177.300 0.141 0.000 1.183 144 P CA 0.023 63.271 63.100 0.246 0.000 0.761 144 P CB 0.492 32.331 31.700 0.232 0.000 0.785 145 L N 4.773 126.051 121.223 0.091 0.000 2.129 145 L HA -0.263 4.085 4.340 0.013 0.000 0.212 145 L C 1.986 178.686 176.870 -0.283 0.000 1.087 145 L CA 1.956 56.594 54.840 -0.337 0.000 0.757 145 L CB -0.875 41.061 42.059 -0.205 0.000 0.896 145 L HN 0.402 nan 8.230 nan 0.000 0.434 146 Q N -0.774 118.920 119.800 -0.177 0.000 2.226 146 Q HA -0.235 4.113 4.340 0.013 0.000 0.204 146 Q C 2.129 177.774 176.000 -0.592 0.000 0.975 146 Q CA 1.549 57.151 55.803 -0.334 0.000 0.866 146 Q CB -0.150 28.257 28.738 -0.551 0.000 0.915 146 Q HN 0.576 nan 8.270 nan 0.000 0.440 147 K N 0.264 120.342 120.400 -0.538 0.000 2.155 147 K HA -0.062 4.266 4.320 0.013 0.000 0.203 147 K C 2.054 178.560 176.600 -0.156 0.000 1.052 147 K CA 0.895 57.007 56.287 -0.292 0.000 0.948 147 K CB -0.027 32.463 32.500 -0.018 0.000 0.728 147 K HN 0.123 nan 8.250 nan 0.000 0.448 148 A N 0.906 123.582 122.820 -0.240 0.000 1.855 148 A HA -0.107 4.221 4.320 0.013 0.000 0.215 148 A C 2.322 179.791 177.584 -0.192 0.000 1.191 148 A CA 1.275 53.165 52.037 -0.245 0.000 0.613 148 A CB -0.630 18.028 19.000 -0.569 0.000 0.829 148 A HN 0.050 nan 8.150 nan 0.000 0.442 149 V N 0.025 119.799 119.914 -0.233 0.000 2.343 149 V HA -0.222 3.906 4.120 0.013 0.000 0.247 149 V C 2.999 179.149 176.094 0.094 0.000 1.051 149 V CA 1.795 64.042 62.300 -0.088 0.000 1.036 149 V CB -1.175 30.636 31.823 -0.020 0.000 0.654 149 V HN 0.601 nan 8.190 nan 0.000 0.451 150 A N -0.026 122.811 122.820 0.029 0.000 2.076 150 A HA -0.200 4.128 4.320 0.013 0.000 0.220 150 A C 2.029 179.677 177.584 0.107 0.000 1.160 150 A CA 1.858 53.948 52.037 0.089 0.000 0.653 150 A CB -0.456 18.566 19.000 0.037 0.000 0.801 150 A HN 0.617 nan 8.150 nan 0.000 0.455 151 N N -2.019 116.726 118.700 0.076 0.000 2.432 151 N HA 0.049 4.797 4.740 0.013 0.000 0.174 151 N C 1.348 176.897 175.510 0.065 0.000 1.037 151 N CA 0.672 53.766 53.050 0.072 0.000 0.892 151 N CB -0.230 38.294 38.487 0.062 0.000 1.049 151 N HN 0.526 nan 8.380 nan 0.000 0.442 152 F N 0.854 120.725 119.950 -0.132 0.000 2.163 152 F HA 0.107 4.641 4.527 0.012 0.000 0.297 152 F C 0.104 175.737 175.800 -0.278 0.000 1.094 152 F CA 0.700 58.544 58.000 -0.261 0.000 1.290 152 F CB 0.094 38.831 39.000 -0.438 0.000 1.017 152 F HN -0.235 nan 8.300 nan 0.000 0.483 153 F N 0.730 120.799 119.950 0.198 0.000 2.408 153 F HA 0.209 4.746 4.527 0.016 0.000 0.344 153 F C 1.672 177.492 175.800 0.034 0.000 1.112 153 F CA -0.847 57.217 58.000 0.106 0.000 1.096 153 F CB 1.069 40.196 39.000 0.212 0.000 1.129 153 F HN -0.096 nan 8.300 nan 0.000 0.486 154 S N 1.643 117.452 115.700 0.182 0.000 2.447 154 S HA 0.350 4.828 4.470 0.013 0.000 0.233 154 S C 0.561 175.224 174.600 0.105 0.000 1.006 154 S CA 0.481 58.735 58.200 0.089 0.000 0.957 154 S CB -0.216 62.998 63.200 0.023 0.000 0.773 154 S HN 0.896 nan 8.310 nan 0.000 0.507 155 A N -0.456 122.446 122.820 0.136 0.000 2.596 155 A HA 0.632 4.960 4.320 0.013 0.000 0.305 155 A C -0.575 177.068 177.584 0.098 0.000 1.032 155 A CA -0.580 51.523 52.037 0.110 0.000 0.776 155 A CB 0.486 19.529 19.000 0.072 0.000 1.253 155 A HN 0.220 nan 8.150 nan 0.000 0.402 156 S N -0.707 115.054 115.700 0.102 0.000 2.671 156 S HA 0.728 5.206 4.470 0.013 0.000 0.277 156 S C -1.212 173.450 174.600 0.103 0.000 1.165 156 S CA -0.260 57.985 58.200 0.075 0.000 0.822 156 S CB 1.784 65.026 63.200 0.070 0.000 1.150 156 S HN 1.847 nan 8.310 nan 0.000 0.479 157 c N 2.633 121.310 118.600 0.128 0.000 2.437 157 c HA 0.751 5.329 4.570 0.013 0.000 0.307 157 c C -1.050 173.150 174.090 0.183 0.000 1.093 157 c CA -0.132 56.295 56.329 0.164 0.000 1.463 157 c CB -1.402 41.234 42.510 0.211 0.000 1.926 157 c HN 0.575 nan 8.230 nan 0.000 0.420 158 V N 8.936 128.916 119.914 0.110 0.000 2.305 158 V HA 0.349 4.477 4.120 0.013 0.000 0.275 158 V C -2.115 174.031 176.094 0.087 0.000 1.020 158 V CA -1.223 61.115 62.300 0.064 0.000 0.811 158 V CB 1.344 33.116 31.823 -0.085 0.000 1.031 158 V HN 0.685 nan 8.190 nan 0.000 0.439 159 P HA 0.219 nan 4.420 nan 0.000 0.269 159 P C 0.623 178.004 177.300 0.134 0.000 1.215 159 P CA 0.132 63.347 63.100 0.192 0.000 0.780 159 P CB 0.424 32.347 31.700 0.373 0.000 0.898 160 c N -0.625 118.036 118.600 0.102 0.000 5.319 160 c HA -0.131 4.447 4.570 0.013 0.000 0.239 160 c C 1.202 175.283 174.090 -0.014 0.000 1.472 160 c CA 0.154 56.522 56.329 0.064 0.000 1.403 160 c CB -2.719 39.884 42.510 0.155 0.000 2.126 160 c HN 0.809 nan 8.230 nan 0.000 0.613 161 A N 0.744 123.556 122.820 -0.015 0.000 2.406 161 A HA 0.435 4.763 4.320 0.013 0.000 0.243 161 A C 0.449 178.056 177.584 0.037 0.000 1.082 161 A CA 0.816 52.844 52.037 -0.015 0.000 0.786 161 A CB 0.152 19.160 19.000 0.013 0.000 1.029 161 A HN 0.470 nan 8.150 nan 0.000 0.495 162 D N 1.797 122.255 120.400 0.096 0.000 2.551 162 D HA 0.196 4.844 4.640 0.013 0.000 0.223 162 D C 1.426 177.754 176.300 0.045 0.000 1.144 162 D CA 0.646 54.674 54.000 0.046 0.000 1.025 162 D CB -0.214 40.590 40.800 0.008 0.000 1.085 162 D HN 0.583 nan 8.370 nan 0.000 0.506 163 G N 2.184 111.010 108.800 0.043 0.000 2.653 163 G HA2 -0.220 3.748 3.960 0.013 0.000 0.212 163 G HA3 -0.220 3.748 3.960 0.013 0.000 0.212 163 G C 1.398 176.302 174.900 0.006 0.000 1.138 163 G CA 0.345 45.474 45.100 0.048 0.000 0.782 163 G HN 0.391 nan 8.290 nan 0.000 0.535 164 K N -0.811 119.563 120.400 -0.044 0.000 2.284 164 K HA 0.129 4.456 4.320 0.013 0.000 0.198 164 K C 2.204 178.732 176.600 -0.119 0.000 1.048 164 K CA 0.323 56.572 56.287 -0.065 0.000 0.987 164 K CB 0.191 32.653 32.500 -0.064 0.000 0.800 164 K HN 0.247 nan 8.250 nan 0.000 0.486 165 Q N -0.487 119.165 119.800 -0.246 0.000 2.394 165 Q HA 0.052 4.400 4.340 0.013 0.000 0.218 165 Q C -0.206 175.550 176.000 -0.406 0.000 0.907 165 Q CA 0.595 56.135 55.803 -0.439 0.000 0.919 165 Q CB 0.681 28.930 28.738 -0.815 0.000 1.051 165 Q HN 0.228 nan 8.270 nan 0.000 0.538 166 Y N 0.144 120.461 120.300 0.029 0.000 2.525 166 Y HA 0.246 4.803 4.550 0.012 0.000 0.365 166 Y C -1.827 174.100 175.900 0.046 0.000 0.929 166 Y CA -2.821 55.305 58.100 0.043 0.000 1.196 166 Y CB 0.379 38.868 38.460 0.048 0.000 1.232 166 Y HN 0.115 nan 8.280 nan 0.000 0.613 167 P HA -0.283 nan 4.420 nan 0.000 0.217 167 P C 1.149 178.520 177.300 0.119 0.000 1.148 167 P CA 1.800 64.961 63.100 0.103 0.000 0.834 167 P CB 0.518 32.260 31.700 0.070 0.000 0.783 168 N N -0.339 118.445 118.700 0.141 0.000 2.289 168 N HA -0.084 4.664 4.740 0.013 0.000 0.184 168 N C 1.867 177.464 175.510 0.146 0.000 1.016 168 N CA 0.532 53.663 53.050 0.135 0.000 0.872 168 N CB -0.511 38.061 38.487 0.141 0.000 0.973 168 N HN 0.092 nan 8.380 nan 0.000 0.433 169 L N -0.792 120.528 121.223 0.162 0.000 2.478 169 L HA 0.015 4.363 4.340 0.013 0.000 0.223 169 L C 1.045 177.985 176.870 0.117 0.000 1.140 169 L CA 0.213 55.139 54.840 0.144 0.000 0.842 169 L CB 0.104 42.252 42.059 0.149 0.000 0.953 169 L HN 0.436 nan 8.230 nan 0.000 0.452 170 c N -2.104 116.565 118.600 0.116 0.000 3.580 170 c HA 0.109 4.687 4.570 0.013 0.000 0.337 170 c C 2.571 176.724 174.090 0.105 0.000 1.412 170 c CA -0.568 55.825 56.329 0.106 0.000 1.797 170 c CB 0.016 42.579 42.510 0.088 0.000 2.470 170 c HN 0.425 nan 8.230 nan 0.000 0.691 171 R N 1.288 121.847 120.500 0.099 0.000 2.119 171 R HA -0.138 4.210 4.340 0.013 0.000 0.246 171 R C 1.690 178.050 176.300 0.100 0.000 1.146 171 R CA 1.609 57.762 56.100 0.088 0.000 0.962 171 R CB -0.235 30.113 30.300 0.080 0.000 0.863 171 R HN 0.481 nan 8.270 nan 0.000 0.442 172 L N 0.053 121.346 121.223 0.116 0.000 2.478 172 L HA -0.009 4.339 4.340 0.013 0.000 0.223 172 L C 0.724 177.756 176.870 0.270 0.000 1.140 172 L CA -0.222 54.705 54.840 0.144 0.000 0.842 172 L CB -0.200 41.911 42.059 0.086 0.000 0.953 172 L HN 0.248 nan 8.230 nan 0.000 0.452 173 c N 1.815 120.563 118.600 0.247 0.000 2.642 173 c HA 0.324 4.902 4.570 0.013 0.000 0.420 173 c C 1.143 175.301 174.090 0.113 0.000 1.349 173 c CA -0.904 55.597 56.329 0.287 0.000 1.821 173 c CB -0.201 42.412 42.510 0.171 0.000 2.637 173 c HN 0.434 nan 8.230 nan 0.000 0.605 174 A N 3.365 126.080 122.820 -0.175 0.000 2.249 174 A HA 0.786 5.114 4.320 0.013 0.000 0.314 174 A C 0.314 177.742 177.584 -0.259 0.000 1.290 174 A CA 0.165 52.019 52.037 -0.305 0.000 0.893 174 A CB 0.317 18.917 19.000 -0.666 0.000 1.165 174 A HN 1.322 nan 8.150 nan 0.000 0.530 175 G N 0.924 109.650 108.800 -0.122 0.000 2.632 175 G HA2 0.566 4.534 3.960 0.013 0.000 0.292 175 G HA3 0.566 4.534 3.960 0.013 0.000 0.292 175 G C -0.117 174.752 174.900 -0.051 0.000 1.465 175 G CA 0.197 45.245 45.100 -0.086 0.000 0.824 175 G HN 1.080 nan 8.290 nan 0.000 0.509 176 T N -0.874 113.655 114.554 -0.042 0.000 3.141 176 T HA 0.230 4.587 4.350 0.013 0.000 0.391 176 T C 1.439 176.128 174.700 -0.019 0.000 1.170 176 T CA 0.777 62.861 62.100 -0.027 0.000 1.054 176 T CB 0.272 69.126 68.868 -0.024 0.000 1.487 176 T HN 0.467 nan 8.240 nan 0.000 0.530 177 E N 1.432 121.624 120.200 -0.014 0.000 2.002 177 E HA -0.149 4.208 4.350 0.013 0.000 0.205 177 E C 2.281 178.875 176.600 -0.009 0.000 1.020 177 E CA 1.791 58.185 56.400 -0.010 0.000 0.856 177 E CB -1.158 28.537 29.700 -0.008 0.000 0.788 177 E HN 0.795 nan 8.360 nan 0.000 0.477 178 A N 0.858 123.671 122.820 -0.012 0.000 2.275 178 A HA -0.007 4.321 4.320 0.013 0.000 0.212 178 A C 1.320 178.894 177.584 -0.016 0.000 1.201 178 A CA 0.305 52.334 52.037 -0.012 0.000 0.843 178 A CB 0.055 19.047 19.000 -0.013 0.000 0.873 178 A HN 0.006 nan 8.150 nan 0.000 0.492 179 D N 0.335 120.723 120.400 -0.020 0.000 2.234 179 D HA -0.032 4.616 4.640 0.013 0.000 0.205 179 D C 0.928 177.215 176.300 -0.021 0.000 0.962 179 D CA 0.649 54.632 54.000 -0.028 0.000 0.855 179 D CB -0.090 40.690 40.800 -0.033 0.000 0.951 179 D HN 0.428 nan 8.370 nan 0.000 0.500 180 K N 0.230 120.623 120.400 -0.012 0.000 2.466 180 K HA -0.068 4.260 4.320 0.013 0.000 0.278 180 K C 0.241 176.854 176.600 0.021 0.000 1.048 180 K CA 0.120 56.408 56.287 0.003 0.000 1.088 180 K CB 0.058 32.564 32.500 0.010 0.000 0.884 180 K HN 0.173 nan 8.250 nan 0.000 0.478 181 c N 2.678 121.305 118.600 0.045 0.000 4.392 181 c HA -0.209 4.369 4.570 0.013 0.000 0.280 181 c C 0.660 174.780 174.090 0.049 0.000 1.381 181 c CA 0.214 56.586 56.329 0.072 0.000 1.871 181 c CB -2.425 40.126 42.510 0.068 0.000 1.323 181 c HN 0.947 nan 8.230 nan 0.000 0.772 182 A N -0.406 122.421 122.820 0.012 0.000 2.520 182 A HA 0.348 4.675 4.320 0.013 0.000 0.235 182 A C 0.903 178.442 177.584 -0.075 0.000 1.065 182 A CA 0.862 52.876 52.037 -0.038 0.000 0.764 182 A CB 0.161 19.117 19.000 -0.072 0.000 1.002 182 A HN 1.445 nan 8.150 nan 0.000 0.502 183 c N 2.859 121.388 118.600 -0.117 0.000 2.285 183 c HA 0.555 5.133 4.570 0.013 0.000 0.361 183 c C 0.952 174.696 174.090 -0.576 0.000 1.361 183 c CA 0.367 56.589 56.329 -0.178 0.000 1.775 183 c CB -3.053 39.468 42.510 0.019 0.000 2.409 183 c HN 0.967 nan 8.230 nan 0.000 0.572 184 S N -0.978 114.220 115.700 -0.836 0.000 2.752 184 S HA 0.389 4.867 4.470 0.013 0.000 0.284 184 S C 0.404 174.498 174.600 -0.844 0.000 1.189 184 S CA 0.058 57.726 58.200 -0.888 0.000 0.835 184 S CB 0.913 63.898 63.200 -0.359 0.000 1.192 184 S HN 0.403 nan 8.310 nan 0.000 0.506 185 S N 0.477 115.953 115.700 -0.373 0.000 2.727 185 S HA 0.002 4.479 4.470 0.013 0.000 0.226 185 S C 1.188 175.766 174.600 -0.037 0.000 0.963 185 S CA 0.101 58.279 58.200 -0.037 0.000 0.950 185 S CB -0.479 62.771 63.200 0.082 0.000 0.779 185 S HN 0.533 nan 8.310 nan 0.000 0.532 186 Q N 1.517 121.250 119.800 -0.112 0.000 2.123 186 Q HA 0.048 4.396 4.340 0.013 0.000 0.199 186 Q C 0.869 176.843 176.000 -0.043 0.000 0.966 186 Q CA 1.121 56.883 55.803 -0.068 0.000 0.845 186 Q CB -0.283 28.406 28.738 -0.083 0.000 0.907 186 Q HN 0.754 nan 8.270 nan 0.000 0.439 187 E N 1.207 121.388 120.200 -0.031 0.000 2.105 187 E HA 0.113 4.471 4.350 0.013 0.000 0.285 187 E C -2.118 174.515 176.600 0.055 0.000 1.055 187 E CA -2.080 54.322 56.400 0.003 0.000 0.843 187 E CB 1.333 31.070 29.700 0.061 0.000 1.067 187 E HN -0.136 nan 8.360 nan 0.000 0.398 188 P HA -0.154 nan 4.420 nan 0.000 0.222 188 P C -0.127 177.273 177.300 0.167 0.000 1.142 188 P CA 1.039 64.127 63.100 -0.019 0.000 0.788 188 P CB 0.042 31.623 31.700 -0.199 0.000 0.767 189 Y N -2.714 117.668 120.300 0.137 0.000 2.471 189 Y HA 0.213 4.775 4.550 0.021 0.000 0.286 189 Y C 0.760 176.756 175.900 0.160 0.000 1.188 189 Y CA -1.525 56.652 58.100 0.128 0.000 1.286 189 Y CB -1.390 37.130 38.460 0.100 0.000 1.072 189 Y HN -0.059 nan 8.280 nan 0.000 0.517 190 F N 1.110 121.173 119.950 0.187 0.000 2.438 190 F HA 0.504 5.035 4.527 0.007 0.000 0.356 190 F C 0.883 176.732 175.800 0.082 0.000 1.099 190 F CA 0.643 58.712 58.000 0.114 0.000 1.185 190 F CB 0.158 39.202 39.000 0.073 0.000 1.115 190 F HN 0.239 nan 8.300 nan 0.000 0.526 191 G N 4.742 113.052 108.800 -0.816 0.000 2.710 191 G HA2 -0.315 3.652 3.960 0.013 0.000 0.668 191 G HA3 -0.315 3.652 3.960 0.013 0.000 0.668 191 G C -0.177 174.548 174.900 -0.292 0.000 1.320 191 G CA -0.238 44.433 45.100 -0.715 0.000 0.860 191 G HN 0.689 nan 8.290 nan 0.000 0.538 192 Y N 0.468 120.716 120.300 -0.087 0.000 2.114 192 Y HA -0.130 4.426 4.550 0.010 0.000 0.282 192 Y C 3.384 179.295 175.900 0.017 0.000 1.165 192 Y CA 2.560 60.644 58.100 -0.027 0.000 1.148 192 Y CB -0.647 37.771 38.460 -0.070 0.000 0.972 192 Y HN 0.452 nan 8.280 nan 0.000 0.504 193 S N -0.724 115.092 115.700 0.193 0.000 2.395 193 S HA -0.040 4.438 4.470 0.013 0.000 0.225 193 S C 2.370 177.094 174.600 0.207 0.000 1.027 193 S CA 0.797 59.101 58.200 0.173 0.000 0.965 193 S CB -0.723 62.551 63.200 0.125 0.000 0.812 193 S HN 0.623 nan 8.310 nan 0.000 0.482 194 G N 1.540 110.448 108.800 0.181 0.000 2.402 194 G HA2 -0.050 3.918 3.960 0.013 0.000 0.216 194 G HA3 -0.050 3.918 3.960 0.013 0.000 0.216 194 G C 1.541 176.538 174.900 0.162 0.000 1.162 194 G CA 0.826 46.080 45.100 0.257 0.000 0.777 194 G HN 0.549 nan 8.290 nan 0.000 0.539 195 A N 0.149 123.024 122.820 0.093 0.000 1.972 195 A HA 0.078 4.406 4.320 0.013 0.000 0.219 195 A C 2.136 179.709 177.584 -0.017 0.000 1.169 195 A CA 1.467 53.508 52.037 0.006 0.000 0.635 195 A CB -0.474 18.551 19.000 0.041 0.000 0.810 195 A HN 0.384 nan 8.150 nan 0.000 0.446 196 F N 0.305 120.223 119.950 -0.053 0.000 2.128 196 F HA -0.046 4.486 4.527 0.007 0.000 0.295 196 F C 2.086 177.836 175.800 -0.084 0.000 1.100 196 F CA 1.975 59.926 58.000 -0.082 0.000 1.260 196 F CB -0.054 38.896 39.000 -0.084 0.000 1.009 196 F HN 0.042 nan 8.300 nan 0.000 0.476 197 K N 0.093 120.522 120.400 0.048 0.000 2.057 197 K HA -0.197 4.130 4.320 0.013 0.000 0.207 197 K C 2.420 178.897 176.600 -0.205 0.000 1.049 197 K CA 1.365 57.653 56.287 0.001 0.000 0.931 197 K CB -1.345 31.280 32.500 0.209 0.000 0.714 197 K HN 0.476 nan 8.250 nan 0.000 0.440 198 c N 0.446 118.757 118.600 -0.481 0.000 2.403 198 c HA -0.087 4.491 4.570 0.013 0.000 0.279 198 c C 2.357 176.184 174.090 -0.438 0.000 1.269 198 c CA 0.783 56.597 56.329 -0.858 0.000 1.774 198 c CB -1.020 40.829 42.510 -1.101 0.000 1.993 198 c HN 0.512 nan 8.230 nan 0.000 0.496 199 L N 1.354 122.349 121.223 -0.380 0.000 2.022 199 L HA 0.058 4.405 4.340 0.013 0.000 0.204 199 L C 2.577 179.288 176.870 -0.266 0.000 1.076 199 L CA 2.555 57.204 54.840 -0.317 0.000 0.749 199 L CB -1.360 40.472 42.059 -0.379 0.000 0.903 199 L HN 0.455 nan 8.230 nan 0.000 0.439 200 E N -0.515 119.456 120.200 -0.382 0.000 2.333 200 E HA -0.237 4.121 4.350 0.013 0.000 0.198 200 E C 1.128 177.674 176.600 -0.089 0.000 1.007 200 E CA 1.289 57.567 56.400 -0.203 0.000 0.845 200 E CB -0.207 29.304 29.700 -0.314 0.000 0.766 200 E HN 0.709 nan 8.360 nan 0.000 0.507 201 N N -0.807 117.836 118.700 -0.094 0.000 2.322 201 N HA 0.087 4.835 4.740 0.013 0.000 0.194 201 N C 0.569 176.061 175.510 -0.030 0.000 1.126 201 N CA 0.229 53.266 53.050 -0.021 0.000 0.845 201 N CB 0.783 39.299 38.487 0.048 0.000 0.976 201 N HN 0.228 nan 8.380 nan 0.000 0.475 202 G N 0.724 109.482 108.800 -0.070 0.000 2.168 202 G HA2 -0.362 3.606 3.960 0.013 0.000 0.257 202 G HA3 -0.362 3.606 3.960 0.013 0.000 0.257 202 G C 0.883 175.751 174.900 -0.054 0.000 0.997 202 G CA 0.470 45.533 45.100 -0.061 0.000 0.708 202 G HN 0.456 nan 8.290 nan 0.000 0.520 203 A N -0.835 121.940 122.820 -0.074 0.000 1.975 203 A HA 0.630 4.957 4.320 0.013 0.000 0.215 203 A C 1.611 179.144 177.584 -0.085 0.000 1.170 203 A CA 1.951 53.956 52.037 -0.052 0.000 0.656 203 A CB 0.098 19.081 19.000 -0.030 0.000 0.821 203 A HN 1.823 nan 8.150 nan 0.000 0.449 204 G N -1.787 106.930 108.800 -0.139 0.000 2.630 204 G HA2 0.482 4.449 3.960 0.013 0.000 0.296 204 G HA3 0.482 4.449 3.960 0.013 0.000 0.296 204 G C -0.692 174.132 174.900 -0.127 0.000 1.285 204 G CA -0.129 44.884 45.100 -0.144 0.000 0.958 204 G HN 0.001 nan 8.290 nan 0.000 0.479 205 D N -1.084 119.250 120.400 -0.110 0.000 2.417 205 D HA 0.121 4.769 4.640 0.013 0.000 0.207 205 D C 0.082 176.402 176.300 0.034 0.000 1.075 205 D CA 0.435 54.422 54.000 -0.022 0.000 0.851 205 D CB 1.929 42.729 40.800 0.001 0.000 0.976 205 D HN 0.138 nan 8.370 nan 0.000 0.505 206 V N 0.561 120.395 119.914 -0.134 0.000 2.808 206 V HA 0.664 4.792 4.120 0.013 0.000 0.308 206 V C -1.681 174.076 176.094 -0.561 0.000 1.099 206 V CA -0.749 61.397 62.300 -0.256 0.000 0.920 206 V CB 1.972 33.667 31.823 -0.213 0.000 1.014 206 V HN 0.067 nan 8.190 nan 0.000 0.425 207 A N 6.030 128.554 122.820 -0.493 0.000 2.318 207 A HA 0.862 5.190 4.320 0.013 0.000 0.317 207 A C -1.274 176.051 177.584 -0.432 0.000 1.159 207 A CA -0.339 51.439 52.037 -0.431 0.000 0.799 207 A CB 0.746 19.650 19.000 -0.160 0.000 1.194 207 A HN 0.686 nan 8.150 nan 0.000 0.479 208 F N 3.015 122.908 119.950 -0.094 0.000 2.313 208 F HA 0.496 5.031 4.527 0.013 0.000 0.369 208 F C 0.593 176.440 175.800 0.078 0.000 1.109 208 F CA -0.463 57.516 58.000 -0.036 0.000 1.132 208 F CB 1.204 40.107 39.000 -0.161 0.000 1.291 208 F HN 0.527 nan 8.300 nan 0.000 0.496 209 V N -0.440 119.651 119.914 0.295 0.000 3.076 209 V HA 0.586 4.714 4.120 0.013 0.000 0.311 209 V C -0.555 175.724 176.094 0.308 0.000 1.346 209 V CA -1.416 61.086 62.300 0.337 0.000 1.056 209 V CB 1.681 33.665 31.823 0.270 0.000 1.093 209 V HN 0.416 nan 8.190 nan 0.000 0.468 210 K N 0.397 120.922 120.400 0.209 0.000 2.138 210 K HA 0.208 4.536 4.320 0.013 0.000 0.251 210 K C 0.811 177.374 176.600 -0.061 0.000 1.015 210 K CA 0.375 56.649 56.287 -0.022 0.000 0.917 210 K CB 1.008 33.094 32.500 -0.690 0.000 1.021 210 K HN 0.965 nan 8.250 nan 0.000 0.485 211 D N 0.183 120.526 120.400 -0.095 0.000 2.218 211 D HA -0.175 4.473 4.640 0.013 0.000 0.204 211 D C 1.390 177.596 176.300 -0.156 0.000 0.976 211 D CA 1.587 55.475 54.000 -0.187 0.000 0.853 211 D CB -0.170 40.276 40.800 -0.592 0.000 0.939 211 D HN 0.449 nan 8.370 nan 0.000 0.481 212 S N -0.676 114.867 115.700 -0.262 0.000 2.439 212 S HA -0.083 4.395 4.470 0.013 0.000 0.224 212 S C 1.899 176.451 174.600 -0.081 0.000 1.029 212 S CA 0.819 58.931 58.200 -0.147 0.000 0.946 212 S CB -0.893 62.084 63.200 -0.370 0.000 0.797 212 S HN 0.212 nan 8.310 nan 0.000 0.504 213 T N 3.128 117.538 114.554 -0.240 0.000 2.624 213 T HA -0.180 4.178 4.350 0.013 0.000 0.266 213 T C 1.797 176.174 174.700 -0.538 0.000 1.050 213 T CA 1.981 63.893 62.100 -0.314 0.000 1.163 213 T CB -1.048 67.701 68.868 -0.198 0.000 0.861 213 T HN 0.300 nan 8.240 nan 0.000 0.443 214 V N 0.609 120.180 119.914 -0.573 0.000 2.407 214 V HA -0.130 3.998 4.120 0.013 0.000 0.248 214 V C 2.112 177.770 176.094 -0.728 0.000 1.055 214 V CA 1.686 63.465 62.300 -0.869 0.000 1.049 214 V CB -0.851 30.524 31.823 -0.748 0.000 0.662 214 V HN 0.476 nan 8.190 nan 0.000 0.455 215 F N 0.110 119.879 119.950 -0.303 0.000 2.367 215 F HA 0.010 4.544 4.527 0.012 0.000 0.298 215 F C 2.333 177.996 175.800 -0.228 0.000 1.094 215 F CA 0.859 58.731 58.000 -0.213 0.000 1.409 215 F CB -0.411 38.502 39.000 -0.145 0.000 1.064 215 F HN 0.167 nan 8.300 nan 0.000 0.528 216 E N 0.161 120.292 120.200 -0.115 0.000 2.152 216 E HA -0.106 4.252 4.350 0.013 0.000 0.192 216 E C 1.608 178.098 176.600 -0.183 0.000 0.983 216 E CA 0.794 57.108 56.400 -0.143 0.000 0.818 216 E CB -0.122 29.474 29.700 -0.173 0.000 0.758 216 E HN 0.455 nan 8.360 nan 0.000 0.467 217 N N 0.155 118.658 118.700 -0.329 0.000 2.402 217 N HA 0.044 4.792 4.740 0.013 0.000 0.174 217 N C 0.226 175.612 175.510 -0.207 0.000 1.027 217 N CA 0.473 53.343 53.050 -0.301 0.000 0.891 217 N CB 0.696 38.881 38.487 -0.504 0.000 1.016 217 N HN 0.079 nan 8.380 nan 0.000 0.439 218 L N 1.874 122.946 121.223 -0.252 0.000 2.435 218 L HA 0.379 4.727 4.340 0.013 0.000 0.253 218 L C -2.048 174.774 176.870 -0.081 0.000 1.087 218 L CA -1.405 53.353 54.840 -0.135 0.000 0.950 218 L CB 1.647 43.613 42.059 -0.154 0.000 1.304 218 L HN -0.267 nan 8.230 nan 0.000 0.453 219 P HA -0.062 nan 4.420 nan 0.000 0.230 219 P C -0.240 177.069 177.300 0.015 0.000 1.158 219 P CA 0.979 64.077 63.100 -0.003 0.000 0.769 219 P CB 0.228 31.924 31.700 -0.006 0.000 0.807 220 D N -0.119 120.288 120.400 0.010 0.000 2.392 220 D HA 0.015 4.663 4.640 0.013 0.000 0.228 220 D C 0.904 177.220 176.300 0.026 0.000 1.074 220 D CA -0.236 53.776 54.000 0.021 0.000 0.838 220 D CB 1.160 41.972 40.800 0.020 0.000 1.067 220 D HN 0.139 nan 8.370 nan 0.000 0.511 221 E N 2.483 122.706 120.200 0.038 0.000 2.279 221 E HA -0.314 4.044 4.350 0.013 0.000 0.205 221 E C 1.534 178.157 176.600 0.038 0.000 1.028 221 E CA 1.347 57.773 56.400 0.044 0.000 0.830 221 E CB 0.267 29.997 29.700 0.051 0.000 0.736 221 E HN 0.547 nan 8.360 nan 0.000 0.478 222 A N 0.988 123.830 122.820 0.035 0.000 1.898 222 A HA -0.179 4.148 4.320 0.013 0.000 0.216 222 A C 1.942 179.558 177.584 0.054 0.000 1.181 222 A CA 1.294 53.354 52.037 0.037 0.000 0.620 222 A CB -0.311 18.707 19.000 0.030 0.000 0.819 222 A HN 0.255 nan 8.150 nan 0.000 0.442 223 E N 0.206 120.441 120.200 0.059 0.000 2.058 223 E HA -0.209 4.149 4.350 0.013 0.000 0.194 223 E C 2.161 178.855 176.600 0.156 0.000 0.997 223 E CA 1.254 57.713 56.400 0.098 0.000 0.801 223 E CB -0.352 29.388 29.700 0.065 0.000 0.746 223 E HN 0.610 nan 8.360 nan 0.000 0.450 224 R N 0.770 121.313 120.500 0.071 0.000 2.152 224 R HA -0.116 4.231 4.340 0.013 0.000 0.232 224 R C 1.624 178.000 176.300 0.128 0.000 1.117 224 R CA 1.279 57.409 56.100 0.050 0.000 0.981 224 R CB -0.183 30.068 30.300 -0.081 0.000 0.870 224 R HN 0.126 nan 8.270 nan 0.000 0.451 225 D N 0.383 120.837 120.400 0.090 0.000 2.371 225 D HA -0.068 4.580 4.640 0.013 0.000 0.221 225 D C 0.988 177.315 176.300 0.045 0.000 0.986 225 D CA 0.906 54.942 54.000 0.059 0.000 0.899 225 D CB 0.177 40.997 40.800 0.033 0.000 0.902 225 D HN 0.165 nan 8.370 nan 0.000 0.530 226 K N -0.655 119.796 120.400 0.084 0.000 2.487 226 K HA 0.048 4.376 4.320 0.013 0.000 0.192 226 K C -0.340 176.088 176.600 -0.287 0.000 1.027 226 K CA 0.336 56.572 56.287 -0.086 0.000 1.054 226 K CB 0.359 32.796 32.500 -0.104 0.000 0.824 226 K HN 0.185 nan 8.250 nan 0.000 0.510 227 Y N 0.292 120.574 120.300 -0.031 0.000 2.598 227 Y HA 0.411 4.970 4.550 0.014 0.000 0.340 227 Y C 0.074 175.948 175.900 -0.044 0.000 1.038 227 Y CA -1.117 56.961 58.100 -0.036 0.000 1.100 227 Y CB 1.863 40.323 38.460 0.000 0.000 1.281 227 Y HN -0.170 nan 8.280 nan 0.000 0.488 228 E N 0.388 120.653 120.200 0.108 0.000 2.456 228 E HA 0.648 5.005 4.350 0.013 0.000 0.278 228 E C -1.845 174.782 176.600 0.044 0.000 1.034 228 E CA -0.929 55.493 56.400 0.036 0.000 0.846 228 E CB 2.885 32.561 29.700 -0.040 0.000 1.460 228 E HN 0.397 nan 8.360 nan 0.000 0.463 229 L N 1.450 122.689 121.223 0.028 0.000 2.381 229 L HA 0.508 4.856 4.340 0.013 0.000 0.268 229 L C -0.881 175.996 176.870 0.013 0.000 0.997 229 L CA -0.875 53.993 54.840 0.047 0.000 0.818 229 L CB 1.420 43.534 42.059 0.092 0.000 1.310 229 L HN 0.285 nan 8.230 nan 0.000 0.416 230 L N 1.954 123.194 121.223 0.028 0.000 2.265 230 L HA 0.391 4.739 4.340 0.013 0.000 0.288 230 L C -0.626 176.274 176.870 0.049 0.000 1.058 230 L CA -0.455 54.397 54.840 0.019 0.000 0.809 230 L CB 1.161 43.254 42.059 0.058 0.000 1.179 230 L HN 0.638 nan 8.230 nan 0.000 0.429 231 c N 4.083 122.694 118.600 0.020 0.000 2.365 231 c HA 0.279 4.857 4.570 0.013 0.000 0.351 231 c C -0.581 173.518 174.090 0.013 0.000 1.240 231 c CA -1.141 55.191 56.329 0.006 0.000 2.062 231 c CB 1.024 43.521 42.510 -0.022 0.000 2.387 231 c HN 0.617 nan 8.230 nan 0.000 0.537 232 P HA -0.099 nan 4.420 nan 0.000 0.234 232 P C 0.332 177.644 177.300 0.020 0.000 1.162 232 P CA 1.465 64.578 63.100 0.021 0.000 0.759 232 P CB -0.057 31.640 31.700 -0.006 0.000 0.813 233 D N -1.320 119.083 120.400 0.005 0.000 2.559 233 D HA -0.013 4.635 4.640 0.013 0.000 0.234 233 D C -0.052 176.256 176.300 0.013 0.000 1.226 233 D CA -0.874 53.130 54.000 0.006 0.000 0.830 233 D CB -1.169 39.625 40.800 -0.011 0.000 1.028 233 D HN -0.139 nan 8.370 nan 0.000 0.492 234 N N 0.921 119.635 118.700 0.025 0.000 2.688 234 N HA -0.164 4.584 4.740 0.013 0.000 0.258 234 N C -0.436 175.076 175.510 0.003 0.000 1.016 234 N CA 1.627 54.691 53.050 0.023 0.000 0.747 234 N CB -1.464 37.045 38.487 0.037 0.000 0.895 234 N HN 0.730 nan 8.380 nan 0.000 0.543 235 T N -2.866 111.682 114.554 -0.009 0.000 2.778 235 T HA 0.711 5.069 4.350 0.013 0.000 0.293 235 T C -0.332 174.347 174.700 -0.035 0.000 1.144 235 T CA -1.012 61.073 62.100 -0.024 0.000 1.010 235 T CB 2.518 71.373 68.868 -0.022 0.000 1.325 235 T HN 0.197 nan 8.240 nan 0.000 0.515 236 R N 0.274 120.747 120.500 -0.045 0.000 2.621 236 R HA 0.721 5.069 4.340 0.013 0.000 0.292 236 R C -0.927 175.352 176.300 -0.035 0.000 0.969 236 R CA -0.952 55.118 56.100 -0.051 0.000 0.887 236 R CB 2.222 32.472 30.300 -0.083 0.000 1.180 236 R HN 0.584 nan 8.270 nan 0.000 0.450 237 K N 2.286 122.673 120.400 -0.022 0.000 2.477 237 K HA 0.421 4.748 4.320 0.013 0.000 0.255 237 K C -2.590 174.012 176.600 0.003 0.000 0.952 237 K CA -2.125 54.153 56.287 -0.014 0.000 0.826 237 K CB 2.385 34.874 32.500 -0.019 0.000 1.331 237 K HN 0.341 nan 8.250 nan 0.000 0.437 238 P HA -0.122 nan 4.420 nan 0.000 0.266 238 P C 1.084 178.420 177.300 0.059 0.000 1.186 238 P CA 0.076 63.192 63.100 0.027 0.000 0.767 238 P CB 0.426 32.140 31.700 0.022 0.000 0.820 239 V N 0.093 120.045 119.914 0.064 0.000 2.660 239 V HA -0.268 3.860 4.120 0.013 0.000 0.257 239 V C 1.488 177.758 176.094 0.293 0.000 1.088 239 V CA 2.306 64.657 62.300 0.086 0.000 1.106 239 V CB -2.010 29.735 31.823 -0.130 0.000 0.686 239 V HN 0.520 nan 8.190 nan 0.000 0.481 240 D N 1.826 122.386 120.400 0.267 0.000 2.363 240 D HA 0.224 4.872 4.640 0.013 0.000 0.226 240 D C 1.428 177.686 176.300 -0.070 0.000 1.020 240 D CA 0.886 55.079 54.000 0.322 0.000 0.892 240 D CB -0.132 40.801 40.800 0.221 0.000 0.900 240 D HN 0.586 nan 8.370 nan 0.000 0.531 241 A N 0.353 123.140 122.820 -0.054 0.000 2.532 241 A HA 0.260 4.588 4.320 0.013 0.000 0.273 241 A C 1.054 178.510 177.584 -0.214 0.000 1.342 241 A CA -0.662 51.260 52.037 -0.192 0.000 0.929 241 A CB -1.344 17.606 19.000 -0.082 0.000 1.051 241 A HN 0.419 nan 8.150 nan 0.000 0.521 242 F N -0.443 119.517 119.950 0.016 0.000 2.250 242 F HA -0.089 4.447 4.527 0.015 0.000 0.301 242 F C 1.614 177.250 175.800 -0.273 0.000 1.077 242 F CA 1.414 59.386 58.000 -0.046 0.000 1.348 242 F CB -0.442 38.567 39.000 0.015 0.000 1.040 242 F HN 0.113 nan 8.300 nan 0.000 0.509 243 K N 0.164 120.214 120.400 -0.583 0.000 2.283 243 K HA -0.095 4.233 4.320 0.013 0.000 0.202 243 K C 1.440 177.952 176.600 -0.148 0.000 1.048 243 K CA 1.489 57.458 56.287 -0.530 0.000 0.948 243 K CB -0.136 32.142 32.500 -0.370 0.000 0.742 243 K HN 0.292 nan 8.250 nan 0.000 0.458 244 E N -0.775 119.361 120.200 -0.107 0.000 2.290 244 E HA 0.031 4.389 4.350 0.013 0.000 0.197 244 E C -0.025 176.529 176.600 -0.077 0.000 0.948 244 E CA 0.346 56.708 56.400 -0.064 0.000 0.895 244 E CB 0.559 30.206 29.700 -0.088 0.000 0.865 244 E HN 0.072 nan 8.360 nan 0.000 0.486 245 c N 3.398 121.992 118.600 -0.010 0.000 2.717 245 c HA 0.340 4.917 4.570 0.013 0.000 0.306 245 c C -0.849 173.292 174.090 0.085 0.000 1.225 245 c CA -0.464 55.861 56.329 -0.007 0.000 1.658 245 c CB -1.804 40.719 42.510 0.022 0.000 1.714 245 c HN 0.373 nan 8.230 nan 0.000 0.463 246 H N 1.416 120.500 119.070 0.025 0.000 2.865 246 H HA 0.384 4.948 4.556 0.013 0.000 0.372 246 H C 0.120 175.509 175.328 0.102 0.000 1.173 246 H CA -0.929 55.172 56.048 0.089 0.000 1.147 246 H CB 0.807 30.631 29.762 0.103 0.000 1.805 246 H HN 0.247 nan 8.280 nan 0.000 0.553 247 L N 0.323 121.686 121.223 0.234 0.000 2.131 247 L HA 0.294 4.642 4.340 0.013 0.000 0.206 247 L C 0.937 177.914 176.870 0.179 0.000 1.087 247 L CA 1.219 56.143 54.840 0.140 0.000 0.767 247 L CB -0.135 41.995 42.059 0.118 0.000 0.917 247 L HN 0.809 nan 8.230 nan 0.000 0.441 248 A N -0.409 122.604 122.820 0.323 0.000 2.567 248 A HA 0.510 4.838 4.320 0.013 0.000 0.291 248 A C -1.135 176.612 177.584 0.273 0.000 1.048 248 A CA -0.644 51.572 52.037 0.298 0.000 0.661 248 A CB 1.099 20.169 19.000 0.117 0.000 1.288 248 A HN 0.062 nan 8.150 nan 0.000 0.424 249 R N 0.948 121.532 120.500 0.139 0.000 2.275 249 R HA 0.569 4.917 4.340 0.013 0.000 0.326 249 R C -0.362 175.850 176.300 -0.146 0.000 0.973 249 R CA -0.268 55.762 56.100 -0.117 0.000 0.854 249 R CB 0.760 30.933 30.300 -0.211 0.000 1.156 249 R HN 1.111 nan 8.270 nan 0.000 0.487 250 V N 1.619 121.370 119.914 -0.272 0.000 3.234 250 V HA 0.731 4.859 4.120 0.013 0.000 0.317 250 V C -2.374 173.503 176.094 -0.361 0.000 1.081 250 V CA -2.210 59.961 62.300 -0.214 0.000 1.037 250 V CB 1.429 33.176 31.823 -0.127 0.000 1.148 250 V HN 0.643 nan 8.190 nan 0.000 0.453 251 P HA 0.290 nan 4.420 nan 0.000 0.284 251 P C -0.234 177.114 177.300 0.079 0.000 1.258 251 P CA -0.140 62.817 63.100 -0.238 0.000 0.824 251 P CB 1.559 32.948 31.700 -0.517 0.000 1.038 252 S N 1.648 117.537 115.700 0.315 0.000 2.587 252 S HA 0.067 4.544 4.470 0.013 0.000 0.260 252 S C 0.519 175.533 174.600 0.690 0.000 1.353 252 S CA -0.212 58.388 58.200 0.666 0.000 0.995 252 S CB -0.500 62.849 63.200 0.248 0.000 0.912 252 S HN 0.472 nan 8.310 nan 0.000 0.568 253 H N 0.092 119.492 119.070 0.550 0.000 2.660 253 H HA 0.556 5.119 4.556 0.011 0.000 0.374 253 H C 0.345 175.878 175.328 0.341 0.000 1.291 253 H CA -0.142 56.155 56.048 0.415 0.000 1.437 253 H CB 0.605 30.603 29.762 0.393 0.000 1.509 253 H HN 0.920 nan 8.280 nan 0.000 0.614 254 A N 0.787 123.837 122.820 0.384 0.000 2.604 254 A HA 0.392 4.720 4.320 0.013 0.000 0.295 254 A C -1.125 176.571 177.584 0.188 0.000 1.067 254 A CA -0.757 51.419 52.037 0.231 0.000 0.683 254 A CB 0.958 19.889 19.000 -0.115 0.000 1.281 254 A HN 0.397 nan 8.150 nan 0.000 0.407 255 V N 1.722 121.768 119.914 0.221 0.000 2.488 255 V HA 0.463 4.591 4.120 0.013 0.000 0.277 255 V C 0.764 176.848 176.094 -0.017 0.000 1.046 255 V CA -0.180 62.211 62.300 0.153 0.000 0.986 255 V CB 0.532 32.499 31.823 0.241 0.000 0.989 255 V HN 1.177 nan 8.190 nan 0.000 0.475 256 V N 2.094 121.957 119.914 -0.085 0.000 2.966 256 V HA 1.079 5.207 4.120 0.013 0.000 0.317 256 V C 0.084 176.091 176.094 -0.145 0.000 1.070 256 V CA -0.190 62.037 62.300 -0.121 0.000 1.008 256 V CB 1.491 33.242 31.823 -0.119 0.000 1.070 256 V HN 1.330 nan 8.190 nan 0.000 0.457 257 A N 2.113 124.861 122.820 -0.120 0.000 2.581 257 A HA 0.754 5.082 4.320 0.013 0.000 0.290 257 A C -0.445 177.090 177.584 -0.082 0.000 1.119 257 A CA -1.219 50.752 52.037 -0.110 0.000 0.670 257 A CB 1.186 20.132 19.000 -0.090 0.000 1.280 257 A HN 0.913 nan 8.150 nan 0.000 0.425 258 R N 0.249 120.709 120.500 -0.067 0.000 2.641 258 R HA 0.342 4.689 4.340 0.013 0.000 0.269 258 R C 0.825 177.097 176.300 -0.047 0.000 1.074 258 R CA 0.240 56.310 56.100 -0.050 0.000 1.133 258 R CB 0.524 30.799 30.300 -0.041 0.000 1.029 258 R HN 0.675 nan 8.270 nan 0.000 0.488 259 S N 0.341 116.016 115.700 -0.042 0.000 2.406 259 S HA -0.020 4.458 4.470 0.013 0.000 0.228 259 S C 0.630 175.209 174.600 -0.036 0.000 1.020 259 S CA 0.578 58.754 58.200 -0.040 0.000 0.965 259 S CB 0.388 63.566 63.200 -0.037 0.000 0.798 259 S HN 0.290 nan 8.310 nan 0.000 0.488 260 V N 2.359 122.253 119.914 -0.033 0.000 2.487 260 V HA 0.333 4.461 4.120 0.013 0.000 0.298 260 V C -0.812 175.267 176.094 -0.026 0.000 1.028 260 V CA -0.743 61.540 62.300 -0.028 0.000 0.860 260 V CB 1.450 33.258 31.823 -0.026 0.000 0.991 260 V HN 0.199 nan 8.190 nan 0.000 0.427 261 D N 3.768 124.155 120.400 -0.022 0.000 2.689 261 D HA -0.159 4.489 4.640 0.013 0.000 0.237 261 D C 1.300 177.587 176.300 -0.021 0.000 1.148 261 D CA 1.345 55.334 54.000 -0.019 0.000 0.656 261 D CB -0.753 40.037 40.800 -0.016 0.000 1.050 261 D HN 0.899 nan 8.370 nan 0.000 0.426 262 G N -0.094 108.691 108.800 -0.025 0.000 2.939 262 G HA2 -0.026 3.942 3.960 0.013 0.000 0.210 262 G HA3 -0.026 3.942 3.960 0.013 0.000 0.210 262 G C 0.595 175.482 174.900 -0.021 0.000 1.160 262 G CA 0.094 45.176 45.100 -0.031 0.000 0.770 262 G HN 0.393 nan 8.290 nan 0.000 0.543 263 R N -0.135 120.359 120.500 -0.010 0.000 3.246 263 R HA -0.159 4.189 4.340 0.013 0.000 0.260 263 R C 0.912 177.225 176.300 0.021 0.000 1.034 263 R CA 0.725 56.829 56.100 0.006 0.000 0.691 263 R CB -1.965 28.341 30.300 0.009 0.000 1.186 263 R HN 0.523 nan 8.270 nan 0.000 0.416 264 E N 0.907 121.115 120.200 0.014 0.000 2.051 264 E HA -0.224 4.134 4.350 0.013 0.000 0.192 264 E C 1.166 177.822 176.600 0.092 0.000 0.991 264 E CA 2.002 58.420 56.400 0.030 0.000 0.799 264 E CB -0.064 29.629 29.700 -0.012 0.000 0.748 264 E HN 0.657 nan 8.360 nan 0.000 0.449 265 D N 0.761 121.208 120.400 0.078 0.000 2.178 265 D HA -0.179 4.469 4.640 0.013 0.000 0.201 265 D C 1.795 178.170 176.300 0.125 0.000 0.980 265 D CA 0.654 54.725 54.000 0.119 0.000 0.842 265 D CB -0.217 40.625 40.800 0.069 0.000 0.948 265 D HN 0.039 nan 8.370 nan 0.000 0.472 266 L N 0.295 121.570 121.223 0.087 0.000 2.005 266 L HA -0.073 4.275 4.340 0.013 0.000 0.207 266 L C 2.389 179.325 176.870 0.110 0.000 1.072 266 L CA 1.352 56.238 54.840 0.076 0.000 0.744 266 L CB -0.443 41.650 42.059 0.056 0.000 0.895 266 L HN 0.110 nan 8.230 nan 0.000 0.433 267 I N -1.789 118.866 120.570 0.142 0.000 2.099 267 I HA -0.395 3.782 4.170 0.013 0.000 0.239 267 I C 2.396 178.646 176.117 0.221 0.000 1.066 267 I CA 1.865 63.287 61.300 0.204 0.000 1.324 267 I CB -0.653 37.451 38.000 0.173 0.000 1.037 267 I HN 0.474 nan 8.210 nan 0.000 0.401 268 W N 2.657 123.977 121.300 0.033 0.000 2.305 268 W HA -0.283 4.385 4.660 0.013 0.000 0.308 268 W C 2.365 178.914 176.519 0.051 0.000 1.226 268 W CA 1.669 59.028 57.345 0.024 0.000 1.253 268 W CB -0.095 29.368 29.460 0.005 0.000 1.146 268 W HN 0.137 nan 8.180 nan 0.000 0.507 269 K N -0.127 120.254 120.400 -0.033 0.000 2.147 269 K HA -0.229 4.099 4.320 0.013 0.000 0.205 269 K C 1.895 178.409 176.600 -0.143 0.000 1.049 269 K CA 1.388 57.586 56.287 -0.148 0.000 0.936 269 K CB -0.631 31.846 32.500 -0.039 0.000 0.722 269 K HN 0.146 nan 8.250 nan 0.000 0.446 270 L N 1.575 122.765 121.223 -0.055 0.000 1.961 270 L HA -0.156 4.192 4.340 0.013 0.000 0.210 270 L C 1.974 178.807 176.870 -0.062 0.000 1.072 270 L CA 1.586 56.419 54.840 -0.012 0.000 0.749 270 L CB -0.630 41.489 42.059 0.099 0.000 0.889 270 L HN 0.080 nan 8.230 nan 0.000 0.432 271 L N -0.779 120.360 121.223 -0.140 0.000 2.081 271 L HA -0.281 4.066 4.340 0.013 0.000 0.212 271 L C 2.745 179.390 176.870 -0.374 0.000 1.080 271 L CA 1.617 56.269 54.840 -0.313 0.000 0.754 271 L CB -1.171 40.532 42.059 -0.594 0.000 0.893 271 L HN 0.526 nan 8.230 nan 0.000 0.433 272 H N 0.655 119.287 119.070 -0.731 0.000 2.290 272 H HA -0.138 4.426 4.556 0.013 0.000 0.298 272 H C 2.431 177.562 175.328 -0.328 0.000 1.087 272 H CA 1.595 57.242 56.048 -0.668 0.000 1.291 272 H CB 0.198 29.448 29.762 -0.852 0.000 1.369 272 H HN 0.124 nan 8.280 nan 0.000 0.492 273 R N 0.492 120.929 120.500 -0.105 0.000 2.096 273 R HA -0.042 4.306 4.340 0.013 0.000 0.235 273 R C 2.443 178.628 176.300 -0.191 0.000 1.127 273 R CA 1.035 57.071 56.100 -0.107 0.000 0.968 273 R CB -0.954 29.296 30.300 -0.083 0.000 0.861 273 R HN 0.432 nan 8.270 nan 0.000 0.440 274 A N 1.194 123.949 122.820 -0.109 0.000 1.933 274 A HA -0.198 4.130 4.320 0.013 0.000 0.218 274 A C 2.100 179.585 177.584 -0.165 0.000 1.175 274 A CA 1.289 53.294 52.037 -0.053 0.000 0.628 274 A CB -0.294 18.768 19.000 0.103 0.000 0.814 274 A HN 0.430 nan 8.150 nan 0.000 0.444 275 Q N -0.749 118.964 119.800 -0.145 0.000 2.083 275 Q HA -0.143 4.205 4.340 0.013 0.000 0.198 275 Q C 2.066 177.974 176.000 -0.155 0.000 0.969 275 Q CA 1.250 57.004 55.803 -0.083 0.000 0.838 275 Q CB -0.236 28.480 28.738 -0.036 0.000 0.900 275 Q HN 0.832 nan 8.270 nan 0.000 0.436 276 E N 0.983 121.037 120.200 -0.243 0.000 2.072 276 E HA -0.233 4.125 4.350 0.013 0.000 0.191 276 E C 1.549 178.011 176.600 -0.230 0.000 0.985 276 E CA 1.113 57.382 56.400 -0.218 0.000 0.801 276 E CB 0.257 29.829 29.700 -0.213 0.000 0.750 276 E HN 0.194 nan 8.360 nan 0.000 0.452 277 E N -1.069 118.900 120.200 -0.386 0.000 2.140 277 E HA -0.013 4.344 4.350 0.013 0.000 0.191 277 E C 0.597 176.822 176.600 -0.626 0.000 0.973 277 E CA 0.722 56.758 56.400 -0.608 0.000 0.829 277 E CB 0.195 29.326 29.700 -0.948 0.000 0.781 277 E HN 0.217 nan 8.360 nan 0.000 0.466 278 F N -1.072 118.881 119.950 0.006 0.000 2.724 278 F HA 0.457 4.995 4.527 0.018 0.000 0.310 278 F C 1.119 176.822 175.800 -0.162 0.000 1.107 278 F CA -0.227 57.755 58.000 -0.030 0.000 1.218 278 F CB -0.080 38.986 39.000 0.109 0.000 1.042 278 F HN -0.061 nan 8.300 nan 0.000 0.540 279 G N 0.702 109.489 108.800 -0.021 0.000 2.441 279 G HA2 0.075 4.043 3.960 0.013 0.000 0.258 279 G HA3 0.075 4.043 3.960 0.013 0.000 0.258 279 G C 0.336 175.278 174.900 0.070 0.000 1.487 279 G CA -0.704 44.422 45.100 0.042 0.000 1.058 279 G HN 0.008 nan 8.290 nan 0.000 0.552 280 R N 0.663 121.221 120.500 0.097 0.000 2.480 280 R HA -0.052 4.295 4.340 0.013 0.000 0.303 280 R C 0.581 176.889 176.300 0.015 0.000 0.985 280 R CA 0.424 56.550 56.100 0.044 0.000 1.051 280 R CB -0.550 29.754 30.300 0.005 0.000 0.935 280 R HN 0.696 nan 8.270 nan 0.000 0.410 281 N N 1.609 120.314 118.700 0.008 0.000 2.628 281 N HA -0.236 4.512 4.740 0.013 0.000 0.247 281 N C 0.449 175.967 175.510 0.013 0.000 1.157 281 N CA 1.188 54.241 53.050 0.006 0.000 0.729 281 N CB -0.071 38.415 38.487 -0.002 0.000 1.083 281 N HN 0.460 nan 8.380 nan 0.000 0.554 282 K N -0.875 119.537 120.400 0.020 0.000 2.062 282 K HA 0.091 4.418 4.320 0.013 0.000 0.205 282 K C 1.120 177.750 176.600 0.050 0.000 1.051 282 K CA 0.861 57.157 56.287 0.015 0.000 0.941 282 K CB -0.289 32.203 32.500 -0.013 0.000 0.719 282 K HN 0.286 nan 8.250 nan 0.000 0.440 283 S N -1.075 114.684 115.700 0.100 0.000 2.806 283 S HA 0.364 4.842 4.470 0.013 0.000 0.315 283 S C 0.565 175.214 174.600 0.082 0.000 1.127 283 S CA -0.090 58.195 58.200 0.143 0.000 0.918 283 S CB 1.505 64.912 63.200 0.344 0.000 1.240 283 S HN 0.222 nan 8.310 nan 0.000 0.552 284 S N -0.310 115.438 115.700 0.082 0.000 2.612 284 S HA 0.300 4.778 4.470 0.013 0.000 0.278 284 S C 1.633 176.258 174.600 0.041 0.000 1.082 284 S CA 0.494 58.717 58.200 0.037 0.000 1.185 284 S CB -0.553 62.665 63.200 0.030 0.000 1.077 284 S HN 0.886 nan 8.310 nan 0.000 0.585 285 A N 1.075 123.942 122.820 0.079 0.000 2.070 285 A HA 0.493 4.821 4.320 0.013 0.000 0.220 285 A C 0.501 178.136 177.584 0.084 0.000 1.159 285 A CA 0.980 53.061 52.037 0.073 0.000 0.656 285 A CB -0.413 18.645 19.000 0.097 0.000 0.800 285 A HN 1.026 nan 8.150 nan 0.000 0.453 286 F N -1.832 118.019 119.950 -0.166 0.000 2.686 286 F HA 0.472 5.004 4.527 0.008 0.000 0.315 286 F C -2.317 173.347 175.800 -0.225 0.000 1.088 286 F CA -0.963 56.860 58.000 -0.295 0.000 1.034 286 F CB 0.596 39.228 39.000 -0.614 0.000 1.280 286 F HN -0.021 nan 8.300 nan 0.000 0.463 287 Q N 5.902 125.071 119.800 -1.052 0.000 2.325 287 Q HA 0.458 4.806 4.340 0.013 0.000 0.270 287 Q C 0.133 175.409 176.000 -1.207 0.000 1.020 287 Q CA -0.782 54.566 55.803 -0.758 0.000 0.785 287 Q CB 1.987 30.501 28.738 -0.373 0.000 1.259 287 Q HN 0.764 nan 8.270 nan 0.000 0.452 288 L N 1.562 122.239 121.223 -0.910 0.000 1.994 288 L HA 0.022 4.370 4.340 0.013 0.000 0.208 288 L C 0.363 176.757 176.870 -0.792 0.000 1.071 288 L CA 1.856 56.125 54.840 -0.952 0.000 0.745 288 L CB -0.065 41.333 42.059 -1.102 0.000 0.892 288 L HN 0.747 nan 8.230 nan 0.000 0.431 289 F N 0.839 120.648 119.950 -0.235 0.000 2.954 289 F HA 0.443 4.977 4.527 0.011 0.000 0.300 289 F C 0.871 176.590 175.800 -0.134 0.000 1.206 289 F CA 0.165 58.080 58.000 -0.141 0.000 1.345 289 F CB -1.348 37.559 39.000 -0.155 0.000 1.206 289 F HN 0.011 nan 8.300 nan 0.000 0.537 290 K N -0.719 119.627 120.400 -0.089 0.000 2.508 290 K HA 0.881 5.209 4.320 0.013 0.000 0.260 290 K C -0.570 175.982 176.600 -0.080 0.000 0.949 290 K CA -0.746 55.491 56.287 -0.084 0.000 0.834 290 K CB 1.833 nan 32.500 nan 0.000 1.365 290 K HN 0.059 nan 8.250 nan 0.000 0.437 291 S N -0.328 115.354 115.700 -0.031 0.000 2.732 291 S HA 0.732 5.210 4.470 0.013 0.000 0.293 291 S C -0.111 174.488 174.600 -0.001 0.000 1.159 291 S CA -0.041 58.156 58.200 -0.005 0.000 0.847 291 S CB 1.678 64.899 63.200 0.035 0.000 1.169 291 S HN 1.172 nan 8.310 nan 0.000 0.501 292 T N 0.021 114.585 114.554 0.015 0.000 2.913 292 T HA 0.340 4.698 4.350 0.013 0.000 0.297 292 T C -2.225 172.490 174.700 0.026 0.000 1.029 292 T CA -1.229 60.882 62.100 0.017 0.000 1.104 292 T CB 0.534 69.416 68.868 0.024 0.000 0.964 292 T HN 0.168 nan 8.240 nan 0.000 0.532 293 P HA 0.026 nan 4.420 nan 0.000 0.218 293 P C 1.845 179.170 177.300 0.042 0.000 1.149 293 P CA 1.736 64.854 63.100 0.029 0.000 0.817 293 P CB -0.236 31.478 31.700 0.023 0.000 0.785 294 E N 0.722 120.946 120.200 0.039 0.000 2.013 294 E HA -0.208 4.150 4.350 0.013 0.000 0.202 294 E C 0.640 177.277 176.600 0.061 0.000 1.018 294 E CA 1.395 57.821 56.400 0.044 0.000 0.834 294 E CB -1.290 nan 29.700 nan 0.000 0.770 294 E HN 0.403 nan 8.360 nan 0.000 0.459 295 E N 0.277 120.515 120.200 0.064 0.000 2.187 295 E HA 0.373 4.731 4.350 0.013 0.000 0.268 295 E C -0.385 176.270 176.600 0.093 0.000 0.896 295 E CA -0.596 55.858 56.400 0.090 0.000 0.766 295 E CB 1.899 31.653 29.700 0.089 0.000 1.142 295 E HN 0.367 nan 8.360 nan 0.000 0.408 296 Q N 1.328 121.196 119.800 0.113 0.000 2.169 296 Q HA 0.240 4.588 4.340 0.013 0.000 0.234 296 Q C -0.452 175.628 176.000 0.134 0.000 0.980 296 Q CA -0.576 55.289 55.803 0.104 0.000 0.941 296 Q CB 0.563 29.359 28.738 0.096 0.000 1.199 296 Q HN 0.534 nan 8.270 nan 0.000 0.496 297 D N 0.555 121.032 120.400 0.128 0.000 2.740 297 D HA -0.191 4.456 4.640 0.013 0.000 0.231 297 D C -0.560 175.839 176.300 0.166 0.000 1.194 297 D CA 0.694 54.792 54.000 0.163 0.000 0.673 297 D CB -1.276 39.644 40.800 0.200 0.000 0.995 297 D HN 0.315 nan 8.370 nan 0.000 0.411 298 L N 0.178 121.478 121.223 0.129 0.000 2.375 298 L HA 0.336 4.684 4.340 0.013 0.000 0.271 298 L C 2.106 179.017 176.870 0.067 0.000 1.107 298 L CA -0.855 54.046 54.840 0.101 0.000 0.806 298 L CB 0.928 43.032 42.059 0.076 0.000 1.146 298 L HN 0.169 nan 8.230 nan 0.000 0.447 299 L N 0.516 121.741 121.223 0.005 0.000 4.047 299 L HA -0.404 3.944 4.340 0.013 0.000 0.053 299 L C 0.335 177.057 176.870 -0.246 0.000 3.917 299 L CA 1.735 56.446 54.840 -0.215 0.000 1.105 299 L CB -1.200 40.687 42.059 -0.287 0.000 3.274 299 L HN 0.411 nan 8.230 nan 0.000 0.827 300 F N -0.167 119.911 119.950 0.214 0.000 2.321 300 F HA 0.426 4.960 4.527 0.013 0.000 0.318 300 F C 0.647 176.610 175.800 0.272 0.000 1.129 300 F CA -0.374 57.827 58.000 0.335 0.000 1.074 300 F CB 0.238 39.526 39.000 0.479 0.000 1.432 300 F HN 0.037 nan 8.300 nan 0.000 0.502 301 K N 1.343 122.012 120.400 0.448 0.000 2.316 301 K HA 0.118 4.446 4.320 0.013 0.000 0.289 301 K C -1.235 175.455 176.600 0.149 0.000 1.070 301 K CA -0.289 56.118 56.287 0.200 0.000 0.928 301 K CB -0.233 32.293 32.500 0.043 0.000 1.039 301 K HN 0.296 nan 8.250 nan 0.000 0.480 302 D N 3.116 123.583 120.400 0.112 0.000 2.533 302 D HA -0.046 4.602 4.640 0.013 0.000 0.236 302 D C -0.172 176.108 176.300 -0.033 0.000 1.137 302 D CA 0.890 54.935 54.000 0.075 0.000 0.867 302 D CB 0.318 41.139 40.800 0.035 0.000 1.170 302 D HN 0.672 nan 8.370 nan 0.000 0.474 303 S N -0.867 114.827 115.700 -0.011 0.000 3.695 303 S HA -0.138 4.340 4.470 0.013 0.000 0.310 303 S C 0.189 174.660 174.600 -0.214 0.000 1.166 303 S CA 0.493 58.634 58.200 -0.097 0.000 0.882 303 S CB -1.403 61.735 63.200 -0.103 0.000 0.949 303 S HN 0.788 nan 8.310 nan 0.000 0.540 304 A N 0.179 122.755 122.820 -0.407 0.000 2.302 304 A HA 0.749 5.077 4.320 0.013 0.000 0.285 304 A C 1.158 178.260 177.584 -0.804 0.000 1.105 304 A CA -0.534 51.161 52.037 -0.570 0.000 0.816 304 A CB 0.403 18.906 19.000 -0.829 0.000 1.067 304 A HN 0.392 nan 8.150 nan 0.000 0.489 305 L N 1.007 121.884 121.223 -0.576 0.000 2.341 305 L HA 0.297 4.644 4.340 0.013 0.000 0.214 305 L C 1.342 177.934 176.870 -0.463 0.000 1.115 305 L CA 0.983 55.574 54.840 -0.415 0.000 0.820 305 L CB -0.552 41.361 42.059 -0.243 0.000 0.944 305 L HN 1.006 nan 8.230 nan 0.000 0.452 306 G N -1.085 107.279 108.800 -0.728 0.000 2.373 306 G HA2 0.167 4.135 3.960 0.013 0.000 0.250 306 G HA3 0.167 4.135 3.960 0.013 0.000 0.250 306 G C -1.664 172.873 174.900 -0.606 0.000 1.304 306 G CA -0.842 43.934 45.100 -0.541 0.000 0.948 306 G HN -0.138 nan 8.290 nan 0.000 0.474 307 F N -0.331 119.657 119.950 0.063 0.000 2.611 307 F HA 0.760 5.294 4.527 0.011 0.000 0.324 307 F C 0.363 176.346 175.800 0.306 0.000 1.061 307 F CA -0.873 57.242 58.000 0.192 0.000 0.954 307 F CB 2.473 41.684 39.000 0.352 0.000 1.301 307 F HN 0.582 nan 8.300 nan 0.000 0.482 308 V N -0.506 119.700 119.914 0.486 0.000 2.638 308 V HA 0.607 4.735 4.120 0.013 0.000 0.306 308 V C -0.506 175.615 176.094 0.045 0.000 1.052 308 V CA -1.121 61.374 62.300 0.324 0.000 0.885 308 V CB 1.638 33.650 31.823 0.314 0.000 0.999 308 V HN 0.854 nan 8.190 nan 0.000 0.424 309 R N 3.286 123.521 120.500 -0.442 0.000 2.489 309 R HA 0.466 4.814 4.340 0.013 0.000 0.287 309 R C -0.581 175.383 176.300 -0.559 0.000 1.053 309 R CA -0.274 55.317 56.100 -0.849 0.000 1.036 309 R CB 0.513 30.020 30.300 -1.322 0.000 0.966 309 R HN 0.834 nan 8.270 nan 0.000 0.432 310 I N 7.729 127.951 120.570 -0.580 0.000 2.325 310 I HA 0.198 4.375 4.170 0.013 0.000 0.291 310 I C -1.795 173.981 176.117 -0.568 0.000 1.019 310 I CA -2.199 58.620 61.300 -0.803 0.000 1.302 310 I CB 1.356 39.004 38.000 -0.587 0.000 1.401 310 I HN 0.432 nan 8.210 nan 0.000 0.485 311 P HA -0.029 nan 4.420 nan 0.000 0.269 311 P C 0.456 177.620 177.300 -0.225 0.000 1.205 311 P CA 0.312 63.234 63.100 -0.297 0.000 0.780 311 P CB 0.540 32.117 31.700 -0.205 0.000 0.858 312 S N 0.241 115.849 115.700 -0.154 0.000 2.402 312 S HA -0.184 4.294 4.470 0.013 0.000 0.229 312 S C 1.779 176.331 174.600 -0.080 0.000 1.021 312 S CA 1.029 59.160 58.200 -0.115 0.000 0.974 312 S CB -0.463 62.683 63.200 -0.090 0.000 0.800 312 S HN 0.611 nan 8.310 nan 0.000 0.484 313 Q N 0.955 120.718 119.800 -0.061 0.000 2.084 313 Q HA -0.032 4.316 4.340 0.013 0.000 0.202 313 Q C 0.164 176.149 176.000 -0.026 0.000 0.978 313 Q CA 0.730 56.512 55.803 -0.035 0.000 0.844 313 Q CB -0.295 28.432 28.738 -0.019 0.000 0.898 313 Q HN 0.474 nan 8.270 nan 0.000 0.426 314 I N 3.660 124.213 120.570 -0.029 0.000 2.943 314 I HA -0.140 4.038 4.170 0.013 0.000 0.296 314 I C -0.077 176.044 176.117 0.005 0.000 1.220 314 I CA -0.098 61.206 61.300 0.006 0.000 1.409 314 I CB -0.262 37.746 38.000 0.012 0.000 1.374 314 I HN 0.311 nan 8.210 nan 0.000 0.545 315 D N 3.864 124.290 120.400 0.043 0.000 2.442 315 D HA 0.219 4.867 4.640 0.013 0.000 0.254 315 D C 0.968 177.331 176.300 0.106 0.000 1.069 315 D CA -0.665 53.359 54.000 0.040 0.000 1.017 315 D CB 0.765 41.585 40.800 0.032 0.000 1.172 315 D HN 0.459 nan 8.370 nan 0.000 0.561 316 S N -0.735 115.024 115.700 0.098 0.000 2.374 316 S HA -0.145 4.333 4.470 0.013 0.000 0.227 316 S C 2.091 176.827 174.600 0.227 0.000 1.037 316 S CA 1.237 59.544 58.200 0.180 0.000 1.024 316 S CB -1.399 61.874 63.200 0.123 0.000 0.861 316 S HN 0.724 nan 8.310 nan 0.000 0.456 317 G N 1.507 110.406 108.800 0.165 0.000 2.418 317 G HA2 -0.046 3.922 3.960 0.013 0.000 0.217 317 G HA3 -0.046 3.922 3.960 0.013 0.000 0.217 317 G C 1.454 176.438 174.900 0.140 0.000 1.158 317 G CA 0.870 46.068 45.100 0.164 0.000 0.771 317 G HN 0.500 nan 8.290 nan 0.000 0.545 318 L N -1.196 120.104 121.223 0.130 0.000 2.179 318 L HA 0.081 4.428 4.340 0.013 0.000 0.208 318 L C 2.497 179.450 176.870 0.139 0.000 1.096 318 L CA 0.450 55.358 54.840 0.112 0.000 0.779 318 L CB -0.242 41.875 42.059 0.097 0.000 0.922 318 L HN 0.282 nan 8.230 nan 0.000 0.443 319 Y N 0.798 121.144 120.300 0.078 0.000 2.128 319 Y HA -0.278 4.279 4.550 0.013 0.000 0.284 319 Y C 2.169 178.111 175.900 0.070 0.000 1.154 319 Y CA 1.741 59.900 58.100 0.098 0.000 1.149 319 Y CB -0.250 38.255 38.460 0.075 0.000 0.976 319 Y HN 0.031 nan 8.280 nan 0.000 0.505 320 L N -0.655 120.512 121.223 -0.092 0.000 2.131 320 L HA 0.178 4.526 4.340 0.013 0.000 0.206 320 L C 1.341 178.170 176.870 -0.069 0.000 1.087 320 L CA 0.580 55.314 54.840 -0.177 0.000 0.767 320 L CB -1.141 40.913 42.059 -0.009 0.000 0.917 320 L HN 0.429 nan 8.230 nan 0.000 0.441 321 G N -1.400 107.407 108.800 0.012 0.000 2.663 321 G HA2 -0.066 3.901 3.960 0.013 0.000 0.686 321 G HA3 -0.066 3.901 3.960 0.013 0.000 0.686 321 G C 0.444 175.381 174.900 0.061 0.000 1.288 321 G CA -0.249 44.865 45.100 0.023 0.000 0.836 321 G HN 0.193 nan 8.290 nan 0.000 0.584 322 A N 0.405 123.249 122.820 0.040 0.000 1.841 322 A HA -0.105 4.223 4.320 0.013 0.000 0.216 322 A C 2.344 179.954 177.584 0.044 0.000 1.199 322 A CA 2.757 54.817 52.037 0.039 0.000 0.621 322 A CB -0.908 18.102 19.000 0.018 0.000 0.835 322 A HN 1.202 nan 8.150 nan 0.000 0.445 323 N N -1.235 117.486 118.700 0.036 0.000 2.049 323 N HA -0.253 4.495 4.740 0.013 0.000 0.198 323 N C 1.561 177.093 175.510 0.037 0.000 1.030 323 N CA 2.135 55.202 53.050 0.029 0.000 0.870 323 N CB -0.756 37.749 38.487 0.030 0.000 1.045 323 N HN 0.649 nan 8.380 nan 0.000 0.434 324 Y N 0.790 121.068 120.300 -0.037 0.000 2.242 324 Y HA 0.019 4.576 4.550 0.012 0.000 0.291 324 Y C 2.013 177.879 175.900 -0.056 0.000 1.137 324 Y CA 1.133 59.206 58.100 -0.045 0.000 1.181 324 Y CB -0.210 38.221 38.460 -0.047 0.000 0.989 324 Y HN 0.033 nan 8.280 nan 0.000 0.527 325 L N -0.682 120.641 121.223 0.168 0.000 2.056 325 L HA -0.208 4.140 4.340 0.013 0.000 0.207 325 L C 2.671 179.537 176.870 -0.008 0.000 1.078 325 L CA 1.774 56.673 54.840 0.098 0.000 0.749 325 L CB -1.143 41.012 42.059 0.160 0.000 0.901 325 L HN 0.356 nan 8.230 nan 0.000 0.433 326 T N -1.832 112.718 114.554 -0.006 0.000 2.607 326 T HA -0.272 4.086 4.350 0.013 0.000 0.267 326 T C 1.967 176.620 174.700 -0.077 0.000 1.049 326 T CA 1.323 63.406 62.100 -0.028 0.000 1.162 326 T CB -0.634 68.219 68.868 -0.024 0.000 0.863 326 T HN 0.307 nan 8.240 nan 0.000 0.424 327 A N 1.760 124.501 122.820 -0.131 0.000 1.892 327 A HA -0.096 4.232 4.320 0.013 0.000 0.218 327 A C 2.709 180.163 177.584 -0.217 0.000 1.188 327 A CA 2.631 54.559 52.037 -0.182 0.000 0.631 327 A CB -1.628 17.225 19.000 -0.245 0.000 0.822 327 A HN 0.662 nan 8.150 nan 0.000 0.447 328 T N -0.195 114.167 114.554 -0.321 0.000 2.701 328 T HA -0.177 4.181 4.350 0.013 0.000 0.263 328 T C 2.027 176.606 174.700 -0.202 0.000 1.040 328 T CA 1.571 63.468 62.100 -0.339 0.000 1.147 328 T CB -0.349 68.145 68.868 -0.624 0.000 0.865 328 T HN 0.586 nan 8.240 nan 0.000 0.426 329 Q N 0.836 120.544 119.800 -0.152 0.000 2.234 329 Q HA -0.066 4.282 4.340 0.013 0.000 0.206 329 Q C 1.878 177.892 176.000 0.023 0.000 0.980 329 Q CA 1.003 56.812 55.803 0.009 0.000 0.869 329 Q CB -0.309 28.468 28.738 0.065 0.000 0.912 329 Q HN 0.636 nan 8.270 nan 0.000 0.436 330 N N -0.263 118.429 118.700 -0.014 0.000 2.515 330 N HA -0.012 4.735 4.740 0.013 0.000 0.185 330 N C 0.858 176.408 175.510 0.067 0.000 1.109 330 N CA 0.131 53.186 53.050 0.008 0.000 0.903 330 N CB 0.240 38.711 38.487 -0.026 0.000 0.969 330 N HN 0.205 nan 8.380 nan 0.000 0.450 331 L N 0.857 122.130 121.223 0.083 0.000 2.607 331 L HA 0.167 4.515 4.340 0.013 0.000 0.228 331 L C 1.316 178.365 176.870 0.299 0.000 1.123 331 L CA 0.109 55.064 54.840 0.191 0.000 0.890 331 L CB 0.060 42.174 42.059 0.092 0.000 1.103 331 L HN 0.225 nan 8.230 nan 0.000 0.468 332 R N -0.770 119.847 120.500 0.195 0.000 2.600 332 R HA 0.361 4.709 4.340 0.013 0.000 0.392 332 R C -0.295 176.064 176.300 0.099 0.000 1.032 332 R CA -0.131 56.081 56.100 0.186 0.000 1.139 332 R CB 0.503 30.912 30.300 0.181 0.000 1.400 332 R HN 0.216 nan 8.270 nan 0.000 0.566 333 E N 1.407 121.639 120.200 0.053 0.000 2.359 333 E HA 0.255 4.612 4.350 0.013 0.000 0.266 333 E C -0.743 175.792 176.600 -0.108 0.000 0.920 333 E CA -0.960 55.429 56.400 -0.018 0.000 0.788 333 E CB 2.186 31.884 29.700 -0.003 0.000 1.279 333 E HN 0.191 nan 8.360 nan 0.000 0.438 334 T N -1.498 112.977 114.554 -0.132 0.000 2.904 334 T HA 0.325 4.683 4.350 0.013 0.000 0.290 334 T C 1.173 175.784 174.700 -0.148 0.000 1.018 334 T CA -0.134 61.848 62.100 -0.197 0.000 1.075 334 T CB 1.469 70.240 68.868 -0.163 0.000 0.986 334 T HN 0.545 nan 8.240 nan 0.000 0.523 335 A N 2.084 124.803 122.820 -0.167 0.000 1.948 335 A HA 0.025 4.353 4.320 0.013 0.000 0.220 335 A C 2.590 180.124 177.584 -0.083 0.000 1.177 335 A CA 2.021 53.993 52.037 -0.109 0.000 0.636 335 A CB -1.474 17.463 19.000 -0.105 0.000 0.815 335 A HN 1.267 nan 8.150 nan 0.000 0.449 336 A N -0.876 121.893 122.820 -0.086 0.000 2.014 336 A HA -0.073 4.255 4.320 0.013 0.000 0.218 336 A C 1.915 179.466 177.584 -0.056 0.000 1.163 336 A CA 1.435 53.434 52.037 -0.065 0.000 0.652 336 A CB -0.366 18.596 19.000 -0.063 0.000 0.808 336 A HN 0.643 nan 8.150 nan 0.000 0.449 337 E N -0.433 119.731 120.200 -0.061 0.000 2.072 337 E HA -0.089 4.269 4.350 0.013 0.000 0.190 337 E C 1.986 178.562 176.600 -0.040 0.000 0.982 337 E CA 1.091 57.463 56.400 -0.047 0.000 0.803 337 E CB -0.141 29.531 29.700 -0.046 0.000 0.755 337 E HN 0.390 nan 8.360 nan 0.000 0.453 338 V N 1.374 121.260 119.914 -0.046 0.000 2.223 338 V HA -0.285 3.843 4.120 0.013 0.000 0.244 338 V C 2.342 178.409 176.094 -0.044 0.000 1.045 338 V CA 2.017 64.292 62.300 -0.042 0.000 1.000 338 V CB -0.771 31.026 31.823 -0.043 0.000 0.635 338 V HN 0.334 nan 8.190 nan 0.000 0.445 339 A N -0.338 122.454 122.820 -0.046 0.000 2.024 339 A HA -0.138 4.190 4.320 0.013 0.000 0.220 339 A C 2.341 179.903 177.584 -0.037 0.000 1.164 339 A CA 2.157 54.168 52.037 -0.044 0.000 0.643 339 A CB -0.701 18.275 19.000 -0.041 0.000 0.806 339 A HN 0.617 nan 8.150 nan 0.000 0.451 340 A N 0.090 122.890 122.820 -0.033 0.000 1.855 340 A HA -0.118 4.210 4.320 0.013 0.000 0.215 340 A C 2.159 179.729 177.584 -0.023 0.000 1.191 340 A CA 1.991 54.013 52.037 -0.024 0.000 0.613 340 A CB -0.479 18.506 19.000 -0.025 0.000 0.829 340 A HN 0.474 nan 8.150 nan 0.000 0.442 341 R N -0.042 120.441 120.500 -0.029 0.000 2.127 341 R HA -0.086 4.262 4.340 0.013 0.000 0.238 341 R C 2.111 178.382 176.300 -0.048 0.000 1.134 341 R CA 1.944 58.026 56.100 -0.028 0.000 0.975 341 R CB -0.533 29.751 30.300 -0.025 0.000 0.865 341 R HN 0.510 nan 8.270 nan 0.000 0.447 342 R N -0.164 120.293 120.500 -0.071 0.000 2.189 342 R HA -0.014 4.334 4.340 0.013 0.000 0.218 342 R C 1.625 177.800 176.300 -0.209 0.000 1.074 342 R CA 1.581 57.599 56.100 -0.136 0.000 0.991 342 R CB 0.103 30.330 30.300 -0.121 0.000 0.883 342 R HN 0.428 nan 8.270 nan 0.000 0.457 343 E N 0.014 120.173 120.200 -0.069 0.000 2.216 343 E HA -0.044 4.313 4.350 0.013 0.000 0.192 343 E C 0.589 177.303 176.600 0.189 0.000 0.973 343 E CA 0.103 56.543 56.400 0.067 0.000 0.851 343 E CB 0.249 29.989 29.700 0.066 0.000 0.804 343 E HN 0.340 nan 8.360 nan 0.000 0.477 344 R N 0.671 121.225 120.500 0.090 0.000 2.697 344 R HA 0.440 4.788 4.340 0.013 0.000 0.262 344 R C -0.235 176.152 176.300 0.146 0.000 1.255 344 R CA -0.434 55.716 56.100 0.082 0.000 1.136 344 R CB 0.510 30.817 30.300 0.012 0.000 1.169 344 R HN -0.203 nan 8.270 nan 0.000 0.594 345 V N 0.985 120.944 119.914 0.075 0.000 2.610 345 V HA 0.198 4.326 4.120 0.013 0.000 0.298 345 V C -0.926 175.206 176.094 0.064 0.000 1.067 345 V CA -0.859 61.505 62.300 0.108 0.000 0.894 345 V CB 2.034 33.934 31.823 0.130 0.000 1.015 345 V HN 0.558 nan 8.190 nan 0.000 0.432 346 V N 4.995 124.950 119.914 0.068 0.000 2.385 346 V HA 0.319 4.447 4.120 0.013 0.000 0.269 346 V C -0.116 176.046 176.094 0.113 0.000 1.043 346 V CA -0.346 61.991 62.300 0.062 0.000 0.906 346 V CB 1.278 33.116 31.823 0.024 0.000 0.995 346 V HN 0.827 nan 8.190 nan 0.000 0.467 347 W N 5.007 126.274 121.300 -0.056 0.000 2.438 347 W HA 0.387 5.055 4.660 0.013 0.000 0.324 347 W C -0.356 176.171 176.519 0.014 0.000 1.119 347 W CA -0.730 56.615 57.345 0.001 0.000 1.221 347 W CB 1.762 31.242 29.460 0.034 0.000 1.253 347 W HN 0.549 nan 8.180 nan 0.000 0.555 348 c N 5.788 124.275 118.600 -0.188 0.000 2.223 348 c HA 0.670 5.248 4.570 0.013 0.000 0.324 348 c C 0.430 174.544 174.090 0.040 0.000 1.196 348 c CA -0.309 55.979 56.329 -0.069 0.000 1.628 348 c CB -1.194 41.222 42.510 -0.157 0.000 2.229 348 c HN 0.546 nan 8.230 nan 0.000 0.486 349 A N 5.352 128.258 122.820 0.143 0.000 2.328 349 A HA 0.579 4.907 4.320 0.013 0.000 0.284 349 A C -0.197 177.428 177.584 0.069 0.000 1.160 349 A CA -0.247 51.894 52.037 0.173 0.000 0.818 349 A CB 0.517 19.630 19.000 0.188 0.000 1.087 349 A HN 0.823 nan 8.150 nan 0.000 0.504 350 V N 3.219 123.164 119.914 0.051 0.000 2.299 350 V HA 0.565 4.693 4.120 0.013 0.000 0.255 350 V C 0.928 177.009 176.094 -0.021 0.000 1.100 350 V CA 0.902 63.194 62.300 -0.012 0.000 0.938 350 V CB -0.850 30.951 31.823 -0.036 0.000 1.139 350 V HN 1.833 nan 8.190 nan 0.000 0.490 351 G N 6.921 115.705 108.800 -0.026 0.000 2.699 351 G HA2 -0.095 3.872 3.960 0.013 0.000 0.686 351 G HA3 -0.095 3.872 3.960 0.013 0.000 0.686 351 G C -1.368 173.536 174.900 0.006 0.000 1.301 351 G CA -0.312 44.770 45.100 -0.031 0.000 0.816 351 G HN 0.487 nan 8.290 nan 0.000 0.595 352 P HA -0.223 nan 4.420 nan 0.000 0.216 352 P C 1.312 178.637 177.300 0.041 0.000 1.167 352 P CA 2.374 65.486 63.100 0.020 0.000 0.914 352 P CB -0.073 31.634 31.700 0.011 0.000 0.793 353 E N -0.129 120.098 120.200 0.046 0.000 2.153 353 E HA -0.169 4.189 4.350 0.013 0.000 0.194 353 E C 2.139 178.792 176.600 0.088 0.000 0.988 353 E CA 0.897 57.337 56.400 0.066 0.000 0.811 353 E CB -0.256 29.487 29.700 0.071 0.000 0.746 353 E HN 0.525 nan 8.360 nan 0.000 0.466 354 E N 0.768 121.025 120.200 0.094 0.000 2.122 354 E HA -0.134 4.224 4.350 0.013 0.000 0.190 354 E C 2.032 178.718 176.600 0.144 0.000 0.977 354 E CA 0.315 56.793 56.400 0.130 0.000 0.820 354 E CB 0.065 29.848 29.700 0.139 0.000 0.770 354 E HN 0.257 nan 8.360 nan 0.000 0.462 355 E N 1.397 121.663 120.200 0.110 0.000 2.110 355 E HA -0.208 4.150 4.350 0.013 0.000 0.193 355 E C 2.069 178.731 176.600 0.103 0.000 0.988 355 E CA 0.869 57.332 56.400 0.104 0.000 0.804 355 E CB 0.167 29.908 29.700 0.068 0.000 0.745 355 E HN 0.106 nan 8.360 nan 0.000 0.458 356 R N 0.423 120.978 120.500 0.093 0.000 2.070 356 R HA -0.147 4.201 4.340 0.013 0.000 0.233 356 R C 2.599 178.974 176.300 0.126 0.000 1.137 356 R CA 1.729 57.883 56.100 0.090 0.000 0.945 356 R CB -0.315 30.031 30.300 0.076 0.000 0.845 356 R HN 0.056 nan 8.270 nan 0.000 0.430 357 K N 0.577 121.070 120.400 0.156 0.000 2.074 357 K HA -0.230 4.098 4.320 0.013 0.000 0.209 357 K C 2.213 178.986 176.600 0.288 0.000 1.048 357 K CA 1.867 58.293 56.287 0.232 0.000 0.926 357 K CB -0.416 32.208 32.500 0.205 0.000 0.713 357 K HN 0.214 nan 8.250 nan 0.000 0.444 358 c N 1.359 120.107 118.600 0.247 0.000 2.413 358 c HA -0.073 4.505 4.570 0.013 0.000 0.276 358 c C 2.419 176.588 174.090 0.132 0.000 1.236 358 c CA 1.020 57.503 56.329 0.257 0.000 1.735 358 c CB -0.732 41.916 42.510 0.231 0.000 2.031 358 c HN 0.486 nan 8.230 nan 0.000 0.474 359 K N 0.340 120.795 120.400 0.091 0.000 2.074 359 K HA -0.191 4.136 4.320 0.013 0.000 0.209 359 K C 2.056 178.651 176.600 -0.007 0.000 1.048 359 K CA 1.717 58.022 56.287 0.030 0.000 0.926 359 K CB -0.656 31.867 32.500 0.037 0.000 0.713 359 K HN 0.704 nan 8.250 nan 0.000 0.444 360 Q N -1.012 118.808 119.800 0.035 0.000 2.079 360 Q HA -0.169 4.179 4.340 0.013 0.000 0.200 360 Q C 1.944 177.733 176.000 -0.352 0.000 0.974 360 Q CA 1.117 56.901 55.803 -0.032 0.000 0.840 360 Q CB -0.244 28.606 28.738 0.186 0.000 0.898 360 Q HN 0.367 nan 8.270 nan 0.000 0.430 361 W N 1.128 121.991 121.300 -0.728 0.000 2.392 361 W HA -0.108 4.560 4.660 0.013 0.000 0.279 361 W C 2.388 178.538 176.519 -0.615 0.000 1.225 361 W CA 1.214 57.867 57.345 -1.153 0.000 1.233 361 W CB -0.514 28.517 29.460 -0.715 0.000 1.122 361 W HN 0.022 nan 8.180 nan 0.000 0.561 362 S N 0.183 115.720 115.700 -0.272 0.000 2.338 362 S HA -0.181 4.297 4.470 0.013 0.000 0.218 362 S C 1.628 176.095 174.600 -0.223 0.000 1.032 362 S CA 1.880 59.913 58.200 -0.278 0.000 0.999 362 S CB -0.618 62.485 63.200 -0.161 0.000 0.905 362 S HN 0.138 nan 8.310 nan 0.000 0.439 363 D N 1.169 121.470 120.400 -0.165 0.000 2.127 363 D HA -0.112 4.536 4.640 0.013 0.000 0.190 363 D C 2.063 178.287 176.300 -0.126 0.000 1.000 363 D CA 1.576 55.505 54.000 -0.118 0.000 0.839 363 D CB -0.996 39.756 40.800 -0.080 0.000 0.955 363 D HN 0.319 nan 8.370 nan 0.000 0.446 364 V N 1.114 120.909 119.914 -0.199 0.000 2.688 364 V HA -0.197 3.931 4.120 0.013 0.000 0.256 364 V C 2.182 178.233 176.094 -0.072 0.000 1.084 364 V CA 1.922 64.119 62.300 -0.172 0.000 1.103 364 V CB -0.680 30.904 31.823 -0.398 0.000 0.688 364 V HN 0.268 nan 8.190 nan 0.000 0.480 365 S N -1.214 114.405 115.700 -0.134 0.000 2.556 365 S HA 0.104 4.582 4.470 0.013 0.000 0.216 365 S C 0.892 175.477 174.600 -0.025 0.000 0.970 365 S CA 0.318 58.504 58.200 -0.023 0.000 0.912 365 S CB -0.442 62.670 63.200 -0.147 0.000 0.790 365 S HN 0.554 nan 8.310 nan 0.000 0.504 366 N N 2.495 121.168 118.700 -0.045 0.000 2.756 366 N HA -0.194 4.554 4.740 0.013 0.000 0.248 366 N C -0.234 175.246 175.510 -0.050 0.000 1.062 366 N CA 0.759 53.789 53.050 -0.033 0.000 0.696 366 N CB -1.601 36.883 38.487 -0.004 0.000 0.946 366 N HN 0.565 nan 8.380 nan 0.000 0.548 367 R N -1.930 118.518 120.500 -0.087 0.000 3.758 367 R HA -0.271 4.077 4.340 0.013 0.000 0.299 367 R C 0.647 176.894 176.300 -0.089 0.000 1.182 367 R CA 1.474 57.516 56.100 -0.096 0.000 0.809 367 R CB -1.434 28.826 30.300 -0.067 0.000 1.249 367 R HN 0.591 nan 8.270 nan 0.000 0.497 368 K N 0.175 120.515 120.400 -0.101 0.000 2.296 368 K HA 0.044 4.372 4.320 0.013 0.000 0.200 368 K C 0.831 177.348 176.600 -0.139 0.000 1.048 368 K CA 1.014 57.255 56.287 -0.078 0.000 0.966 368 K CB 0.439 32.903 32.500 -0.059 0.000 0.754 368 K HN -0.036 nan 8.250 nan 0.000 0.466 369 V N 0.912 120.670 119.914 -0.261 0.000 2.540 369 V HA 0.552 4.680 4.120 0.013 0.000 0.302 369 V C -0.549 175.373 176.094 -0.287 0.000 1.035 369 V CA -0.918 61.154 62.300 -0.380 0.000 0.873 369 V CB 1.538 32.825 31.823 -0.894 0.000 0.992 369 V HN 0.165 nan 8.190 nan 0.000 0.428 370 A N 3.241 125.959 122.820 -0.170 0.000 2.435 370 A HA 0.920 5.248 4.320 0.013 0.000 0.296 370 A C -0.747 176.820 177.584 -0.028 0.000 1.147 370 A CA -0.493 51.488 52.037 -0.093 0.000 0.775 370 A CB 1.739 20.708 19.000 -0.051 0.000 1.340 370 A HN 0.845 nan 8.150 nan 0.000 0.427 371 c N -0.359 118.245 118.600 0.008 0.000 2.667 371 c HA 0.989 5.567 4.570 0.013 0.000 0.323 371 c C 0.432 174.553 174.090 0.051 0.000 1.214 371 c CA -0.110 56.259 56.329 0.067 0.000 1.721 371 c CB 1.135 43.696 42.510 0.085 0.000 2.275 371 c HN 1.298 nan 8.230 nan 0.000 0.491 372 A N 1.227 124.086 122.820 0.065 0.000 2.539 372 A HA 0.963 5.291 4.320 0.013 0.000 0.296 372 A C -0.583 177.025 177.584 0.039 0.000 1.073 372 A CA -0.265 51.793 52.037 0.034 0.000 0.700 372 A CB 1.471 20.480 19.000 0.015 0.000 1.296 372 A HN 1.363 nan 8.150 nan 0.000 0.405 373 S N -0.220 115.493 115.700 0.021 0.000 2.595 373 S HA 0.964 5.442 4.470 0.013 0.000 0.281 373 S C -0.449 174.146 174.600 -0.008 0.000 1.117 373 S CA -0.126 58.083 58.200 0.016 0.000 0.873 373 S CB 1.773 64.988 63.200 0.025 0.000 1.108 373 S HN 2.417 nan 8.310 nan 0.000 0.477 374 A N 0.678 123.485 122.820 -0.022 0.000 2.594 374 A HA 0.787 5.115 4.320 0.013 0.000 0.291 374 A C 0.401 177.952 177.584 -0.055 0.000 1.105 374 A CA -0.468 51.545 52.037 -0.040 0.000 0.694 374 A CB 0.809 19.776 19.000 -0.055 0.000 1.291 374 A HN 1.091 nan 8.150 nan 0.000 0.410 375 S N -0.283 115.377 115.700 -0.065 0.000 2.496 375 S HA 0.172 4.650 4.470 0.013 0.000 0.224 375 S C 0.786 175.312 174.600 -0.123 0.000 0.996 375 S CA 1.103 59.252 58.200 -0.085 0.000 0.927 375 S CB -0.406 62.750 63.200 -0.073 0.000 0.774 375 S HN 1.407 nan 8.310 nan 0.000 0.524 376 T N -1.862 112.616 114.554 -0.126 0.000 2.883 376 T HA 0.409 4.767 4.350 0.013 0.000 0.301 376 T C 0.667 175.249 174.700 -0.198 0.000 1.158 376 T CA -0.651 61.350 62.100 -0.164 0.000 1.007 376 T CB 1.418 70.202 68.868 -0.141 0.000 1.186 376 T HN -0.118 nan 8.240 nan 0.000 0.499 377 T N 0.982 115.358 114.554 -0.296 0.000 2.881 377 T HA -0.089 4.269 4.350 0.013 0.000 0.270 377 T C 1.712 176.181 174.700 -0.385 0.000 1.068 377 T CA 1.389 63.244 62.100 -0.408 0.000 1.131 377 T CB -0.202 68.224 68.868 -0.737 0.000 0.871 377 T HN 0.749 nan 8.240 nan 0.000 0.479 378 E N 1.881 121.887 120.200 -0.322 0.000 2.107 378 E HA -0.093 4.265 4.350 0.013 0.000 0.191 378 E C 1.985 178.514 176.600 -0.119 0.000 0.982 378 E CA 0.747 57.039 56.400 -0.180 0.000 0.809 378 E CB -0.318 29.327 29.700 -0.092 0.000 0.756 378 E HN 0.594 nan 8.360 nan 0.000 0.459 379 E N 0.466 120.598 120.200 -0.113 0.000 2.153 379 E HA -0.136 4.222 4.350 0.013 0.000 0.194 379 E C 2.113 178.665 176.600 -0.080 0.000 0.988 379 E CA 0.997 57.350 56.400 -0.079 0.000 0.811 379 E CB -0.154 29.503 29.700 -0.071 0.000 0.746 379 E HN 0.204 nan 8.360 nan 0.000 0.466 380 c N 0.304 118.838 118.600 -0.109 0.000 2.466 380 c HA -0.058 4.520 4.570 0.013 0.000 0.278 380 c C 2.534 176.561 174.090 -0.104 0.000 1.288 380 c CA 0.239 56.503 56.329 -0.108 0.000 1.722 380 c CB -0.631 41.798 42.510 -0.134 0.000 2.017 380 c HN 0.401 nan 8.230 nan 0.000 0.488 381 I N 1.244 121.749 120.570 -0.108 0.000 2.286 381 I HA -0.194 3.983 4.170 0.013 0.000 0.248 381 I C 2.736 178.821 176.117 -0.052 0.000 1.115 381 I CA 1.477 62.729 61.300 -0.080 0.000 1.392 381 I CB -0.610 37.352 38.000 -0.064 0.000 1.065 381 I HN 0.280 nan 8.210 nan 0.000 0.418 382 A N 1.418 124.210 122.820 -0.045 0.000 1.883 382 A HA -0.179 4.149 4.320 0.013 0.000 0.217 382 A C 2.325 179.898 177.584 -0.018 0.000 1.186 382 A CA 1.447 53.470 52.037 -0.022 0.000 0.624 382 A CB -0.894 18.094 19.000 -0.019 0.000 0.822 382 A HN 0.364 nan 8.150 nan 0.000 0.444 383 L N -0.470 120.735 121.223 -0.031 0.000 2.013 383 L HA -0.207 4.141 4.340 0.013 0.000 0.212 383 L C 2.558 179.411 176.870 -0.029 0.000 1.073 383 L CA 1.503 56.328 54.840 -0.025 0.000 0.753 383 L CB -0.832 41.204 42.059 -0.038 0.000 0.890 383 L HN 0.267 nan 8.230 nan 0.000 0.432 384 V N 0.119 120.003 119.914 -0.050 0.000 2.407 384 V HA -0.278 3.850 4.120 0.013 0.000 0.248 384 V C 2.384 178.462 176.094 -0.027 0.000 1.055 384 V CA 1.581 63.849 62.300 -0.053 0.000 1.049 384 V CB -0.314 31.461 31.823 -0.080 0.000 0.662 384 V HN 0.355 nan 8.190 nan 0.000 0.455 385 L N -0.803 120.410 121.223 -0.017 0.000 2.156 385 L HA -0.095 4.253 4.340 0.013 0.000 0.208 385 L C 2.504 179.383 176.870 0.015 0.000 1.095 385 L CA 1.331 56.170 54.840 -0.001 0.000 0.770 385 L CB -0.483 41.577 42.059 0.003 0.000 0.914 385 L HN 0.245 nan 8.230 nan 0.000 0.439 386 K N -0.087 120.326 120.400 0.020 0.000 2.217 386 K HA 0.009 4.337 4.320 0.013 0.000 0.202 386 K C 1.262 177.886 176.600 0.040 0.000 1.051 386 K CA 0.867 57.179 56.287 0.042 0.000 0.952 386 K CB 0.013 32.541 32.500 0.046 0.000 0.736 386 K HN 0.433 nan 8.250 nan 0.000 0.453 387 G N 1.492 110.304 108.800 0.019 0.000 2.134 387 G HA2 -0.222 3.746 3.960 0.013 0.000 0.209 387 G HA3 -0.222 3.746 3.960 0.013 0.000 0.209 387 G C 0.291 175.198 174.900 0.012 0.000 0.993 387 G CA 0.105 45.213 45.100 0.014 0.000 0.669 387 G HN 0.374 nan 8.290 nan 0.000 0.519 388 E N -0.187 120.019 120.200 0.010 0.000 2.479 388 E HA 0.521 4.879 4.350 0.013 0.000 0.193 388 E C 0.990 177.587 176.600 -0.005 0.000 1.049 388 E CA 0.649 57.055 56.400 0.009 0.000 0.870 388 E CB 0.528 30.238 29.700 0.017 0.000 0.944 388 E HN 0.858 nan 8.360 nan 0.000 0.492 389 A N 0.259 123.066 122.820 -0.021 0.000 2.587 389 A HA 0.347 4.675 4.320 0.013 0.000 0.293 389 A C -0.708 176.843 177.584 -0.055 0.000 1.087 389 A CA -0.734 51.279 52.037 -0.041 0.000 0.692 389 A CB 1.344 20.302 19.000 -0.070 0.000 1.291 389 A HN -0.084 nan 8.150 nan 0.000 0.407 390 D N -0.047 120.316 120.400 -0.062 0.000 2.380 390 D HA 0.448 5.096 4.640 0.013 0.000 0.212 390 D C 0.721 176.936 176.300 -0.142 0.000 1.021 390 D CA 1.621 55.588 54.000 -0.055 0.000 0.884 390 D CB 0.939 41.752 40.800 0.022 0.000 1.001 390 D HN 0.921 nan 8.370 nan 0.000 0.506 391 A N 0.059 122.685 122.820 -0.324 0.000 2.511 391 A HA 0.636 4.963 4.320 0.013 0.000 0.293 391 A C -2.184 174.761 177.584 -1.065 0.000 1.098 391 A CA -0.711 50.985 52.037 -0.569 0.000 0.643 391 A CB 1.154 19.842 19.000 -0.521 0.000 1.302 391 A HN 0.044 nan 8.150 nan 0.000 0.446 392 L N -2.069 118.571 121.223 -0.972 0.000 2.731 392 L HA 0.620 4.968 4.340 0.013 0.000 0.256 392 L C -1.003 175.674 176.870 -0.321 0.000 0.947 392 L CA -1.100 53.219 54.840 -0.870 0.000 0.914 392 L CB 0.615 42.376 42.059 -0.497 0.000 1.470 392 L HN 0.655 nan 8.230 nan 0.000 0.421 393 N N 1.164 119.833 118.700 -0.053 0.000 2.458 393 N HA 0.720 5.468 4.740 0.013 0.000 0.270 393 N C -1.169 174.409 175.510 0.112 0.000 1.102 393 N CA 0.009 53.121 53.050 0.104 0.000 0.967 393 N CB 0.543 39.056 38.487 0.044 0.000 1.078 393 N HN 0.746 nan 8.380 nan 0.000 0.471 394 L N 1.355 122.669 121.223 0.151 0.000 2.323 394 L HA 0.438 4.785 4.340 0.013 0.000 0.265 394 L C -0.004 176.928 176.870 0.103 0.000 1.012 394 L CA -1.197 53.730 54.840 0.145 0.000 0.820 394 L CB 1.800 43.944 42.059 0.142 0.000 1.334 394 L HN 0.518 nan 8.230 nan 0.000 0.427 395 D N 0.217 120.595 120.400 -0.037 0.000 2.313 395 D HA 0.203 4.851 4.640 0.013 0.000 0.247 395 D C 1.282 177.595 176.300 0.021 0.000 1.094 395 D CA 0.328 54.096 54.000 -0.386 0.000 0.925 395 D CB 1.854 42.498 40.800 -0.259 0.000 1.188 395 D HN 0.600 nan 8.370 nan 0.000 0.430 396 G N 2.144 111.003 108.800 0.097 0.000 2.550 396 G HA2 -0.298 3.670 3.960 0.013 0.000 0.222 396 G HA3 -0.298 3.670 3.960 0.013 0.000 0.222 396 G C 1.316 176.395 174.900 0.298 0.000 1.113 396 G CA 0.960 46.220 45.100 0.267 0.000 0.748 396 G HN 0.618 nan 8.290 nan 0.000 0.585 397 G N 0.023 108.917 108.800 0.156 0.000 2.394 397 G HA2 -0.019 3.949 3.960 0.013 0.000 0.215 397 G HA3 -0.019 3.949 3.960 0.013 0.000 0.215 397 G C 1.433 176.237 174.900 -0.161 0.000 1.165 397 G CA 0.544 45.617 45.100 -0.044 0.000 0.784 397 G HN 0.363 nan 8.290 nan 0.000 0.535 398 F N 0.417 120.424 119.950 0.095 0.000 2.710 398 F HA 0.349 4.884 4.527 0.013 0.000 0.298 398 F C 2.284 178.120 175.800 0.058 0.000 1.137 398 F CA -0.316 57.723 58.000 0.065 0.000 1.444 398 F CB -0.006 39.010 39.000 0.027 0.000 1.111 398 F HN 0.050 nan 8.300 nan 0.000 0.580 399 I N -1.087 119.621 120.570 0.230 0.000 2.226 399 I HA -0.353 3.825 4.170 0.013 0.000 0.245 399 I C 2.442 178.608 176.117 0.083 0.000 1.100 399 I CA 1.304 62.720 61.300 0.194 0.000 1.374 399 I CB -0.379 37.797 38.000 0.293 0.000 1.057 399 I HN 0.134 nan 8.210 nan 0.000 0.413 400 Y N 1.322 121.576 120.300 -0.077 0.000 2.053 400 Y HA -0.310 4.248 4.550 0.013 0.000 0.277 400 Y C 2.436 178.151 175.900 -0.308 0.000 1.159 400 Y CA 2.136 60.052 58.100 -0.308 0.000 1.125 400 Y CB -0.576 37.720 38.460 -0.274 0.000 0.969 400 Y HN -0.106 nan 8.280 nan 0.000 0.492 401 V N 0.592 120.450 119.914 -0.094 0.000 2.295 401 V HA -0.343 3.785 4.120 0.013 0.000 0.246 401 V C 2.697 178.702 176.094 -0.147 0.000 1.049 401 V CA 1.884 64.116 62.300 -0.114 0.000 1.024 401 V CB -1.770 30.153 31.823 0.166 0.000 0.648 401 V HN 0.594 nan 8.190 nan 0.000 0.447 402 A N 0.746 123.534 122.820 -0.052 0.000 1.877 402 A HA -0.108 4.220 4.320 0.013 0.000 0.216 402 A C 2.451 179.981 177.584 -0.089 0.000 1.186 402 A CA 2.014 54.026 52.037 -0.041 0.000 0.620 402 A CB -1.355 17.652 19.000 0.012 0.000 0.822 402 A HN 0.537 nan 8.150 nan 0.000 0.443 403 G N -0.548 108.152 108.800 -0.167 0.000 2.450 403 G HA2 -0.215 3.753 3.960 0.013 0.000 0.220 403 G HA3 -0.215 3.753 3.960 0.013 0.000 0.220 403 G C 1.566 176.310 174.900 -0.261 0.000 1.130 403 G CA 0.998 46.016 45.100 -0.137 0.000 0.760 403 G HN 0.516 nan 8.290 nan 0.000 0.557 404 K N -0.333 119.751 120.400 -0.527 0.000 2.366 404 K HA 0.037 4.365 4.320 0.013 0.000 0.198 404 K C 1.707 178.224 176.600 -0.139 0.000 1.044 404 K CA 0.360 56.432 56.287 -0.358 0.000 0.973 404 K CB -0.009 32.177 32.500 -0.524 0.000 0.767 404 K HN 0.332 nan 8.250 nan 0.000 0.475 405 c N 0.517 119.053 118.600 -0.106 0.000 2.673 405 c HA 0.222 4.800 4.570 0.013 0.000 0.274 405 c C 1.384 175.466 174.090 -0.014 0.000 1.276 405 c CA 0.149 56.452 56.329 -0.045 0.000 1.701 405 c CB -0.809 41.679 42.510 -0.037 0.000 1.836 405 c HN 0.715 nan 8.230 nan 0.000 0.596 406 G N 0.725 109.530 108.800 0.008 0.000 2.141 406 G HA2 -0.188 3.780 3.960 0.013 0.000 0.231 406 G HA3 -0.188 3.780 3.960 0.013 0.000 0.231 406 G C -0.112 174.808 174.900 0.034 0.000 0.984 406 G CA -0.312 44.806 45.100 0.030 0.000 0.660 406 G HN 0.499 nan 8.290 nan 0.000 0.525 407 L N 0.631 121.874 121.223 0.033 0.000 2.343 407 L HA 0.748 5.096 4.340 0.013 0.000 0.275 407 L C 0.911 177.820 176.870 0.065 0.000 1.056 407 L CA -1.213 53.645 54.840 0.030 0.000 0.804 407 L CB 1.664 43.726 42.059 0.006 0.000 1.203 407 L HN 0.223 nan 8.230 nan 0.000 0.440 408 V N 0.117 120.061 119.914 0.049 0.000 2.715 408 V HA 0.633 4.761 4.120 0.013 0.000 0.310 408 V C -2.560 173.554 176.094 0.034 0.000 1.054 408 V CA -2.338 59.997 62.300 0.058 0.000 0.928 408 V CB 1.552 33.401 31.823 0.043 0.000 1.007 408 V HN 0.564 nan 8.190 nan 0.000 0.437 409 P HA 0.303 nan 4.420 nan 0.000 0.287 409 P C 0.435 177.712 177.300 -0.039 0.000 1.281 409 P CA -0.055 63.022 63.100 -0.038 0.000 0.781 409 P CB 2.101 33.714 31.700 -0.146 0.000 0.903 410 V N 4.434 124.340 119.914 -0.014 0.000 2.326 410 V HA 0.045 4.173 4.120 0.013 0.000 0.237 410 V C 1.236 177.327 176.094 -0.005 0.000 1.044 410 V CA 1.260 63.563 62.300 0.005 0.000 1.035 410 V CB -0.452 31.390 31.823 0.031 0.000 0.675 410 V HN 0.426 nan 8.190 nan 0.000 0.470 411 L N -0.971 120.261 121.223 0.014 0.000 2.371 411 L HA 0.789 5.137 4.340 0.013 0.000 0.262 411 L C -0.728 176.172 176.870 0.049 0.000 1.006 411 L CA -0.571 54.288 54.840 0.031 0.000 0.818 411 L CB 2.018 44.096 42.059 0.031 0.000 1.354 411 L HN 0.216 nan 8.230 nan 0.000 0.415 412 A N 0.996 123.853 122.820 0.062 0.000 2.337 412 A HA 0.524 4.852 4.320 0.013 0.000 0.329 412 A C -0.632 177.032 177.584 0.133 0.000 1.146 412 A CA -0.532 51.566 52.037 0.102 0.000 0.800 412 A CB 1.023 20.096 19.000 0.121 0.000 1.220 412 A HN 0.726 nan 8.150 nan 0.000 0.472 413 E N 1.180 121.476 120.200 0.160 0.000 2.366 413 E HA 0.037 4.395 4.350 0.013 0.000 0.266 413 E C -0.835 175.791 176.600 0.043 0.000 1.015 413 E CA 0.062 56.500 56.400 0.064 0.000 0.906 413 E CB 0.361 30.110 29.700 0.083 0.000 0.979 413 E HN 0.475 nan 8.360 nan 0.000 0.443 414 N N 3.922 122.600 118.700 -0.037 0.000 2.518 414 N HA 0.007 4.755 4.740 0.013 0.000 0.254 414 N C -0.708 174.754 175.510 -0.081 0.000 0.979 414 N CA -0.450 52.590 53.050 -0.017 0.000 0.930 414 N CB 0.902 39.394 38.487 0.008 0.000 1.152 414 N HN 0.431 nan 8.380 nan 0.000 0.505 415 Q N 1.443 121.202 119.800 -0.067 0.000 2.524 415 Q HA 0.066 4.413 4.340 0.013 0.000 0.246 415 Q C -0.551 175.407 176.000 -0.070 0.000 1.063 415 Q CA 0.227 55.972 55.803 -0.097 0.000 0.945 415 Q CB 0.895 29.579 28.738 -0.089 0.000 1.292 415 Q HN 0.278 nan 8.270 nan 0.000 0.518 416 K N 2.034 122.391 120.400 -0.072 0.000 2.086 416 K HA 0.073 4.401 4.320 0.013 0.000 0.215 416 K C -0.191 176.386 176.600 -0.039 0.000 1.207 416 K CA -0.086 56.173 56.287 -0.047 0.000 1.206 416 K CB -0.240 32.233 32.500 -0.045 0.000 1.253 416 K HN 0.446 nan 8.250 nan 0.000 0.234 417 S N 1.589 117.271 115.700 -0.030 0.000 2.612 417 S HA -0.005 4.472 4.470 0.013 0.000 0.253 417 S C 0.141 174.730 174.600 -0.018 0.000 1.346 417 S CA -0.290 57.897 58.200 -0.021 0.000 0.976 417 S CB 0.404 63.599 63.200 -0.009 0.000 0.949 417 S HN 0.376 nan 8.310 nan 0.000 0.584 418 Q N 0.931 120.722 119.800 -0.015 0.000 2.347 418 Q HA 0.550 4.897 4.340 0.013 0.000 0.265 418 Q C -0.041 175.955 176.000 -0.007 0.000 1.024 418 Q CA -0.421 55.374 55.803 -0.013 0.000 0.731 418 Q CB 1.188 29.916 28.738 -0.017 0.000 1.245 418 Q HN 0.513 nan 8.270 nan 0.000 0.472 419 N N 0.186 118.883 118.700 -0.004 0.000 2.844 419 N HA 0.102 4.850 4.740 0.013 0.000 0.347 419 N C -0.849 174.661 175.510 -0.000 0.000 0.787 419 N CA 0.358 53.407 53.050 -0.001 0.000 1.609 419 N CB 0.687 39.177 38.487 0.004 0.000 0.995 419 N HN 0.407 nan 8.380 nan 0.000 1.595 420 S N 0.988 116.689 115.700 0.002 0.000 2.387 420 S HA 0.344 4.822 4.470 0.013 0.000 0.211 420 S C -1.231 173.370 174.600 0.002 0.000 1.055 420 S CA -0.789 57.412 58.200 0.001 0.000 1.133 420 S CB 0.079 63.281 63.200 0.004 0.000 1.235 420 S HN 0.121 nan 8.310 nan 0.000 0.425 421 N N 2.436 121.135 118.700 -0.003 0.000 3.117 421 N HA 0.245 4.993 4.740 0.013 0.000 0.323 421 N C 0.632 176.140 175.510 -0.004 0.000 1.245 421 N CA 0.305 53.353 53.050 -0.004 0.000 1.191 421 N CB 0.334 38.817 38.487 -0.008 0.000 1.451 421 N HN 0.826 nan 8.380 nan 0.000 0.555 422 A N 1.667 124.486 122.820 -0.001 0.000 3.444 422 A HA 0.486 4.814 4.320 0.013 0.000 0.189 422 A C -1.330 176.252 177.584 -0.003 0.000 1.542 422 A CA -0.627 51.409 52.037 -0.002 0.000 0.867 422 A CB -0.165 18.837 19.000 0.003 0.000 1.712 422 A HN 0.100 nan 8.150 nan 0.000 0.556 423 P HA -0.024 nan 4.420 nan 0.000 0.251 423 P C -0.466 176.833 177.300 -0.002 0.000 1.251 423 P CA 0.801 63.893 63.100 -0.013 0.000 0.763 423 P CB -0.235 31.467 31.700 0.003 0.000 1.067 424 D N -0.395 120.019 120.400 0.023 0.000 2.123 424 D HA -0.165 4.483 4.640 0.013 0.000 0.196 424 D C 2.061 178.367 176.300 0.010 0.000 0.992 424 D CA 0.855 54.883 54.000 0.047 0.000 0.833 424 D CB -1.182 39.640 40.800 0.036 0.000 0.954 424 D HN 0.136 nan 8.370 nan 0.000 0.455 425 c N 0.273 118.863 118.600 -0.017 0.000 2.284 425 c HA -0.252 4.326 4.570 0.013 0.000 0.269 425 c C 2.720 176.785 174.090 -0.042 0.000 1.133 425 c CA 1.403 57.720 56.329 -0.020 0.000 1.794 425 c CB -1.003 41.499 42.510 -0.012 0.000 1.976 425 c HN 0.226 nan 8.230 nan 0.000 0.424 426 V N -0.424 119.404 119.914 -0.143 0.000 2.828 426 V HA -0.175 3.953 4.120 0.013 0.000 0.260 426 V C 1.569 177.538 176.094 -0.209 0.000 1.101 426 V CA 2.490 64.674 62.300 -0.193 0.000 1.123 426 V CB -1.153 30.441 31.823 -0.382 0.000 0.704 426 V HN 0.761 nan 8.190 nan 0.000 0.493 427 H N -1.967 117.126 119.070 0.039 0.000 3.058 427 H HA 0.291 4.855 4.556 0.013 0.000 0.266 427 H C 1.223 176.576 175.328 0.042 0.000 1.135 427 H CA -0.517 55.554 56.048 0.039 0.000 1.174 427 H CB 0.459 30.229 29.762 0.014 0.000 1.581 427 H HN 0.221 nan 8.280 nan 0.000 0.553 428 R N 2.839 123.410 120.500 0.119 0.000 2.442 428 R HA 0.107 4.454 4.340 0.013 0.000 0.291 428 R C -2.726 173.628 176.300 0.090 0.000 1.069 428 R CA -1.648 54.504 56.100 0.088 0.000 1.022 428 R CB 0.322 30.654 30.300 0.053 0.000 0.976 428 R HN -0.039 nan 8.270 nan 0.000 0.443 429 P HA 0.077 nan 4.420 nan 0.000 0.267 429 P C -2.427 174.919 177.300 0.076 0.000 1.209 429 P CA -0.827 62.322 63.100 0.082 0.000 0.763 429 P CB 0.450 32.187 31.700 0.060 0.000 0.816 430 P HA -0.018 nan 4.420 nan 0.000 0.266 430 P C 0.506 177.840 177.300 0.058 0.000 1.195 430 P CA 0.301 63.462 63.100 0.101 0.000 0.768 430 P CB 0.463 32.268 31.700 0.176 0.000 0.838 431 E N 1.906 122.127 120.200 0.034 0.000 2.539 431 E HA 0.294 4.652 4.350 0.013 0.000 0.215 431 E C 0.760 177.336 176.600 -0.040 0.000 0.965 431 E CA -0.118 56.280 56.400 -0.004 0.000 1.019 431 E CB -0.071 29.626 29.700 -0.005 0.000 1.059 431 E HN 0.516 nan 8.360 nan 0.000 0.496 432 G N 1.572 110.356 108.800 -0.026 0.000 2.828 432 G HA2 -0.244 3.724 3.960 0.013 0.000 0.463 432 G HA3 -0.244 3.724 3.960 0.013 0.000 0.463 432 G C -0.710 174.168 174.900 -0.038 0.000 1.394 432 G CA -0.252 44.787 45.100 -0.103 0.000 0.862 432 G HN 0.399 nan 8.290 nan 0.000 0.540 433 Y N -2.418 117.838 120.300 -0.072 0.000 2.545 433 Y HA 0.796 5.353 4.550 0.013 0.000 0.348 433 Y C 0.012 175.840 175.900 -0.120 0.000 1.002 433 Y CA -1.974 56.069 58.100 -0.096 0.000 1.039 433 Y CB 1.244 39.655 38.460 -0.082 0.000 1.271 433 Y HN 0.588 nan 8.280 nan 0.000 0.467 434 L N 3.241 124.501 121.223 0.062 0.000 2.265 434 L HA 0.756 5.104 4.340 0.013 0.000 0.288 434 L C 0.308 177.252 176.870 0.123 0.000 1.058 434 L CA -1.075 53.724 54.840 -0.069 0.000 0.809 434 L CB 1.095 43.004 42.059 -0.251 0.000 1.179 434 L HN 0.892 nan 8.230 nan 0.000 0.429 435 A N 4.020 126.921 122.820 0.135 0.000 2.401 435 A HA 0.670 4.998 4.320 0.013 0.000 0.259 435 A C -0.008 177.676 177.584 0.167 0.000 1.103 435 A CA -0.361 51.802 52.037 0.210 0.000 0.789 435 A CB 0.760 19.873 19.000 0.189 0.000 1.035 435 A HN 0.656 nan 8.150 nan 0.000 0.491 436 V N -1.558 118.459 119.914 0.170 0.000 3.160 436 V HA 0.939 5.067 4.120 0.013 0.000 0.310 436 V C -0.068 176.111 176.094 0.141 0.000 1.181 436 V CA -0.555 61.828 62.300 0.137 0.000 1.047 436 V CB 1.471 33.350 31.823 0.093 0.000 1.068 436 V HN 1.701 nan 8.190 nan 0.000 0.441 437 A N 1.421 124.295 122.820 0.090 0.000 2.258 437 A HA 0.834 5.162 4.320 0.013 0.000 0.316 437 A C -0.599 176.974 177.584 -0.019 0.000 1.279 437 A CA -0.573 51.456 52.037 -0.013 0.000 0.876 437 A CB 0.855 19.952 19.000 0.162 0.000 1.170 437 A HN 1.312 nan 8.150 nan 0.000 0.520 438 V N 3.589 123.456 119.914 -0.078 0.000 2.555 438 V HA 0.689 4.817 4.120 0.013 0.000 0.302 438 V C 0.016 176.147 176.094 0.061 0.000 1.038 438 V CA -0.390 61.942 62.300 0.054 0.000 0.887 438 V CB 1.359 33.258 31.823 0.126 0.000 0.991 438 V HN 1.114 nan 8.190 nan 0.000 0.434 439 V N 2.261 122.261 119.914 0.145 0.000 3.114 439 V HA 0.709 4.837 4.120 0.013 0.000 0.308 439 V C -0.549 175.630 176.094 0.142 0.000 1.168 439 V CA -1.445 60.925 62.300 0.116 0.000 1.015 439 V CB 2.135 33.994 31.823 0.061 0.000 1.050 439 V HN 0.809 nan 8.190 nan 0.000 0.433 440 R N 1.174 121.679 120.500 0.008 0.000 2.594 440 R HA 0.334 4.682 4.340 0.013 0.000 0.272 440 R C 1.100 177.321 176.300 -0.131 0.000 1.074 440 R CA -0.194 55.768 56.100 -0.231 0.000 1.105 440 R CB 0.523 30.646 30.300 -0.294 0.000 1.008 440 R HN 0.898 nan 8.270 nan 0.000 0.472 441 K N 2.073 122.373 120.400 -0.168 0.000 2.044 441 K HA -0.239 4.089 4.320 0.013 0.000 0.210 441 K C 1.857 178.417 176.600 -0.067 0.000 1.049 441 K CA 2.313 58.551 56.287 -0.081 0.000 0.927 441 K CB -0.639 31.811 32.500 -0.083 0.000 0.713 441 K HN 0.545 nan 8.250 nan 0.000 0.443 442 S N 0.689 116.331 115.700 -0.097 0.000 2.434 442 S HA -0.222 4.256 4.470 0.013 0.000 0.240 442 S C 0.012 174.588 174.600 -0.039 0.000 1.052 442 S CA 1.851 60.011 58.200 -0.067 0.000 1.198 442 S CB -1.085 62.066 63.200 -0.082 0.000 1.124 442 S HN 0.549 nan 8.310 nan 0.000 0.426 443 D N 1.540 121.917 120.400 -0.037 0.000 2.479 443 D HA 0.392 5.039 4.640 0.013 0.000 0.253 443 D C 0.632 176.932 176.300 -0.000 0.000 1.278 443 D CA 0.722 54.714 54.000 -0.013 0.000 1.145 443 D CB 0.213 41.009 40.800 -0.006 0.000 1.118 443 D HN 0.455 nan 8.370 nan 0.000 0.513 444 A N 1.652 124.473 122.820 0.001 0.000 2.178 444 A HA -0.045 4.283 4.320 0.013 0.000 0.211 444 A C 1.567 179.164 177.584 0.021 0.000 1.157 444 A CA 0.248 52.292 52.037 0.011 0.000 0.780 444 A CB 0.196 19.198 19.000 0.005 0.000 0.828 444 A HN 0.199 nan 8.150 nan 0.000 0.476 445 D N -0.510 119.901 120.400 0.018 0.000 2.178 445 D HA -0.028 4.620 4.640 0.013 0.000 0.202 445 D C 0.623 176.944 176.300 0.035 0.000 0.974 445 D CA 0.396 54.410 54.000 0.022 0.000 0.841 445 D CB -0.176 40.633 40.800 0.015 0.000 0.953 445 D HN 0.343 nan 8.370 nan 0.000 0.478 446 L N 0.561 121.809 121.223 0.041 0.000 2.462 446 L HA 0.266 4.614 4.340 0.013 0.000 0.272 446 L C 0.219 177.142 176.870 0.089 0.000 1.166 446 L CA 0.745 55.623 54.840 0.062 0.000 0.880 446 L CB 0.518 42.614 42.059 0.062 0.000 1.142 446 L HN -0.148 nan 8.230 nan 0.000 0.473 447 T N 4.192 118.814 114.554 0.113 0.000 2.865 447 T HA 0.154 4.512 4.350 0.013 0.000 0.294 447 T C 0.532 175.376 174.700 0.241 0.000 1.119 447 T CA -0.462 61.736 62.100 0.163 0.000 1.007 447 T CB 0.418 69.367 68.868 0.134 0.000 1.225 447 T HN 0.708 nan 8.240 nan 0.000 0.515 448 W N 2.305 123.662 121.300 0.096 0.000 2.342 448 W HA -0.150 4.518 4.660 0.013 0.000 0.297 448 W C 0.708 177.315 176.519 0.148 0.000 1.213 448 W CA 1.735 59.161 57.345 0.134 0.000 1.251 448 W CB -0.093 29.433 29.460 0.110 0.000 1.136 448 W HN 0.749 nan 8.180 nan 0.000 0.526 449 N N 0.085 118.887 118.700 0.169 0.000 2.449 449 N HA -0.092 4.656 4.740 0.013 0.000 0.191 449 N C 0.790 176.300 175.510 0.000 0.000 1.161 449 N CA 1.131 54.205 53.050 0.040 0.000 0.863 449 N CB 0.019 38.575 38.487 0.116 0.000 0.980 449 N HN 0.033 nan 8.380 nan 0.000 0.458 450 S N -1.292 114.411 115.700 0.005 0.000 2.846 450 S HA 0.272 4.750 4.470 0.013 0.000 0.249 450 S C 1.029 175.610 174.600 -0.032 0.000 1.028 450 S CA -0.475 57.715 58.200 -0.016 0.000 1.043 450 S CB -0.360 62.849 63.200 0.014 0.000 0.990 450 S HN 0.103 nan 8.310 nan 0.000 0.564 451 L N 1.349 122.551 121.223 -0.035 0.000 2.201 451 L HA 0.079 4.427 4.340 0.013 0.000 0.212 451 L C 1.654 178.426 176.870 -0.163 0.000 1.105 451 L CA 0.482 55.345 54.840 0.038 0.000 0.775 451 L CB -0.542 41.605 42.059 0.147 0.000 0.913 451 L HN 0.425 nan 8.230 nan 0.000 0.440 452 S N 0.230 115.649 115.700 -0.468 0.000 2.715 452 S HA 0.041 4.519 4.470 0.013 0.000 0.318 452 S C 1.353 175.649 174.600 -0.505 0.000 1.242 452 S CA 0.606 58.224 58.200 -0.970 0.000 1.044 452 S CB 0.120 62.870 63.200 -0.750 0.000 0.760 452 S HN 0.671 nan 8.310 nan 0.000 0.501 453 G N 3.803 112.304 108.800 -0.498 0.000 2.212 453 G HA2 -0.236 3.731 3.960 0.013 0.000 0.267 453 G HA3 -0.236 3.731 3.960 0.013 0.000 0.267 453 G C 0.146 175.023 174.900 -0.039 0.000 1.002 453 G CA 0.692 45.672 45.100 -0.199 0.000 0.729 453 G HN 0.646 nan 8.290 nan 0.000 0.517 454 K N 0.002 120.430 120.400 0.046 0.000 2.132 454 K HA 0.486 4.814 4.320 0.013 0.000 0.241 454 K C 0.723 177.503 176.600 0.300 0.000 1.000 454 K CA -0.622 55.761 56.287 0.160 0.000 0.911 454 K CB 0.853 33.459 32.500 0.177 0.000 1.093 454 K HN 0.272 nan 8.250 nan 0.000 0.460 455 K N 0.893 121.416 120.400 0.205 0.000 2.218 455 K HA 0.213 4.541 4.320 0.013 0.000 0.276 455 K C -0.058 176.610 176.600 0.113 0.000 1.022 455 K CA -0.265 56.133 56.287 0.185 0.000 0.946 455 K CB 0.924 33.490 32.500 0.110 0.000 1.000 455 K HN 0.667 nan 8.250 nan 0.000 0.468 456 S N 0.484 116.197 115.700 0.021 0.000 2.542 456 S HA 0.479 4.957 4.470 0.013 0.000 0.293 456 S C -0.613 173.855 174.600 -0.220 0.000 1.089 456 S CA -0.999 57.038 58.200 -0.270 0.000 0.961 456 S CB 1.059 63.728 63.200 -0.885 0.000 1.062 456 S HN 0.573 nan 8.310 nan 0.000 0.483 457 c N 3.808 122.204 118.600 -0.339 0.000 2.298 457 c HA 0.648 5.225 4.570 0.013 0.000 0.323 457 c C -0.282 173.633 174.090 -0.291 0.000 1.284 457 c CA -0.538 55.664 56.329 -0.211 0.000 1.577 457 c CB -0.766 41.630 42.510 -0.189 0.000 2.249 457 c HN 0.870 nan 8.230 nan 0.000 0.497 458 H N 1.472 120.607 119.070 0.107 0.000 2.600 458 H HA 0.213 4.777 4.556 0.013 0.000 0.357 458 H C 1.071 176.429 175.328 0.049 0.000 1.106 458 H CA 0.013 56.146 56.048 0.141 0.000 1.193 458 H CB 1.945 31.836 29.762 0.214 0.000 1.594 458 H HN 0.732 nan 8.280 nan 0.000 0.526 459 T N 0.589 115.198 114.554 0.091 0.000 2.778 459 T HA 0.030 4.388 4.350 0.013 0.000 0.269 459 T C 0.966 175.597 174.700 -0.116 0.000 1.050 459 T CA 0.992 63.006 62.100 -0.144 0.000 1.137 459 T CB 0.077 68.727 68.868 -0.363 0.000 0.860 459 T HN 0.853 nan 8.240 nan 0.000 0.468 460 G N -0.205 108.628 108.800 0.054 0.000 2.347 460 G HA2 0.399 4.367 3.960 0.013 0.000 0.303 460 G HA3 0.399 4.367 3.960 0.013 0.000 0.303 460 G C -0.990 173.890 174.900 -0.033 0.000 1.481 460 G CA -0.562 44.574 45.100 0.061 0.000 0.914 460 G HN 0.909 nan 8.290 nan 0.000 0.638 461 V N -0.403 119.355 119.914 -0.261 0.000 2.732 461 V HA 0.807 4.935 4.120 0.013 0.000 0.297 461 V C 1.524 177.353 176.094 -0.441 0.000 1.060 461 V CA 0.755 62.575 62.300 -0.801 0.000 1.038 461 V CB 0.675 31.781 31.823 -1.194 0.000 1.003 461 V HN 2.925 nan 8.190 nan 0.000 0.481 462 G N 3.320 111.811 108.800 -0.515 0.000 2.268 462 G HA2 -0.221 3.747 3.960 0.013 0.000 0.240 462 G HA3 -0.221 3.747 3.960 0.013 0.000 0.240 462 G C 0.428 175.070 174.900 -0.430 0.000 1.010 462 G CA 0.232 45.062 45.100 -0.451 0.000 0.618 462 G HN 0.843 nan 8.290 nan 0.000 0.516 463 R N 0.829 121.235 120.500 -0.156 0.000 2.531 463 R HA 0.559 4.907 4.340 0.013 0.000 0.273 463 R C 1.607 177.954 176.300 0.078 0.000 1.070 463 R CA 0.174 56.252 56.100 -0.037 0.000 1.112 463 R CB 0.598 30.916 30.300 0.029 0.000 1.049 463 R HN 0.203 nan 8.270 nan 0.000 0.508 464 T N 1.563 116.180 114.554 0.104 0.000 2.542 464 T HA -0.234 4.124 4.350 0.013 0.000 0.257 464 T C 1.979 176.756 174.700 0.128 0.000 1.111 464 T CA 1.607 63.782 62.100 0.124 0.000 1.203 464 T CB -0.399 68.511 68.868 0.070 0.000 0.866 464 T HN 0.741 nan 8.240 nan 0.000 0.399 465 A N 2.011 124.966 122.820 0.226 0.000 1.903 465 A HA 0.065 4.393 4.320 0.013 0.000 0.219 465 A C 2.003 179.718 177.584 0.218 0.000 1.191 465 A CA 2.082 54.282 52.037 0.272 0.000 0.638 465 A CB -1.286 17.947 19.000 0.388 0.000 0.823 465 A HN 0.650 nan 8.150 nan 0.000 0.451 466 A N -2.913 120.015 122.820 0.180 0.000 3.293 466 A HA 0.364 4.692 4.320 0.013 0.000 0.163 466 A C 1.334 179.027 177.584 0.181 0.000 2.052 466 A CA 0.161 52.343 52.037 0.241 0.000 1.062 466 A CB -1.290 17.861 19.000 0.252 0.000 1.908 466 A HN 0.758 nan 8.150 nan 0.000 0.790 467 W N 0.085 121.347 121.300 -0.063 0.000 2.437 467 W HA -0.416 4.252 4.660 0.013 0.000 0.352 467 W C 1.891 178.290 176.519 -0.200 0.000 1.574 467 W CA 2.907 60.128 57.345 -0.207 0.000 1.476 467 W CB -1.007 28.327 29.460 -0.210 0.000 0.957 467 W HN 0.723 nan 8.180 nan 0.000 0.491 468 N N 0.027 118.771 118.700 0.073 0.000 2.060 468 N HA -0.226 4.521 4.740 0.013 0.000 0.195 468 N C 1.334 176.821 175.510 -0.038 0.000 1.028 468 N CA 2.590 55.642 53.050 0.003 0.000 0.861 468 N CB -1.050 37.544 38.487 0.179 0.000 1.029 468 N HN 0.191 nan 8.380 nan 0.000 0.428 469 I N 1.044 121.609 120.570 -0.008 0.000 2.286 469 I HA -0.090 4.088 4.170 0.013 0.000 0.245 469 I C -0.674 175.409 176.117 -0.058 0.000 1.104 469 I CA 1.050 62.341 61.300 -0.016 0.000 1.397 469 I CB -2.401 35.597 38.000 -0.002 0.000 1.072 469 I HN 0.123 nan 8.210 nan 0.000 0.417 470 P HA -0.071 nan 4.420 nan 0.000 0.215 470 P C 1.867 178.993 177.300 -0.290 0.000 1.160 470 P CA 1.154 64.146 63.100 -0.180 0.000 0.869 470 P CB -0.047 31.254 31.700 -0.664 0.000 0.782 471 M N -0.029 119.214 119.600 -0.596 0.000 2.195 471 M HA -0.049 4.439 4.480 0.013 0.000 0.260 471 M C 2.371 178.424 176.300 -0.413 0.000 1.066 471 M CA 1.707 56.519 55.300 -0.814 0.000 1.089 471 M CB -2.507 29.070 32.600 -1.706 0.000 1.377 471 M HN 0.016 nan 8.290 nan 0.000 0.411 472 G N -0.219 108.436 108.800 -0.243 0.000 2.408 472 G HA2 -0.088 3.880 3.960 0.013 0.000 0.217 472 G HA3 -0.088 3.880 3.960 0.013 0.000 0.217 472 G C 1.728 176.645 174.900 0.029 0.000 1.150 472 G CA 0.320 45.408 45.100 -0.021 0.000 0.776 472 G HN 0.427 nan 8.290 nan 0.000 0.542 473 L N -0.207 121.024 121.223 0.013 0.000 2.072 473 L HA 0.069 4.416 4.340 0.013 0.000 0.205 473 L C 2.868 179.779 176.870 0.069 0.000 1.079 473 L CA 0.477 55.365 54.840 0.080 0.000 0.752 473 L CB -0.409 41.762 42.059 0.188 0.000 0.906 473 L HN 0.164 nan 8.230 nan 0.000 0.436 474 L N -1.153 120.055 121.223 -0.025 0.000 2.056 474 L HA -0.221 4.126 4.340 0.013 0.000 0.207 474 L C 2.549 179.369 176.870 -0.084 0.000 1.078 474 L CA 0.929 55.628 54.840 -0.236 0.000 0.749 474 L CB -0.611 41.062 42.059 -0.643 0.000 0.901 474 L HN 0.179 nan 8.230 nan 0.000 0.433 475 F N 1.531 121.422 119.950 -0.098 0.000 2.307 475 F HA -0.234 4.301 4.527 0.013 0.000 0.301 475 F C 2.103 177.898 175.800 -0.008 0.000 1.076 475 F CA 1.549 59.565 58.000 0.027 0.000 1.383 475 F CB -0.577 38.528 39.000 0.174 0.000 1.055 475 F HN 0.158 nan 8.300 nan 0.000 0.526 476 N N -0.195 118.408 118.700 -0.162 0.000 2.333 476 N HA -0.108 4.640 4.740 0.013 0.000 0.178 476 N C 1.601 177.034 175.510 -0.129 0.000 1.018 476 N CA 1.127 54.032 53.050 -0.243 0.000 0.882 476 N CB -0.061 38.344 38.487 -0.137 0.000 0.984 476 N HN 0.364 nan 8.380 nan 0.000 0.434 477 Q N -1.379 118.386 119.800 -0.059 0.000 2.302 477 Q HA 0.092 4.440 4.340 0.013 0.000 0.202 477 Q C 1.576 177.573 176.000 -0.005 0.000 0.936 477 Q CA 1.409 57.199 55.803 -0.021 0.000 0.886 477 Q CB 0.332 29.077 28.738 0.012 0.000 0.986 477 Q HN 0.546 nan 8.270 nan 0.000 0.487 478 T N -4.574 109.981 114.554 0.002 0.000 3.037 478 T HA 0.232 4.589 4.350 0.013 0.000 0.251 478 T C 1.536 176.280 174.700 0.074 0.000 1.079 478 T CA 0.395 62.534 62.100 0.064 0.000 1.067 478 T CB 0.322 69.260 68.868 0.118 0.000 0.948 478 T HN 0.316 nan 8.240 nan 0.000 0.496 479 G N 1.048 109.887 108.800 0.064 0.000 2.187 479 G HA2 -0.245 3.723 3.960 0.013 0.000 0.261 479 G HA3 -0.245 3.723 3.960 0.013 0.000 0.261 479 G C 0.111 175.146 174.900 0.225 0.000 1.000 479 G CA 0.581 45.730 45.100 0.082 0.000 0.718 479 G HN 1.108 nan 8.290 nan 0.000 0.519 480 S N -2.117 113.731 115.700 0.246 0.000 2.536 480 S HA 0.538 5.015 4.470 0.013 0.000 0.298 480 S C 1.118 175.559 174.600 -0.265 0.000 1.083 480 S CA 0.051 58.278 58.200 0.044 0.000 0.995 480 S CB 1.535 64.736 63.200 0.003 0.000 1.058 480 S HN 0.581 nan 8.310 nan 0.000 0.488 481 c N 2.763 121.083 118.600 -0.468 0.000 2.697 481 c HA 0.307 4.885 4.570 0.013 0.000 0.267 481 c C 0.883 174.463 174.090 -0.849 0.000 1.278 481 c CA -0.260 55.495 56.329 -0.957 0.000 1.708 481 c CB -1.398 40.741 42.510 -0.618 0.000 1.860 481 c HN 0.716 nan 8.230 nan 0.000 0.589 482 K N 1.469 121.614 120.400 -0.426 0.000 2.083 482 K HA 0.096 4.424 4.320 0.013 0.000 0.246 482 K C 0.146 176.683 176.600 -0.106 0.000 1.160 482 K CA -0.106 56.060 56.287 -0.202 0.000 1.060 482 K CB -0.105 32.349 32.500 -0.077 0.000 1.417 482 K HN 0.278 nan 8.250 nan 0.000 0.329 483 F N 1.551 121.514 119.950 0.021 0.000 2.259 483 F HA -0.129 4.406 4.527 0.013 0.000 0.298 483 F C 1.991 177.879 175.800 0.145 0.000 1.088 483 F CA 0.921 58.944 58.000 0.038 0.000 1.358 483 F CB -0.205 38.816 39.000 0.035 0.000 1.040 483 F HN 0.496 nan 8.300 nan 0.000 0.505 484 D N -0.191 120.405 120.400 0.327 0.000 2.363 484 D HA -0.121 4.527 4.640 0.013 0.000 0.220 484 D C 1.298 177.725 176.300 0.211 0.000 0.994 484 D CA 0.712 54.876 54.000 0.274 0.000 0.890 484 D CB -0.396 40.525 40.800 0.201 0.000 0.906 484 D HN 0.264 nan 8.370 nan 0.000 0.530 485 K N -1.247 119.258 120.400 0.174 0.000 2.355 485 K HA 0.148 4.476 4.320 0.013 0.000 0.198 485 K C 1.191 177.832 176.600 0.068 0.000 1.039 485 K CA -0.331 56.017 56.287 0.102 0.000 1.075 485 K CB 0.201 32.733 32.500 0.053 0.000 0.870 485 K HN -0.014 nan 8.250 nan 0.000 0.540 486 F N 0.708 120.633 119.950 -0.042 0.000 2.128 486 F HA 0.074 4.609 4.527 0.013 0.000 0.295 486 F C 0.237 175.811 175.800 -0.377 0.000 1.100 486 F CA 0.864 58.713 58.000 -0.252 0.000 1.260 486 F CB 0.346 39.119 39.000 -0.378 0.000 1.009 486 F HN -0.229 nan 8.300 nan 0.000 0.476 487 F N 0.601 120.698 119.950 0.244 0.000 2.394 487 F HA 0.194 4.729 4.527 0.013 0.000 0.340 487 F C 1.676 177.536 175.800 0.101 0.000 1.105 487 F CA -0.240 57.862 58.000 0.170 0.000 1.124 487 F CB 1.001 40.172 39.000 0.286 0.000 1.145 487 F HN -0.086 nan 8.300 nan 0.000 0.505 488 S N 1.599 117.412 115.700 0.189 0.000 2.365 488 S HA -0.146 4.332 4.470 0.013 0.000 0.225 488 S C 0.350 175.041 174.600 0.152 0.000 1.039 488 S CA 0.984 59.255 58.200 0.118 0.000 1.033 488 S CB -0.279 62.971 63.200 0.083 0.000 0.887 488 S HN 0.756 nan 8.310 nan 0.000 0.447 489 Q N -0.965 118.954 119.800 0.199 0.000 2.482 489 Q HA 0.735 5.083 4.340 0.013 0.000 0.286 489 Q C -1.630 174.506 176.000 0.226 0.000 1.007 489 Q CA -0.596 55.316 55.803 0.181 0.000 0.801 489 Q CB 2.588 31.402 28.738 0.127 0.000 1.455 489 Q HN 0.332 nan 8.270 nan 0.000 0.398 490 S N -0.187 115.642 115.700 0.214 0.000 2.615 490 S HA 0.553 5.031 4.470 0.013 0.000 0.269 490 S C -1.816 172.914 174.600 0.216 0.000 1.161 490 S CA -0.628 57.713 58.200 0.235 0.000 0.817 490 S CB 1.674 65.084 63.200 0.350 0.000 1.131 490 S HN 0.701 nan 8.310 nan 0.000 0.467 491 c N 1.927 120.672 118.600 0.241 0.000 2.346 491 c HA 0.878 5.456 4.570 0.013 0.000 0.326 491 c C -0.624 173.634 174.090 0.281 0.000 1.224 491 c CA -0.041 56.425 56.329 0.229 0.000 1.408 491 c CB -0.601 42.071 42.510 0.269 0.000 2.089 491 c HN 1.015 nan 8.230 nan 0.000 0.456 492 A N 7.661 130.616 122.820 0.226 0.000 2.768 492 A HA 0.646 4.974 4.320 0.013 0.000 0.299 492 A C -3.007 174.631 177.584 0.091 0.000 1.171 492 A CA -0.843 51.310 52.037 0.194 0.000 0.759 492 A CB 0.513 19.598 19.000 0.142 0.000 1.267 492 A HN 0.658 nan 8.150 nan 0.000 0.421 493 P HA 0.321 nan 4.420 nan 0.000 0.265 493 P C 1.228 178.557 177.300 0.049 0.000 1.187 493 P CA 2.192 65.366 63.100 0.123 0.000 0.766 493 P CB 0.843 32.703 31.700 0.267 0.000 0.820 494 G N 0.817 109.616 108.800 -0.002 0.000 2.195 494 G HA2 -0.114 3.854 3.960 0.013 0.000 0.224 494 G HA3 -0.114 3.854 3.960 0.013 0.000 0.224 494 G C 0.503 175.351 174.900 -0.086 0.000 0.990 494 G CA 0.038 45.112 45.100 -0.043 0.000 0.639 494 G HN 0.816 nan 8.290 nan 0.000 0.514 495 A N 0.024 122.790 122.820 -0.090 0.000 2.260 495 A HA 0.575 4.903 4.320 0.013 0.000 0.278 495 A C 0.396 177.957 177.584 -0.038 0.000 1.269 495 A CA 0.711 52.694 52.037 -0.091 0.000 0.824 495 A CB 0.010 18.971 19.000 -0.065 0.000 1.238 495 A HN 0.723 nan 8.150 nan 0.000 0.507 496 D N -0.306 120.085 120.400 -0.015 0.000 2.371 496 D HA 0.232 4.880 4.640 0.013 0.000 0.256 496 D C -1.266 175.038 176.300 0.007 0.000 1.193 496 D CA -1.340 52.658 54.000 -0.002 0.000 0.881 496 D CB 0.757 41.563 40.800 0.011 0.000 1.143 496 D HN 0.134 nan 8.370 nan 0.000 0.473 497 P HA -0.230 nan 4.420 nan 0.000 0.218 497 P C 0.478 177.786 177.300 0.012 0.000 1.146 497 P CA 1.371 64.473 63.100 0.004 0.000 0.820 497 P CB 0.189 31.886 31.700 -0.005 0.000 0.778 498 Q N -0.083 119.725 119.800 0.014 0.000 2.403 498 Q HA 0.075 4.423 4.340 0.013 0.000 0.203 498 Q C 1.178 177.196 176.000 0.031 0.000 0.932 498 Q CA 0.072 55.886 55.803 0.018 0.000 0.945 498 Q CB -0.007 28.739 28.738 0.013 0.000 1.045 498 Q HN 0.305 nan 8.270 nan 0.000 0.511 499 S N -0.695 115.030 115.700 0.040 0.000 2.713 499 S HA 0.205 4.683 4.470 0.013 0.000 0.283 499 S C 1.148 175.794 174.600 0.077 0.000 1.161 499 S CA -0.376 57.860 58.200 0.060 0.000 0.999 499 S CB 1.646 64.889 63.200 0.071 0.000 1.039 499 S HN 0.132 nan 8.310 nan 0.000 0.548 500 S N 1.201 116.959 115.700 0.097 0.000 2.399 500 S HA -0.075 4.402 4.470 0.013 0.000 0.231 500 S C 1.783 176.474 174.600 0.150 0.000 1.022 500 S CA 1.064 59.335 58.200 0.118 0.000 0.983 500 S CB -0.934 62.345 63.200 0.132 0.000 0.803 500 S HN 0.644 nan 8.310 nan 0.000 0.480 501 L N 0.323 121.645 121.223 0.165 0.000 2.187 501 L HA -0.098 4.250 4.340 0.013 0.000 0.213 501 L C 1.732 178.689 176.870 0.146 0.000 1.100 501 L CA 0.632 55.585 54.840 0.188 0.000 0.765 501 L CB -0.575 41.588 42.059 0.173 0.000 0.904 501 L HN 0.429 nan 8.230 nan 0.000 0.437 502 c N -0.985 117.676 118.600 0.102 0.000 2.855 502 c HA 0.339 4.917 4.570 0.013 0.000 0.279 502 c C 2.669 176.798 174.090 0.066 0.000 1.270 502 c CA -0.152 56.222 56.329 0.076 0.000 1.702 502 c CB -0.717 41.820 42.510 0.044 0.000 1.949 502 c HN 0.526 nan 8.230 nan 0.000 0.618 503 A N 1.284 124.153 122.820 0.081 0.000 1.865 503 A HA -0.114 4.214 4.320 0.013 0.000 0.217 503 A C 1.883 179.497 177.584 0.051 0.000 1.191 503 A CA 1.530 53.605 52.037 0.064 0.000 0.623 503 A CB -0.461 18.586 19.000 0.078 0.000 0.826 503 A HN 0.601 nan 8.150 nan 0.000 0.444 504 L N -0.381 120.890 121.223 0.080 0.000 2.554 504 L HA -0.006 4.342 4.340 0.013 0.000 0.226 504 L C 0.903 177.782 176.870 0.016 0.000 1.137 504 L CA -0.648 54.239 54.840 0.079 0.000 0.863 504 L CB -0.910 41.242 42.059 0.154 0.000 0.985 504 L HN 0.323 nan 8.230 nan 0.000 0.451 505 c N -0.299 118.310 118.600 0.016 0.000 2.820 505 c HA 0.067 4.645 4.570 0.013 0.000 0.359 505 c C 1.927 175.880 174.090 -0.228 0.000 1.357 505 c CA -0.186 56.104 56.329 -0.066 0.000 2.197 505 c CB 1.337 43.852 42.510 0.009 0.000 2.569 505 c HN 0.263 nan 8.230 nan 0.000 0.753 506 V N 0.115 119.837 119.914 -0.320 0.000 3.332 506 V HA 0.406 4.534 4.120 0.013 0.000 0.263 506 V C 0.903 176.887 176.094 -0.184 0.000 1.562 506 V CA 0.998 63.101 62.300 -0.329 0.000 1.040 506 V CB -0.601 30.849 31.823 -0.620 0.000 0.857 506 V HN 1.513 nan 8.190 nan 0.000 0.428 507 G N 2.256 110.978 108.800 -0.131 0.000 2.681 507 G HA2 -0.243 3.725 3.960 0.013 0.000 0.220 507 G HA3 -0.243 3.725 3.960 0.013 0.000 0.220 507 G C -0.191 174.674 174.900 -0.059 0.000 1.353 507 G CA 0.118 45.175 45.100 -0.072 0.000 0.872 507 G HN 0.825 nan 8.290 nan 0.000 0.557 508 N N -0.116 118.562 118.700 -0.036 0.000 2.332 508 N HA 0.276 5.024 4.740 0.013 0.000 0.285 508 N C 1.362 176.861 175.510 -0.019 0.000 1.292 508 N CA 0.386 53.425 53.050 -0.017 0.000 0.947 508 N CB 0.089 38.571 38.487 -0.009 0.000 1.084 508 N HN 0.500 nan 8.380 nan 0.000 0.529 509 N N -0.469 118.230 118.700 -0.002 0.000 2.120 509 N HA -0.129 4.619 4.740 0.013 0.000 0.188 509 N C 0.173 175.680 175.510 -0.005 0.000 1.024 509 N CA 1.042 54.093 53.050 0.002 0.000 0.852 509 N CB -0.255 38.243 38.487 0.017 0.000 1.003 509 N HN 0.644 nan 8.380 nan 0.000 0.424 510 E N 1.298 121.495 120.200 -0.006 0.000 2.335 510 E HA 0.096 4.454 4.350 0.013 0.000 0.191 510 E C -0.463 176.127 176.600 -0.016 0.000 1.077 510 E CA -0.211 56.185 56.400 -0.008 0.000 1.010 510 E CB -0.351 29.347 29.700 -0.004 0.000 1.141 510 E HN 0.247 nan 8.360 nan 0.000 0.452 511 N N 1.872 120.556 118.700 -0.026 0.000 2.714 511 N HA -0.155 4.593 4.740 0.013 0.000 0.250 511 N C -0.552 174.938 175.510 -0.034 0.000 1.117 511 N CA 0.815 53.843 53.050 -0.037 0.000 0.719 511 N CB -0.440 38.025 38.487 -0.037 0.000 1.081 511 N HN 0.338 nan 8.380 nan 0.000 0.557 512 E N 0.705 120.889 120.200 -0.028 0.000 2.227 512 E HA 0.300 4.658 4.350 0.013 0.000 0.268 512 E C 0.502 177.083 176.600 -0.031 0.000 0.990 512 E CA -0.584 55.801 56.400 -0.026 0.000 0.856 512 E CB 0.608 30.296 29.700 -0.019 0.000 1.159 512 E HN 0.223 nan 8.360 nan 0.000 0.401 513 N N 0.797 119.479 118.700 -0.031 0.000 2.771 513 N HA -0.178 4.570 4.740 0.013 0.000 0.249 513 N C -0.481 175.006 175.510 -0.038 0.000 1.069 513 N CA 0.387 53.415 53.050 -0.036 0.000 0.688 513 N CB -0.698 37.765 38.487 -0.040 0.000 0.928 513 N HN 0.298 nan 8.380 nan 0.000 0.551 514 K N 0.253 120.631 120.400 -0.036 0.000 2.350 514 K HA 0.262 4.590 4.320 0.013 0.000 0.279 514 K C 0.822 177.409 176.600 -0.022 0.000 1.027 514 K CA 0.181 56.446 56.287 -0.037 0.000 0.969 514 K CB 0.717 33.194 32.500 -0.038 0.000 0.954 514 K HN 0.500 nan 8.250 nan 0.000 0.474 515 c N 2.749 121.344 118.600 -0.008 0.000 4.784 515 c HA -0.211 4.367 4.570 0.013 0.000 0.261 515 c C 0.557 174.645 174.090 -0.004 0.000 1.492 515 c CA 0.561 56.898 56.329 0.013 0.000 1.622 515 c CB -2.247 40.270 42.510 0.011 0.000 1.855 515 c HN 0.988 nan 8.230 nan 0.000 0.662 516 M N 2.977 122.557 119.600 -0.034 0.000 2.252 516 M HA 0.223 4.711 4.480 0.013 0.000 0.348 516 M C -1.451 174.776 176.300 -0.122 0.000 1.334 516 M CA -0.375 54.879 55.300 -0.076 0.000 1.071 516 M CB 0.551 33.097 32.600 -0.091 0.000 1.763 516 M HN 0.197 nan 8.290 nan 0.000 0.452 517 P HA 0.152 nan 4.420 nan 0.000 0.230 517 P C -1.912 174.917 177.300 -0.785 0.000 1.791 517 P CA 0.048 63.002 63.100 -0.242 0.000 1.020 517 P CB -0.830 30.830 31.700 -0.066 0.000 1.977 518 N N -1.262 116.740 118.700 -1.164 0.000 3.261 518 N HA 0.038 4.786 4.740 0.013 0.000 0.248 518 N C 0.710 175.809 175.510 -0.685 0.000 1.498 518 N CA -0.564 51.781 53.050 -1.174 0.000 0.884 518 N CB -0.336 37.868 38.487 -0.472 0.000 1.428 518 N HN -0.207 nan 8.380 nan 0.000 0.517 519 S N -1.189 114.377 115.700 -0.222 0.000 2.419 519 S HA -0.169 4.309 4.470 0.013 0.000 0.235 519 S C 0.990 175.604 174.600 0.024 0.000 1.019 519 S CA 1.010 59.240 58.200 0.050 0.000 0.982 519 S CB -0.611 62.646 63.200 0.096 0.000 0.789 519 S HN 0.586 nan 8.310 nan 0.000 0.490 520 E N 1.231 121.406 120.200 -0.042 0.000 2.209 520 E HA -0.121 4.237 4.350 0.013 0.000 0.196 520 E C 0.704 177.298 176.600 -0.010 0.000 0.993 520 E CA 1.013 57.398 56.400 -0.025 0.000 0.819 520 E CB -0.140 29.530 29.700 -0.051 0.000 0.745 520 E HN 0.746 nan 8.360 nan 0.000 0.477 521 E N 0.826 121.023 120.200 -0.005 0.000 2.130 521 E HA 0.062 4.419 4.350 0.013 0.000 0.284 521 E C 0.488 177.156 176.600 0.113 0.000 1.018 521 E CA -0.090 56.333 56.400 0.038 0.000 0.817 521 E CB 0.567 30.303 29.700 0.059 0.000 1.078 521 E HN -0.116 nan 8.360 nan 0.000 0.396 522 R N 3.186 123.732 120.500 0.076 0.000 2.193 522 R HA -0.123 4.225 4.340 0.013 0.000 0.229 522 R C 0.489 176.932 176.300 0.238 0.000 1.110 522 R CA 1.030 57.202 56.100 0.119 0.000 0.988 522 R CB -0.089 30.251 30.300 0.066 0.000 0.871 522 R HN 0.578 nan 8.270 nan 0.000 0.458 523 Y N -1.183 119.111 120.300 -0.011 0.000 2.466 523 Y HA 0.058 4.615 4.550 0.013 0.000 0.272 523 Y C 0.192 176.117 175.900 0.041 0.000 1.169 523 Y CA -1.326 56.756 58.100 -0.030 0.000 1.285 523 Y CB -0.622 37.822 38.460 -0.027 0.000 1.078 523 Y HN -0.005 nan 8.280 nan 0.000 0.523 524 Y N 0.738 121.104 120.300 0.110 0.000 2.326 524 Y HA 0.452 5.010 4.550 0.013 0.000 0.333 524 Y C 0.952 176.875 175.900 0.039 0.000 1.240 524 Y CA 0.560 58.698 58.100 0.063 0.000 1.365 524 Y CB 0.367 38.856 38.460 0.048 0.000 1.289 524 Y HN 0.318 nan 8.280 nan 0.000 0.548 525 G N 3.361 111.656 108.800 -0.842 0.000 2.828 525 G HA2 -0.330 3.638 3.960 0.013 0.000 0.463 525 G HA3 -0.330 3.638 3.960 0.013 0.000 0.463 525 G C -0.234 174.479 174.900 -0.312 0.000 1.394 525 G CA 0.093 44.798 45.100 -0.658 0.000 0.862 525 G HN 0.815 nan 8.290 nan 0.000 0.540 526 Y N 0.108 120.325 120.300 -0.138 0.000 2.274 526 Y HA -0.061 4.497 4.550 0.013 0.000 0.290 526 Y C 3.367 179.236 175.900 -0.050 0.000 1.145 526 Y CA 2.200 60.249 58.100 -0.085 0.000 1.203 526 Y CB -0.642 37.752 38.460 -0.109 0.000 0.984 526 Y HN 0.608 nan 8.280 nan 0.000 0.533 527 T N -0.563 114.089 114.554 0.165 0.000 2.639 527 T HA -0.145 4.213 4.350 0.013 0.000 0.261 527 T C 2.338 177.035 174.700 -0.006 0.000 1.053 527 T CA 1.571 63.749 62.100 0.131 0.000 1.158 527 T CB -1.028 67.930 68.868 0.150 0.000 0.863 527 T HN 0.556 nan 8.240 nan 0.000 0.413 528 G N 1.018 109.783 108.800 -0.058 0.000 2.442 528 G HA2 -0.099 3.869 3.960 0.013 0.000 0.219 528 G HA3 -0.099 3.869 3.960 0.013 0.000 0.219 528 G C 1.743 176.482 174.900 -0.269 0.000 1.141 528 G CA 0.987 45.994 45.100 -0.155 0.000 0.763 528 G HN 0.592 nan 8.290 nan 0.000 0.554 529 A N -0.311 122.422 122.820 -0.144 0.000 2.066 529 A HA 0.215 4.543 4.320 0.013 0.000 0.218 529 A C 2.034 179.544 177.584 -0.124 0.000 1.157 529 A CA 1.242 53.196 52.037 -0.140 0.000 0.670 529 A CB -0.343 18.621 19.000 -0.059 0.000 0.804 529 A HN 0.389 nan 8.150 nan 0.000 0.453 530 F N 0.141 119.948 119.950 -0.239 0.000 2.262 530 F HA 0.115 4.650 4.527 0.013 0.000 0.292 530 F C 2.173 177.797 175.800 -0.294 0.000 1.081 530 F CA 1.059 58.931 58.000 -0.214 0.000 1.355 530 F CB -0.281 38.643 39.000 -0.126 0.000 1.069 530 F HN 0.189 nan 8.300 nan 0.000 0.506 531 R N -0.183 120.032 120.500 -0.475 0.000 2.080 531 R HA -0.258 4.090 4.340 0.013 0.000 0.236 531 R C 2.591 178.402 176.300 -0.815 0.000 1.137 531 R CA 1.987 57.567 56.100 -0.866 0.000 0.943 531 R CB -1.364 28.180 30.300 -1.260 0.000 0.846 531 R HN 0.523 nan 8.270 nan 0.000 0.431 532 c N 0.731 118.652 118.600 -1.131 0.000 2.392 532 c HA -0.170 4.408 4.570 0.013 0.000 0.276 532 c C 2.534 176.320 174.090 -0.508 0.000 1.212 532 c CA 1.232 56.801 56.329 -1.267 0.000 1.791 532 c CB -1.156 40.827 42.510 -0.879 0.000 2.063 532 c HN 0.666 nan 8.230 nan 0.000 0.481 533 L N 1.539 122.506 121.223 -0.425 0.000 2.102 533 L HA 0.250 4.598 4.340 0.013 0.000 0.202 533 L C 2.672 179.425 176.870 -0.196 0.000 1.076 533 L CA 2.379 57.062 54.840 -0.262 0.000 0.761 533 L CB -1.197 40.705 42.059 -0.261 0.000 0.921 533 L HN 0.309 nan 8.230 nan 0.000 0.444 534 A N -0.360 122.278 122.820 -0.305 0.000 1.851 534 A HA -0.238 4.090 4.320 0.013 0.000 0.216 534 A C 1.971 179.564 177.584 0.014 0.000 1.195 534 A CA 1.883 53.879 52.037 -0.068 0.000 0.622 534 A CB -0.888 18.115 19.000 0.005 0.000 0.831 534 A HN 0.616 nan 8.150 nan 0.000 0.444 535 E N 0.068 120.260 120.200 -0.013 0.000 2.482 535 E HA -0.031 4.326 4.350 0.013 0.000 0.200 535 E C -0.424 176.207 176.600 0.051 0.000 1.147 535 E CA 0.291 56.726 56.400 0.059 0.000 0.912 535 E CB -0.313 29.445 29.700 0.097 0.000 0.938 535 E HN 0.533 nan 8.360 nan 0.000 0.519 536 K N -1.420 118.987 120.400 0.013 0.000 3.016 536 K HA -0.272 4.056 4.320 0.013 0.000 0.262 536 K C 0.774 177.400 176.600 0.044 0.000 1.043 536 K CA 0.345 56.643 56.287 0.018 0.000 0.761 536 K CB -1.406 31.107 32.500 0.022 0.000 1.230 536 K HN 0.276 nan 8.250 nan 0.000 0.485 537 A N 0.187 123.048 122.820 0.068 0.000 2.132 537 A HA 0.291 4.619 4.320 0.013 0.000 0.213 537 A C 0.973 178.611 177.584 0.090 0.000 1.154 537 A CA 1.198 53.313 52.037 0.130 0.000 0.753 537 A CB 0.445 19.643 19.000 0.329 0.000 0.826 537 A HN 0.488 nan 8.150 nan 0.000 0.469 538 G N -1.943 106.873 108.800 0.026 0.000 2.695 538 G HA2 0.466 4.434 3.960 0.013 0.000 0.290 538 G HA3 0.466 4.434 3.960 0.013 0.000 0.290 538 G C -0.855 174.036 174.900 -0.015 0.000 1.410 538 G CA -0.165 44.941 45.100 0.009 0.000 0.844 538 G HN -0.097 nan 8.290 nan 0.000 0.478 539 D N -1.123 119.274 120.400 -0.004 0.000 2.388 539 D HA 0.137 4.785 4.640 0.013 0.000 0.208 539 D C 0.314 176.594 176.300 -0.033 0.000 1.035 539 D CA 0.574 54.574 54.000 0.000 0.000 0.875 539 D CB 1.769 42.593 40.800 0.039 0.000 0.984 539 D HN 0.186 nan 8.370 nan 0.000 0.508 540 V N 0.477 120.328 119.914 -0.104 0.000 2.668 540 V HA 0.675 4.803 4.120 0.013 0.000 0.304 540 V C -1.647 174.185 176.094 -0.436 0.000 1.071 540 V CA -0.762 61.393 62.300 -0.242 0.000 0.894 540 V CB 1.707 33.390 31.823 -0.234 0.000 1.008 540 V HN 0.061 nan 8.190 nan 0.000 0.425 541 A N 6.293 128.867 122.820 -0.410 0.000 2.331 541 A HA 0.866 5.194 4.320 0.013 0.000 0.320 541 A C -1.152 176.176 177.584 -0.427 0.000 1.138 541 A CA -0.384 51.449 52.037 -0.340 0.000 0.790 541 A CB 0.773 19.703 19.000 -0.117 0.000 1.206 541 A HN 0.745 nan 8.150 nan 0.000 0.470 542 F N 2.886 122.803 119.950 -0.055 0.000 2.350 542 F HA 0.494 5.029 4.527 0.013 0.000 0.365 542 F C 0.551 176.392 175.800 0.068 0.000 1.122 542 F CA -0.149 57.874 58.000 0.039 0.000 1.139 542 F CB 1.415 40.450 39.000 0.057 0.000 1.220 542 F HN 0.525 nan 8.300 nan 0.000 0.499 543 V N 0.092 120.119 119.914 0.189 0.000 3.181 543 V HA 0.614 4.741 4.120 0.013 0.000 0.307 543 V C -0.878 175.334 176.094 0.197 0.000 1.310 543 V CA -1.640 60.795 62.300 0.225 0.000 1.067 543 V CB 1.909 33.840 31.823 0.180 0.000 1.081 543 V HN 0.553 nan 8.190 nan 0.000 0.453 544 K N 0.220 120.733 120.400 0.189 0.000 2.126 544 K HA 0.333 4.661 4.320 0.013 0.000 0.257 544 K C 0.628 177.193 176.600 -0.059 0.000 1.007 544 K CA 0.252 56.575 56.287 0.061 0.000 0.928 544 K CB 1.001 33.448 32.500 -0.090 0.000 1.013 544 K HN 0.805 nan 8.250 nan 0.000 0.473 545 D N 1.911 122.284 120.400 -0.044 0.000 2.126 545 D HA -0.222 4.425 4.640 0.013 0.000 0.190 545 D C 1.667 177.874 176.300 -0.155 0.000 1.001 545 D CA 1.281 55.234 54.000 -0.077 0.000 0.841 545 D CB -0.750 40.023 40.800 -0.045 0.000 0.949 545 D HN 0.293 nan 8.370 nan 0.000 0.446 546 V N 1.072 120.878 119.914 -0.179 0.000 2.546 546 V HA -0.234 3.894 4.120 0.013 0.000 0.254 546 V C 2.597 178.515 176.094 -0.293 0.000 1.076 546 V CA 2.181 64.348 62.300 -0.222 0.000 1.087 546 V CB -0.781 30.905 31.823 -0.228 0.000 0.674 546 V HN 0.360 nan 8.190 nan 0.000 0.470 547 T N -0.357 113.990 114.554 -0.344 0.000 2.788 547 T HA -0.151 4.207 4.350 0.013 0.000 0.268 547 T C 1.855 176.181 174.700 -0.624 0.000 1.044 547 T CA 1.681 63.543 62.100 -0.398 0.000 1.139 547 T CB -0.102 68.595 68.868 -0.286 0.000 0.867 547 T HN 0.384 nan 8.240 nan 0.000 0.454 548 V N 1.902 121.383 119.914 -0.722 0.000 2.270 548 V HA -0.114 4.014 4.120 0.013 0.000 0.245 548 V C 2.560 178.328 176.094 -0.543 0.000 1.043 548 V CA 1.406 63.090 62.300 -1.027 0.000 1.014 548 V CB -0.919 30.553 31.823 -0.586 0.000 0.645 548 V HN 0.435 nan 8.190 nan 0.000 0.447 549 L N 0.039 121.069 121.223 -0.321 0.000 2.051 549 L HA -0.301 4.047 4.340 0.013 0.000 0.214 549 L C 2.574 179.338 176.870 -0.177 0.000 1.076 549 L CA 2.018 56.741 54.840 -0.194 0.000 0.758 549 L CB -0.847 41.125 42.059 -0.145 0.000 0.890 549 L HN 0.471 nan 8.230 nan 0.000 0.433 550 Q N -0.667 119.009 119.800 -0.205 0.000 2.444 550 Q HA 0.003 4.351 4.340 0.013 0.000 0.206 550 Q C 0.871 176.795 176.000 -0.126 0.000 0.948 550 Q CA 0.331 56.044 55.803 -0.150 0.000 0.946 550 Q CB 0.118 28.769 28.738 -0.145 0.000 1.027 550 Q HN 0.514 nan 8.270 nan 0.000 0.513 551 N N 0.610 119.216 118.700 -0.158 0.000 2.197 551 N HA 0.048 4.795 4.740 0.013 0.000 0.228 551 N C -0.296 175.180 175.510 -0.057 0.000 1.212 551 N CA 0.311 53.315 53.050 -0.077 0.000 0.883 551 N CB 1.308 39.860 38.487 0.107 0.000 1.107 551 N HN 0.205 nan 8.380 nan 0.000 0.519 552 T N -2.726 111.792 114.554 -0.059 0.000 2.910 552 T HA 0.342 4.700 4.350 0.013 0.000 0.287 552 T C -0.378 174.311 174.700 -0.018 0.000 1.050 552 T CA -0.387 61.716 62.100 0.006 0.000 1.011 552 T CB 2.055 70.964 68.868 0.069 0.000 1.195 552 T HN -0.112 nan 8.240 nan 0.000 0.540 553 D N 0.032 120.437 120.400 0.008 0.000 2.699 553 D HA -0.135 4.513 4.640 0.013 0.000 0.239 553 D C 1.287 177.569 176.300 -0.031 0.000 1.136 553 D CA 1.863 55.860 54.000 -0.006 0.000 0.668 553 D CB -1.652 39.145 40.800 -0.004 0.000 1.060 553 D HN 1.577 nan 8.370 nan 0.000 0.429 554 G N -0.282 108.489 108.800 -0.048 0.000 2.205 554 G HA2 -0.490 3.478 3.960 0.013 0.000 0.269 554 G HA3 -0.490 3.478 3.960 0.013 0.000 0.269 554 G C 1.297 176.153 174.900 -0.074 0.000 0.977 554 G CA 1.333 46.394 45.100 -0.065 0.000 0.652 554 G HN 0.540 nan 8.290 nan 0.000 0.539 555 K N -0.183 120.173 120.400 -0.073 0.000 2.057 555 K HA -0.066 4.262 4.320 0.013 0.000 0.207 555 K C 1.178 177.727 176.600 -0.085 0.000 1.049 555 K CA 1.103 57.348 56.287 -0.071 0.000 0.931 555 K CB -0.001 32.457 32.500 -0.070 0.000 0.714 555 K HN 0.544 nan 8.250 nan 0.000 0.440 556 N N 0.244 118.870 118.700 -0.122 0.000 2.419 556 N HA 0.041 4.789 4.740 0.013 0.000 0.277 556 N C -0.222 175.168 175.510 -0.201 0.000 1.006 556 N CA -0.323 52.636 53.050 -0.151 0.000 0.923 556 N CB 1.133 39.496 38.487 -0.207 0.000 1.140 556 N HN -0.034 nan 8.380 nan 0.000 0.488 557 S N 1.536 117.147 115.700 -0.148 0.000 2.557 557 S HA 0.108 4.586 4.470 0.013 0.000 0.223 557 S C 0.223 174.732 174.600 -0.153 0.000 0.969 557 S CA -0.405 57.712 58.200 -0.138 0.000 0.927 557 S CB 0.057 63.210 63.200 -0.078 0.000 0.806 557 S HN 0.627 nan 8.310 nan 0.000 0.489 558 E N 2.788 122.864 120.200 -0.207 0.000 2.366 558 E HA 0.135 4.493 4.350 0.013 0.000 0.266 558 E C -1.647 174.762 176.600 -0.319 0.000 1.015 558 E CA -1.984 54.325 56.400 -0.153 0.000 0.906 558 E CB 0.583 30.290 29.700 0.012 0.000 0.979 558 E HN 0.026 nan 8.360 nan 0.000 0.443 559 P HA -0.308 nan 4.420 nan 0.000 0.227 559 P C 1.093 178.350 177.300 -0.071 0.000 1.106 559 P CA 1.976 65.055 63.100 -0.035 0.000 0.998 559 P CB -0.291 31.464 31.700 0.092 0.000 0.769 560 W N -0.985 120.342 121.300 0.046 0.000 2.350 560 W HA -0.037 4.631 4.660 0.013 0.000 0.289 560 W C 1.744 178.291 176.519 0.046 0.000 1.215 560 W CA 1.159 58.531 57.345 0.045 0.000 1.236 560 W CB -1.832 27.658 29.460 0.050 0.000 1.130 560 W HN -0.061 nan 8.180 nan 0.000 0.541 561 A N 1.507 123.557 122.820 -1.284 0.000 1.838 561 A HA -0.113 4.215 4.320 0.013 0.000 0.215 561 A C 2.019 179.341 177.584 -0.436 0.000 1.273 561 A CA 2.236 53.604 52.037 -1.115 0.000 0.602 561 A CB -1.246 16.855 19.000 -1.498 0.000 0.934 561 A HN 0.177 nan 8.150 nan 0.000 0.461 562 K N -1.299 118.878 120.400 -0.373 0.000 2.465 562 K HA -0.366 3.962 4.320 0.013 0.000 0.211 562 K C 1.010 177.546 176.600 -0.106 0.000 0.729 562 K CA 2.537 58.711 56.287 -0.187 0.000 1.125 562 K CB -0.944 31.474 32.500 -0.137 0.000 1.061 562 K HN 0.508 nan 8.250 nan 0.000 0.630 563 D N 0.811 121.170 120.400 -0.068 0.000 2.363 563 D HA 0.045 4.693 4.640 0.013 0.000 0.226 563 D C 0.322 176.633 176.300 0.018 0.000 1.020 563 D CA 0.409 54.398 54.000 -0.018 0.000 0.892 563 D CB -0.124 40.675 40.800 -0.001 0.000 0.900 563 D HN 0.235 nan 8.370 nan 0.000 0.531 564 L N 0.703 121.939 121.223 0.023 0.000 2.461 564 L HA 0.121 4.469 4.340 0.013 0.000 0.272 564 L C 0.701 177.649 176.870 0.130 0.000 1.197 564 L CA 0.517 55.436 54.840 0.132 0.000 0.836 564 L CB 0.548 42.714 42.059 0.178 0.000 1.105 564 L HN -0.343 nan 8.230 nan 0.000 0.477 565 K N 1.545 122.066 120.400 0.203 0.000 2.427 565 K HA 0.228 4.556 4.320 0.013 0.000 0.252 565 K C 0.112 176.866 176.600 0.257 0.000 0.931 565 K CA -0.612 55.769 56.287 0.156 0.000 0.793 565 K CB 2.054 34.608 32.500 0.089 0.000 1.211 565 K HN 0.466 nan 8.250 nan 0.000 0.426 566 Q N 1.144 121.056 119.800 0.186 0.000 2.439 566 Q HA -0.168 4.180 4.340 0.013 0.000 0.211 566 Q C 0.672 176.791 176.000 0.199 0.000 0.978 566 Q CA 1.028 56.955 55.803 0.206 0.000 0.897 566 Q CB 0.232 29.024 28.738 0.091 0.000 0.956 566 Q HN 0.458 nan 8.270 nan 0.000 0.483 567 E N 0.797 121.078 120.200 0.135 0.000 2.122 567 E HA -0.111 4.247 4.350 0.013 0.000 0.190 567 E C 1.150 177.770 176.600 0.033 0.000 0.977 567 E CA 0.617 57.062 56.400 0.074 0.000 0.820 567 E CB -0.145 29.577 29.700 0.038 0.000 0.770 567 E HN 0.320 nan 8.360 nan 0.000 0.462 568 D N 0.097 120.496 120.400 -0.002 0.000 2.309 568 D HA -0.051 4.597 4.640 0.013 0.000 0.212 568 D C -0.103 175.896 176.300 -0.501 0.000 0.968 568 D CA 0.659 54.509 54.000 -0.249 0.000 0.882 568 D CB -0.095 40.498 40.800 -0.343 0.000 0.918 568 D HN 0.084 nan 8.370 nan 0.000 0.503 569 F N 0.474 120.466 119.950 0.070 0.000 2.480 569 F HA 0.401 4.936 4.527 0.013 0.000 0.329 569 F C 0.759 176.596 175.800 0.063 0.000 1.091 569 F CA -0.731 57.320 58.000 0.087 0.000 0.972 569 F CB 1.706 40.806 39.000 0.167 0.000 1.150 569 F HN -0.385 nan 8.300 nan 0.000 0.467 570 E N 2.238 122.573 120.200 0.226 0.000 2.416 570 E HA 0.648 5.006 4.350 0.013 0.000 0.273 570 E C -1.434 175.253 176.600 0.144 0.000 0.935 570 E CA -0.996 55.489 56.400 0.141 0.000 0.784 570 E CB 3.000 32.747 29.700 0.078 0.000 1.301 570 E HN 0.399 nan 8.360 nan 0.000 0.454 571 L N 1.228 122.511 121.223 0.100 0.000 2.330 571 L HA 0.519 4.867 4.340 0.013 0.000 0.271 571 L C -0.567 176.347 176.870 0.073 0.000 1.013 571 L CA -0.986 53.904 54.840 0.083 0.000 0.816 571 L CB 0.932 43.029 42.059 0.064 0.000 1.287 571 L HN 0.284 nan 8.230 nan 0.000 0.435 572 L N 1.841 123.112 121.223 0.081 0.000 2.255 572 L HA 0.366 4.714 4.340 0.013 0.000 0.289 572 L C -0.575 176.303 176.870 0.013 0.000 1.046 572 L CA -0.483 54.422 54.840 0.109 0.000 0.816 572 L CB 1.061 43.262 42.059 0.236 0.000 1.197 572 L HN 0.674 nan 8.230 nan 0.000 0.427 573 c N 3.327 121.919 118.600 -0.012 0.000 2.536 573 c HA 0.167 4.745 4.570 0.013 0.000 0.396 573 c C 2.106 176.086 174.090 -0.183 0.000 1.279 573 c CA -0.766 55.499 56.329 -0.106 0.000 2.148 573 c CB 0.745 43.217 42.510 -0.064 0.000 2.584 573 c HN 0.829 nan 8.230 nan 0.000 0.579 574 L N 1.711 122.733 121.223 -0.334 0.000 2.263 574 L HA -0.148 4.200 4.340 0.013 0.000 0.216 574 L C 1.755 178.528 176.870 -0.162 0.000 1.111 574 L CA 1.438 56.021 54.840 -0.428 0.000 0.773 574 L CB -0.317 41.503 42.059 -0.398 0.000 0.906 574 L HN 0.825 nan 8.230 nan 0.000 0.439 575 D N -1.095 119.254 120.400 -0.085 0.000 2.561 575 D HA 0.121 4.769 4.640 0.013 0.000 0.232 575 D C 1.320 177.643 176.300 0.039 0.000 1.198 575 D CA 0.518 54.511 54.000 -0.013 0.000 0.826 575 D CB 0.231 41.015 40.800 -0.027 0.000 0.992 575 D HN 0.229 nan 8.370 nan 0.000 0.490 576 G N 0.111 108.964 108.800 0.088 0.000 2.320 576 G HA2 -0.332 3.636 3.960 0.013 0.000 0.242 576 G HA3 -0.332 3.636 3.960 0.013 0.000 0.242 576 G C 0.723 175.679 174.900 0.093 0.000 1.033 576 G CA 0.520 45.694 45.100 0.123 0.000 0.620 576 G HN 0.546 nan 8.290 nan 0.000 0.517 577 T N 0.603 115.189 114.554 0.053 0.000 2.667 577 T HA 0.577 4.935 4.350 0.013 0.000 0.305 577 T C 0.462 175.191 174.700 0.048 0.000 1.022 577 T CA 0.281 62.405 62.100 0.040 0.000 0.995 577 T CB 0.824 69.702 68.868 0.016 0.000 1.026 577 T HN 0.566 nan 8.240 nan 0.000 0.527 578 R N 0.502 121.026 120.500 0.040 0.000 2.510 578 R HA 0.419 4.767 4.340 0.013 0.000 0.287 578 R C -0.950 175.371 176.300 0.034 0.000 1.084 578 R CA -0.945 55.182 56.100 0.045 0.000 0.934 578 R CB 1.556 31.887 30.300 0.051 0.000 1.201 578 R HN 0.374 nan 8.270 nan 0.000 0.431 579 K N 2.209 122.630 120.400 0.035 0.000 2.350 579 K HA 0.541 4.869 4.320 0.013 0.000 0.241 579 K C -2.635 173.992 176.600 0.044 0.000 0.994 579 K CA -2.471 53.835 56.287 0.032 0.000 0.839 579 K CB 1.646 34.161 32.500 0.024 0.000 1.244 579 K HN 0.201 nan 8.250 nan 0.000 0.443 580 P HA 0.022 nan 4.420 nan 0.000 0.271 580 P C 0.925 178.260 177.300 0.059 0.000 1.233 580 P CA -0.310 62.822 63.100 0.054 0.000 0.789 580 P CB 0.438 32.162 31.700 0.041 0.000 0.951 581 V N 0.490 120.450 119.914 0.077 0.000 3.026 581 V HA -0.218 3.909 4.120 0.013 0.000 0.265 581 V C 2.034 178.145 176.094 0.028 0.000 1.121 581 V CA 2.268 64.604 62.300 0.060 0.000 1.142 581 V CB -1.831 30.032 31.823 0.066 0.000 0.730 581 V HN 0.647 nan 8.190 nan 0.000 0.503 582 A N -0.475 122.362 122.820 0.027 0.000 2.206 582 A HA -0.004 4.324 4.320 0.013 0.000 0.211 582 A C 1.873 179.467 177.584 0.016 0.000 1.158 582 A CA 0.584 52.629 52.037 0.013 0.000 0.761 582 A CB -0.155 18.852 19.000 0.012 0.000 0.801 582 A HN 0.500 nan 8.150 nan 0.000 0.473 583 E N -0.145 120.071 120.200 0.026 0.000 2.463 583 E HA 0.216 4.574 4.350 0.013 0.000 0.193 583 E C 1.797 178.424 176.600 0.045 0.000 1.041 583 E CA 0.566 56.983 56.400 0.029 0.000 0.879 583 E CB -0.155 29.561 29.700 0.026 0.000 0.997 583 E HN 0.551 nan 8.360 nan 0.000 0.478 584 A N 1.704 124.554 122.820 0.049 0.000 2.009 584 A HA -0.270 4.058 4.320 0.013 0.000 0.222 584 A C 2.022 179.710 177.584 0.172 0.000 1.175 584 A CA 1.436 53.525 52.037 0.086 0.000 0.651 584 A CB -0.262 18.765 19.000 0.045 0.000 0.815 584 A HN 0.092 nan 8.150 nan 0.000 0.459 585 E N -0.103 120.163 120.200 0.110 0.000 2.118 585 E HA -0.115 4.243 4.350 0.013 0.000 0.195 585 E C 1.678 178.403 176.600 0.208 0.000 0.992 585 E CA 1.520 58.003 56.400 0.139 0.000 0.804 585 E CB -0.202 29.530 29.700 0.054 0.000 0.741 585 E HN 0.599 nan 8.360 nan 0.000 0.458 586 S N -1.075 114.685 115.700 0.100 0.000 2.539 586 S HA 0.074 4.552 4.470 0.013 0.000 0.221 586 S C 0.584 175.149 174.600 -0.058 0.000 0.987 586 S CA -0.286 57.921 58.200 0.012 0.000 0.929 586 S CB 0.505 63.706 63.200 0.002 0.000 0.832 586 S HN 0.196 nan 8.310 nan 0.000 0.492 587 c N 4.288 122.878 118.600 -0.018 0.000 3.493 587 c HA 0.455 5.032 4.570 0.013 0.000 0.228 587 c C -0.566 173.515 174.090 -0.016 0.000 1.227 587 c CA -0.498 55.790 56.329 -0.069 0.000 1.291 587 c CB -1.095 41.405 42.510 -0.016 0.000 1.820 587 c HN 0.676 nan 8.230 nan 0.000 0.547 588 H N 0.994 120.023 119.070 -0.068 0.000 2.946 588 H HA 0.463 5.026 4.556 0.013 0.000 0.365 588 H C -0.117 175.144 175.328 -0.113 0.000 1.197 588 H CA -0.837 55.172 56.048 -0.066 0.000 1.131 588 H CB 0.922 30.661 29.762 -0.039 0.000 1.849 588 H HN 0.293 nan 8.280 nan 0.000 0.555 589 L N 0.091 121.340 121.223 0.043 0.000 2.249 589 L HA 0.391 4.739 4.340 0.013 0.000 0.207 589 L C 0.995 177.888 176.870 0.040 0.000 1.090 589 L CA 1.125 55.918 54.840 -0.079 0.000 0.802 589 L CB -0.040 41.974 42.059 -0.075 0.000 0.947 589 L HN 0.792 nan 8.230 nan 0.000 0.453 590 A N -0.041 122.906 122.820 0.213 0.000 2.515 590 A HA 0.611 4.939 4.320 0.013 0.000 0.292 590 A C -1.393 176.177 177.584 -0.024 0.000 1.065 590 A CA -0.689 51.434 52.037 0.142 0.000 0.641 590 A CB 0.946 19.936 19.000 -0.016 0.000 1.306 590 A HN 0.076 nan 8.150 nan 0.000 0.441 591 R N 0.413 120.835 120.500 -0.131 0.000 2.337 591 R HA 0.725 5.073 4.340 0.013 0.000 0.319 591 R C -0.292 175.806 176.300 -0.336 0.000 0.954 591 R CA 0.549 56.495 56.100 -0.256 0.000 0.840 591 R CB 1.053 31.225 30.300 -0.214 0.000 1.164 591 R HN 1.534 nan 8.270 nan 0.000 0.472 592 A N 5.106 127.614 122.820 -0.519 0.000 2.269 592 A HA 0.712 5.040 4.320 0.013 0.000 0.319 592 A C -2.429 174.750 177.584 -0.675 0.000 1.110 592 A CA -2.039 49.587 52.037 -0.685 0.000 0.847 592 A CB 0.597 19.125 19.000 -0.785 0.000 1.161 592 A HN 0.663 nan 8.150 nan 0.000 0.497 593 P HA 0.219 nan 4.420 nan 0.000 0.275 593 P C -0.739 176.522 177.300 -0.066 0.000 1.227 593 P CA -0.281 62.629 63.100 -0.317 0.000 0.781 593 P CB 0.466 31.970 31.700 -0.326 0.000 0.906 594 N N 0.634 119.422 118.700 0.148 0.000 2.453 594 N HA 0.033 4.781 4.740 0.013 0.000 0.253 594 N C 0.322 176.193 175.510 0.600 0.000 1.252 594 N CA 0.111 53.431 53.050 0.451 0.000 0.917 594 N CB -0.105 38.590 38.487 0.346 0.000 1.117 594 N HN 0.486 nan 8.380 nan 0.000 0.442 595 H N -0.083 119.227 119.070 0.400 0.000 2.895 595 H HA 0.341 4.905 4.556 0.013 0.000 0.371 595 H C -0.235 175.272 175.328 0.298 0.000 1.219 595 H CA -0.245 56.007 56.048 0.341 0.000 1.431 595 H CB 0.497 30.429 29.762 0.283 0.000 1.414 595 H HN 0.572 nan 8.280 nan 0.000 0.617 596 A N 1.092 124.130 122.820 0.364 0.000 2.604 596 A HA 0.418 4.746 4.320 0.013 0.000 0.295 596 A C -0.893 176.797 177.584 0.176 0.000 1.067 596 A CA -0.736 51.424 52.037 0.206 0.000 0.683 596 A CB 1.042 20.032 19.000 -0.017 0.000 1.281 596 A HN 0.391 nan 8.150 nan 0.000 0.407 597 V N 1.054 121.072 119.914 0.174 0.000 2.686 597 V HA 0.530 4.658 4.120 0.013 0.000 0.295 597 V C 0.400 176.525 176.094 0.052 0.000 1.055 597 V CA 0.122 62.520 62.300 0.163 0.000 1.050 597 V CB 1.029 33.033 31.823 0.302 0.000 0.984 597 V HN 1.400 nan 8.190 nan 0.000 0.482 598 V N 1.451 121.355 119.914 -0.016 0.000 3.007 598 V HA 1.064 5.191 4.120 0.013 0.000 0.311 598 V C -0.449 175.606 176.094 -0.065 0.000 1.120 598 V CA -0.185 62.101 62.300 -0.024 0.000 0.980 598 V CB 1.953 33.772 31.823 -0.007 0.000 1.033 598 V HN 1.103 nan 8.190 nan 0.000 0.429 599 S N 1.631 117.313 115.700 -0.031 0.000 2.672 599 S HA 0.546 5.023 4.470 0.013 0.000 0.271 599 S C -1.143 173.453 174.600 -0.007 0.000 1.171 599 S CA -1.099 57.081 58.200 -0.033 0.000 0.817 599 S CB 1.568 64.762 63.200 -0.010 0.000 1.150 599 S HN 0.947 nan 8.310 nan 0.000 0.478 600 Q N 1.169 120.967 119.800 -0.004 0.000 2.454 600 Q HA 0.251 4.598 4.340 0.013 0.000 0.247 600 Q C 1.307 177.318 176.000 0.018 0.000 1.028 600 Q CA 0.484 56.290 55.803 0.006 0.000 0.910 600 Q CB 0.874 29.614 28.738 0.004 0.000 1.276 600 Q HN 0.950 nan 8.270 nan 0.000 0.489 601 S N 0.028 115.742 115.700 0.022 0.000 2.507 601 S HA -0.148 4.330 4.470 0.013 0.000 0.235 601 S C 0.983 175.601 174.600 0.030 0.000 0.988 601 S CA 1.079 59.295 58.200 0.028 0.000 0.944 601 S CB 0.097 63.314 63.200 0.028 0.000 0.762 601 S HN 0.516 nan 8.310 nan 0.000 0.526 602 D N 2.155 122.569 120.400 0.023 0.000 2.078 602 D HA -0.029 4.619 4.640 0.013 0.000 0.193 602 D C 2.132 178.448 176.300 0.026 0.000 0.990 602 D CA 1.074 55.086 54.000 0.019 0.000 0.827 602 D CB 0.028 40.833 40.800 0.008 0.000 0.975 602 D HN 0.288 nan 8.370 nan 0.000 0.451 603 R N 0.011 120.530 120.500 0.033 0.000 2.312 603 R HA 0.336 4.684 4.340 0.013 0.000 0.205 603 R C 1.853 178.211 176.300 0.096 0.000 0.904 603 R CA 0.479 56.616 56.100 0.063 0.000 1.052 603 R CB -0.027 30.306 30.300 0.055 0.000 1.014 603 R HN 0.068 nan 8.270 nan 0.000 0.503 604 A N 1.555 124.415 122.820 0.066 0.000 1.948 604 A HA -0.269 4.059 4.320 0.013 0.000 0.220 604 A C 2.149 179.775 177.584 0.070 0.000 1.177 604 A CA 1.655 53.729 52.037 0.062 0.000 0.636 604 A CB -0.356 18.671 19.000 0.045 0.000 0.815 604 A HN 0.354 nan 8.150 nan 0.000 0.449 605 Q N -1.855 117.996 119.800 0.086 0.000 2.212 605 Q HA -0.149 4.199 4.340 0.013 0.000 0.199 605 Q C 2.071 178.140 176.000 0.115 0.000 0.950 605 Q CA 1.057 56.914 55.803 0.091 0.000 0.863 605 Q CB -0.216 28.575 28.738 0.089 0.000 0.944 605 Q HN 0.911 nan 8.270 nan 0.000 0.465 606 H N 0.182 119.274 119.070 0.037 0.000 2.333 606 H HA -0.104 4.460 4.556 0.013 0.000 0.302 606 H C 2.057 177.410 175.328 0.043 0.000 1.075 606 H CA 1.075 57.147 56.048 0.039 0.000 1.348 606 H CB 0.022 29.803 29.762 0.031 0.000 1.393 606 H HN 0.288 nan 8.280 nan 0.000 0.509 607 L N 1.712 123.016 121.223 0.136 0.000 2.089 607 L HA -0.213 4.135 4.340 0.013 0.000 0.213 607 L C 2.392 179.263 176.870 0.002 0.000 1.079 607 L CA 1.841 56.736 54.840 0.092 0.000 0.758 607 L CB -0.811 41.323 42.059 0.125 0.000 0.891 607 L HN 0.299 nan 8.230 nan 0.000 0.433 608 K N -0.365 120.012 120.400 -0.038 0.000 2.097 608 K HA -0.220 4.108 4.320 0.013 0.000 0.205 608 K C 2.171 178.637 176.600 -0.223 0.000 1.050 608 K CA 1.308 57.487 56.287 -0.180 0.000 0.938 608 K CB 0.089 32.528 32.500 -0.102 0.000 0.718 608 K HN 0.225 nan 8.250 nan 0.000 0.442 609 K N 0.338 120.692 120.400 -0.077 0.000 1.973 609 K HA -0.122 4.206 4.320 0.013 0.000 0.212 609 K C 1.846 178.431 176.600 -0.026 0.000 1.047 609 K CA 1.555 57.839 56.287 -0.006 0.000 0.937 609 K CB -0.112 32.367 32.500 -0.035 0.000 0.721 609 K HN -0.065 nan 8.250 nan 0.000 0.440 610 V N 1.948 121.783 119.914 -0.132 0.000 2.380 610 V HA -0.275 3.853 4.120 0.013 0.000 0.251 610 V C 2.337 178.454 176.094 0.039 0.000 1.063 610 V CA 1.681 63.935 62.300 -0.076 0.000 1.055 610 V CB -0.394 31.335 31.823 -0.156 0.000 0.657 610 V HN 0.368 nan 8.190 nan 0.000 0.455 611 L N -1.721 119.513 121.223 0.019 0.000 2.141 611 L HA -0.133 4.215 4.340 0.013 0.000 0.209 611 L C 2.388 179.302 176.870 0.075 0.000 1.094 611 L CA 1.406 56.283 54.840 0.063 0.000 0.763 611 L CB -0.451 41.607 42.059 -0.002 0.000 0.908 611 L HN 0.273 nan 8.230 nan 0.000 0.437 612 F N -0.073 119.929 119.950 0.087 0.000 2.206 612 F HA -0.137 4.398 4.527 0.013 0.000 0.298 612 F C 2.215 178.032 175.800 0.029 0.000 1.090 612 F CA 0.856 58.888 58.000 0.053 0.000 1.323 612 F CB -0.646 38.376 39.000 0.036 0.000 1.028 612 F HN -0.059 nan 8.300 nan 0.000 0.492 613 L N -0.892 120.460 121.223 0.215 0.000 1.961 613 L HA -0.208 4.140 4.340 0.013 0.000 0.209 613 L C 2.623 179.554 176.870 0.102 0.000 1.075 613 L CA 1.049 55.958 54.840 0.114 0.000 0.749 613 L CB -1.112 40.997 42.059 0.083 0.000 0.890 613 L HN 0.005 nan 8.230 nan 0.000 0.433 614 Q N 0.583 120.497 119.800 0.189 0.000 2.156 614 Q HA -0.318 4.030 4.340 0.013 0.000 0.211 614 Q C 2.122 178.262 176.000 0.233 0.000 0.995 614 Q CA 2.516 58.530 55.803 0.353 0.000 0.877 614 Q CB -0.578 28.476 28.738 0.527 0.000 0.920 614 Q HN 0.732 nan 8.270 nan 0.000 0.416 615 Q N -0.346 119.515 119.800 0.102 0.000 2.435 615 Q HA -0.080 4.267 4.340 0.013 0.000 0.207 615 Q C 0.616 176.562 176.000 -0.090 0.000 0.956 615 Q CA 1.161 56.925 55.803 -0.066 0.000 0.917 615 Q CB 0.213 28.970 28.738 0.032 0.000 0.997 615 Q HN 0.127 nan 8.270 nan 0.000 0.497 616 D N 0.535 120.900 120.400 -0.057 0.000 2.271 616 D HA -0.074 4.574 4.640 0.013 0.000 0.206 616 D C 1.617 177.789 176.300 -0.213 0.000 0.967 616 D CA 0.636 54.577 54.000 -0.099 0.000 0.867 616 D CB 0.159 40.923 40.800 -0.060 0.000 0.960 616 D HN 0.402 nan 8.370 nan 0.000 0.509 617 Q N -0.851 118.732 119.800 -0.362 0.000 2.089 617 Q HA -0.015 4.333 4.340 0.013 0.000 0.195 617 Q C 0.456 175.943 176.000 -0.856 0.000 0.963 617 Q CA 0.955 56.326 55.803 -0.719 0.000 0.834 617 Q CB 0.208 28.280 28.738 -1.110 0.000 0.906 617 Q HN 0.233 nan 8.270 nan 0.000 0.452 618 F N -0.828 119.060 119.950 -0.103 0.000 2.735 618 F HA 0.417 4.951 4.527 0.013 0.000 0.304 618 F C 0.795 176.340 175.800 -0.425 0.000 1.119 618 F CA -0.436 57.460 58.000 -0.172 0.000 1.280 618 F CB 0.188 39.176 39.000 -0.020 0.000 0.994 618 F HN -0.012 nan 8.300 nan 0.000 0.520 619 G N 0.322 108.923 108.800 -0.332 0.000 2.504 619 G HA2 0.352 4.319 3.960 0.013 0.000 0.257 619 G HA3 0.352 4.319 3.960 0.013 0.000 0.257 619 G C 1.332 176.075 174.900 -0.263 0.000 1.451 619 G CA -0.078 44.690 45.100 -0.553 0.000 1.059 619 G HN 0.247 nan 8.290 nan 0.000 0.550 620 G N -0.941 107.849 108.800 -0.015 0.000 2.479 620 G HA2 -0.158 3.810 3.960 0.013 0.000 0.220 620 G HA3 -0.158 3.810 3.960 0.013 0.000 0.220 620 G C 0.946 175.841 174.900 -0.009 0.000 1.115 620 G CA 1.019 46.159 45.100 0.068 0.000 0.757 620 G HN 0.591 nan 8.290 nan 0.000 0.560 621 N N -0.543 118.134 118.700 -0.038 0.000 2.377 621 N HA 0.282 5.030 4.740 0.013 0.000 0.259 621 N C 0.570 176.034 175.510 -0.077 0.000 1.332 621 N CA -0.352 52.670 53.050 -0.048 0.000 0.877 621 N CB 1.223 39.689 38.487 -0.035 0.000 1.299 621 N HN 0.202 nan 8.380 nan 0.000 0.501 622 G N 1.500 110.236 108.800 -0.108 0.000 2.343 622 G HA2 0.116 4.083 3.960 0.013 0.000 0.254 622 G HA3 0.116 4.083 3.960 0.013 0.000 0.254 622 G C -1.575 173.259 174.900 -0.110 0.000 1.277 622 G CA -0.754 44.260 45.100 -0.144 0.000 0.909 622 G HN -0.022 nan 8.290 nan 0.000 0.502 623 P HA -0.109 nan 4.420 nan 0.000 0.216 623 P C 0.958 178.222 177.300 -0.060 0.000 1.153 623 P CA 1.107 64.156 63.100 -0.084 0.000 0.858 623 P CB 0.322 31.965 31.700 -0.096 0.000 0.789 624 D N -1.924 118.431 120.400 -0.075 0.000 2.370 624 D HA 0.014 4.662 4.640 0.013 0.000 0.230 624 D C 1.420 177.775 176.300 0.091 0.000 1.143 624 D CA 0.016 54.025 54.000 0.016 0.000 0.834 624 D CB -0.554 40.271 40.800 0.040 0.000 0.944 624 D HN 0.161 nan 8.370 nan 0.000 0.504 625 c N 1.451 120.064 118.600 0.022 0.000 2.928 625 c HA -0.061 4.517 4.570 0.013 0.000 0.291 625 c C -0.388 173.699 174.090 -0.004 0.000 1.260 625 c CA 0.776 57.111 56.329 0.010 0.000 1.756 625 c CB -0.911 41.565 42.510 -0.057 0.000 2.125 625 c HN 0.176 nan 8.230 nan 0.000 0.467 626 P HA 0.030 nan 4.420 nan 0.000 0.216 626 P C 1.480 178.782 177.300 0.004 0.000 1.153 626 P CA 2.251 65.339 63.100 -0.020 0.000 0.858 626 P CB -0.500 31.188 31.700 -0.019 0.000 0.789 627 G N 1.327 110.138 108.800 0.020 0.000 2.900 627 G HA2 -0.310 3.658 3.960 0.013 0.000 0.212 627 G HA3 -0.310 3.658 3.960 0.013 0.000 0.212 627 G C 1.294 176.233 174.900 0.066 0.000 1.359 627 G CA 2.085 47.208 45.100 0.039 0.000 0.800 627 G HN 0.418 nan 8.290 nan 0.000 0.680 628 K N -1.897 118.576 120.400 0.121 0.000 2.370 628 K HA 0.432 4.760 4.320 0.013 0.000 0.194 628 K C -0.164 176.577 176.600 0.236 0.000 1.070 628 K CA -0.193 56.190 56.287 0.160 0.000 0.998 628 K CB 0.679 33.279 32.500 0.167 0.000 0.911 628 K HN 0.333 nan 8.250 nan 0.000 0.533 629 F N 0.705 120.697 119.950 0.069 0.000 2.654 629 F HA 0.333 4.868 4.527 0.013 0.000 0.314 629 F C -1.961 173.825 175.800 -0.025 0.000 1.116 629 F CA -1.043 56.923 58.000 -0.057 0.000 1.017 629 F CB 1.743 40.559 39.000 -0.307 0.000 1.285 629 F HN -0.063 nan 8.300 nan 0.000 0.448 630 c N 7.313 125.463 118.600 -0.750 0.000 2.335 630 c HA 0.335 4.912 4.570 0.013 0.000 0.318 630 c C 1.258 174.795 174.090 -0.922 0.000 1.150 630 c CA -0.669 55.322 56.329 -0.562 0.000 1.466 630 c CB 0.176 42.479 42.510 -0.345 0.000 2.024 630 c HN 0.973 nan 8.230 nan 0.000 0.429 631 L N 2.874 123.623 121.223 -0.789 0.000 2.042 631 L HA -0.021 4.327 4.340 0.013 0.000 0.210 631 L C 1.361 177.913 176.870 -0.529 0.000 1.076 631 L CA 2.277 56.618 54.840 -0.831 0.000 0.749 631 L CB -0.384 41.069 42.059 -1.010 0.000 0.893 631 L HN 0.619 nan 8.230 nan 0.000 0.432 632 F N -0.327 119.396 119.950 -0.379 0.000 2.777 632 F HA 0.348 4.883 4.527 0.013 0.000 0.291 632 F C 0.508 176.200 175.800 -0.181 0.000 1.187 632 F CA -0.502 57.344 58.000 -0.256 0.000 1.406 632 F CB -0.930 37.934 39.000 -0.227 0.000 0.982 632 F HN -0.067 nan 8.300 nan 0.000 0.509 633 K N -0.315 120.034 120.400 -0.086 0.000 2.502 633 K HA 0.607 4.935 4.320 0.013 0.000 0.257 633 K C 0.098 176.633 176.600 -0.107 0.000 0.938 633 K CA -0.419 55.814 56.287 -0.090 0.000 0.819 633 K CB 1.931 34.353 32.500 -0.130 0.000 1.333 633 K HN -0.096 nan 8.250 nan 0.000 0.434 634 S N 0.964 116.636 115.700 -0.047 0.000 2.885 634 S HA 0.149 4.626 4.470 0.013 0.000 0.238 634 S C -0.864 173.742 174.600 0.010 0.000 0.766 634 S CA -0.628 57.559 58.200 -0.021 0.000 1.089 634 S CB -0.432 62.780 63.200 0.020 0.000 1.396 634 S HN 0.711 nan 8.310 nan 0.000 0.509 635 E N 2.158 122.358 120.200 -0.001 0.000 2.271 635 E HA -0.256 4.102 4.350 0.013 0.000 0.223 635 E C 0.630 177.260 176.600 0.050 0.000 1.223 635 E CA 0.775 57.187 56.400 0.020 0.000 0.704 635 E CB -2.244 27.473 29.700 0.030 0.000 1.194 635 E HN 1.447 nan 8.360 nan 0.000 0.375 636 T N -4.101 110.478 114.554 0.041 0.000 8.089 636 T HA -0.357 4.001 4.350 0.013 0.000 0.315 636 T C 0.797 175.560 174.700 0.104 0.000 2.025 636 T CA 2.158 64.299 62.100 0.067 0.000 3.021 636 T CB -1.279 67.647 68.868 0.096 0.000 2.356 636 T HN 0.499 nan 8.240 nan 0.000 1.220 637 K N 1.664 122.127 120.400 0.105 0.000 2.525 637 K HA 0.149 4.477 4.320 0.013 0.000 0.192 637 K C 0.762 177.442 176.600 0.133 0.000 1.029 637 K CA 0.344 56.708 56.287 0.129 0.000 1.029 637 K CB -0.150 32.424 32.500 0.123 0.000 0.814 637 K HN 0.564 nan 8.250 nan 0.000 0.503 638 N N 1.445 120.208 118.700 0.106 0.000 2.716 638 N HA -0.188 4.560 4.740 0.013 0.000 0.250 638 N C -0.730 174.867 175.510 0.145 0.000 1.033 638 N CA 0.788 53.904 53.050 0.111 0.000 0.727 638 N CB -1.433 37.130 38.487 0.126 0.000 0.950 638 N HN 0.278 nan 8.380 nan 0.000 0.541 639 L N 0.523 121.827 121.223 0.135 0.000 2.380 639 L HA 0.165 4.512 4.340 0.013 0.000 0.273 639 L C 2.140 179.105 176.870 0.157 0.000 1.138 639 L CA -0.333 54.594 54.840 0.146 0.000 0.832 639 L CB 0.402 42.537 42.059 0.126 0.000 1.124 639 L HN 0.227 nan 8.230 nan 0.000 0.454 640 L N 0.700 122.003 121.223 0.134 0.000 3.530 640 L HA -0.362 3.986 4.340 0.013 0.000 0.357 640 L C -0.198 176.530 176.870 -0.237 0.000 2.051 640 L CA 1.630 56.484 54.840 0.022 0.000 2.804 640 L CB -0.997 41.111 42.059 0.081 0.000 1.640 640 L HN 0.468 nan 8.230 nan 0.000 0.757 641 F N -1.390 118.651 119.950 0.152 0.000 2.650 641 F HA 0.466 5.001 4.527 0.013 0.000 0.320 641 F C 0.549 176.363 175.800 0.024 0.000 1.091 641 F CA -0.975 57.086 58.000 0.102 0.000 0.962 641 F CB 0.539 39.579 39.000 0.066 0.000 1.363 641 F HN -0.154 nan 8.300 nan 0.000 0.482 642 N N 1.032 119.798 118.700 0.109 0.000 2.482 642 N HA 0.044 4.792 4.740 0.013 0.000 0.260 642 N C 0.188 175.687 175.510 -0.019 0.000 1.236 642 N CA 0.135 53.168 53.050 -0.030 0.000 0.938 642 N CB 0.810 39.175 38.487 -0.203 0.000 1.128 642 N HN 0.630 nan 8.380 nan 0.000 0.448 643 D N 0.087 120.466 120.400 -0.034 0.000 2.363 643 D HA -0.090 4.558 4.640 0.013 0.000 0.220 643 D C 0.669 176.936 176.300 -0.056 0.000 0.994 643 D CA 0.660 54.647 54.000 -0.023 0.000 0.890 643 D CB 0.131 40.916 40.800 -0.026 0.000 0.906 643 D HN 0.544 nan 8.370 nan 0.000 0.530 644 N N 0.148 118.782 118.700 -0.111 0.000 2.214 644 N HA -0.047 4.701 4.740 0.013 0.000 0.214 644 N C -0.069 175.359 175.510 -0.138 0.000 1.132 644 N CA -0.097 52.884 53.050 -0.116 0.000 0.856 644 N CB -0.154 38.246 38.487 -0.144 0.000 1.020 644 N HN -0.283 nan 8.380 nan 0.000 0.509 645 T N 1.109 115.546 114.554 -0.195 0.000 2.834 645 T HA 0.007 4.365 4.350 0.013 0.000 0.298 645 T C 1.015 175.529 174.700 -0.310 0.000 0.966 645 T CA 0.001 61.870 62.100 -0.385 0.000 1.141 645 T CB 1.655 70.079 68.868 -0.741 0.000 0.905 645 T HN 0.306 nan 8.240 nan 0.000 0.535 646 E N 1.421 121.495 120.200 -0.210 0.000 2.086 646 E HA 0.033 4.391 4.350 0.013 0.000 0.190 646 E C 0.907 177.574 176.600 0.111 0.000 0.975 646 E CA 0.545 56.935 56.400 -0.017 0.000 0.813 646 E CB 0.322 30.011 29.700 -0.019 0.000 0.768 646 E HN 0.879 nan 8.360 nan 0.000 0.457 647 c N -2.319 116.234 118.600 -0.077 0.000 3.266 647 c HA 0.576 5.154 4.570 0.013 0.000 0.369 647 c C -1.423 172.615 174.090 -0.087 0.000 1.580 647 c CA -1.325 55.092 56.329 0.146 0.000 1.165 647 c CB 0.193 42.789 42.510 0.143 0.000 1.835 647 c HN 0.130 nan 8.230 nan 0.000 0.433 648 L N 2.100 123.395 121.223 0.120 0.000 2.316 648 L HA 0.688 5.035 4.340 0.013 0.000 0.280 648 L C 0.676 177.657 176.870 0.185 0.000 1.006 648 L CA -0.036 54.866 54.840 0.103 0.000 0.836 648 L CB 1.298 43.444 42.059 0.146 0.000 1.221 648 L HN 1.067 nan 8.230 nan 0.000 0.418 649 A N 3.617 126.519 122.820 0.137 0.000 2.242 649 A HA 0.562 4.890 4.320 0.013 0.000 0.304 649 A C -0.041 177.651 177.584 0.180 0.000 1.100 649 A CA -0.568 51.563 52.037 0.157 0.000 0.860 649 A CB 0.583 19.647 19.000 0.106 0.000 1.168 649 A HN 0.606 nan 8.150 nan 0.000 0.503 650 E N -0.199 120.119 120.200 0.195 0.000 2.374 650 E HA 0.205 4.563 4.350 0.013 0.000 0.260 650 E C 0.324 177.013 176.600 0.148 0.000 1.101 650 E CA -0.244 56.273 56.400 0.194 0.000 0.907 650 E CB 0.817 30.652 29.700 0.224 0.000 1.014 650 E HN 0.539 nan 8.360 nan 0.000 0.427 651 L N 1.268 122.562 121.223 0.119 0.000 2.599 651 L HA -0.056 4.292 4.340 0.013 0.000 0.230 651 L C 0.503 177.463 176.870 0.149 0.000 1.141 651 L CA 0.077 54.986 54.840 0.116 0.000 0.877 651 L CB -0.295 41.795 42.059 0.052 0.000 1.009 651 L HN 0.309 nan 8.230 nan 0.000 0.447 652 Q N 0.306 120.186 119.800 0.134 0.000 2.435 652 Q HA -0.293 4.055 4.340 0.013 0.000 0.286 652 Q C 1.273 177.333 176.000 0.100 0.000 1.229 652 Q CA 1.005 56.876 55.803 0.114 0.000 0.884 652 Q CB -1.807 26.999 28.738 0.113 0.000 1.245 652 Q HN 0.804 nan 8.270 nan 0.000 0.488 653 G N -0.576 108.281 108.800 0.095 0.000 2.399 653 G HA2 -0.289 3.679 3.960 0.013 0.000 0.216 653 G HA3 -0.289 3.679 3.960 0.013 0.000 0.216 653 G C -0.036 174.917 174.900 0.088 0.000 1.096 653 G CA -0.079 45.069 45.100 0.080 0.000 0.650 653 G HN 0.205 nan 8.290 nan 0.000 0.512 654 K N 2.850 123.324 120.400 0.125 0.000 2.046 654 K HA 0.191 4.519 4.320 0.013 0.000 0.248 654 K C 1.411 178.086 176.600 0.126 0.000 1.123 654 K CA 1.132 57.515 56.287 0.160 0.000 1.145 654 K CB -0.062 32.618 32.500 0.300 0.000 1.028 654 K HN 0.753 nan 8.250 nan 0.000 0.354 655 T N -2.353 112.249 114.554 0.080 0.000 3.060 655 T HA -0.022 4.336 4.350 0.013 0.000 0.249 655 T C 0.861 175.588 174.700 0.044 0.000 1.079 655 T CA -0.097 62.034 62.100 0.052 0.000 1.013 655 T CB 0.036 68.929 68.868 0.043 0.000 0.975 655 T HN 0.462 nan 8.240 nan 0.000 0.518 656 T N -0.535 114.044 114.554 0.042 0.000 2.908 656 T HA 0.466 4.824 4.350 0.013 0.000 0.290 656 T C 0.874 175.602 174.700 0.047 0.000 1.034 656 T CA -0.779 61.320 62.100 -0.001 0.000 1.010 656 T CB 1.350 70.150 68.868 -0.112 0.000 1.068 656 T HN 0.216 nan 8.240 nan 0.000 0.481 657 Y N 1.024 121.391 120.300 0.111 0.000 2.241 657 Y HA -0.100 4.458 4.550 0.013 0.000 0.286 657 Y C 1.819 177.823 175.900 0.173 0.000 1.166 657 Y CA 1.601 59.800 58.100 0.165 0.000 1.203 657 Y CB -1.090 37.436 38.460 0.110 0.000 0.977 657 Y HN 0.759 nan 8.280 nan 0.000 0.529 658 E N 0.504 120.440 120.200 -0.440 0.000 2.031 658 E HA -0.229 4.129 4.350 0.013 0.000 0.193 658 E C 2.273 178.872 176.600 -0.002 0.000 0.994 658 E CA 1.727 57.994 56.400 -0.223 0.000 0.800 658 E CB -0.263 29.211 29.700 -0.378 0.000 0.752 658 E HN 0.659 nan 8.360 nan 0.000 0.447 659 Q N -0.545 119.258 119.800 0.005 0.000 2.084 659 Q HA -0.195 4.153 4.340 0.013 0.000 0.202 659 Q C 1.953 178.037 176.000 0.140 0.000 0.978 659 Q CA 1.366 57.208 55.803 0.065 0.000 0.844 659 Q CB -0.180 28.597 28.738 0.065 0.000 0.898 659 Q HN 0.313 nan 8.270 nan 0.000 0.426 660 Y N 0.937 121.281 120.300 0.073 0.000 2.133 660 Y HA -0.176 4.382 4.550 0.013 0.000 0.287 660 Y C 1.702 177.683 175.900 0.136 0.000 1.134 660 Y CA 1.392 59.557 58.100 0.108 0.000 1.133 660 Y CB -0.121 38.420 38.460 0.134 0.000 0.987 660 Y HN 0.011 nan 8.280 nan 0.000 0.502 661 L N -0.538 120.738 121.223 0.088 0.000 2.240 661 L HA 0.156 4.504 4.340 0.013 0.000 0.211 661 L C 1.131 178.051 176.870 0.084 0.000 1.106 661 L CA 0.584 55.478 54.840 0.090 0.000 0.793 661 L CB -1.091 41.153 42.059 0.309 0.000 0.927 661 L HN 0.431 nan 8.230 nan 0.000 0.446 662 G N -0.546 108.300 108.800 0.076 0.000 2.690 662 G HA2 -0.227 3.741 3.960 0.013 0.000 0.686 662 G HA3 -0.227 3.741 3.960 0.013 0.000 0.686 662 G C 0.590 175.542 174.900 0.087 0.000 1.277 662 G CA -0.207 44.927 45.100 0.058 0.000 0.799 662 G HN 0.177 nan 8.290 nan 0.000 0.613 663 S N 0.753 116.489 115.700 0.060 0.000 2.378 663 S HA -0.187 4.290 4.470 0.013 0.000 0.221 663 S C 2.015 176.653 174.600 0.063 0.000 1.037 663 S CA 2.413 60.647 58.200 0.057 0.000 1.069 663 S CB -0.647 62.575 63.200 0.037 0.000 1.006 663 S HN 1.281 nan 8.310 nan 0.000 0.423 664 E N 1.817 122.053 120.200 0.060 0.000 2.054 664 E HA -0.281 4.077 4.350 0.013 0.000 0.225 664 E C 1.783 178.440 176.600 0.094 0.000 1.048 664 E CA 1.856 58.295 56.400 0.065 0.000 0.899 664 E CB -1.487 28.250 29.700 0.062 0.000 0.801 664 E HN 0.551 nan 8.360 nan 0.000 0.495 665 Y N 1.339 121.628 120.300 -0.018 0.000 2.132 665 Y HA -0.269 4.289 4.550 0.013 0.000 0.280 665 Y C 2.388 178.274 175.900 -0.023 0.000 1.193 665 Y CA 1.388 59.469 58.100 -0.032 0.000 1.157 665 Y CB -0.603 37.830 38.460 -0.044 0.000 0.966 665 Y HN -0.008 nan 8.280 nan 0.000 0.511 666 V N -0.655 119.209 119.914 -0.083 0.000 2.358 666 V HA -0.315 3.813 4.120 0.013 0.000 0.246 666 V C 2.217 178.263 176.094 -0.081 0.000 1.047 666 V CA 2.467 64.717 62.300 -0.083 0.000 1.035 666 V CB -1.041 30.874 31.823 0.154 0.000 0.658 666 V HN 0.500 nan 8.190 nan 0.000 0.452 667 T N -1.357 113.188 114.554 -0.015 0.000 2.867 667 T HA -0.172 4.185 4.350 0.013 0.000 0.268 667 T C 2.062 176.743 174.700 -0.031 0.000 1.057 667 T CA 1.573 63.673 62.100 -0.000 0.000 1.136 667 T CB -0.272 68.609 68.868 0.022 0.000 0.874 667 T HN 0.434 nan 8.240 nan 0.000 0.466 668 S N 0.650 116.323 115.700 -0.046 0.000 2.402 668 S HA 0.048 4.526 4.470 0.013 0.000 0.229 668 S C 1.930 176.464 174.600 -0.110 0.000 1.021 668 S CA 0.560 58.744 58.200 -0.028 0.000 0.974 668 S CB -0.448 62.784 63.200 0.055 0.000 0.800 668 S HN 0.479 nan 8.310 nan 0.000 0.484 669 I N 1.370 121.755 120.570 -0.308 0.000 2.617 669 I HA -0.092 4.086 4.170 0.013 0.000 0.256 669 I C 2.417 178.329 176.117 -0.342 0.000 1.167 669 I CA 1.370 62.381 61.300 -0.481 0.000 1.469 669 I CB -0.611 36.776 38.000 -1.021 0.000 1.098 669 I HN 0.433 nan 8.210 nan 0.000 0.436 670 T N -1.238 113.203 114.554 -0.188 0.000 2.851 670 T HA -0.039 4.319 4.350 0.013 0.000 0.262 670 T C 1.701 176.419 174.700 0.031 0.000 1.043 670 T CA 0.856 62.940 62.100 -0.028 0.000 1.140 670 T CB -0.441 68.461 68.868 0.055 0.000 0.872 670 T HN 0.173 nan 8.240 nan 0.000 0.446 671 N N 1.834 120.562 118.700 0.048 0.000 2.061 671 N HA 0.004 4.752 4.740 0.013 0.000 0.193 671 N C 1.832 177.490 175.510 0.247 0.000 1.030 671 N CA 0.978 54.113 53.050 0.141 0.000 0.856 671 N CB -0.749 37.810 38.487 0.119 0.000 1.023 671 N HN 0.339 nan 8.380 nan 0.000 0.424 672 L N 0.692 122.022 121.223 0.178 0.000 2.083 672 L HA -0.086 4.261 4.340 0.013 0.000 0.209 672 L C 2.232 179.155 176.870 0.089 0.000 1.083 672 L CA 0.937 55.873 54.840 0.159 0.000 0.752 672 L CB -0.182 41.917 42.059 0.068 0.000 0.899 672 L HN 0.169 nan 8.230 nan 0.000 0.433 673 R N -0.448 120.087 120.500 0.059 0.000 2.200 673 R HA -0.205 4.143 4.340 0.013 0.000 0.234 673 R C 2.224 178.555 176.300 0.053 0.000 1.127 673 R CA 0.882 57.017 56.100 0.058 0.000 0.989 673 R CB -0.353 29.984 30.300 0.062 0.000 0.869 673 R HN 0.307 nan 8.270 nan 0.000 0.459 674 R N 0.329 120.866 120.500 0.062 0.000 2.127 674 R HA -0.173 4.175 4.340 0.013 0.000 0.238 674 R C 1.696 177.984 176.300 -0.020 0.000 1.134 674 R CA 1.706 57.836 56.100 0.051 0.000 0.975 674 R CB -0.159 30.215 30.300 0.124 0.000 0.865 674 R HN 0.239 nan 8.270 nan 0.000 0.447 675 c N -1.456 117.089 118.600 -0.093 0.000 2.961 675 c HA 0.177 4.755 4.570 0.013 0.000 0.287 675 c C 1.485 175.543 174.090 -0.053 0.000 1.310 675 c CA 0.199 56.422 56.329 -0.177 0.000 1.709 675 c CB -0.077 42.202 42.510 -0.386 0.000 2.163 675 c HN 0.486 nan 8.230 nan 0.000 0.517 676 S N -0.186 115.537 115.700 0.039 0.000 2.532 676 S HA 0.640 5.118 4.470 0.013 0.000 0.301 676 S C -0.645 173.997 174.600 0.069 0.000 1.083 676 S CA -0.248 57.995 58.200 0.071 0.000 1.025 676 S CB 1.428 64.715 63.200 0.146 0.000 1.056 676 S HN 0.456 nan 8.310 nan 0.000 0.494 677 S N 1.178 116.910 115.700 0.052 0.000 2.709 677 S HA 0.848 5.325 4.470 0.013 0.000 0.302 677 S C -1.116 173.512 174.600 0.046 0.000 1.127 677 S CA -0.561 57.672 58.200 0.055 0.000 0.905 677 S CB 1.454 64.682 63.200 0.047 0.000 1.151 677 S HN 1.036 nan 8.310 nan 0.000 0.510 678 S N 1.351 117.082 115.700 0.051 0.000 2.542 678 S HA 0.560 5.038 4.470 0.013 0.000 0.293 678 S C -2.199 172.422 174.600 0.034 0.000 1.089 678 S CA -1.235 56.991 58.200 0.043 0.000 0.961 678 S CB 1.625 64.865 63.200 0.065 0.000 1.062 678 S HN 0.554 nan 8.310 nan 0.000 0.483 679 P HA -0.147 nan 4.420 nan 0.000 0.217 679 P C 1.492 178.801 177.300 0.015 0.000 1.148 679 P CA 0.699 63.805 63.100 0.009 0.000 0.828 679 P CB 0.123 31.822 31.700 -0.003 0.000 0.783 680 L N -0.973 120.265 121.223 0.025 0.000 2.005 680 L HA -0.119 4.229 4.340 0.013 0.000 0.207 680 L C 2.509 179.394 176.870 0.025 0.000 1.072 680 L CA 1.244 56.099 54.840 0.025 0.000 0.744 680 L CB -1.024 41.054 42.059 0.032 0.000 0.895 680 L HN -0.050 nan 8.230 nan 0.000 0.433 681 L N 0.441 121.683 121.223 0.031 0.000 2.137 681 L HA -0.272 4.076 4.340 0.013 0.000 0.213 681 L C 2.379 179.262 176.870 0.021 0.000 1.085 681 L CA 1.782 56.631 54.840 0.015 0.000 0.760 681 L CB -0.633 41.454 42.059 0.046 0.000 0.893 681 L HN 0.303 nan 8.230 nan 0.000 0.434 682 E N -1.461 118.758 120.200 0.032 0.000 2.033 682 E HA -0.096 4.262 4.350 0.013 0.000 0.189 682 E C 2.189 178.826 176.600 0.062 0.000 0.979 682 E CA 0.852 57.276 56.400 0.039 0.000 0.802 682 E CB -0.225 29.488 29.700 0.022 0.000 0.763 682 E HN 0.533 nan 8.360 nan 0.000 0.449 683 A N 0.691 123.541 122.820 0.050 0.000 1.948 683 A HA -0.233 4.094 4.320 0.013 0.000 0.220 683 A C 2.305 179.971 177.584 0.136 0.000 1.177 683 A CA 1.371 53.455 52.037 0.079 0.000 0.636 683 A CB -0.863 18.164 19.000 0.045 0.000 0.815 683 A HN 0.387 nan 8.150 nan 0.000 0.449 684 c N -1.369 117.277 118.600 0.076 0.000 2.481 684 c HA 0.293 4.871 4.570 0.013 0.000 0.275 684 c C 3.107 177.224 174.090 0.045 0.000 1.419 684 c CA 0.247 56.606 56.329 0.050 0.000 1.773 684 c CB -1.228 41.282 42.510 -0.000 0.000 1.862 684 c HN 0.710 nan 8.230 nan 0.000 0.530 685 A N -0.176 122.685 122.820 0.068 0.000 1.930 685 A HA -0.046 4.282 4.320 0.013 0.000 0.215 685 A C 1.801 179.431 177.584 0.076 0.000 1.176 685 A CA 1.042 53.113 52.037 0.056 0.000 0.632 685 A CB -0.592 18.445 19.000 0.062 0.000 0.819 685 A HN 0.533 nan 8.150 nan 0.000 0.445 686 F N 0.654 120.601 119.950 -0.006 0.000 2.074 686 F HA -0.025 4.509 4.527 0.012 0.000 0.293 686 F C 1.805 177.604 175.800 -0.002 0.000 1.116 686 F CA 1.542 59.542 58.000 -0.001 0.000 1.212 686 F CB -0.370 38.632 39.000 0.003 0.000 0.998 686 F HN 0.100 nan 8.300 nan 0.000 0.471 687 L N 0.230 121.470 121.223 0.028 0.000 2.127 687 L HA -0.158 4.190 4.340 0.013 0.000 0.211 687 L C 1.293 178.068 176.870 -0.159 0.000 1.089 687 L CA 1.083 55.870 54.840 -0.089 0.000 0.757 687 L CB -0.486 41.623 42.059 0.083 0.000 0.899 687 L HN 0.069 nan 8.230 nan 0.000 0.434 688 R N -0.159 120.277 120.500 -0.105 0.000 2.935 688 R HA 0.467 4.815 4.340 0.013 0.000 0.354 688 R C -0.282 175.961 176.300 -0.096 0.000 1.206 688 R CA 0.019 56.066 56.100 -0.088 0.000 1.082 688 R CB 0.604 30.880 30.300 -0.040 0.000 1.431 688 R HN 0.124 nan 8.270 nan 0.000 0.582 689 A N 0.000 122.722 122.820 -0.163 0.000 2.254 689 A HA 0.000 4.328 4.320 0.013 0.000 0.244 689 A CA 0.000 51.951 52.037 -0.143 0.000 0.836 689 A CB 0.000 18.916 19.000 -0.140 0.000 0.831 689 A HN 0.000 nan 8.150 nan 0.000 0.486